A0A087X3U2_POEFO Loading...

Neuroligin 4 X-linked a

AlphaFold DB , UniProt , Accession A0A087X3U2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 824 aa.

						>A0A087X3U2_POEFO|A0A087X3U2
MSVLIGPSWMCCSKAKISLLLWMGLVSICVAAAQAQQHPVATTNYGKLRGVKVTLPNEILGPVEQYLGIPYALAPTEERRFQPPEPPMSWPGIRNATHFAPVCPQFLEDRFLLNDMLPVWFTANLDTVVSYVQEQSEDCLYLNIYVPTEDDIHDENGLKPVMVYIHGGSYVEGTGNMIDGSILASYGNVIVITINYRLGVLGFLSTGDQAAKGNYGLLDQIQALRWIKENIHAFKGDPKRVTIFGSGAGASCVSLLCLSHYSEDLFQKAIIQSGTALSSWAVNYQPAKYTRSLAEKVGCNMLDTIDLVECLQKKNYKELIEQYVTPAKYHIAFGPVIDGDVIPDDPQILMEQGEFLNYDIMLGVNQGEGFKFVDGIVDSEDGVSANDFDFAVSDFVDHLYGYPEGKDTLRETIKFMYTDWADKENPETRRKTLVALFTDHQWVAPAVATADLHAQYGSPTYFYAFYHHCQSDMKPSWADSAHGDEVPYVFGIPMIGPTDLFNCNFSKNDVMLSAVVMTYWTNFAKTGDPNQPVPQDTKFIHTKPNRFEEVAWTKYNPKDQLYLHIGLKPRVRDHYRATKVAFWLELVPHLHNINEFFQYVSTTTKIPPQDTTPYPYTKRFPGKNNWPSTTRHPGVPSANTKQTTDQRKSGDLTEESTVMIETKRDYSTELSVTIAVGASLLFLNILAFAALYYKKDKRRHESNRRVPTPQRNSAPANTSTTANDVAHMQSEELMSLQMKQQQLEHEHHHECESLQSHDTLRLTCPPDYTLTLRRSPDDIPLMTPSTITMIPNSLAGMQPLHNFNTFGGSQNSTNLPHGHSTTRV
					

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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	36.9	Very low	44.9	Very low	246 Å²	246	142.5 Å²	142.5	100%	1.212	80%	0.797	S	S	*	*				0	110.9	0	-99.8	166	111.3	0	0	108
2	S	43.2	Very low	45.5	Very low	125 Å²	125	137.2 Å²	137.2	87%	0.874	77%	0.774	S	S	*	*			trans	-73.1	135.4	174.5	-42.4	0	0	0	0	109.7
3	V	43.2	Very low	46.3	Very low	136 Å²	136	131.8 Å²	131.8	82%	0.824	75%	0.751	S	S	*	*			trans	-131.2	126	160.4	177.2	0	0	0	0	108.4
4	L	48.7	Very low	46.8	Very low	167 Å²	167	132.6 Å²	132.6	87%	0.874	74%	0.742	S	S	*	*			trans	-61.5	130.5	-177.6	-71.5	123.9	0	0	0	112.5
5	I	46.1	Very low	47.6	Very low	173 Å²	173	127.7 Å²	127.7	89%	0.887	73%	0.725	S	S	*	*			trans	-106.7	114.3	157.8	-60.3	176.4	0	0	0	106.4
6	G	42.7	Very low	48.6	Very low	51 Å²	51	129.1 Å²	129.1	53%	0.526	72%	0.72	S	S	.	*			trans	-77.5	177.6	-168.2	0	0	0	0	0	116.4	S8	G6-S8 VanDerWaalsContact C-N 3.25Å; G6-S8 PolarHBondContact O-N 3.02Å
7	P	49.3	Very low	50	Low	120 Å²	120	127.1 Å²	127.1	78%	0.779	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	9.9	-159.8	-6	23.2	0	0	0	116	W9	P7-W9 PolarHBondContact O-N 3.36Å
8	S	46.6	Very low	51.1	Low	83 Å²	83	124.3 Å²	124.3	58%	0.58	70%	0.697	S	S	*	*	H	α-helix	trans	-72.8	-26.6	-162.5	-169.7	0	0	0	0	114.6	G6 C12	G6-S8 VanDerWaalsContact C-N 3.25Å; G6-S8 PolarHBondContact O-N 3.02Å; S8-C12 PolarHBondContact O-N 3.45Å
9	W	44.8	Very low	52.4	Low	233 Å²	233	123.3 Å²	123.3	88%	0.883	69%	0.69	S	S	*	*	H	α-helix	trans	-81.8	-34.8	-175.9	-84	47.3	0	0	0	113.2	P7 C11 S13	P7-W9 PolarHBondContact O-N 3.36Å; W9-C11 VanDerWaalsContact C-N 3.34Å; W9-S13 PolarHBondContact O-N 2.93Å
10	M	44.3	Very low	53.6	Low	140 Å²	140	123 Å²	123	69%	0.69	69%	0.686	S	S	*	*	H	α-helix	trans	-69.6	-30.9	174.2	-89.5	164.4	73.9	0	0	112.3	K14	M10-K14 WeakPolarHBondContact O-CB 3.29Å; M10-K14 WeakPolarHBondContact O-CG 3.29Å; M10-K14 PolarHBondContact O-N 3.24Å; M10-K14 VanDerWaalsContact O-N 3.11Å
11	C	48.4	Very low	54.8	Low	94 Å²	94	122.4 Å²	122.4	64%	0.635	68%	0.681	S	S	*	*	H	α-helix	trans	-69.1	-42.8	176.3	-123.2	0	0	0	0	112.3	W9 A15	W9-C11 VanDerWaalsContact C-N 3.34Å; C11-A15 VanDerWaalsContact O-CB 3.28Å; C11-A15 WeakPolarHBondContact O-CB 3.38Å; C11-A15 PolarHBondContact O-N 3.11Å
12	C	52.2	Low	56.9	Low	78 Å²	78	118.7 Å²	118.7	53%	0.527	65%	0.653	S	S	.	*	H	α-helix	trans	-65.9	-36.6	176.4	-92.3	0	0	0	0	113.3	S8 K16	S8-C12 PolarHBondContact O-N 3.45Å; C12-K16 WeakPolarHBondContact O-CB 3.46Å; C12-K16 WeakPolarHBondContact O-CG 3.28Å; C12-K16 PolarHBondContact O-N 3.35Å
13	S	55	Low	58.5	Low	67 Å²	67	118.1 Å²	118.1	47%	0.469	64%	0.638	S	S	.	*	H	α-helix	trans	-71.1	-42.7	177.5	-173.8	0	0	0	0	111.9	W9 K16 I17	W9-S13 PolarHBondContact O-N 2.93Å; S13-K16 PolarHBondContact O-N 3.07Å; S13-I17 VanDerWaalsContact O-CG1 3.29Å; S13-I17 WeakPolarHBondContact O-CG1 3.49Å; S13-I17 PolarHBondContact O-N 2.89Å
14	K	54.5	Low	60.1	Low	144 Å²	144	113.1 Å²	113.1	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-64.7	-38.7	173.9	-73.7	-175.3	177.7	-172	0	112.7	M10 I17 S18	M10-K14 WeakPolarHBondContact O-CB 3.29Å; M10-K14 WeakPolarHBondContact O-CG 3.29Å; M10-K14 PolarHBondContact O-N 3.24Å; M10-K14 VanDerWaalsContact O-N 3.11Å; K14-I17 PolarHBondContact O-N 2.88Å; K14-S18 VanDerWaalsContact O-CB 3.29Å; K14-S18 WeakPolarHBondContact O-CB 3.25Å; K14-S18 PolarHBondContact O-N 3.44Å
15	A	58.9	Low	61.4	Low	59 Å²	59	110.1 Å²	110.1	49%	0.488	60%	0.599	S	S	.	*	H	α-helix	trans	-65.2	-40	175.5	0	0	0	0	0	112.3	C11 S18 L19	C11-A15 VanDerWaalsContact O-CB 3.28Å; C11-A15 WeakPolarHBondContact O-CB 3.38Å; C11-A15 PolarHBondContact O-N 3.11Å; A15-S18 PolarHBondContact O-N 3.46Å; A15-L19 VanDerWaalsContact O-CB 3.31Å; A15-L19 WeakPolarHBondContact O-CB 3.31Å; A15-L19 PolarHBondContact O-N 3Å
16	K	62.6	Low	62.8	Low	149 Å²	149	104.8 Å²	104.8	65%	0.648	57%	0.574	S	S	*	*	H	α-helix	trans	-66.4	-41.3	174.9	-77.4	-179.2	178.2	-174.1	0	112.8	C12 S13 L19 L20	C12-K16 WeakPolarHBondContact O-CB 3.46Å; C12-K16 WeakPolarHBondContact O-CG 3.28Å; C12-K16 PolarHBondContact O-N 3.35Å; S13-K16 PolarHBondContact O-N 3.07Å; K16-L19 PolarHBondContact O-N 3.49Å; K16-L20 WeakPolarHBondContact O-CB 3.39Å; K16-L20 WeakPolarHBondContact O-CG 3.35Å; K16-L20 PolarHBondContact O-N 2.96Å
17	I	71.9	Confident	64.1	Low	96 Å²	96	106.2 Å²	106.2	49%	0.492	58%	0.576	S	S	.	*	H	α-helix	trans	-66.1	-42.3	175.9	-67.1	164.2	0	0	0	110.4	S13 K14 L19 L20 L21	S13-I17 VanDerWaalsContact O-CG1 3.29Å; S13-I17 WeakPolarHBondContact O-CG1 3.49Å; S13-I17 PolarHBondContact O-N 2.89Å; K14-I17 PolarHBondContact O-N 2.88Å; I17-L19 PolarHBondContact O-N 2.91Å; I17-L20 PolarHBondContact O-N 2.91Å; I17-L21 HydrophobicContact CG2-CD1 3.86Å; I17-L21 WeakPolarHBondContact O-CB 3.45Å; I17-L21 WeakPolarHBondContact O-CG 3.32Å; I17-L21 PolarHBondContact O-N 3.41Å
18	S	71.4	Confident	65.3	Low	77 Å²	77	106 Å²	106	54%	0.538	57%	0.567	S	S	.	*	H	α-helix	trans	-64.5	-37.9	175.9	-165.8	0	0	0	0	112.4	K14 A15 W22	K14-S18 VanDerWaalsContact O-CB 3.29Å; K14-S18 WeakPolarHBondContact O-CB 3.25Å; K14-S18 PolarHBondContact O-N 3.44Å; A15-S18 PolarHBondContact O-N 3.46Å; S18-W22 VanDerWaalsContact O-CB 3.25Å; S18-W22 WeakPolarHBondContact O-CB 3.35Å; S18-W22 PolarHBondContact O-N 3.38Å
19	L	74.8	Confident	66.2	Low	105 Å²	105	106 Å²	106	55%	0.55	57%	0.566	S	S	.	*	H	α-helix	trans	-68.5	-41.1	176.1	-171.4	72.4	0	0	0	111.6	A15 K16 I17 W22 M23	A15-L19 VanDerWaalsContact O-CB 3.31Å; A15-L19 WeakPolarHBondContact O-CB 3.31Å; A15-L19 PolarHBondContact O-N 3Å; K16-L19 PolarHBondContact O-N 3.49Å; I17-L19 PolarHBondContact O-N 2.91Å; L19-W22 PolarHBondContact O-N 3.31Å; L19-M23 WeakPolarHBondContact O-CB 3.24Å; L19-M23 VanDerWaalsContact O-CG 3.27Å; L19-M23 WeakPolarHBondContact O-CG 3.45Å; L19-M23 PolarHBondContact O-N 2.87Å
20	L	77.3	Confident	67.3	Low	117 Å²	117	98.9 Å²	98.9	61%	0.613	55%	0.548	S	S	*	.	H	α-helix	trans	-66.4	-40.4	175.7	-75.4	165.5	0	0	0	112.1	K16 I17 G24	K16-L20 WeakPolarHBondContact O-CB 3.39Å; K16-L20 WeakPolarHBondContact O-CG 3.35Å; K16-L20 PolarHBondContact O-N 2.96Å; I17-L20 PolarHBondContact O-N 2.91Å; L20-G24 PolarHBondContact O-N 2.83Å
21	L	77.2	Confident	68	Low	111 Å²	111	95.1 Å²	95.1	58%	0.581	54%	0.539	S	S	*	.	H	α-helix	trans	-64.6	-41.6	173.3	-78	164.2	0	0	0	111.6	I17 G24 L25	I17-L21 HydrophobicContact CG2-CD1 3.86Å; I17-L21 WeakPolarHBondContact O-CB 3.45Å; I17-L21 WeakPolarHBondContact O-CG 3.32Å; I17-L21 PolarHBondContact O-N 3.41Å; L21-G24 PolarHBondContact O-N 2.86Å; L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 2.85Å
22	W	81.3	Confident	68.6	Low	168 Å²	168	93.3 Å²	93.3	64%	0.636	53%	0.531	S	S	*	.	H	α-helix	trans	-66.9	-43.3	176.9	-168.4	80.5	0	0	0	111.8	S18 L19 G24 L25 V26	S18-W22 VanDerWaalsContact O-CB 3.25Å; S18-W22 WeakPolarHBondContact O-CB 3.35Å; S18-W22 PolarHBondContact O-N 3.38Å; L19-W22 PolarHBondContact O-N 3.31Å; W22-G24 VanDerWaalsContact C-N 3.33Å; W22-G24 PolarHBondContact O-N 3.46Å; W22-L25 PolarHBondContact O-N 3.38Å; W22-V26 HydrophobicContact CD2-CG2 4.03Å; W22-V26 HydrophobicContact CE3-CG2 4.11Å; W22-V26 HydrophobicContact CH2-CG2 4.14Å; W22-V26 HydrophobicContact CZ2-CG2 4.05Å; W22-V26 HydrophobicContact CZ3-CG2 4.17Å; W22-V26 WeakPolarHBondContact O-CB 3.37Å; W22-V26 VanDerWaalsContact O-CG2 3.24Å; W22-V26 WeakPolarHBondContact O-CG2 3.4Å; W22-V26 PolarHBondContact O-N 3.37Å
23	M	77.6	Confident	69.1	Low	112 Å²	112	92.2 Å²	92.2	55%	0.552	53%	0.527	S	S	*	.	H	α-helix	trans	-63.7	-37.9	173.2	-70.3	-132.8	-65.1	0	0	112.3	L19 S27	L19-M23 WeakPolarHBondContact O-CB 3.24Å; L19-M23 VanDerWaalsContact O-CG 3.27Å; L19-M23 WeakPolarHBondContact O-CG 3.45Å; L19-M23 PolarHBondContact O-N 2.87Å; M23-S27 VanDerWaalsContact O-CB 3.3Å; M23-S27 WeakPolarHBondContact O-CB 3.28Å; M23-S27 PolarHBondContact O-N 2.91Å
24	G	76.6	Confident	69.4	Low	31 Å²	31	94.1 Å²	94.1	32%	0.32	53%	0.529	S	S	.	.	H	α-helix	trans	-63.3	-45.8	173.4	0	0	0	0	0	112.4	L20 L21 W22 S27 I28	L20-G24 PolarHBondContact O-N 2.83Å; L21-G24 PolarHBondContact O-N 2.86Å; W22-G24 VanDerWaalsContact C-N 3.33Å; W22-G24 PolarHBondContact O-N 3.46Å; G24-S27 PolarHBondContact O-N 2.88Å; G24-I28 WeakPolarHBondContact O-CD1 3.3Å; G24-I28 VanDerWaalsContact O-CG1 3.25Å; G24-I28 WeakPolarHBondContact O-CG1 3.46Å; G24-I28 PolarHBondContact O-N 3.27Å
25	L	76.9	Confident	69.8	Low	105 Å²	105	90.4 Å²	90.4	55%	0.55	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-45.5	175.5	-80	161.9	0	0	0	111.9	L21 W22 S27 I28 C29	L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 2.85Å; W22-L25 PolarHBondContact O-N 3.38Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 3.48Å; L25-I28 PolarHBondContact O-N 3.26Å; L25-C29 WeakPolarHBondContact O-CB 3.43Å; L25-C29 PolarHBondContact O-N 2.87Å; L25-C29 PolarHBondContact O-SG 3.41Å
26	V	75.3	Confident	70.3	Confident	61 Å²	61	94 Å²	94	37%	0.37	53%	0.531	S	S	.	.	H	α-helix	trans	-60.9	-42.7	175.7	171.1	0	0	0	0	110.6	W22 I28 C29 V30	W22-V26 HydrophobicContact CD2-CG2 4.03Å; W22-V26 HydrophobicContact CE3-CG2 4.11Å; W22-V26 HydrophobicContact CH2-CG2 4.14Å; W22-V26 HydrophobicContact CZ2-CG2 4.05Å; W22-V26 HydrophobicContact CZ3-CG2 4.17Å; W22-V26 WeakPolarHBondContact O-CB 3.37Å; W22-V26 VanDerWaalsContact O-CG2 3.24Å; W22-V26 WeakPolarHBondContact O-CG2 3.4Å; W22-V26 PolarHBondContact O-N 3.37Å; V26-I28 PolarHBondContact O-N 3.44Å; V26-C29 PolarHBondContact O-N 3.46Å; V26-V30 HydrophobicContact CG1-CG2 4.37Å; V26-V30 VanDerWaalsContact O-CG2 3.28Å; V26-V30 WeakPolarHBondContact O-CG2 3.25Å; V26-V30 PolarHBondContact O-N 3.3Å
27	S	70.1	Confident	71.3	Confident	81 Å²	81	92.1 Å²	92.1	57%	0.566	53%	0.525	S	S	*	.	H	α-helix	trans	-64.9	-38.7	177.8	-157	0	0	0	0	112.4	M23 G24 L25 A31	M23-S27 VanDerWaalsContact O-CB 3.3Å; M23-S27 WeakPolarHBondContact O-CB 3.28Å; M23-S27 PolarHBondContact O-N 2.91Å; G24-S27 PolarHBondContact O-N 2.88Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 3.48Å; S27-A31 WeakPolarHBondContact O-CB 3.32Å; S27-A31 PolarHBondContact O-N 3.29Å
28	I	73.9	Confident	72.2	Confident	115 Å²	115	90.2 Å²	90.2	59%	0.59	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-43.1	173.6	-67.8	163.5	0	0	0	111	G24 L25 V26 A31 A32	G24-I28 WeakPolarHBondContact O-CD1 3.3Å; G24-I28 VanDerWaalsContact O-CG1 3.25Å; G24-I28 WeakPolarHBondContact O-CG1 3.46Å; G24-I28 PolarHBondContact O-N 3.27Å; L25-I28 PolarHBondContact O-N 3.26Å; V26-I28 PolarHBondContact O-N 3.44Å; I28-A31 PolarHBondContact O-N 2.93Å; I28-A32 WeakPolarHBondContact O-CB 3.42Å; I28-A32 PolarHBondContact O-N 2.86Å
29	C	65.8	Low	73.3	Confident	83 Å²	83	87.2 Å²	87.2	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-63.9	-41.9	177.1	-70.9	0	0	0	0	112.1	L25 V26 A32 A33	L25-C29 WeakPolarHBondContact O-CB 3.43Å; L25-C29 PolarHBondContact O-N 2.87Å; L25-C29 PolarHBondContact O-SG 3.41Å; V26-C29 PolarHBondContact O-N 3.46Å; C29-A32 PolarHBondContact O-N 3.38Å; C29-A33 WeakPolarHBondContact O-CB 3.32Å; C29-A33 PolarHBondContact O-N 3.22Å
30	V	66.7	Low	74.3	Confident	84 Å²	84	85.7 Å²	85.7	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-65.5	-43.6	175.7	172.2	0	0	0	0	110.7	V26 A32 A33 Q34	V26-V30 HydrophobicContact CG1-CG2 4.37Å; V26-V30 VanDerWaalsContact O-CG2 3.28Å; V26-V30 WeakPolarHBondContact O-CG2 3.25Å; V26-V30 PolarHBondContact O-N 3.3Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 2.94Å; V30-A33 PolarHBondContact O-N 3.48Å; V30-Q34 WeakPolarHBondContact O-CB 3.45Å; V30-Q34 PolarHBondContact O-N 2.93Å
31	A	59.6	Low	75.3	Confident	60 Å²	60	80.3 Å²	80.3	50%	0.496	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-39	176.1	0	0	0	0	0	112.4	S27 I28 A35	S27-A31 WeakPolarHBondContact O-CB 3.32Å; S27-A31 PolarHBondContact O-N 3.29Å; I28-A31 PolarHBondContact O-N 2.93Å; A31-A35 VanDerWaalsContact O-CB 3.3Å; A31-A35 WeakPolarHBondContact O-CB 3.3Å; A31-A35 PolarHBondContact O-N 2.99Å
32	A	60.7	Low	76.3	Confident	56 Å²	56	79 Å²	79	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-66.5	-42.3	175.6	0	0	0	0	0	112.1	I28 C29 V30 A35 Q36	I28-A32 WeakPolarHBondContact O-CB 3.42Å; I28-A32 PolarHBondContact O-N 2.86Å; C29-A32 PolarHBondContact O-N 3.38Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 2.94Å; A32-A35 PolarHBondContact O-N 2.91Å; A32-Q36 WeakPolarHBondContact O-CB 3.4Å; A32-Q36 PolarHBondContact O-N 3.15Å
33	A	62.2	Low	77	Confident	55 Å²	55	71.5 Å²	71.5	46%	0.455	43%	0.429	S	S	.	.	H	α-helix	trans	-64.2	-42.5	175.4	0	0	0	0	0	111.9	C29 V30 A35 Q36 Q37	C29-A33 WeakPolarHBondContact O-CB 3.32Å; C29-A33 PolarHBondContact O-N 3.22Å; V30-A33 PolarHBondContact O-N 3.48Å; A33-A35 VanDerWaalsContact C-N 3.34Å; A33-A35 PolarHBondContact O-N 3.36Å; A33-Q36 PolarHBondContact O-N 2.94Å; A33-Q37 PolarHBondContact O-N 3.34Å; A33-Q37 VanDerWaalsContact O-N 3.15Å
34	Q	61.7	Low	78	Confident	108 Å²	108	71.2 Å²	71.2	51%	0.505	43%	0.43	S	S	.	.	H	α-helix	trans	-64.5	-38.7	176.2	-155.8	90.6	25.3	0	0	111.8	V30 Q36 Q37 H38	V30-Q34 WeakPolarHBondContact O-CB 3.45Å; V30-Q34 PolarHBondContact O-N 2.93Å; Q34-Q36 VanDerWaalsContact C-N 3.31Å; Q34-Q37 PolarHBondContact O-N 3.38Å; Q34-H38 PolarHBondContact O-N 3.14Å; Q34-H38 VanDerWaalsContact O-N 3.14Å
35	A	62.7	Low	79	Confident	66 Å²	66	71.2 Å²	71.2	55%	0.545	42%	0.421	S	S	.	.	H	α-helix	trans	-67.6	-31.2	175.5	0	0	0	0	0	112.5	A31 A32 A33	A31-A35 VanDerWaalsContact O-CB 3.3Å; A31-A35 WeakPolarHBondContact O-CB 3.3Å; A31-A35 PolarHBondContact O-N 2.99Å; A32-A35 PolarHBondContact O-N 2.91Å; A33-A35 VanDerWaalsContact C-N 3.34Å; A33-A35 PolarHBondContact O-N 3.36Å
36	Q	69.3	Low	80	Confident	133 Å²	133	67 Å²	67	62%	0.621	40%	0.403	S	S	*	.	H	α-helix	trans	-74.3	-26.5	176.4	-166.3	173.1	8.6	0	0	112.9	A32 A33 Q34	A32-Q36 WeakPolarHBondContact O-CB 3.4Å; A32-Q36 PolarHBondContact O-N 3.15Å; A33-Q36 PolarHBondContact O-N 2.94Å; Q34-Q36 VanDerWaalsContact C-N 3.31Å
37	Q	84	Confident	81.1	Confident	110 Å²	110	68.9 Å²	68.9	51%	0.514	41%	0.406	S	S	.	.	H	α-helix	trans	-86.3	-25.9	177.5	-168.4	166.9	15.3	0	0	113.2	A33 Q34 P39 K52	A33-Q37 PolarHBondContact O-N 3.34Å; A33-Q37 VanDerWaalsContact O-N 3.15Å; Q34-Q37 PolarHBondContact O-N 3.38Å; Q37-P39 WeakPolarHBondContact O-CD 3.4Å; Q37-K52 PolarHBondContact O-N 2.91Å
38	H	91	Very high	82.4	Confident	57 Å²	57	65 Å²	65	26%	0.264	38%	0.379	S	S	.	.	S	Bend	trans	-122.2	79.4	-178.2	-70.6	-65.2	0	0	0	111.5	Q34 R49 G50	Q34-H38 PolarHBondContact O-N 3.14Å; Q34-H38 VanDerWaalsContact O-N 3.14Å; H38-R49 HydrophobicContact CB-CG 3.87Å; H38-G50 PolarHBondContact ND1-O 2.73Å
39	P	94.5	Very high	83.6	Confident	14 Å²	14	63.6 Å²	63.6	9%	0.091	37%	0.366	C	S	.	.			trans	-64.5	146.5	-178.1	29.9	-37.4	0	0	0	111	Q37 R49 G50 E64 Y66	Q37-P39 WeakPolarHBondContact O-CD 3.4Å; P39-R49 CarbonylContact O-C 3.6Å; P39-R49 WeakPolarHBondContact O-CA 3.1Å; P39-G50 PolarHBondContact O-N 3.07Å; P39-E64 HydrophobicContact CB-CG 4.35Å; P39-E64 HydrophobicContact CG-CB 3.98Å; P39-E64 HydrophobicContact CG-CG 3.87Å; P39-Y66 WeakPolarHBondContact CB-OH 3.3Å
40	V	96.9	Very high	85.1	Confident	72 Å²	72	59.7 Å²	59.7	44%	0.436	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.9	-179.7	178.8	0	0	0	0	110.2	K47 L48 R49	V40-K47 HydrophobicContact CG1-CB 4.13Å; V40-L48 CarbonylContact C-O 3.58Å; V40-L48 WeakPolarHBondContact CA-O 3.39Å; V40-R49 HydrophobicContact CG2-CB 4.38Å
41	A	96.6	Very high	86.6	Confident	5 Å²	5	57.1 Å²	57.1	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.9	173.1	0	0	0	0	0	110.1	K47 L48 Y66 F234	A41-K47 CarbonylContact O-C 3.52Å; A41-K47 WeakPolarHBondContact O-CA 3.48Å; A41-L48 PolarHBondContact N-O 3.06Å; A41-L48 PolarHBondContact O-N 3.38Å; A41-Y66 HydrophobicContact CB-CE1 3.94Å; A41-F234 HydrophobicContact CB-CD1 3.8Å; A41-F234 HydrophobicContact CB-CE1 3.36Å; A41-F234 HydrophobicContact CB-CE2 4.38Å; A41-F234 HydrophobicContact CB-CG 4.48Å; A41-F234 HydrophobicContact CB-CZ 3.7Å
42	T	97.9	Very high	88.3	Confident	84 Å²	84	57.1 Å²	57.1	52%	0.515	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.1	177.2	-56.2	0	0	0	0	109.1	K47 A233	T42-K47 HydrophobicContact CG2-CG 4.23Å; T42-A233 WeakPolarHBondContact O-CB 3.49Å
43	T	97.9	Very high	89.9	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	30%	0.304	C	S	.	.			trans	-93.7	174.9	176.6	75.3	0	0	0	0	110.2	Y45 G46 L48 W226 N230 F234	T43-Y45 PolarHBondContact O-N 3.32Å; T43-Y45 PolarHBondContact OG1-N 3Å; T43-G46 PolarHBondContact N-O 2.94Å; T43-G46 PolarHBondContact O-N 2.73Å; T43-G46 PolarHBondContact OG1-N 2.68Å; T43-G46 PolarHBondContact OG1-O 3.49Å; T43-L48 HydrophobicContact CG2-CD1 3.56Å; T43-L48 HydrophobicContact CG2-CG 4.31Å; T43-W226 HydrophobicContact CG2-CH2 4.37Å; T43-W226 HydrophobicContact CG2-CZ2 4.08Å; T43-N230 WeakPolarHBondContact CB-OD1 3.38Å; T43-F234 HydrophobicContact CG2-CE2 3.96Å; T43-F234 HydrophobicContact CG2-CZ 4.04Å
44	N	97.7	Very high	91.5	Very high	107 Å²	107	59.2 Å²	59.2	57%	0.572	31%	0.314	S	S	*	.	S	Bend	trans	-63.1	-21.3	174.6	-64	-19.3	0	0	0	112.6	E229 N230	N44-E229 PolarHBondContact ND2-O 2.83Å; N44-N230 WeakPolarHBondContact CB-OD1 3.36Å; N44-N230 PolarHBondContact N-OD1 3.18Å
45	Y	97.6	Very high	93	Very high	31 Å²	31	54.8 Å²	54.8	12%	0.122	29%	0.294	C	S	.	.	S	Bend	trans	-99.5	-17.1	-176.9	-58.5	-80.8	0	0	0	113.7	T43 P87 S89 W90 W226	T43-Y45 PolarHBondContact O-N 3.32Å; T43-Y45 PolarHBondContact OG1-N 3Å; Y45-P87 HydrophobicContact CD1-CG 3.84Å; Y45-P87 WeakPolarHBondContact CD1-O 3.44Å; Y45-P87 HydrophobicContact CD2-CG 3.99Å; Y45-P87 HydrophobicContact CE1-CG 3.73Å; Y45-P87 WeakPolarHBondContact CE1-O 3.31Å; Y45-P87 HydrophobicContact CE2-CG 3.86Å; Y45-P87 HydrophobicContact CG-CG 3.98Å; Y45-S89 CarbonylContact O-C 3.52Å; Y45-S89 WeakPolarHBondContact O-CA 3.34Å; Y45-S89 VanDerWaalsContact O-CB 3.31Å; Y45-S89 WeakPolarHBondContact O-CB 3.14Å; Y45-W90 PolarHBondContact O-N 2.91Å; Y45-W226 AromaticContact CD2-NE1 3.61Å; Y45-W226 AromaticContact CE2-CD1 3.54Å; Y45-W226 AromaticContact CE2-NE1 3.62Å
46	G	97.3	Very high	94.2	Very high	16 Å²	16	56.8 Å²	56.8	17%	0.165	30%	0.302	C	S	.	.			trans	153.8	-174.7	179.7	0	0	0	0	0	113.5	T43	T43-G46 PolarHBondContact N-O 2.94Å; T43-G46 PolarHBondContact O-N 2.73Å; T43-G46 PolarHBondContact OG1-N 2.68Å; T43-G46 PolarHBondContact OG1-O 3.49Å
47	K	98.4	Very high	95	Very high	100 Å²	100	52 Å²	52	44%	0.435	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.1	178.4	-61.4	-178.2	-179.3	-178.2	0	110.9	V40 A41 T42 W90 I93 R94	V40-K47 HydrophobicContact CG1-CB 4.13Å; A41-K47 CarbonylContact O-C 3.52Å; A41-K47 WeakPolarHBondContact O-CA 3.48Å; T42-K47 HydrophobicContact CG2-CG 4.23Å; K47-W90 PolarHBondContact O-NE1 3.24Å; K47-I93 HydrophobicContact CB-CB 4.35Å; K47-I93 HydrophobicContact CB-CG1 3.89Å; K47-I93 HydrophobicContact CB-CG2 4.41Å; K47-I93 HydrophobicContact CD-CG1 4.13Å; K47-R94 PolarHBondContact O-N 3.25Å
48	L	98.3	Very high	94.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.1	176.5	-68	168.3	0	0	0	109.7	V40 A41 T43 Y66 I69 W90 R94 A96 F234	V40-L48 CarbonylContact C-O 3.58Å; V40-L48 WeakPolarHBondContact CA-O 3.39Å; A41-L48 PolarHBondContact N-O 3.06Å; A41-L48 PolarHBondContact O-N 3.38Å; T43-L48 HydrophobicContact CG2-CD1 3.56Å; T43-L48 HydrophobicContact CG2-CG 4.31Å; L48-Y66 HydrophobicContact CB-CD1 4.24Å; L48-I69 HydrophobicContact CD1-CD1 4.03Å; L48-I69 HydrophobicContact CD1-CG1 4.12Å; L48-I69 HydrophobicContact CD1-CG2 3.66Å; L48-I69 HydrophobicContact CD2-CG2 4.45Å; L48-W90 HydrophobicContact CD1-CZ2 4.49Å; L48-W90 HydrophobicContact CD2-CH2 4.15Å; L48-W90 HydrophobicContact CD2-CZ2 3.49Å; L48-W90 VanDerWaalsContact CD2-CZ2 3.49Å; L48-W90 HydrophobicContact CG-CZ2 3.87Å; L48-R94 CarbonylContact C-O 3.54Å; L48-R94 WeakPolarHBondContact CA-O 3.46Å; L48-R94 HydrophobicContact CD2-CB 4.13Å; L48-R94 HydrophobicContact CD2-CG 4.3Å; L48-A96 HydrophobicContact CD2-CB 4.21Å; L48-F234 HydrophobicContact CD1-CZ 4.05Å
49	R	98.2	Very high	94.8	Very high	86 Å²	86	58.1 Å²	58.1	33%	0.325	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.2	170.9	178.4	-174.6	-66	142.7	-7	109.6	H38 P39 V40 I93 R94 N95 A96	H38-R49 HydrophobicContact CB-CG 3.87Å; P39-R49 CarbonylContact O-C 3.6Å; P39-R49 WeakPolarHBondContact O-CA 3.1Å; V40-R49 HydrophobicContact CG2-CB 4.38Å; R49-I93 HydrophobicContact CB-CG2 3.67Å; R49-R94 PolarHBondContact N-O 2.97Å; R49-N95 WeakPolarHBondContact CD-OD1 3.21Å; R49-N95 PolarHBondContact NH1-OD1 2.94Å; R49-A96 CarbonylContact O-C 3.58Å; R49-A96 PolarHBondContact O-N 2.98Å
50	G	97.8	Very high	94.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.311	C	S	.	.			trans	-93.4	-164.7	173.2	0	0	0	0	0	112.8	H38 P39 Q65	H38-G50 PolarHBondContact ND1-O 2.73Å; P39-G50 PolarHBondContact O-N 3.07Å; G50-Q65 CarbonylContact C-O 3.56Å; G50-Q65 WeakPolarHBondContact CA-O 3.46Å
51	V	97.2	Very high	94.4	Very high	30 Å²	30	55.1 Å²	55.1	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.1	175.2	59.8	0	0	0	0	110	V53 Q65 T97	V51-V53 HydrophobicContact CG1-CG2 4.16Å; V51-V53 HydrophobicContact CG2-CG2 4.43Å; V51-Q65 HydrophobicContact CG1-CB 4.07Å; V51-Q65 PolarHBondContact N-O 3.1Å; V51-Q65 PolarHBondContact O-N 2.71Å; V51-T97 HydrophobicContact CB-CG2 4.21Å
52	K	96.3	Very high	94.3	Very high	60 Å²	60	56.5 Å²	56.5	26%	0.261	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.5	172.5	-174.2	173.2	179.7	167.2	0	109.9	Q37 P62	Q37-K52 PolarHBondContact O-N 2.91Å; K52-P62 VanDerWaalsContact CE-CG 3.42Å; K52-P62 HydrophobicContact CG-CB 4.34Å
53	V	95.2	Very high	94.3	Very high	45 Å²	45	52.5 Å²	52.5	27%	0.273	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.4	-178.5	-179	0	0	0	0	109.5	V51 P62 V63 Q65	V51-V53 HydrophobicContact CG1-CG2 4.16Å; V51-V53 HydrophobicContact CG2-CG2 4.43Å; V53-P62 CarbonylContact O-C 3.54Å; V53-P62 VanDerWaalsContact O-CA 3.31Å; V53-P62 WeakPolarHBondContact O-CA 3.29Å; V53-P62 VanDerWaalsContact O-CB 3.29Å; V53-P62 WeakPolarHBondContact O-CB 3.42Å; V53-V63 PolarHBondContact N-O 2.82Å; V53-V63 PolarHBondContact O-N 2.93Å; V53-Q65 HydrophobicContact CG2-CG 4.14Å
54	T	94	Very high	94.3	Very high	111 Å²	111	54.4 Å²	54.4	68%	0.681	29%	0.285	S	S	*	.			trans	-93.5	132.8	173.2	-54.2	0	0	0	0	108.6
55	L	93.7	Very high	94.4	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.079	26%	0.263	C	S	.	.			trans	-80.1	149.6	-178.4	-65.3	176.3	0	0	0	111	N57 L60 V63	L55-N57 PolarHBondContact O-N 2.85Å; L55-L60 HydrophobicContact CB-CB 4.28Å; L55-L60 HydrophobicContact CD1-CB 3.82Å; L55-L60 HydrophobicContact CD1-CD1 4.02Å; L55-V63 HydrophobicContact CD1-CG2 4.19Å
56	P	88.6	Confident	94.4	Very high	108 Å²	108	49.2 Å²	49.2	70%	0.701	26%	0.259	S	S	*	.	S	Bend	trans	-61.4	-23.5	178.9	-24.2	34	0	0	0	114.1	I495	P56-I495 HydrophobicContact CB-CG2 4.41Å; P56-I495 HydrophobicContact CG-CG2 4.17Å
57	N	85.2	Confident	94.5	Very high	32 Å²	32	49 Å²	49	17%	0.171	25%	0.253	C	S	.	.	S	Bend	trans	-86.3	118.6	-179.5	-169.7	-49.1	0	0	0	110.5	L55 I59 L60 M494	L55-N57 PolarHBondContact O-N 2.85Å; N57-I59 PolarHBondContact O-N 2.84Å; N57-I59 VanDerWaalsContact O-N 3.11Å; N57-I59 WeakPolarHBondContact OD1-CB 3.39Å; N57-I59 PolarHBondContact OD1-N 3.11Å; N57-L60 HydrophobicContact CB-CB 4.36Å; N57-L60 HydrophobicContact CB-CD1 3.93Å; N57-L60 HydrophobicContact CB-CG 4.05Å; N57-L60 PolarHBondContact O-N 3.03Å; N57-M494 PolarHBondContact ND2-O 2.91Å
58	E	83.6	Confident	94.5	Very high	199 Å²	199	44.5 Å²	44.5	93%	0.93	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-19.9	-176.4	-61.4	-176.9	172.1	0	0	114.5
59	I	87	Confident	94.5	Very high	97 Å²	97	44.5 Å²	44.5	50%	0.497	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-26.5	179.2	-56	170.3	0	0	0	110.9	N57 F539 I540	N57-I59 PolarHBondContact O-N 2.84Å; N57-I59 VanDerWaalsContact O-N 3.11Å; N57-I59 WeakPolarHBondContact OD1-CB 3.39Å; N57-I59 PolarHBondContact OD1-N 3.11Å; I59-F539 HydrophobicContact CD1-CB 4.31Å; I59-I540 HydrophobicContact CB-CD1 3.87Å; I59-I540 HydrophobicContact CD1-CB 4.4Å; I59-I540 HydrophobicContact CD1-CD1 4.02Å; I59-I540 HydrophobicContact CG2-CB 4.34Å; I59-I540 HydrophobicContact CG2-CD1 3.9Å
60	L	92.1	Very high	94.5	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.084	22%	0.223	C	C	.	.	S	Bend	trans	-87.6	129	-175.9	-63.3	179.2	0	0	0	110.8	L55 N57 I182 Y186 M494 I540	L55-L60 HydrophobicContact CB-CB 4.28Å; L55-L60 HydrophobicContact CD1-CB 3.82Å; L55-L60 HydrophobicContact CD1-CD1 4.02Å; N57-L60 HydrophobicContact CB-CB 4.36Å; N57-L60 HydrophobicContact CB-CD1 3.93Å; N57-L60 HydrophobicContact CB-CG 4.05Å; N57-L60 PolarHBondContact O-N 3.03Å; L60-I182 HydrophobicContact CD1-CG1 4.46Å; L60-I182 HydrophobicContact CD1-CG2 3.82Å; L60-Y186 HydrophobicContact CD2-CD2 4.34Å; L60-M494 HydrophobicContact CD1-SD 4.34Å; L60-I540 HydrophobicContact CD2-CD1 4.1Å; L60-I540 HydrophobicContact CG-CD1 4.3Å
61	G	92.4	Very high	94.6	Very high	7 Å²	7	40.9 Å²	40.9	7%	0.072	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.5	157.4	173.9	0	0	0	0	0	112.7	S185	G61-S185 PolarHBondContact N-OG 3.18Å; G61-S185 VanDerWaalsContact N-OG 3.1Å; G61-S185 PolarHBondContact O-OG 2.81Å
62	P	95	Very high	94.6	Very high	33 Å²	33	39.7 Å²	39.7	21%	0.214	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.4	160	177.2	26	-28.9	0	0	0	112.1	K52 V53 T148	K52-P62 VanDerWaalsContact CE-CG 3.42Å; K52-P62 HydrophobicContact CG-CB 4.34Å; V53-P62 CarbonylContact O-C 3.54Å; V53-P62 VanDerWaalsContact O-CA 3.31Å; V53-P62 WeakPolarHBondContact O-CA 3.29Å; V53-P62 VanDerWaalsContact O-CB 3.29Å; V53-P62 WeakPolarHBondContact O-CB 3.42Å; P62-T148 WeakPolarHBondContact CG-OG1 3.47Å; P62-T148 WeakPolarHBondContact O-CB 3.49Å; P62-T148 WeakPolarHBondContact O-CG2 3.25Å; P62-T148 PolarHBondContact O-N 2.82Å; P62-T148 PolarHBondContact O-OG1 2.84Å
63	V	97.3	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.2	-176.1	177.2	0	0	0	0	109.7	V53 L55 Q65 V146 S181	V53-V63 PolarHBondContact N-O 2.82Å; V53-V63 PolarHBondContact O-N 2.93Å; L55-V63 HydrophobicContact CD1-CG2 4.19Å; V63-Q65 HydrophobicContact CG1-CG 4.41Å; V63-V146 CarbonylContact C-O 3.57Å; V63-V146 WeakPolarHBondContact CA-O 3.45Å; V63-V146 WeakPolarHBondContact CG1-O 3.31Å; V63-S181 WeakPolarHBondContact CG2-O 3.29Å
64	E	98	Very high	94.9	Very high	49 Å²	49	37.2 Å²	37.2	23%	0.229	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.8	168.1	-57.4	-178.4	169.8	0	0	109.1	P39 Y66 V146 T148	P39-E64 HydrophobicContact CB-CG 4.35Å; P39-E64 HydrophobicContact CG-CB 3.98Å; P39-E64 HydrophobicContact CG-CG 3.87Å; E64-Y66 HydrophobicContact CB-CE2 4.01Å; E64-V146 HydrophobicContact CB-CB 4.26Å; E64-V146 PolarHBondContact N-O 3.08Å; E64-V146 PolarHBondContact O-N 3.31Å; E64-T148 HydrophobicContact CG-CG2 3.77Å
65	Q	98.6	Very high	95	Very high	23 Å²	23	32.2 Å²	32.2	11%	0.107	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.5	178.5	-64.2	-178.2	-7.6	0	0	110	G50 V51 V53 V63 L67 I144 Y145 S181	G50-Q65 CarbonylContact C-O 3.56Å; G50-Q65 WeakPolarHBondContact CA-O 3.46Å; V51-Q65 HydrophobicContact CG1-CB 4.07Å; V51-Q65 PolarHBondContact N-O 3.1Å; V51-Q65 PolarHBondContact O-N 2.71Å; V53-Q65 HydrophobicContact CG2-CG 4.14Å; V63-Q65 HydrophobicContact CG1-CG 4.41Å; Q65-L67 HydrophobicContact CB-CD2 4.11Å; Q65-L67 HydrophobicContact CB-CG 4.21Å; Q65-I144 WeakPolarHBondContact CA-O 3.31Å; Q65-Y145 HydrophobicContact CG-CD1 3.85Å; Q65-Y145 HydrophobicContact CG-CE1 4.09Å; Q65-S181 PolarHBondContact NE2-OG 2.9Å
66	Y	98.8	Very high	95.2	Very high	7 Å²	7	33 Å²	33	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	100.1	169.7	-61.2	-97.7	0	0	0	107.9	P39 A41 L48 E64 I69 A96 N143 I144 V146 F234	P39-Y66 WeakPolarHBondContact CB-OH 3.3Å; A41-Y66 HydrophobicContact CB-CE1 3.94Å; L48-Y66 HydrophobicContact CB-CD1 4.24Å; E64-Y66 HydrophobicContact CB-CE2 4.01Å; Y66-I69 VanDerWaalsContact CB-CD1 3.5Å; Y66-A96 CarbonylContact C-O 3.51Å; Y66-A96 VanDerWaalsContact CA-O 3.32Å; Y66-A96 WeakPolarHBondContact CA-O 3.33Å; Y66-N143 CarbonylContact O-C 3.1Å; Y66-N143 WeakPolarHBondContact O-CA 3.35Å; Y66-I144 PolarHBondContact N-O 3.17Å; Y66-I144 PolarHBondContact O-N 2.97Å; Y66-V146 HydrophobicContact CD2-CG2 4.42Å; Y66-V146 HydrophobicContact CE2-CG2 4.31Å; Y66-F234 AromaticContact CD1-CE1 3.82Å; Y66-F234 HydrophobicContact CD1-CE1 3.82Å; Y66-F234 AromaticContact CD2-CD1 3.84Å; Y66-F234 HydrophobicContact CD2-CD1 3.84Å; Y66-F234 AromaticContact CD2-CE1 3.67Å; Y66-F234 HydrophobicContact CD2-CE1 3.67Å; Y66-F234 AromaticContact CE1-CE1 3.89Å; Y66-F234 HydrophobicContact CE1-CE1 3.89Å; Y66-F234 AromaticContact CE2-CD1 3.69Å; Y66-F234 HydrophobicContact CE2-CD1 3.69Å; Y66-F234 AromaticContact CE2-CE1 3.76Å; Y66-F234 HydrophobicContact CE2-CE1 3.76Å; Y66-F234 HydrophobicContact CG-CD1 4.34Å; Y66-F234 AromaticContact CG-CE1 3.7Å; Y66-F234 HydrophobicContact CG-CE1 3.7Å; Y66-F234 AromaticContact CZ-CE1 3.85Å
67	L	98.8	Very high	95.4	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.6	-171.3	-50.7	-178.4	0	0	0	110.6	Q65 A96 H98 F99 N143 Y145	Q65-L67 HydrophobicContact CB-CD2 4.11Å; Q65-L67 HydrophobicContact CB-CG 4.21Å; L67-A96 PolarHBondContact N-O 2.94Å; L67-A96 CarbonylContact O-C 3.53Å; L67-A96 WeakPolarHBondContact O-CA 3.32Å; L67-A96 WeakPolarHBondContact O-CB 3.17Å; L67-H98 CarbonylContact C-O 3.53Å; L67-H98 VanDerWaalsContact C-O 3.3Å; L67-H98 WeakPolarHBondContact CB-O 3.48Å; L67-F99 HydrophobicContact CB-CD1 4.15Å; L67-F99 HydrophobicContact CB-CE1 4.42Å; L67-F99 HydrophobicContact CD1-CD1 4.32Å; L67-F99 HydrophobicContact CD1-CE1 4.09Å; L67-F99 HydrophobicContact CD1-CE2 4.46Å; L67-F99 HydrophobicContact CD1-CZ 4.16Å; L67-F99 HydrophobicContact CD2-CD1 4.38Å; L67-F99 HydrophobicContact CD2-CE1 3.81Å; L67-F99 HydrophobicContact CD2-CZ 4.36Å; L67-F99 HydrophobicContact CG-CE1 4.32Å; L67-N143 WeakPolarHBondContact CA-OD1 3.09Å; L67-N143 HydrophobicContact CD2-CB 3.86Å; L67-Y145 HydrophobicContact CD2-CE1 4.32Å
68	G	98.4	Very high	96	Very high	6 Å²	6	39.6 Å²	39.6	6%	0.062	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	42.6	176.9	0	0	0	0	0	113.9	Y141 N143	G68-Y141 VanDerWaalsContact O-CD1 3.28Å; G68-Y141 WeakPolarHBondContact O-CD1 3.38Å; G68-N143 PolarHBondContact N-OD1 3.34Å
69	I	98.8	Very high	96.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.9	177.9	-53.2	172.8	0	0	0	109.6	L48 Y66 Y71 A96 Y141 L142 I144 W226 F234	L48-I69 HydrophobicContact CD1-CD1 4.03Å; L48-I69 HydrophobicContact CD1-CG1 4.12Å; L48-I69 HydrophobicContact CD1-CG2 3.66Å; L48-I69 HydrophobicContact CD2-CG2 4.45Å; Y66-I69 VanDerWaalsContact CB-CD1 3.5Å; I69-Y71 PolarHBondContact O-N 2.9Å; I69-A96 HydrophobicContact CG1-CB 4.11Å; I69-Y141 CarbonylContact O-C 3.53Å; I69-Y141 VanDerWaalsContact O-CA 3.26Å; I69-Y141 WeakPolarHBondContact O-CA 3.48Å; I69-L142 HydrophobicContact CB-CD1 3.91Å; I69-L142 HydrophobicContact CB-CG 4.4Å; I69-L142 WeakPolarHBondContact CB-O 3.49Å; I69-L142 HydrophobicContact CD1-CD1 3.94Å; I69-L142 HydrophobicContact CG1-CD1 4.41Å; I69-L142 HydrophobicContact CG2-CD1 4.4Å; I69-L142 PolarHBondContact N-O 3.17Å; I69-L142 PolarHBondContact O-N 3.18Å; I69-I144 HydrophobicContact CD1-CB 4.41Å; I69-I144 HydrophobicContact CD1-CD1 3.53Å; I69-I144 HydrophobicContact CD1-CG1 3.72Å; I69-W226 HydrophobicContact CD1-CH2 4.44Å; I69-W226 HydrophobicContact CG2-CH2 3.92Å; I69-W226 HydrophobicContact CG2-CZ2 3.58Å; I69-F234 HydrophobicContact CD1-CZ 4.44Å
70	P	98.6	Very high	97.2	Very high	10 Å²	10	29.9 Å²	29.9	7%	0.065	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.6	178.2	27.7	-32.8	0	0	0	110.1	W90 Y141	P70-W90 HydrophobicContact CG-CH2 4.14Å; P70-W90 HydrophobicContact CG-CZ3 3.81Å; P70-Y141 HydrophobicContact CB-CD1 4.01Å; P70-Y141 HydrophobicContact CB-CE1 3.71Å; P70-Y141 HydrophobicContact CG-CE1 4.31Å
71	Y	98.8	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.			trans	-106.1	-6.4	176.7	72	-101.7	0	0	0	113.1	I69 P87 L140 L142 N195 D219 Q222 A223	I69-Y71 PolarHBondContact O-N 2.9Å; Y71-P87 VanDerWaalsContact O-CD 3.29Å; Y71-P87 WeakPolarHBondContact O-CD 3.35Å; Y71-L140 WeakPolarHBondContact CD1-O 3.38Å; Y71-L140 HydrophobicContact CE1-CB 4.07Å; Y71-L140 HydrophobicContact CE2-CB 4.21Å; Y71-L140 PolarHBondContact N-O 2.99Å; Y71-L140 WeakPolarHBondContact OH-CD2 3.26Å; Y71-L142 HydrophobicContact CD1-CB 4.07Å; Y71-L142 HydrophobicContact CD1-CD2 3.99Å; Y71-L142 HydrophobicContact CD1-CG 4.1Å; Y71-L142 HydrophobicContact CG-CD2 4.08Å; Y71-N195 WeakPolarHBondContact CE1-O 3.29Å; Y71-N195 PolarHBondContact OH-O 2.83Å; Y71-D219 WeakPolarHBondContact CE2-O 3.48Å; Y71-D219 WeakPolarHBondContact OH-CB 3.38Å; Y71-D219 PolarHBondContact OH-O 2.94Å; Y71-Q222 HydrophobicContact CD2-CB 4.44Å; Y71-Q222 HydrophobicContact CD2-CG 4.14Å; Y71-Q222 HydrophobicContact CE2-CB 4.34Å; Y71-Q222 HydrophobicContact CE2-CG 4.39Å; Y71-Q222 PolarHBondContact O-NE2 2.76Å; Y71-A223 HydrophobicContact CD1-CB 4.17Å; Y71-A223 HydrophobicContact CD2-CB 3.75Å; Y71-A223 HydrophobicContact CE1-CB 4.18Å; Y71-A223 HydrophobicContact CE2-CB 3.81Å; Y71-A223 HydrophobicContact CG-CB 3.96Å
72	A	98.7	Very high	97.8	Very high	5 Å²	5	32.8 Å²	32.8	4%	0.041	16%	0.162	C	C	.	.	S	Bend	trans	-150	167.5	176.5	0	0	0	0	0	110.5	P84 E85 L140 Q222	A72-P84 HydrophobicContact CB-CB 4.03Å; A72-E85 CarbonylContact C-O 3.51Å; A72-E85 WeakPolarHBondContact CA-O 3.33Å; A72-E85 WeakPolarHBondContact CB-O 3.45Å; A72-L140 HydrophobicContact CB-CB 3.96Å; A72-L140 HydrophobicContact CB-CD1 3.61Å; A72-L140 HydrophobicContact CB-CG 4.45Å; A72-Q222 HydrophobicContact CB-CG 4.02Å
73	L	98.1	Very high	98	Very high	35 Å²	35	34.4 Å²	34.4	18%	0.183	17%	0.173	C	C	.	.			trans	-70.3	149.8	168	-78	168.6	0	0	0	111.3	P75 E85 P86 M88	L73-P75 WeakPolarHBondContact O-CD 3.26Å; L73-E85 HydrophobicContact CB-CB 4.38Å; L73-E85 HydrophobicContact CD1-CB 3.96Å; L73-E85 PolarHBondContact N-O 2.95Å; L73-P86 WeakPolarHBondContact CD1-O 3.4Å; L73-P86 WeakPolarHBondContact CG-O 3.42Å; L73-M88 HydrophobicContact CD2-CB 4.3Å; L73-M88 HydrophobicContact CD2-CE 3.96Å; L73-M88 HydrophobicContact CD2-CG 3.77Å; L73-M88 HydrophobicContact CD2-SD 4.45Å
74	A	97.9	Very high	98	Very high	19 Å²	19	35.2 Å²	35.2	16%	0.157	18%	0.178	C	C	.	.			trans	-55.7	121.8	175.2	0	0	0	0	0	110.6	T76 R79 D138	A74-T76 HydrophobicContact CB-CG2 4.13Å; A74-T76 PolarHBondContact O-N 3.37Å; A74-R79 PolarHBondContact O-NE 3.46Å; A74-R79 PolarHBondContact O-NH2 3.28Å; A74-R79 VanDerWaalsContact O-NH2 3.13Å; A74-D138 HydrophobicContact CB-CB 3.73Å
75	P	97.8	Very high	98	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.032	19%	0.189	C	C	.	.			trans	-81.3	48.7	-177.1	35.2	-38.3	0	0	0	111.8	L73 R80 E137 L140 R197	L73-P75 WeakPolarHBondContact O-CD 3.26Å; P75-R80 WeakPolarHBondContact O-CA 3.36Å; P75-R80 PolarHBondContact O-N 2.94Å; P75-E137 VanDerWaalsContact CD-O 3.29Å; P75-E137 WeakPolarHBondContact CD-O 3.47Å; P75-E137 WeakPolarHBondContact CG-O 3.39Å; P75-L140 HydrophobicContact CB-CD1 4.29Å; P75-L140 HydrophobicContact CG-CD1 3.86Å; P75-L140 HydrophobicContact CG-CD2 4.47Å; P75-L140 HydrophobicContact CG-CG 3.96Å; P75-R197 HydrophobicContact CG-CG 4.11Å
76	T	96.9	Very high	98	Very high	33 Å²	33	39.7 Å²	39.7	20%	0.202	21%	0.205	C	C	.	.			trans	-97.1	162.3	-176.6	57	0	0	0	0	111.5	A74 E78 R79 E137	A74-T76 HydrophobicContact CB-CG2 4.13Å; A74-T76 PolarHBondContact O-N 3.37Å; T76-E78 PolarHBondContact O-N 3.19Å; T76-R79 WeakPolarHBondContact O-CB 3.25Å; T76-R79 PolarHBondContact O-N 3.06Å; T76-E137 HydrophobicContact CG2-CB 3.78Å
77	E	93.8	Very high	97.9	Very high	141 Å²	141	39.8 Å²	39.8	66%	0.659	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	55.9	-127	174.4	-54.3	176.4	168.9	0	0	110.9	R79 R80	E77-R79 PolarHBondContact O-N 2.75Å; E77-R79 VanDerWaalsContact O-N 3.14Å; E77-R80 VanDerWaalsContact O-CB 3.23Å; E77-R80 WeakPolarHBondContact O-CB 3.46Å; E77-R80 PolarHBondContact O-N 2.82Å
78	E	95.9	Very high	97.6	Very high	136 Å²	136	46.1 Å²	46.1	64%	0.636	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-62.4	-18.8	179.7	-56	-59.7	143.1	0	0	113.5	T76 R80 Q82 Q312	T76-E78 PolarHBondContact O-N 3.19Å; E78-R80 VanDerWaalsContact C-N 3.34Å; E78-Q82 WeakPolarHBondContact O-CG 3.16Å; E78-Q312 PolarHBondContact O-NE2 3.48Å
79	R	98.1	Very high	97.6	Very high	78 Å²	78	49.9 Å²	49.9	29%	0.294	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-85.3	-6.4	174.2	-67.9	-176.1	-63.6	-76.4	-9.7	113.1	A74 T76 E77 F81 Q82	A74-R79 PolarHBondContact O-NE 3.46Å; A74-R79 PolarHBondContact O-NH2 3.28Å; A74-R79 VanDerWaalsContact O-NH2 3.13Å; T76-R79 WeakPolarHBondContact O-CB 3.25Å; T76-R79 PolarHBondContact O-N 3.06Å; E77-R79 PolarHBondContact O-N 2.75Å; E77-R79 VanDerWaalsContact O-N 3.14Å; R79-F81 PolarHBondContact O-N 3.41Å; R79-Q82 WeakPolarHBondContact O-CB 3.24Å; R79-Q82 PolarHBondContact O-N 3.15Å
80	R	98.5	Very high	97.4	Very high	14 Å²	14	51.7 Å²	51.7	5%	0.053	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	135.2	169.6	-171.2	-172.4	-67.6	160.8	3.9	108.5	P75 E77 E78 Q82 E137 L201 L311 Q312 K314	P75-R80 WeakPolarHBondContact O-CA 3.36Å; P75-R80 PolarHBondContact O-N 2.94Å; E77-R80 VanDerWaalsContact O-CB 3.23Å; E77-R80 WeakPolarHBondContact O-CB 3.46Å; E77-R80 PolarHBondContact O-N 2.82Å; E78-R80 VanDerWaalsContact C-N 3.34Å; R80-Q82 PolarHBondContact O-N 3.14Å; R80-E137 IonicContact CZ-OE1 3.5Å; R80-E137 IonicContact CZ-OE2 3.76Å; R80-E137 IonicContact NE-OE1 3.78Å; R80-E137 PolarHBondContact NE-OE1 2.99Å; R80-E137 IonicContact NE-OE2 2.87Å; R80-E137 PolarHBondContact NE-OE2 2.92Å; R80-E137 IonicContact NH2-OE1 3.39Å; R80-E137 PolarHBondContact NH2-OE1 3.07Å; R80-E137 IonicContact NH2-OE2 3.26Å; R80-E137 PolarHBondContact NH2-OE2 2.68Å; R80-L201 HydrophobicContact CG-CD2 4.13Å; R80-L311 PolarHBondContact NH1-O 2.96Å; R80-L311 VanDerWaalsContact NH1-O 3.12Å; R80-Q312 HydrophobicContact CB-CG 4.4Å; R80-Q312 PolarHBondContact NH1-O 3.48Å; R80-Q312 VanDerWaalsContact NH1-O 3.07Å; R80-Q312 PolarHBondContact O-NE2 3.44Å; R80-K314 PolarHBondContact NH1-O 3.43Å; R80-K314 PolarHBondContact NH2-O 3.05Å
81	F	98.5	Very high	97.3	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	31	-173.6	-41.3	-54.9	0	0	0	113.7	R79 V200 L201 L204 Y215 V308 L311 Q312 L319	R79-F81 PolarHBondContact O-N 3.41Å; F81-V200 HydrophobicContact CE1-CG1 4.27Å; F81-V200 WeakPolarHBondContact CE1-O 3.39Å; F81-V200 HydrophobicContact CZ-CG1 4.39Å; F81-L201 HydrophobicContact CE1-CD2 4.18Å; F81-L201 HydrophobicContact CZ-CD2 4.35Å; F81-L204 HydrophobicContact CD1-CB 4.14Å; F81-L204 HydrophobicContact CD1-CD2 4.47Å; F81-L204 HydrophobicContact CE1-CB 3.98Å; F81-L204 HydrophobicContact CE1-CD1 4.28Å; F81-L204 HydrophobicContact CZ-CD1 4.25Å; F81-Y215 VanDerWaalsContact C-CZ 3.45Å; F81-Y215 HydrophobicContact CB-CD2 4.48Å; F81-Y215 HydrophobicContact CB-CE2 3.71Å; F81-Y215 HydrophobicContact CD1-CD2 4.44Å; F81-Y215 HydrophobicContact CD1-CE2 4.05Å; F81-Y215 HydrophobicContact CG-CE2 4.36Å; F81-Y215 WeakPolarHBondContact O-CE1 3.2Å; F81-Y215 PolarHBondContact O-OH 3.05Å; F81-V308 HydrophobicContact CD2-CG1 4.16Å; F81-L311 HydrophobicContact CE2-CB 3.87Å; F81-L311 HydrophobicContact CZ-CB 4.43Å; F81-Q312 HydrophobicContact CD2-CG 3.73Å; F81-Q312 HydrophobicContact CE2-CG 4.11Å; F81-L319 HydrophobicContact CZ-CD1 4.18Å
82	Q	98.5	Very high	97.1	Very high	83 Å²	83	59.8 Å²	59.8	39%	0.388	33%	0.333	S	S	.	.	S	Bend	trans	-122.5	157.8	170.8	-63.2	-61.2	-27.9	0	0	111	E78 R79 R80 R197	E78-Q82 WeakPolarHBondContact O-CG 3.16Å; R79-Q82 WeakPolarHBondContact O-CB 3.24Å; R79-Q82 PolarHBondContact O-N 3.15Å; R80-Q82 PolarHBondContact O-N 3.14Å; Q82-R197 PolarHBondContact O-NH1 2.91Å; Q82-R197 PolarHBondContact O-NH2 3.37Å
83	P	98.7	Very high	97.1	Very high	67 Å²	67	63.2 Å²	63.2	44%	0.435	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-52.5	145.3	168.4	-25.7	35.4	0	0	0	111.8	L218	P83-L218 HydrophobicContact CB-CD1 4.08Å; P83-L218 HydrophobicContact CG-CD1 4.08Å
84	P	98.6	Very high	97.1	Very high	18 Å²	18	66 Å²	66	12%	0.117	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-68.1	145	177.2	31.4	-35.9	0	0	0	111.2	A72 L140 L218 D219 Q222	A72-P84 HydrophobicContact CB-CB 4.03Å; P84-L140 HydrophobicContact CB-CD1 4.08Å; P84-L218 HydrophobicContact CG-CB 4.24Å; P84-L218 WeakPolarHBondContact CG-O 3.32Å; P84-D219 WeakPolarHBondContact CB-OD1 3.34Å; P84-D219 WeakPolarHBondContact CG-OD1 3.41Å; P84-Q222 HydrophobicContact CB-CB 4.23Å; P84-Q222 HydrophobicContact CB-CG 4.2Å; P84-Q222 HydrophobicContact CG-CB 3.63Å; P84-Q222 HydrophobicContact CG-CG 4.09Å
85	E	97.9	Very high	97.1	Very high	96 Å²	96	69.6 Å²	69.6	45%	0.449	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-104	149.6	174.1	-68.5	178	-159.3	0	0	110.6	A72 L73	A72-E85 CarbonylContact C-O 3.51Å; A72-E85 WeakPolarHBondContact CA-O 3.33Å; A72-E85 WeakPolarHBondContact CB-O 3.45Å; L73-E85 HydrophobicContact CB-CB 4.38Å; L73-E85 HydrophobicContact CD1-CB 3.96Å; L73-E85 PolarHBondContact N-O 2.95Å
86	P	97.4	Very high	97.1	Very high	69 Å²	69	69.4 Å²	69.4	45%	0.448	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-56	149.4	175.4	-25	34.2	0	0	0	113	L73	L73-P86 WeakPolarHBondContact CD1-O 3.4Å; L73-P86 WeakPolarHBondContact CG-O 3.42Å
87	P	96.4	Very high	97.1	Very high	10 Å²	10	69.1 Å²	69.1	7%	0.065	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-69.8	153.9	-174.5	29.3	-31.6	0	0	0	111.3	Y45 Y71	Y45-P87 HydrophobicContact CD1-CG 3.84Å; Y45-P87 WeakPolarHBondContact CD1-O 3.44Å; Y45-P87 HydrophobicContact CD2-CG 3.99Å; Y45-P87 HydrophobicContact CE1-CG 3.73Å; Y45-P87 WeakPolarHBondContact CE1-O 3.31Å; Y45-P87 HydrophobicContact CE2-CG 3.86Å; Y45-P87 HydrophobicContact CG-CG 3.98Å; Y71-P87 VanDerWaalsContact O-CD 3.29Å; Y71-P87 WeakPolarHBondContact O-CD 3.35Å
88	M	94.2	Very high	97.3	Very high	142 Å²	142	69.5 Å²	69.5	70%	0.7	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-70.4	141.2	171.1	-79.7	-175	-59.4	0	0	110.7	L73	L73-M88 HydrophobicContact CD2-CB 4.3Å; L73-M88 HydrophobicContact CD2-CE 3.96Å; L73-M88 HydrophobicContact CD2-CG 3.77Å; L73-M88 HydrophobicContact CD2-SD 4.45Å
89	S	96.5	Very high	97.4	Very high	85 Å²	85	66.9 Å²	66.9	59%	0.594	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-67.1	147.1	168.9	-61.3	0	0	0	0	111.1	Y45	Y45-S89 CarbonylContact O-C 3.52Å; Y45-S89 WeakPolarHBondContact O-CA 3.34Å; Y45-S89 VanDerWaalsContact O-CB 3.31Å; Y45-S89 WeakPolarHBondContact O-CB 3.14Å
90	W	96.3	Very high	97.4	Very high	38 Å²	38	64 Å²	64	14%	0.144	35%	0.352	C	S	.	.			trans	-121.8	143.3	178	56.2	83.9	0	0	0	112.4	Y45 K47 L48 P70 R94	Y45-W90 PolarHBondContact O-N 2.91Å; K47-W90 PolarHBondContact O-NE1 3.24Å; L48-W90 HydrophobicContact CD1-CZ2 4.49Å; L48-W90 HydrophobicContact CD2-CH2 4.15Å; L48-W90 HydrophobicContact CD2-CZ2 3.49Å; L48-W90 VanDerWaalsContact CD2-CZ2 3.49Å; L48-W90 HydrophobicContact CG-CZ2 3.87Å; P70-W90 HydrophobicContact CG-CH2 4.14Å; P70-W90 HydrophobicContact CG-CZ3 3.81Å; W90-R94 HydrophobicContact CD2-CB 4.4Å; W90-R94 HydrophobicContact CG-CB 4.38Å; W90-R94 HydrophobicContact CZ2-CB 4.42Å
91	P	95	Very high	97.4	Very high	127 Å²	127	65.3 Å²	65.3	83%	0.825	36%	0.362	S	S	*	.	S	Bend	trans	-75.2	152.3	171.6	32.2	-34.2	0	0	0	111.2
92	G	96.1	Very high	97.4	Very high	54 Å²	54	65.4 Å²	65.4	56%	0.557	36%	0.363	S	S	*	.	S	Bend	trans	76	-147.4	175.1	0	0	0	0	0	114
93	I	97.8	Very high	97.4	Very high	77 Å²	77	61.6 Å²	61.6	40%	0.395	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.6	-178.5	-56.7	168.7	0	0	0	108.8	K47 R49	K47-I93 HydrophobicContact CB-CB 4.35Å; K47-I93 HydrophobicContact CB-CG1 3.89Å; K47-I93 HydrophobicContact CB-CG2 4.41Å; K47-I93 HydrophobicContact CD-CG1 4.13Å; R49-I93 HydrophobicContact CB-CG2 3.67Å
94	R	97.9	Very high	97.4	Very high	93 Å²	93	58.6 Å²	58.6	35%	0.351	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134	173.3	178.3	178.6	-177.8	114.6	0.1	109.5	K47 L48 R49 W90	K47-R94 PolarHBondContact O-N 3.25Å; L48-R94 CarbonylContact C-O 3.54Å; L48-R94 WeakPolarHBondContact CA-O 3.46Å; L48-R94 HydrophobicContact CD2-CB 4.13Å; L48-R94 HydrophobicContact CD2-CG 4.3Å; R49-R94 PolarHBondContact N-O 2.97Å; W90-R94 HydrophobicContact CD2-CB 4.4Å; W90-R94 HydrophobicContact CG-CB 4.38Å; W90-R94 HydrophobicContact CZ2-CB 4.42Å
95	N	98	Very high	97.2	Very high	94 Å²	94	57.9 Å²	57.9	50%	0.503	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132	173.3	-69.3	-25.4	0	0	0	109.6	R49	R49-N95 WeakPolarHBondContact CD-OD1 3.21Å; R49-N95 PolarHBondContact NH1-OD1 2.94Å
96	A	98.1	Very high	96.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.008	31%	0.313	C	S	.	.			trans	-126.6	57.4	175.6	0	0	0	0	0	108.6	L48 R49 Y66 L67 I69	L48-A96 HydrophobicContact CD2-CB 4.21Å; R49-A96 CarbonylContact O-C 3.58Å; R49-A96 PolarHBondContact O-N 2.98Å; Y66-A96 CarbonylContact C-O 3.51Å; Y66-A96 VanDerWaalsContact CA-O 3.32Å; Y66-A96 WeakPolarHBondContact CA-O 3.33Å; L67-A96 PolarHBondContact N-O 2.94Å; L67-A96 CarbonylContact O-C 3.53Å; L67-A96 WeakPolarHBondContact O-CA 3.32Å; L67-A96 WeakPolarHBondContact O-CB 3.17Å; I69-A96 HydrophobicContact CG1-CB 4.11Å
97	T	97.4	Very high	96.2	Very high	28 Å²	28	54.5 Å²	54.5	17%	0.172	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-114.6	-2.9	-172.5	60.6	0	0	0	0	113.4	V51	V51-T97 HydrophobicContact CB-CG2 4.21Å
98	H	97	Very high	95.3	Very high	148 Å²	148	58 Å²	58	69%	0.685	31%	0.314	S	S	*	.	S	Bend	trans	-141.3	153.4	179.6	-54.3	99	0	0	0	108.6	L67	L67-H98 CarbonylContact C-O 3.53Å; L67-H98 VanDerWaalsContact C-O 3.3Å; L67-H98 WeakPolarHBondContact CB-O 3.48Å
99	F	98.4	Very high	94.2	Very high	82 Å²	82	56.4 Å²	56.4	36%	0.36	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-61.2	145.2	173.4	-65.2	-59.4	0	0	0	111.2	L67 N143 N176	L67-F99 HydrophobicContact CB-CD1 4.15Å; L67-F99 HydrophobicContact CB-CE1 4.42Å; L67-F99 HydrophobicContact CD1-CD1 4.32Å; L67-F99 HydrophobicContact CD1-CE1 4.09Å; L67-F99 HydrophobicContact CD1-CE2 4.46Å; L67-F99 HydrophobicContact CD1-CZ 4.16Å; L67-F99 HydrophobicContact CD2-CD1 4.38Å; L67-F99 HydrophobicContact CD2-CE1 3.81Å; L67-F99 HydrophobicContact CD2-CZ 4.36Å; L67-F99 HydrophobicContact CG-CE1 4.32Å; F99-N143 WeakPolarHBondContact CD1-OD1 3.46Å; F99-N143 HydrophobicContact CE1-CB 4.4Å; F99-N176 HydrophobicContact CD1-CB 3.89Å; F99-N176 WeakPolarHBondContact CD1-OD1 3.33Å; F99-N176 HydrophobicContact CD2-CB 4.26Å; F99-N176 HydrophobicContact CE1-CB 4.04Å; F99-N176 HydrophobicContact CE2-CB 4.4Å; F99-N176 HydrophobicContact CG-CB 4.01Å; F99-N176 HydrophobicContact CZ-CB 4.3Å
100	A	98.1	Very high	92.8	Very high	16 Å²	16	61.5 Å²	61.5	13%	0.132	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-82.2	164.1	167.4	0	0	0	0	0	110.1	Y141 N176	A100-Y141 HydrophobicContact CB-CD1 3.62Å; A100-Y141 HydrophobicContact CB-CD2 3.33Å; A100-Y141 HydrophobicContact CB-CE1 3.99Å; A100-Y141 HydrophobicContact CB-CE2 3.77Å; A100-Y141 HydrophobicContact CB-CG 3.29Å; A100-N176 PolarHBondContact O-ND2 2.96Å
101	P	98.5	Very high	91.3	Very high	43 Å²	43	62 Å²	62	28%	0.279	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-53.3	143.2	174	-27.2	36.3	0	0	0	112.3	E134	P101-E134 CarbonylContact C-O 3.54Å; P101-E134 VanDerWaalsContact CA-O 3.26Å; P101-E134 WeakPolarHBondContact CA-O 3.09Å; P101-E134 WeakPolarHBondContact CB-O 3.42Å
102	V	98.6	Very high	90.4	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.018	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-80.2	164	177.3	-55.5	0	0	0	0	111	V132 E134 Q135 S136 T174 N176	V102-V132 HydrophobicContact CG2-CB 3.94Å; V102-V132 HydrophobicContact CG2-CG1 4.21Å; V102-E134 PolarHBondContact N-O 3.09Å; V102-Q135 HydrophobicContact CG2-CB 4.47Å; V102-Q135 HydrophobicContact CG2-CG 3.86Å; V102-Q135 WeakPolarHBondContact O-CA 3.36Å; V102-S136 PolarHBondContact O-N 3.36Å; V102-T174 HydrophobicContact CG1-CG2 4Å; V102-T174 WeakPolarHBondContact CG1-OG1 3.45Å; V102-N176 WeakPolarHBondContact CG1-ND2 3.29Å
103	C	98.6	Very high	89.5	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.014	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-67.2	148.7	175.4	-62.5	0	0	0	0	111.6	Q105 C139 Y196 L198	C103-Q105 PolarHBondContact O-N 3.43Å; C103-Q105 PolarHBondContact O-NE2 3.47Å; C103-Q105 VanDerWaalsContact O-NE2 3.16Å; C103-C139 VanDerWaalsContact CA-CB 3.44Å; C103-C139 WeakPolarHBondContact CA-SG 3.18Å; C103-C139 HydrophobicContact CB-CB 3.81Å; C103-C139 WeakPolarHBondContact CB-SG 3.15Å; C103-C139 WeakPolarHBondContact SG-CB 3.48Å; C103-C139 CovalentContact SG-SG 2.04Å; C103-C139 PolarHBondContact SG-SG 2.68Å; C103-Y196 VanDerWaalsContact SG-C 3.58Å; C103-Y196 PolarHBondContact SG-O 2.8Å; C103-L198 HydrophobicContact CB-CD1 4.33Å; C103-L198 HydrophobicContact CB-CG 4.28Å
104	P	98.3	Very high	88.5	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.026	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-63.6	130.4	-175.7	-21.8	35.7	0	0	0	111.9	Q135 S136 E137 L201 Y316 I320	P104-Q135 VanDerWaalsContact CA-OE1 3.32Å; P104-S136 VanDerWaalsContact CD-O 3.28Å; P104-S136 WeakPolarHBondContact CD-O 3.29Å; P104-E137 HydrophobicContact CG-CG 4.02Å; P104-L201 HydrophobicContact CB-CD1 3.97Å; P104-L201 HydrophobicContact CG-CD1 3.69Å; P104-Y316 HydrophobicContact CB-CD2 3.42Å; P104-Y316 VanDerWaalsContact CB-CD2 3.42Å; P104-Y316 HydrophobicContact CB-CE2 3.71Å; P104-Y316 HydrophobicContact CB-CG 4.27Å; P104-Y316 HydrophobicContact CG-CD2 3.64Å; P104-Y316 HydrophobicContact CG-CE2 3.91Å; P104-Y316 HydrophobicContact CG-CG 4.07Å; P104-I320 HydrophobicContact CB-CD1 3.77Å; P104-I320 HydrophobicContact CB-CG2 4.33Å
105	Q	95.3	Very high	87.6	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.019	26%	0.259	C	S	.	.			trans	-155.6	151.9	-176.4	62.9	-167	-85.3	0	0	110	C103 V132 Q135 V171 G173	C103-Q105 PolarHBondContact O-N 3.43Å; C103-Q105 PolarHBondContact O-NE2 3.47Å; C103-Q105 VanDerWaalsContact O-NE2 3.16Å; Q105-V132 HydrophobicContact CG-CB 4.38Å; Q105-Q135 PolarHBondContact O-NE2 2.93Å; Q105-Q135 PolarHBondContact O-OE1 2.51Å; Q105-V171 WeakPolarHBondContact CB-O 3.33Å; Q105-G173 PolarHBondContact NE2-O 3.37Å
106	F	90.6	Very high	86.8	Confident	64 Å²	64	49.4 Å²	49.4	28%	0.281	24%	0.239	S	C	.	.			trans	-123	104	-175.1	-169.4	-109.5	0	0	0	110.6	E108 F111 E321	F106-E108 HydrophobicContact CD1-CB 4.1Å; F106-E108 HydrophobicContact CE1-CB 3.53Å; F106-E108 HydrophobicContact CE1-CG 4.45Å; F106-E108 WeakPolarHBondContact CE1-OE2 3.02Å; F106-E108 HydrophobicContact CZ-CB 4.07Å; F106-E108 WeakPolarHBondContact CZ-OE2 3.17Å; F106-E108 PolarHBondContact O-N 2.97Å; F106-F111 HydrophobicContact CD1-CD1 4.31Å; F106-F111 AromaticContact CD1-CD2 3.92Å; F106-F111 HydrophobicContact CD1-CD2 3.92Å; F106-F111 HydrophobicContact CD1-CE1 4.26Å; F106-F111 AromaticContact CD1-CE2 3.9Å; F106-F111 HydrophobicContact CD1-CE2 3.9Å; F106-F111 HydrophobicContact CD1-CG 4.13Å; F106-F111 HydrophobicContact CD1-CZ 4.07Å; F106-F111 AromaticContact CE1-CD2 3.92Å; F106-F111 HydrophobicContact CE1-CD2 3.92Å; F106-F111 AromaticContact CE1-CE2 3.59Å; F106-F111 HydrophobicContact CE1-CE2 3.59Å; F106-F111 AromaticContact CE1-CZ 3.96Å; F106-F111 HydrophobicContact CE1-CZ 3.96Å; F106-E321 HydrophobicContact CD2-CG 3.96Å; F106-E321 HydrophobicContact CE2-CG 4.1Å; F106-E321 HydrophobicContact CG-CG 4.39Å
107	L	84	Confident	86.4	Confident	30 Å²	30	49.5 Å²	49.5	16%	0.157	24%	0.239	C	C	.	.			trans	-93.4	84.4	-179.2	-58.5	-174.5	0	0	0	110.1	L112 F121 L125 V128 V129 V132 E172	L107-L112 HydrophobicContact CD2-CD2 3.88Å; L107-F121 HydrophobicContact CD2-CE1 4.35Å; L107-F121 HydrophobicContact CD2-CZ 4.3Å; L107-L125 HydrophobicContact CB-CD1 4.44Å; L107-L125 HydrophobicContact CD1-CD1 4.27Å; L107-V128 HydrophobicContact CD1-CG1 3.77Å; L107-V129 HydrophobicContact CB-CG2 4.5Å; L107-V129 HydrophobicContact CD1-CG2 4.14Å; L107-V132 HydrophobicContact CD1-CG2 3.4Å; L107-V132 HydrophobicContact CG-CG2 4.2Å; L107-E172 HydrophobicContact CD2-CB 3.58Å; L107-E172 HydrophobicContact CD2-CG 4.12Å
108	E	77.2	Confident	86	Confident	82 Å²	82	48.7 Å²	48.7	38%	0.383	23%	0.234	S	C	.	.			trans	-123	135.9	165.9	179.2	177.4	-179.2	0	0	108.1	F106 R110 F111 L112	F106-E108 HydrophobicContact CD1-CB 4.1Å; F106-E108 HydrophobicContact CE1-CB 3.53Å; F106-E108 HydrophobicContact CE1-CG 4.45Å; F106-E108 WeakPolarHBondContact CE1-OE2 3.02Å; F106-E108 HydrophobicContact CZ-CB 4.07Å; F106-E108 WeakPolarHBondContact CZ-OE2 3.17Å; F106-E108 PolarHBondContact O-N 2.97Å; E108-R110 PolarHBondContact O-N 2.81Å; E108-F111 HydrophobicContact CB-CD2 3.84Å; E108-F111 HydrophobicContact CB-CE2 4.29Å; E108-F111 HydrophobicContact CG-CD2 4.3Å; E108-F111 WeakPolarHBondContact O-CB 3.39Å; E108-F111 PolarHBondContact O-N 3.24Å; E108-L112 PolarHBondContact O-N 3.39Å
109	D	71.6	Confident	85.5	Confident	109 Å²	109	42.2 Å²	42.2	58%	0.583	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-32.5	-171	-74.4	-15.6	0	0	0	114.7	F111 L125	D109-F111 VanDerWaalsContact C-N 3.32Å; D109-F111 PolarHBondContact O-N 3.27Å; D109-L125 WeakPolarHBondContact OD1-CD2 3.48Å
110	R	66.8	Low	85.1	Confident	192 Å²	192	39.3 Å²	39.3	73%	0.725	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-26	-179.6	-60.1	-178.1	-173.7	-156.7	1.6	113.5	E108 Y323	E108-R110 PolarHBondContact O-N 2.81Å; R110-Y323 HydrophobicContact CB-CE2 4.49Å; R110-Y323 WeakPolarHBondContact O-CE2 3.4Å
111	F	64	Low	84.6	Confident	50 Å²	50	38.7 Å²	38.7	22%	0.219	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-18.9	-177.6	-67.6	-105.1	0	0	0	112.3	F106 E108 D109 L113 Y323	F106-F111 HydrophobicContact CD1-CD1 4.31Å; F106-F111 AromaticContact CD1-CD2 3.92Å; F106-F111 HydrophobicContact CD1-CD2 3.92Å; F106-F111 HydrophobicContact CD1-CE1 4.26Å; F106-F111 AromaticContact CD1-CE2 3.9Å; F106-F111 HydrophobicContact CD1-CE2 3.9Å; F106-F111 HydrophobicContact CD1-CG 4.13Å; F106-F111 HydrophobicContact CD1-CZ 4.07Å; F106-F111 AromaticContact CE1-CD2 3.92Å; F106-F111 HydrophobicContact CE1-CD2 3.92Å; F106-F111 AromaticContact CE1-CE2 3.59Å; F106-F111 HydrophobicContact CE1-CE2 3.59Å; F106-F111 AromaticContact CE1-CZ 3.96Å; F106-F111 HydrophobicContact CE1-CZ 3.96Å; E108-F111 HydrophobicContact CB-CD2 3.84Å; E108-F111 HydrophobicContact CB-CE2 4.29Å; E108-F111 HydrophobicContact CG-CD2 4.3Å; E108-F111 WeakPolarHBondContact O-CB 3.39Å; E108-F111 PolarHBondContact O-N 3.24Å; D109-F111 VanDerWaalsContact C-N 3.32Å; D109-F111 PolarHBondContact O-N 3.27Å; F111-L113 PolarHBondContact O-N 2.85Å; F111-Y323 AromaticContact CD1-CD2 3.69Å; F111-Y323 HydrophobicContact CD1-CD2 3.69Å; F111-Y323 HydrophobicContact CD1-CE2 4.42Å; F111-Y323 HydrophobicContact CD2-CD2 4.21Å; F111-Y323 VanDerWaalsContact CE1-CA 3.5Å; F111-Y323 AromaticContact CE1-CD2 3.57Å; F111-Y323 HydrophobicContact CE1-CD2 3.57Å; F111-Y323 HydrophobicContact CE1-CG 4.18Å; F111-Y323 HydrophobicContact CE2-CD2 4.09Å; F111-Y323 HydrophobicContact CG-CD2 4.03Å; F111-Y323 HydrophobicContact CG-CE2 4.44Å; F111-Y323 AromaticContact CZ-CD2 3.77Å; F111-Y323 HydrophobicContact CZ-CD2 3.77Å; F111-Y323 HydrophobicContact CZ-CG 4.27Å
112	L	76.2	Confident	84	Confident	12 Å²	12	37.8 Å²	37.8	6%	0.063	18%	0.18	C	C	.	.			trans	-71.9	126.2	-178.6	-60.9	-176.8	0	0	0	110.8	L107 E108 N114 L117 L125 E172	L107-L112 HydrophobicContact CD2-CD2 3.88Å; E108-L112 PolarHBondContact O-N 3.39Å; L112-N114 VanDerWaalsContact CB-OD1 3.3Å; L112-N114 WeakPolarHBondContact CB-OD1 3.35Å; L112-N114 PolarHBondContact O-N 3.23Å; L112-L117 HydrophobicContact CB-CD1 3.89Å; L112-L117 HydrophobicContact CD1-CD1 4.44Å; L112-L117 HydrophobicContact CD2-CD1 4.03Å; L112-L117 HydrophobicContact CG-CD1 4.33Å; L112-L125 HydrophobicContact CD1-CD1 4.02Å; L112-L125 HydrophobicContact CD1-CD2 4.16Å; L112-E172 HydrophobicContact CD2-CG 4.5Å
113	L	76.4	Confident	83.3	Confident	47 Å²	47	38.9 Å²	38.9	25%	0.246	19%	0.189	C	C	.	.			trans	-78	69.7	168.6	-66.4	173.7	0	0	0	108.9	F111 D115 M116 L117 P326 I331	F111-L113 PolarHBondContact O-N 2.85Å; L113-D115 PolarHBondContact O-N 3.01Å; L113-D115 VanDerWaalsContact O-N 3.11Å; L113-M116 HydrophobicContact CB-CB 4.27Å; L113-M116 HydrophobicContact CB-CG 4.37Å; L113-M116 HydrophobicContact CB-SD 4.06Å; L113-M116 HydrophobicContact CD1-SD 3.93Å; L113-M116 WeakPolarHBondContact O-CA 3.42Å; L113-M116 WeakPolarHBondContact O-CB 3.16Å; L113-M116 PolarHBondContact O-N 3.21Å; L113-L117 PolarHBondContact O-N 3.1Å; L113-P326 HydrophobicContact CD2-CG 4.44Å; L113-I331 HydrophobicContact CD1-CG2 4.28Å
114	N	78.1	Confident	82.6	Confident	57 Å²	57	39.9 Å²	39.9	31%	0.305	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.9	-171.1	-73.5	-32.7	0	0	0	114	L112 M116 L117 T122	L112-N114 VanDerWaalsContact CB-OD1 3.3Å; L112-N114 WeakPolarHBondContact CB-OD1 3.35Å; L112-N114 PolarHBondContact O-N 3.23Å; N114-M116 PolarHBondContact O-N 2.89Å; N114-L117 PolarHBondContact O-N 3.49Å; N114-T122 WeakPolarHBondContact OD1-CG2 3.4Å
115	D	77.5	Confident	82	Confident	48 Å²	48	41 Å²	41	26%	0.257	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.1	176.3	-64.3	-34.5	0	0	0	113.3	L113 F437	L113-D115 PolarHBondContact O-N 3.01Å; L113-D115 VanDerWaalsContact O-N 3.11Å; D115-F437 HydrophobicContact CB-CE1 4.34Å; D115-F437 HydrophobicContact CB-CZ 4.44Å
116	M	82.4	Confident	81.7	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.079	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-12.5	-175.7	-61.5	177.9	53.3	0	0	113.6	L113 N114 W280 I331 H482	L113-M116 HydrophobicContact CB-CB 4.27Å; L113-M116 HydrophobicContact CB-CG 4.37Å; L113-M116 HydrophobicContact CB-SD 4.06Å; L113-M116 HydrophobicContact CD1-SD 3.93Å; L113-M116 WeakPolarHBondContact O-CA 3.42Å; L113-M116 WeakPolarHBondContact O-CB 3.16Å; L113-M116 PolarHBondContact O-N 3.21Å; N114-M116 PolarHBondContact O-N 2.89Å; M116-W280 HydrophobicContact CE-CB 3.32Å; M116-W280 HydrophobicContact CE-CD2 3.62Å; M116-W280 HydrophobicContact CE-CE3 4.05Å; M116-W280 HydrophobicContact CE-CG 3.28Å; M116-W280 HydrophobicContact CG-CD2 3.78Å; M116-W280 HydrophobicContact CG-CE3 3.33Å; M116-W280 HydrophobicContact CG-CG 4.45Å; M116-W280 HydrophobicContact CG-CH2 4.14Å; M116-W280 HydrophobicContact CG-CZ3 3.52Å; M116-W280 HydrophobicContact SD-CB 3.69Å; M116-W280 HydrophobicContact SD-CD2 3.73Å; M116-W280 HydrophobicContact SD-CE3 3.48Å; M116-W280 HydrophobicContact SD-CG 3.85Å; M116-W280 HydrophobicContact SD-CZ3 4.28Å; M116-I331 HydrophobicContact CE-CG2 4.04Å; M116-I331 HydrophobicContact SD-CG2 4.5Å; M116-H482 PolarHBondContact O-CD2 3.03Å; M116-H482 PolarHBondContact O-NE2 3.46Å
117	L	88.7	Confident	81.6	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.233	C	C	.	.	S	Bend	trans	-88.4	146.9	-176.6	-73.3	174.5	0	0	0	111.7	L112 L113 N114 F121 T122 E172	L112-L117 HydrophobicContact CB-CD1 3.89Å; L112-L117 HydrophobicContact CD1-CD1 4.44Å; L112-L117 HydrophobicContact CD2-CD1 4.03Å; L112-L117 HydrophobicContact CG-CD1 4.33Å; L113-L117 PolarHBondContact O-N 3.1Å; N114-L117 PolarHBondContact O-N 3.49Å; L117-F121 HydrophobicContact CD1-CD1 4.18Å; L117-F121 HydrophobicContact CD1-CE1 4.3Å; L117-F121 HydrophobicContact CD2-CD1 4.36Å; L117-F121 HydrophobicContact CD2-CE1 4.48Å; L117-T122 HydrophobicContact CB-CG2 3.56Å; L117-T122 HydrophobicContact CD1-CG2 3.8Å; L117-T122 HydrophobicContact CG-CG2 4.35Å; L117-E172 HydrophobicContact CD2-CG 4.09Å; L117-E172 WeakPolarHBondContact CD2-OE1 3.42Å
118	P	88.9	Confident	81.9	Confident	12 Å²	12	45.2 Å²	45.2	8%	0.078	23%	0.227	C	C	.	.			trans	-55.6	143.2	171.8	-27	35.9	0	0	0	112.2	W120 F121 T122 H482	P118-W120 VanDerWaalsContact C-N 3.31Å; P118-W120 HydrophobicContact CB-CD2 4.12Å; P118-W120 HydrophobicContact CB-CG 4.26Å; P118-W120 HydrophobicContact CB-CZ2 3.94Å; P118-W120 HydrophobicContact CG-CZ2 4.04Å; P118-W120 PolarHBondContact O-N 2.93Å; P118-F121 HydrophobicContact CB-CB 4.13Å; P118-F121 WeakPolarHBondContact O-CB 3.49Å; P118-F121 PolarHBondContact O-N 3.45Å; P118-T122 PolarHBondContact O-N 2.85Å; P118-T122 PolarHBondContact O-OG1 2.89Å; P118-H482 VanDerWaalsContact CA-O 3.32Å; P118-H482 WeakPolarHBondContact CA-O 3.08Å
119	V	88.3	Confident	82.5	Confident	12 Å²	12	44.4 Å²	44.4	7%	0.073	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-40.7	-178.6	175.6	0	0	0	0	111.3	F121 T122 A123 F370 A481 H482	V119-F121 PolarHBondContact O-N 2.82Å; V119-T122 PolarHBondContact O-N 3.02Å; V119-T122 PolarHBondContact O-OG1 2.94Å; V119-A123 WeakPolarHBondContact O-CB 3.4Å; V119-A123 PolarHBondContact O-N 3.11Å; V119-F370 HydrophobicContact CG2-CD1 4.03Å; V119-A481 HydrophobicContact CG2-CB 3.59Å; V119-H482 PolarHBondContact N-O 2.84Å
120	W	88.4	Confident	83.6	Confident	20 Å²	20	41.9 Å²	41.9	8%	0.076	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-26.9	177.1	59	-100.1	0	0	0	113.2	P118 N124 M177 G483 V486 L500 F501	P118-W120 VanDerWaalsContact C-N 3.31Å; P118-W120 HydrophobicContact CB-CD2 4.12Å; P118-W120 HydrophobicContact CB-CG 4.26Å; P118-W120 HydrophobicContact CB-CZ2 3.94Å; P118-W120 HydrophobicContact CG-CZ2 4.04Å; P118-W120 PolarHBondContact O-N 2.93Å; W120-N124 PolarHBondContact O-N 3.32Å; W120-M177 HydrophobicContact CH2-CE 3.88Å; W120-M177 HydrophobicContact CH2-CG 4.38Å; W120-M177 HydrophobicContact CH2-SD 3.78Å; W120-M177 HydrophobicContact CZ3-SD 4.19Å; W120-G483 VanDerWaalsContact CD1-O 3.32Å; W120-G483 PolarHBondContact NE1-O 3.23Å; W120-G483 VanDerWaalsContact NE1-O 3.16Å; W120-V486 HydrophobicContact CZ2-CG1 4.36Å; W120-L500 HydrophobicContact CE3-CD1 4.08Å; W120-L500 HydrophobicContact CE3-CD2 4.43Å; W120-L500 HydrophobicContact CE3-CG 4.12Å; W120-L500 HydrophobicContact CZ3-CD1 4.04Å; W120-L500 HydrophobicContact CZ3-CD2 4.05Å; W120-L500 HydrophobicContact CZ3-CG 4.18Å; W120-F501 HydrophobicContact CB-CD1 4.14Å; W120-F501 HydrophobicContact CB-CE1 4.19Å; W120-F501 AromaticContact CD1-CE1 3.89Å; W120-F501 HydrophobicContact CD2-CD1 4.35Å; W120-F501 AromaticContact CD2-CE1 3.58Å; W120-F501 HydrophobicContact CD2-CE1 3.58Å; W120-F501 HydrophobicContact CD2-CZ 4.2Å; W120-F501 AromaticContact CE2-CE1 3.87Å; W120-F501 HydrophobicContact CE3-CE1 4.02Å; W120-F501 HydrophobicContact CE3-CZ 4.34Å; W120-F501 HydrophobicContact CG-CD1 4.08Å; W120-F501 AromaticContact CG-CE1 3.64Å; W120-F501 HydrophobicContact CG-CE1 3.64Å; W120-F501 AromaticContact NE1-CE1 3.99Å
121	F	89.3	Confident	84.8	Confident	3 Å²	3	36.9 Å²	36.9	1%	0.013	20%	0.2	C	C	.	.	H	α-helix	trans	-74.8	-48.8	178.7	-171	-78.5	0	0	0	110.7	L107 L117 P118 V119 V128 E172 M177	L107-F121 HydrophobicContact CD2-CE1 4.35Å; L107-F121 HydrophobicContact CD2-CZ 4.3Å; L117-F121 HydrophobicContact CD1-CD1 4.18Å; L117-F121 HydrophobicContact CD1-CE1 4.3Å; L117-F121 HydrophobicContact CD2-CD1 4.36Å; L117-F121 HydrophobicContact CD2-CE1 4.48Å; P118-F121 HydrophobicContact CB-CB 4.13Å; P118-F121 WeakPolarHBondContact O-CB 3.49Å; P118-F121 PolarHBondContact O-N 3.45Å; V119-F121 PolarHBondContact O-N 2.82Å; F121-V128 HydrophobicContact CD1-CG1 4.48Å; F121-V128 HydrophobicContact CD2-CG1 4.15Å; F121-V128 HydrophobicContact CD2-CG2 4.17Å; F121-V128 HydrophobicContact CE1-CG1 3.95Å; F121-V128 HydrophobicContact CE2-CG1 3.58Å; F121-V128 HydrophobicContact CE2-CG2 4.43Å; F121-V128 HydrophobicContact CG-CG2 4.27Å; F121-V128 HydrophobicContact CZ-CG1 3.48Å; F121-V128 VanDerWaalsContact CZ-CG1 3.48Å; F121-E172 HydrophobicContact CE1-CG 4.22Å; F121-E172 HydrophobicContact CZ-CB 4.29Å; F121-E172 HydrophobicContact CZ-CG 4.04Å; F121-M177 HydrophobicContact CD2-SD 4.34Å; F121-M177 HydrophobicContact CE2-SD 4.23Å
122	T	84.8	Confident	86.3	Confident	25 Å²	25	34.8 Å²	34.8	15%	0.153	19%	0.191	C	C	.	.	H	α-helix	trans	-74.2	-31.9	-179.3	52.8	0	0	0	0	112.7	N114 L117 P118 V119	N114-T122 WeakPolarHBondContact OD1-CG2 3.4Å; L117-T122 HydrophobicContact CB-CG2 3.56Å; L117-T122 HydrophobicContact CD1-CG2 3.8Å; L117-T122 HydrophobicContact CG-CG2 4.35Å; P118-T122 PolarHBondContact O-N 2.85Å; P118-T122 PolarHBondContact O-OG1 2.89Å; V119-T122 PolarHBondContact O-N 3.02Å; V119-T122 PolarHBondContact O-OG1 2.94Å
123	A	83.3	Confident	87	Confident	26 Å²	26	41 Å²	41	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-69.7	-38.9	178	0	0	0	0	0	112.3	V119 M473	V119-A123 WeakPolarHBondContact O-CB 3.4Å; V119-A123 PolarHBondContact O-N 3.11Å; A123-M473 HydrophobicContact CB-CB 4.08Å; A123-M473 HydrophobicContact CB-CE 3.84Å; A123-M473 HydrophobicContact CB-SD 3.77Å; A123-M473 WeakPolarHBondContact O-CE 3.16Å
124	N	84.7	Confident	87.9	Confident	22 Å²	22	44.9 Å²	44.9	12%	0.118	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	43.4	-175.3	-63.5	-50.5	0	0	0	112.5	W120 D126 T127 V128 L500	W120-N124 PolarHBondContact O-N 3.32Å; N124-D126 VanDerWaalsContact C-N 3.28Å; N124-D126 PolarHBondContact O-N 3.19Å; N124-T127 WeakPolarHBondContact O-CB 3.46Å; N124-T127 PolarHBondContact O-N 2.87Å; N124-V128 WeakPolarHBondContact O-CG2 3.04Å; N124-V128 PolarHBondContact O-N 2.83Å; N124-L500 PolarHBondContact ND2-O 3.05Å
125	L	86.5	Confident	88.9	Confident	27 Å²	27	44.7 Å²	44.7	14%	0.141	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-39.7	-172.7	-168.6	65.5	0	0	0	112.9	L107 D109 L112 T127 V128 V129	L107-L125 HydrophobicContact CB-CD1 4.44Å; L107-L125 HydrophobicContact CD1-CD1 4.27Å; D109-L125 WeakPolarHBondContact OD1-CD2 3.48Å; L112-L125 HydrophobicContact CD1-CD1 4.02Å; L112-L125 HydrophobicContact CD1-CD2 4.16Å; L125-T127 VanDerWaalsContact C-N 3.28Å; L125-T127 PolarHBondContact O-N 2.79Å; L125-V128 WeakPolarHBondContact O-CB 3.41Å; L125-V128 PolarHBondContact O-N 3.14Å; L125-V128 VanDerWaalsContact O-N 3.13Å; L125-V129 HydrophobicContact CG-CG2 4.44Å; L125-V129 VanDerWaalsContact O-CG2 3.28Å; L125-V129 WeakPolarHBondContact O-CG2 3.29Å; L125-V129 PolarHBondContact O-N 3.45Å
126	D	87.5	Confident	89.9	Confident	149 Å²	149	44.2 Å²	44.2	80%	0.797	24%	0.235	S	C	*	.	H	α-helix	trans	-56.6	-42.1	176.6	-70.8	-23.3	0	0	0	112.2	N124	N124-D126 VanDerWaalsContact C-N 3.28Å; N124-D126 PolarHBondContact O-N 3.19Å
127	T	89.6	Confident	90.6	Very high	34 Å²	34	44.2 Å²	44.2	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-71	-43.4	176.3	-57.5	0	0	0	0	110.7	N124 L125 V129 S130 Y131 D499 L500	N124-T127 WeakPolarHBondContact O-CB 3.46Å; N124-T127 PolarHBondContact O-N 2.87Å; L125-T127 VanDerWaalsContact C-N 3.28Å; L125-T127 PolarHBondContact O-N 2.79Å; T127-V129 VanDerWaalsContact C-N 3.27Å; T127-V129 PolarHBondContact O-N 2.83Å; T127-S130 WeakPolarHBondContact O-CB 3.43Å; T127-S130 PolarHBondContact O-N 2.8Å; T127-S130 PolarHBondContact O-OG 2.9Å; T127-Y131 HydrophobicContact CG2-CE2 4.11Å; T127-Y131 WeakPolarHBondContact O-CD2 3.23Å; T127-D499 HydrophobicContact CG2-CB 3.8Å; T127-D499 PolarHBondContact OG1-O 2.99Å; T127-L500 HydrophobicContact CG2-CB 4.44Å; T127-L500 HydrophobicContact CG2-CD1 4.49Å
128	V	90.1	Very high	91.1	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.03	25%	0.248	C	C	.	.	H	α-helix	trans	-57.1	-42.4	176.9	172.9	0	0	0	0	111	L107 F121 N124 L125 S130 Y131 V132 L500	L107-V128 HydrophobicContact CD1-CG1 3.77Å; F121-V128 HydrophobicContact CD1-CG1 4.48Å; F121-V128 HydrophobicContact CD2-CG1 4.15Å; F121-V128 HydrophobicContact CD2-CG2 4.17Å; F121-V128 HydrophobicContact CE1-CG1 3.95Å; F121-V128 HydrophobicContact CE2-CG1 3.58Å; F121-V128 HydrophobicContact CE2-CG2 4.43Å; F121-V128 HydrophobicContact CG-CG2 4.27Å; F121-V128 HydrophobicContact CZ-CG1 3.48Å; F121-V128 VanDerWaalsContact CZ-CG1 3.48Å; N124-V128 WeakPolarHBondContact O-CG2 3.04Å; N124-V128 PolarHBondContact O-N 2.83Å; L125-V128 WeakPolarHBondContact O-CB 3.41Å; L125-V128 PolarHBondContact O-N 3.14Å; L125-V128 VanDerWaalsContact O-N 3.13Å; V128-S130 PolarHBondContact O-N 2.89Å; V128-Y131 WeakPolarHBondContact O-CB 3.41Å; V128-Y131 PolarHBondContact O-N 3.39Å; V128-V132 PolarHBondContact O-N 2.91Å; V128-L500 HydrophobicContact CG2-CD1 3.75Å
129	V	90.5	Very high	91.6	Very high	64 Å²	64	46.2 Å²	46.2	39%	0.388	24%	0.244	S	C	.	.	H	α-helix	trans	-56.3	-35.4	176.8	168.5	0	0	0	0	111.6	L107 L125 T127 Y131 V132 Q133	L107-V129 HydrophobicContact CB-CG2 4.5Å; L107-V129 HydrophobicContact CD1-CG2 4.14Å; L125-V129 HydrophobicContact CG-CG2 4.44Å; L125-V129 VanDerWaalsContact O-CG2 3.28Å; L125-V129 WeakPolarHBondContact O-CG2 3.29Å; L125-V129 PolarHBondContact O-N 3.45Å; T127-V129 VanDerWaalsContact C-N 3.27Å; T127-V129 PolarHBondContact O-N 2.83Å; V129-Y131 VanDerWaalsContact C-N 3.28Å; V129-Y131 PolarHBondContact O-N 3.11Å; V129-V132 CarbonylContact O-C 3.21Å; V129-V132 PolarHBondContact O-N 2.88Å; V129-V132 VanDerWaalsContact O-N 3.15Å; V129-Q133 PolarHBondContact O-N 3.11Å
130	S	92.9	Very high	92.1	Very high	57 Å²	57	45.7 Å²	45.7	40%	0.399	24%	0.241	S	C	.	.	H	α-helix	trans	-64.3	-30.4	176.6	79.6	0	0	0	0	113.6	T127 V128 Q133	T127-S130 WeakPolarHBondContact O-CB 3.43Å; T127-S130 PolarHBondContact O-N 2.8Å; T127-S130 PolarHBondContact O-OG 2.9Å; V128-S130 PolarHBondContact O-N 2.89Å; S130-Q133 WeakPolarHBondContact O-CG 3.28Å; S130-Q133 PolarHBondContact O-NE2 3.43Å
131	Y	93.3	Very high	92.6	Very high	87 Å²	87	45.5 Å²	45.5	34%	0.341	24%	0.241	S	C	.	.	H	α-helix	trans	-77.3	-22.9	175.7	-75.6	-90.6	0	0	0	112.9	T127 V128 V129 M177	T127-Y131 HydrophobicContact CG2-CE2 4.11Å; T127-Y131 WeakPolarHBondContact O-CD2 3.23Å; V128-Y131 WeakPolarHBondContact O-CB 3.41Å; V128-Y131 PolarHBondContact O-N 3.39Å; V129-Y131 VanDerWaalsContact C-N 3.28Å; V129-Y131 PolarHBondContact O-N 3.11Å; Y131-M177 HydrophobicContact CD1-CB 4.4Å; Y131-M177 HydrophobicContact CG-CB 4.48Å
132	V	94.3	Very high	93	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.03	24%	0.24	C	C	.	.	S	Bend	trans	-114.4	15.6	-175	-56.1	0	0	0	0	113.7	V102 Q105 L107 V128 V129 Q135 T174	V102-V132 HydrophobicContact CG2-CB 3.94Å; V102-V132 HydrophobicContact CG2-CG1 4.21Å; Q105-V132 HydrophobicContact CG-CB 4.38Å; L107-V132 HydrophobicContact CD1-CG2 3.4Å; L107-V132 HydrophobicContact CG-CG2 4.2Å; V128-V132 PolarHBondContact O-N 2.91Å; V129-V132 CarbonylContact O-C 3.21Å; V129-V132 PolarHBondContact O-N 2.88Å; V129-V132 VanDerWaalsContact O-N 3.15Å; V132-Q135 WeakPolarHBondContact O-CG 3.16Å; V132-Q135 PolarHBondContact O-NE2 3.1Å; V132-T174 HydrophobicContact CG1-CG2 4.04Å
133	Q	91.3	Very high	93.7	Very high	143 Å²	143	44.2 Å²	44.2	67%	0.668	23%	0.233	S	C	*	.	S	Bend	trans	-68.4	-38.2	180	66.9	-177.4	-13.8	0	0	112.6	V129 S130 Q135	V129-Q133 PolarHBondContact O-N 3.11Å; S130-Q133 WeakPolarHBondContact O-CG 3.28Å; S130-Q133 PolarHBondContact O-NE2 3.43Å; Q133-Q135 PolarHBondContact O-N 2.89Å
134	E	96.1	Very high	94.4	Very high	128 Å²	128	43 Å²	43	60%	0.598	22%	0.223	S	C	*	.	S	Bend	trans	-93.9	94.5	179.7	-72	-173.4	-165.3	0	0	109.8	P101 V102	P101-E134 CarbonylContact C-O 3.54Å; P101-E134 VanDerWaalsContact CA-O 3.26Å; P101-E134 WeakPolarHBondContact CA-O 3.09Å; P101-E134 WeakPolarHBondContact CB-O 3.42Å; V102-E134 PolarHBondContact N-O 3.09Å
135	Q	97.9	Very high	95.1	Very high	54 Å²	54	42 Å²	42	25%	0.252	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-108.8	143.5	-177.9	-50.9	-172.8	8.9	0	0	112.4	V102 P104 Q105 V132 Q133 Y316	V102-Q135 HydrophobicContact CG2-CB 4.47Å; V102-Q135 HydrophobicContact CG2-CG 3.86Å; V102-Q135 WeakPolarHBondContact O-CA 3.36Å; P104-Q135 VanDerWaalsContact CA-OE1 3.32Å; Q105-Q135 PolarHBondContact O-NE2 2.93Å; Q105-Q135 PolarHBondContact O-OE1 2.51Å; V132-Q135 WeakPolarHBondContact O-CG 3.16Å; V132-Q135 PolarHBondContact O-NE2 3.1Å; Q133-Q135 PolarHBondContact O-N 2.89Å; Q135-Y316 PolarHBondContact O-OH 3.06Å
136	S	98.4	Very high	95.7	Very high	37 Å²	37	41.1 Å²	41.1	26%	0.259	21%	0.213	S	C	.	.			trans	-152.1	150.9	174.9	-176.1	0	0	0	0	110.4	V102 P104 D138 C139	V102-S136 PolarHBondContact O-N 3.36Å; P104-S136 VanDerWaalsContact CD-O 3.28Å; P104-S136 WeakPolarHBondContact CD-O 3.29Å; S136-D138 WeakPolarHBondContact CB-O 3.26Å; S136-D138 PolarHBondContact O-N 2.77Å; S136-D138 PolarHBondContact OG-N 2.9Å; S136-D138 VanDerWaalsContact OG-N 3.12Å; S136-C139 VanDerWaalsContact O-CB 3.32Å; S136-C139 WeakPolarHBondContact O-CB 3.45Å
137	E	98.4	Very high	96.1	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.079	18%	0.177	C	C	.	.	S	Bend	trans	-67.4	-27.3	166.3	-74.1	-162.8	145.9	0	0	112.5	P75 T76 R80 P104 C139 L201 Y316	P75-E137 VanDerWaalsContact CD-O 3.29Å; P75-E137 WeakPolarHBondContact CD-O 3.47Å; P75-E137 WeakPolarHBondContact CG-O 3.39Å; T76-E137 HydrophobicContact CG2-CB 3.78Å; R80-E137 IonicContact CZ-OE1 3.5Å; R80-E137 IonicContact CZ-OE2 3.76Å; R80-E137 IonicContact NE-OE1 3.78Å; R80-E137 PolarHBondContact NE-OE1 2.99Å; R80-E137 IonicContact NE-OE2 2.87Å; R80-E137 PolarHBondContact NE-OE2 2.92Å; R80-E137 IonicContact NH2-OE1 3.39Å; R80-E137 PolarHBondContact NH2-OE1 3.07Å; R80-E137 IonicContact NH2-OE2 3.26Å; R80-E137 PolarHBondContact NH2-OE2 2.68Å; P104-E137 HydrophobicContact CG-CG 4.02Å; E137-C139 VanDerWaalsContact C-N 3.25Å; E137-C139 PolarHBondContact O-N 3.37Å; E137-L201 HydrophobicContact CG-CD1 4.06Å; E137-L201 WeakPolarHBondContact OE1-CD2 3.29Å; E137-Y316 HydrophobicContact CG-CD1 3.73Å; E137-Y316 HydrophobicContact CG-CG 3.88Å; E137-Y316 VanDerWaalsContact OE1-CB 3.24Å; E137-Y316 WeakPolarHBondContact OE1-CB 3.34Å
138	D	98.5	Very high	96.1	Very high	55 Å²	55	34.5 Å²	34.5	29%	0.294	18%	0.178	S	C	.	.			trans	-75.1	83.8	164.3	-176.5	6	0	0	0	108.4	A74 S136 Y141	A74-D138 HydrophobicContact CB-CB 3.73Å; S136-D138 WeakPolarHBondContact CB-O 3.26Å; S136-D138 PolarHBondContact O-N 2.77Å; S136-D138 PolarHBondContact OG-N 2.9Å; S136-D138 VanDerWaalsContact OG-N 3.12Å; D138-Y141 VanDerWaalsContact CG-OH 3.28Å; D138-Y141 WeakPolarHBondContact O-CE2 3.39Å; D138-Y141 VanDerWaalsContact OD1-CE2 3.28Å; D138-Y141 WeakPolarHBondContact OD1-CE2 3.2Å; D138-Y141 PolarHBondContact OD1-OH 2.8Å; D138-Y141 PolarHBondContact OD2-OH 2.85Å
139	C	98.7	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.			trans	-132	5	-175.4	66.5	0	0	0	0	114.8	C103 S136 E137 Y141 N195	C103-C139 VanDerWaalsContact CA-CB 3.44Å; C103-C139 WeakPolarHBondContact CA-SG 3.18Å; C103-C139 HydrophobicContact CB-CB 3.81Å; C103-C139 WeakPolarHBondContact CB-SG 3.15Å; C103-C139 WeakPolarHBondContact SG-CB 3.48Å; C103-C139 CovalentContact SG-SG 2.04Å; C103-C139 PolarHBondContact SG-SG 2.68Å; S136-C139 VanDerWaalsContact O-CB 3.32Å; S136-C139 WeakPolarHBondContact O-CB 3.45Å; E137-C139 VanDerWaalsContact C-N 3.25Å; E137-C139 PolarHBondContact O-N 3.37Å; C139-Y141 PolarHBondContact O-N 2.88Å; C139-N195 WeakPolarHBondContact O-CB 3.35Å
140	L	98.9	Very high	94.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.211	C	C	.	.			trans	-79.8	72	-176.5	-58	-171	0	0	0	111.8	Y71 A72 P75 P84 R197 D219	Y71-L140 WeakPolarHBondContact CD1-O 3.38Å; Y71-L140 HydrophobicContact CE1-CB 4.07Å; Y71-L140 HydrophobicContact CE2-CB 4.21Å; Y71-L140 PolarHBondContact N-O 2.99Å; Y71-L140 WeakPolarHBondContact OH-CD2 3.26Å; A72-L140 HydrophobicContact CB-CB 3.96Å; A72-L140 HydrophobicContact CB-CD1 3.61Å; A72-L140 HydrophobicContact CB-CG 4.45Å; P75-L140 HydrophobicContact CB-CD1 4.29Å; P75-L140 HydrophobicContact CG-CD1 3.86Å; P75-L140 HydrophobicContact CG-CD2 4.47Å; P75-L140 HydrophobicContact CG-CG 3.96Å; P84-L140 HydrophobicContact CB-CD1 4.08Å; L140-R197 HydrophobicContact CD2-CG 4.13Å; L140-D219 HydrophobicContact CD2-CB 4.19Å; L140-D219 WeakPolarHBondContact CD2-OD2 3.49Å
141	Y	98.9	Very high	93.6	Very high	17 Å²	17	41 Å²	41	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.3	-177	-61.8	-88.6	0	0	0	111.8	G68 I69 P70 A100 D138 C139 N195	G68-Y141 VanDerWaalsContact O-CD1 3.28Å; G68-Y141 WeakPolarHBondContact O-CD1 3.38Å; I69-Y141 CarbonylContact O-C 3.53Å; I69-Y141 VanDerWaalsContact O-CA 3.26Å; I69-Y141 WeakPolarHBondContact O-CA 3.48Å; P70-Y141 HydrophobicContact CB-CD1 4.01Å; P70-Y141 HydrophobicContact CB-CE1 3.71Å; P70-Y141 HydrophobicContact CG-CE1 4.31Å; A100-Y141 HydrophobicContact CB-CD1 3.62Å; A100-Y141 HydrophobicContact CB-CD2 3.33Å; A100-Y141 HydrophobicContact CB-CE1 3.99Å; A100-Y141 HydrophobicContact CB-CE2 3.77Å; A100-Y141 HydrophobicContact CB-CG 3.29Å; D138-Y141 VanDerWaalsContact CG-OH 3.28Å; D138-Y141 WeakPolarHBondContact O-CE2 3.39Å; D138-Y141 VanDerWaalsContact OD1-CE2 3.28Å; D138-Y141 WeakPolarHBondContact OD1-CE2 3.2Å; D138-Y141 PolarHBondContact OD1-OH 2.8Å; D138-Y141 PolarHBondContact OD2-OH 2.85Å; C139-Y141 PolarHBondContact O-N 2.88Å; Y141-N195 PolarHBondContact O-N 2.93Å
142	L	98.9	Very high	92	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	160.3	171.4	61.6	80	0	0	0	111.3	I69 Y71 I144 I192 T193 I194 A223 W226 I227	I69-L142 HydrophobicContact CB-CD1 3.91Å; I69-L142 HydrophobicContact CB-CG 4.4Å; I69-L142 WeakPolarHBondContact CB-O 3.49Å; I69-L142 HydrophobicContact CD1-CD1 3.94Å; I69-L142 HydrophobicContact CG1-CD1 4.41Å; I69-L142 HydrophobicContact CG2-CD1 4.4Å; I69-L142 PolarHBondContact N-O 3.17Å; I69-L142 PolarHBondContact O-N 3.18Å; Y71-L142 HydrophobicContact CD1-CB 4.07Å; Y71-L142 HydrophobicContact CD1-CD2 3.99Å; Y71-L142 HydrophobicContact CD1-CG 4.1Å; Y71-L142 HydrophobicContact CG-CD2 4.08Å; L142-I144 HydrophobicContact CD1-CD1 3.89Å; L142-I144 HydrophobicContact CD1-CG1 3.6Å; L142-I192 HydrophobicContact CB-CG2 4.26Å; L142-I192 HydrophobicContact CD1-CG2 4.29Å; L142-T193 CarbonylContact C-O 3.53Å; L142-T193 VanDerWaalsContact CA-O 3.31Å; L142-T193 WeakPolarHBondContact CA-O 3.27Å; L142-T193 WeakPolarHBondContact CB-O 3.49Å; L142-I194 HydrophobicContact CB-CB 4.45Å; L142-I194 HydrophobicContact CB-CG2 3.87Å; L142-A223 HydrophobicContact CD2-CB 4.4Å; L142-W226 HydrophobicContact CD1-CE3 4.35Å; L142-W226 HydrophobicContact CD1-CH2 4.34Å; L142-W226 HydrophobicContact CD1-CZ3 3.96Å; L142-W226 HydrophobicContact CD2-CD2 4.23Å; L142-W226 HydrophobicContact CD2-CE3 3.73Å; L142-W226 HydrophobicContact CD2-CZ3 4.18Å; L142-I227 HydrophobicContact CD2-CG1 4.26Å
143	N	98.9	Very high	90.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.8	179.3	-50.7	-57.7	0	0	0	109.2	Y66 L67 G68 F99 Y145 N176 I192 T193	Y66-N143 CarbonylContact O-C 3.1Å; Y66-N143 WeakPolarHBondContact O-CA 3.35Å; L67-N143 WeakPolarHBondContact CA-OD1 3.09Å; L67-N143 HydrophobicContact CD2-CB 3.86Å; G68-N143 PolarHBondContact N-OD1 3.34Å; F99-N143 WeakPolarHBondContact CD1-OD1 3.46Å; F99-N143 HydrophobicContact CE1-CB 4.4Å; N143-Y145 HydrophobicContact CB-CE2 3.95Å; N143-N176 PolarHBondContact ND2-OD1 2.83Å; N143-I192 CarbonylContact O-C 3.59Å; N143-I192 WeakPolarHBondContact O-CA 3.19Å; N143-I192 WeakPolarHBondContact O-CG2 3.35Å; N143-T193 PolarHBondContact N-O 3.09Å; N143-T193 PolarHBondContact ND2-OG1 3.49Å; N143-T193 PolarHBondContact O-N 2.85Å
144	I	98.9	Very high	89.1	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.6	-179	-51.8	178	0	0	0	109.6	Q65 Y66 I69 L142 V146 I190 I192 W226 I231 F234	Q65-I144 WeakPolarHBondContact CA-O 3.31Å; Y66-I144 PolarHBondContact N-O 3.17Å; Y66-I144 PolarHBondContact O-N 2.97Å; I69-I144 HydrophobicContact CD1-CB 4.41Å; I69-I144 HydrophobicContact CD1-CD1 3.53Å; I69-I144 HydrophobicContact CD1-CG1 3.72Å; L142-I144 HydrophobicContact CD1-CD1 3.89Å; L142-I144 HydrophobicContact CD1-CG1 3.6Å; I144-V146 HydrophobicContact CG2-CG2 3.66Å; I144-I190 HydrophobicContact CG2-CG2 3.64Å; I144-I192 HydrophobicContact CG1-CD1 4.42Å; I144-I192 HydrophobicContact CG1-CG1 4.25Å; I144-I192 HydrophobicContact CG2-CG1 4.32Å; I144-W226 HydrophobicContact CD1-CH2 3.92Å; I144-W226 HydrophobicContact CD1-CZ3 3.82Å; I144-I231 HydrophobicContact CD1-CD1 4.15Å; I144-I231 HydrophobicContact CG2-CD1 4.33Å; I144-F234 HydrophobicContact CD1-CD1 4.33Å; I144-F234 HydrophobicContact CD1-CD2 4.08Å; I144-F234 HydrophobicContact CD1-CE1 4.09Å; I144-F234 HydrophobicContact CD1-CE2 3.83Å; I144-F234 HydrophobicContact CD1-CG 4.32Å; I144-F234 HydrophobicContact CD1-CZ 3.83Å; I144-F234 HydrophobicContact CG2-CD1 4.48Å
145	Y	98.8	Very high	87.2	Confident	3 Å²	3	50 Å²	50	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	108.3	177.2	-57.6	-95.3	0	0	0	108.5	Q65 L67 N143 D179 S181 I190 V191 T193	Q65-Y145 HydrophobicContact CG-CD1 3.85Å; Q65-Y145 HydrophobicContact CG-CE1 4.09Å; L67-Y145 HydrophobicContact CD2-CE1 4.32Å; N143-Y145 HydrophobicContact CB-CE2 3.95Å; Y145-D179 WeakPolarHBondContact CE1-OD1 3.5Å; Y145-S181 VanDerWaalsContact CD1-OG 3.24Å; Y145-S181 WeakPolarHBondContact CD1-OG 3.11Å; Y145-I190 WeakPolarHBondContact O-CA 3.33Å; Y145-V191 WeakPolarHBondContact CD2-O 3.09Å; Y145-V191 PolarHBondContact N-O 2.98Å; Y145-V191 PolarHBondContact O-N 3.43Å; Y145-T193 HydrophobicContact CE2-CG2 4.25Å
146	V	98.3	Very high	85.9	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.5	-175	-172.7	0	0	0	0	109.8	V63 E64 Y66 I144 I190 F234	V63-V146 CarbonylContact C-O 3.57Å; V63-V146 WeakPolarHBondContact CA-O 3.45Å; V63-V146 WeakPolarHBondContact CG1-O 3.31Å; E64-V146 HydrophobicContact CB-CB 4.26Å; E64-V146 PolarHBondContact N-O 3.08Å; E64-V146 PolarHBondContact O-N 3.31Å; Y66-V146 HydrophobicContact CD2-CG2 4.42Å; Y66-V146 HydrophobicContact CE2-CG2 4.31Å; I144-V146 HydrophobicContact CG2-CG2 3.66Å; V146-I190 HydrophobicContact CG1-CD1 4.4Å; V146-I190 HydrophobicContact CG1-CG1 4.27Å; V146-I190 HydrophobicContact CG2-CG1 4.5Å; V146-F234 HydrophobicContact CG2-CB 4.05Å; V146-F234 HydrophobicContact CG2-CD1 4.27Å
147	P	96.4	Very high	85.1	Confident	6 Å²	6	54 Å²	54	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	141.5	175.7	30.1	-32.6	0	0	0	110.4	K159 A184 V189	P147-K159 HydrophobicContact CG-CD 3.62Å; P147-A184 WeakPolarHBondContact CB-O 3.11Å; P147-V189 VanDerWaalsContact CD-O 3.25Å; P147-V189 WeakPolarHBondContact CD-O 3.2Å; P147-V189 WeakPolarHBondContact CG-O 3.17Å
148	T	90.9	Very high	84.8	Confident	39 Å²	39	54.8 Å²	54.8	24%	0.239	28%	0.284	C	S	.	.			trans	-88	-15	-176	58	0	0	0	0	114.5	P62 E64	P62-T148 WeakPolarHBondContact CG-OG1 3.47Å; P62-T148 WeakPolarHBondContact O-CB 3.49Å; P62-T148 WeakPolarHBondContact O-CG2 3.25Å; P62-T148 PolarHBondContact O-N 2.82Å; P62-T148 PolarHBondContact O-OG1 2.84Å; E64-T148 HydrophobicContact CG-CG2 3.77Å
149	E	80.6	Confident	84.7	Confident	107 Å²	107	52.3 Å²	52.3	50%	0.5	27%	0.271	S	S	.	.	S	Bend	trans	-75.5	136.3	177.7	-65.8	-171.7	175.6	0	0	110.6	K159 N188	E149-K159 PolarHBondContact O-NZ 2.81Å; E149-N188 PolarHBondContact O-OD1 3.27Å
150	D	72.2	Confident	84.7	Confident	114 Å²	114	52.3 Å²	52.3	61%	0.61	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-80.9	137.4	171.4	-67.5	-41.6	0	0	0	109.1	K235	D150-K235 IonicContact OD1-NZ 3.02Å
151	D	66.4	Low	84.7	Confident	40 Å²	40	52.2 Å²	52.2	21%	0.214	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-82.1	130.1	171.7	-148.3	-47.4	0	0	0	109.5	H153 D154 N188	D151-H153 PolarHBondContact O-N 3.37Å; D151-H153 WeakPolarHBondContact OD1-CB 3.44Å; D151-H153 IonicContact OD1-CD2 3.51Å; D151-H153 PolarHBondContact OD1-CD2 3.09Å; D151-H153 IonicContact OD1-CG 3.38Å; D151-H153 PolarHBondContact OD1-N 3.35Å; D151-D154 HydrophobicContact CB-CB 4.12Å; D151-D154 PolarHBondContact O-N 2.98Å; D151-N188 WeakPolarHBondContact CA-ND2 3.18Å; D151-N188 WeakPolarHBondContact CB-ND2 3.35Å; D151-N188 VanDerWaalsContact CG-ND2 3.28Å; D151-N188 PolarHBondContact OD2-ND2 3.31Å
152	I	61.4	Low	84.7	Confident	168 Å²	168	51.4 Å²	51.4	86%	0.862	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.6	173.9	-53.6	171.3	0	0	0	110.2
153	H	60	Low	84.7	Confident	158 Å²	158	51.4 Å²	51.4	73%	0.731	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-10.9	-178.7	-61.5	-67.7	0	0	0	115	D151	D151-H153 PolarHBondContact O-N 3.37Å; D151-H153 WeakPolarHBondContact OD1-CB 3.44Å; D151-H153 IonicContact OD1-CD2 3.51Å; D151-H153 PolarHBondContact OD1-CD2 3.09Å; D151-H153 IonicContact OD1-CG 3.38Å; D151-H153 PolarHBondContact OD1-N 3.35Å
154	D	62.8	Low	84.7	Confident	35 Å²	35	51.6 Å²	51.6	19%	0.187	27%	0.268	C	S	.	.			trans	-95.7	98	176.5	-85	-43.9	0	0	0	110.3	D151 N156 G157 L158 R240	D151-D154 HydrophobicContact CB-CB 4.12Å; D151-D154 PolarHBondContact O-N 2.98Å; D154-N156 PolarHBondContact O-N 2.89Å; D154-N156 VanDerWaalsContact O-N 3.07Å; D154-G157 PolarHBondContact O-N 3.24Å; D154-L158 VanDerWaalsContact CG-O 3.24Å; D154-R240 IonicContact OD1-CZ 3.72Å; D154-R240 IonicContact OD1-NH1 2.82Å; D154-R240 PolarHBondContact OD1-NH1 3.23Å; D154-R240 IonicContact OD1-NH2 3.84Å; D154-R240 PolarHBondContact OD1-NH2 2.76Å; D154-R240 IonicContact OD2-NH2 3.76Å
155	E	57.6	Low	84.7	Confident	193 Å²	193	51.6 Å²	51.6	90%	0.902	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28	-176.4	-67.3	-172.9	161.2	0	0	114.2
156	N	69.5	Low	84.6	Confident	142 Å²	142	51.5 Å²	51.5	76%	0.759	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-1.7	-179.2	-63.9	-27	0	0	0	113.5	D154 L158	D154-N156 PolarHBondContact O-N 2.89Å; D154-N156 VanDerWaalsContact O-N 3.07Å; N156-L158 PolarHBondContact O-N 3.05Å
157	G	81.8	Confident	84.4	Confident	32 Å²	32	51.5 Å²	51.5	33%	0.33	27%	0.269	S	S	.	.			trans	65.9	9.6	-176.1	0	0	0	0	0	115.5	D154	D154-G157 PolarHBondContact O-N 3.24Å
158	L	93.1	Very high	84	Confident	33 Å²	33	51.4 Å²	51.4	17%	0.173	27%	0.269	C	S	.	.			trans	-89.8	139	174.2	-62.3	179.4	0	0	0	110.3	D154 N156 K235 D237 R240	D154-L158 VanDerWaalsContact CG-O 3.24Å; N156-L158 PolarHBondContact O-N 3.05Å; L158-K235 CarbonylContact C-O 3.56Å; L158-K235 VanDerWaalsContact CA-O 3.3Å; L158-K235 WeakPolarHBondContact CA-O 3.49Å; L158-D237 HydrophobicContact CB-CB 3.96Å; L158-R240 PolarHBondContact O-NH2 2.98Å
159	K	95.8	Very high	84.1	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	148.7	-174.7	-58.7	-179	-175.2	-66.6	0	112.1	P147 E149 N188 I190 K235 G236 D237	P147-K159 HydrophobicContact CG-CD 3.62Å; E149-K159 PolarHBondContact O-NZ 2.81Å; K159-N188 PolarHBondContact NZ-OD1 3.43Å; K159-I190 HydrophobicContact CB-CG1 4.25Å; K159-I190 HydrophobicContact CD-CG1 4.46Å; K159-K235 PolarHBondContact N-O 2.85Å; K159-G236 CarbonylContact O-C 3.55Å; K159-G236 WeakPolarHBondContact O-CA 3.45Å; K159-D237 PolarHBondContact O-N 3.24Å
160	P	97.8	Very high	84.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	152.1	166.9	-11.4	20.9	0	0	0	111.5	V189 I190 R240 K525	P160-V189 HydrophobicContact CB-CG1 4.03Å; P160-V189 HydrophobicContact CG-CG1 3.99Å; P160-I190 PolarHBondContact O-N 3.19Å; P160-R240 HydrophobicContact CB-CB 4.34Å; P160-K525 HydrophobicContact CB-CG 4.44Å; P160-K525 HydrophobicContact CG-CB 4.2Å; P160-K525 HydrophobicContact CG-CG 3.45Å; P160-K525 VanDerWaalsContact CG-CG 3.45Å
161	V	98.8	Very high	85.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.3	-178.3	-175.1	0	0	0	0	109	V163 I190 I192 I227 I231 R240 V241 T242	V161-V163 HydrophobicContact CG1-CG2 4.01Å; V161-I190 CarbonylContact C-O 3.5Å; V161-I190 WeakPolarHBondContact CA-O 3.47Å; V161-I190 HydrophobicContact CG2-CB 4.41Å; V161-I192 HydrophobicContact CG1-CD1 3.6Å; V161-I192 HydrophobicContact CG1-CG1 4.1Å; V161-I227 HydrophobicContact CG1-CG2 4.23Å; V161-I231 HydrophobicContact CG1-CG1 4.18Å; V161-I231 HydrophobicContact CG2-CG1 3.71Å; V161-I231 HydrophobicContact CG2-CG2 4.2Å; V161-R240 PolarHBondContact N-O 3.25Å; V161-V241 HydrophobicContact CB-CG2 4.22Å; V161-V241 CarbonylContact O-C 3.53Å; V161-V241 WeakPolarHBondContact O-CA 3.33Å; V161-T242 PolarHBondContact O-N 2.96Å
162	M	98.9	Very high	87.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.4	175	-63.8	-171.1	70.9	0	0	109.4	V189 I190 V191 I192 T242 F244 I270 W520 T521 A524	M162-V189 HydrophobicContact CG-CG2 4.27Å; M162-V189 HydrophobicContact SD-CG2 3.95Å; M162-I190 PolarHBondContact N-O 3.45Å; M162-V191 CarbonylContact O-C 3.45Å; M162-V191 WeakPolarHBondContact O-CA 3.37Å; M162-I192 PolarHBondContact O-N 2.74Å; M162-T242 CarbonylContact C-O 3.57Å; M162-T242 WeakPolarHBondContact CA-O 3.17Å; M162-F244 HydrophobicContact CB-CD1 4.23Å; M162-F244 HydrophobicContact CB-CE1 3.79Å; M162-F244 HydrophobicContact CE-CD1 4.28Å; M162-F244 HydrophobicContact CE-CE1 4.3Å; M162-F244 HydrophobicContact CE-CG 4.47Å; M162-F244 HydrophobicContact CE-CZ 4.47Å; M162-I270 HydrophobicContact CE-CD1 3.96Å; M162-W520 HydrophobicContact CE-CB 4.32Å; M162-T521 HydrophobicContact SD-CG2 4.06Å; M162-A524 HydrophobicContact CE-CB 4.25Å; M162-A524 HydrophobicContact CG-CB 3.61Å; M162-A524 HydrophobicContact SD-CB 3.7Å
163	V	98.9	Very high	88.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	111	-175.8	-171.9	0	0	0	0	109.2	V161 I192 I194 L224 I227 V241 T242 I243 F244	V161-V163 HydrophobicContact CG1-CG2 4.01Å; V163-I192 CarbonylContact C-O 3.51Å; V163-I192 WeakPolarHBondContact CA-O 3.42Å; V163-I192 HydrophobicContact CG1-CB 4.37Å; V163-I192 HydrophobicContact CG1-CG2 4.41Å; V163-I192 HydrophobicContact CG2-CB 4.35Å; V163-I192 HydrophobicContact CG2-CD1 4.4Å; V163-I194 HydrophobicContact CG1-CG2 4.08Å; V163-L224 HydrophobicContact CB-CD2 4.47Å; V163-L224 HydrophobicContact CG1-CD2 4.28Å; V163-L224 HydrophobicContact CG2-CD2 4.37Å; V163-I227 HydrophobicContact CB-CD1 4.49Å; V163-I227 HydrophobicContact CG1-CD1 3.84Å; V163-I227 HydrophobicContact CG2-CD1 3.77Å; V163-V241 HydrophobicContact CG2-CG1 3.85Å; V163-T242 PolarHBondContact N-O 3.32Å; V163-I243 HydrophobicContact CB-CG2 4.27Å; V163-I243 WeakPolarHBondContact O-CA 3.24Å; V163-F244 VanDerWaalsContact O-CD1 3.31Å; V163-F244 WeakPolarHBondContact O-CD1 3.35Å; V163-F244 PolarHBondContact O-N 2.93Å
164	Y	98.9	Very high	90.7	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.8	-179.5	-172.2	-112.3	0	0	0	111.7	H166 I178 I192 T193 I194 F244 F490	Y164-H166 HydrophobicContact CD1-CB 4.49Å; Y164-H166 HydrophobicContact CE1-CB 3.95Å; Y164-I178 HydrophobicContact CD1-CB 4.4Å; Y164-I178 HydrophobicContact CD1-CG1 4.19Å; Y164-I178 HydrophobicContact CD1-CG2 4.36Å; Y164-I178 HydrophobicContact CE1-CB 4.36Å; Y164-I178 HydrophobicContact CE1-CG1 3.65Å; Y164-I178 HydrophobicContact CE1-CG2 4.46Å; Y164-I192 PolarHBondContact N-O 3.42Å; Y164-T193 HydrophobicContact CD1-CG2 4.49Å; Y164-I194 PolarHBondContact O-N 3.13Å; Y164-F244 CarbonylContact C-O 3.5Å; Y164-F244 VanDerWaalsContact CA-O 3.28Å; Y164-F244 WeakPolarHBondContact CA-O 3.21Å; Y164-F244 HydrophobicContact CD2-CD1 4.26Å; Y164-F244 AromaticContact CD2-CD2 3.65Å; Y164-F244 HydrophobicContact CD2-CD2 3.65Å; Y164-F244 HydrophobicContact CD2-CE1 4.06Å; Y164-F244 AromaticContact CD2-CE2 3.44Å; Y164-F244 HydrophobicContact CD2-CE2 3.44Å; Y164-F244 VanDerWaalsContact CD2-CE2 3.44Å; Y164-F244 HydrophobicContact CD2-CG 4.05Å; Y164-F244 AromaticContact CD2-CZ 3.65Å; Y164-F244 HydrophobicContact CD2-CZ 3.65Å; Y164-F244 WeakPolarHBondContact CD2-O 3.45Å; Y164-F244 HydrophobicContact CE2-CD2 4.21Å; Y164-F244 HydrophobicContact CE2-CE2 4.11Å; Y164-F244 HydrophobicContact CG-CE1 4.3Å; Y164-F244 HydrophobicContact CG-CE2 4.26Å; Y164-F244 HydrophobicContact CG-CZ 4.04Å; Y164-F490 HydrophobicContact CD1-CZ 4.12Å; Y164-F490 HydrophobicContact CD2-CE2 4.12Å; Y164-F490 AromaticContact CD2-CZ 3.58Å; Y164-F490 HydrophobicContact CD2-CZ 3.58Å; Y164-F490 HydrophobicContact CE1-CE2 4.45Å; Y164-F490 HydrophobicContact CE1-CZ 4.35Å; Y164-F490 AromaticContact CE2-CE2 3.83Å; Y164-F490 HydrophobicContact CE2-CE2 3.83Å; Y164-F490 AromaticContact CE2-CZ 3.8Å; Y164-F490 HydrophobicContact CE2-CZ 3.8Å; Y164-F490 HydrophobicContact CG-CE2 4.49Å; Y164-F490 AromaticContact CG-CZ 3.72Å; Y164-F490 HydrophobicContact CG-CZ 3.72Å
165	I	98.9	Very high	92.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.5	172.2	-50.5	-174.8	0	0	0	107.3	I194 Y196 Q220 F244 G245 G249 C252 V253 L256	I165-I194 HydrophobicContact CG1-CD1 4.03Å; I165-Y196 HydrophobicContact CG2-CD1 4.37Å; I165-Y196 HydrophobicContact CG2-CE1 3.83Å; I165-Q220 HydrophobicContact CG2-CG 4.41Å; I165-F244 PolarHBondContact N-O 2.03Å; I165-G245 VanDerWaalsContact O-CA 3.25Å; I165-G245 WeakPolarHBondContact O-CA 3.34Å; I165-G249 WeakPolarHBondContact O-CA 3.48Å; I165-C252 HydrophobicContact CG2-CB 3.94Å; I165-V253 HydrophobicContact CB-CG2 4.48Å; I165-V253 HydrophobicContact CD1-CG2 3.99Å; I165-V253 HydrophobicContact CG1-CG2 4.39Å; I165-L256 HydrophobicContact CD1-CD1 3.51Å
166	H	98.4	Very high	94.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	9%	0.085	C	C	.	.			trans	-71.3	155.1	-178.7	70	86.9	0	0	0	112.1	Y164 T174 G175 M177 I194 Y196 G249	Y164-H166 HydrophobicContact CD1-CB 4.49Å; Y164-H166 HydrophobicContact CE1-CB 3.95Å; H166-T174 PolarHBondContact CE1-N 2.85Å; H166-G175 PolarHBondContact CD2-N 3.45Å; H166-M177 HydrophobicContact CB-CE 3.63Å; H166-I194 PolarHBondContact CD2-O 3.04Å; H166-Y196 AromaticContact CD2-CE1 3.77Å; H166-Y196 AromaticContact CE1-CE1 3.78Å; H166-Y196 AromaticContact CE1-CZ 3.98Å; H166-Y196 AromaticContact NE2-CD1 3.91Å; H166-Y196 AromaticContact NE2-CE1 3.52Å; H166-Y196 PolarHBondContact O-OH 3.3Å; H166-G249 WeakPolarHBondContact O-CA 3.5Å
167	G	93.9	Very high	95.5	Very high	8 Å²	8	7.7 Å²	7.7	8%	0.082	5%	0.052	C	C	.	.			trans	-91.4	-158.2	167.8	0	0	0	0	0	112.5
168	G	88.2	Confident	96.2	Very high	3 Å²	3	6.3 Å²	6.3	3%	0.031	4%	0.037	C	C	.	.	S	Bend	trans	120.6	40.8	-175.2	0	0	0	0	0	112.6	Y170 V171 E172	G168-Y170 PolarHBondContact O-N 3.43Å; G168-V171 PolarHBondContact O-N 3.4Å; G168-E172 WeakPolarHBondContact CA-O 3.24Å; G168-E172 VanDerWaalsContact O-CD 3.25Å; G168-E172 WeakPolarHBondContact O-CG 3.26Å; G168-E172 PolarHBondContact O-N 3.47Å
169	S	91.6	Very high	96.4	Very high	1 Å²	1	8 Å²	8	1%	0.007	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	21.2	178.4	-42.1	0	0	0	0	115.7	V171 E172	S169-V171 PolarHBondContact O-N 2.92Å; S169-E172 PolarHBondContact OG-OE1 3.04Å
170	Y	96.8	Very high	96.5	Very high	1 Å²	1	7.8 Å²	7.8	0%	0.004	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-3.3	-169.5	-45.8	-67.8	0	0	0	116.2	G168 L198 G199 F203 A248 S251 C252 W280 A281 I331 P335	G168-Y170 PolarHBondContact O-N 3.43Å; Y170-L198 CarbonylContact O-C 3.36Å; Y170-L198 WeakPolarHBondContact O-CA 3.19Å; Y170-G199 PolarHBondContact O-N 2.95Å; Y170-F203 HydrophobicContact CD1-CZ 4.23Å; Y170-F203 HydrophobicContact CG-CE2 4.5Å; Y170-A248 HydrophobicContact CD1-CB 4.04Å; Y170-A248 HydrophobicContact CE1-CB 3.86Å; Y170-A248 WeakPolarHBondContact CE1-O 3.35Å; Y170-A248 HydrophobicContact CE2-CB 4.43Å; Y170-A248 HydrophobicContact CG-CB 4.4Å; Y170-S251 WeakPolarHBondContact OH-CB 2.97Å; Y170-C252 VanDerWaalsContact CE1-SG 3.6Å; Y170-W280 WeakPolarHBondContact CE2-O 3.42Å; Y170-A281 PolarHBondContact OH-O 3.07Å; Y170-I331 HydrophobicContact CD2-CD1 3.77Å; Y170-I331 HydrophobicContact CD2-CG2 4.49Å; Y170-I331 HydrophobicContact CE2-CD1 3.7Å; Y170-P335 HydrophobicContact CD1-CG 4.44Å; Y170-P335 HydrophobicContact CE1-CG 3.96Å; Y170-P335 HydrophobicContact CE2-CG 4.34Å
171	V	94.6	Very high	96.5	Very high	49 Å²	49	7.8 Å²	7.8	30%	0.297	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-23.9	-172.4	-179.5	0	0	0	0	111.8	Q105 G168 S169	Q105-V171 WeakPolarHBondContact CB-O 3.33Å; G168-V171 PolarHBondContact O-N 3.4Å; S169-V171 PolarHBondContact O-N 2.92Å
172	E	94.6	Very high	96.5	Very high	2 Å²	2	8 Å²	8	1%	0.009	5%	0.047	C	C	.	.	S	Bend	trans	-137.5	174.8	-178.3	52.3	-86.1	175.9	0	0	112.7	L107 L112 L117 F121 G168 S169	L107-E172 HydrophobicContact CD2-CB 3.58Å; L107-E172 HydrophobicContact CD2-CG 4.12Å; L112-E172 HydrophobicContact CD2-CG 4.5Å; L117-E172 HydrophobicContact CD2-CG 4.09Å; L117-E172 WeakPolarHBondContact CD2-OE1 3.42Å; F121-E172 HydrophobicContact CE1-CG 4.22Å; F121-E172 HydrophobicContact CZ-CB 4.29Å; F121-E172 HydrophobicContact CZ-CG 4.04Å; G168-E172 WeakPolarHBondContact CA-O 3.24Å; G168-E172 VanDerWaalsContact O-CD 3.25Å; G168-E172 WeakPolarHBondContact O-CG 3.26Å; G168-E172 PolarHBondContact O-N 3.47Å; S169-E172 PolarHBondContact OG-OE1 3.04Å
173	G	95.6	Very high	96.5	Very high	1 Å²	1	8 Å²	8	1%	0.01	5%	0.047	C	C	.	.			trans	105.1	172.9	178.2	0	0	0	0	0	113.5	Q105 L198	Q105-G173 PolarHBondContact NE2-O 3.37Å; G173-L198 WeakPolarHBondContact O-CD1 3.15Å
174	T	98.3	Very high	96.5	Very high	1 Å²	1	8 Å²	8	1%	0.006	5%	0.047	C	C	.	.			trans	-158.8	146.9	174.7	171.7	0	0	0	0	109.8	V102 V132 H166 N176 M177 N195	V102-T174 HydrophobicContact CG1-CG2 4Å; V102-T174 WeakPolarHBondContact CG1-OG1 3.45Å; V132-T174 HydrophobicContact CG1-CG2 4.04Å; H166-T174 PolarHBondContact CE1-N 2.85Å; T174-N176 HydrophobicContact CG2-CB 4.05Å; T174-N176 PolarHBondContact O-N 2.57Å; T174-N176 WeakPolarHBondContact OG1-CB 3.28Å; T174-N176 PolarHBondContact OG1-N 3.44Å; T174-N176 PolarHBondContact OG1-ND2 2.87Å; T174-M177 HydrophobicContact CG2-CB 4.21Å; T174-M177 WeakPolarHBondContact O-CE 3.45Å; T174-M177 WeakPolarHBondContact O-CG 3.4Å; T174-M177 PolarHBondContact O-N 2.83Å; T174-N195 WeakPolarHBondContact CA-OD1 3.34Å; T174-N195 WeakPolarHBondContact CB-OD1 3.48Å; T174-N195 PolarHBondContact OG1-OD1 2.84Å
175	G	97.9	Very high	96.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-61.9	-17.8	169.1	0	0	0	0	0	113.3	H166 M177 I178 T193 N195	H166-G175 PolarHBondContact CD2-N 3.45Å; G175-M177 VanDerWaalsContact C-N 3.31Å; G175-M177 PolarHBondContact O-N 2.91Å; G175-I178 PolarHBondContact O-N 2.97Å; G175-T193 VanDerWaalsContact O-CB 3.26Å; G175-T193 WeakPolarHBondContact O-CB 3.42Å; G175-T193 PolarHBondContact O-OG1 2.95Å; G175-N195 PolarHBondContact N-OD1 3.06Å
176	N	97.6	Very high	96.3	Very high	9 Å²	9	10.5 Å²	10.5	5%	0.048	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-72.6	-21.6	-177.5	-56.6	-9.1	0	0	0	113.1	F99 A100 V102 N143 T174 I178 N195	F99-N176 HydrophobicContact CD1-CB 3.89Å; F99-N176 WeakPolarHBondContact CD1-OD1 3.33Å; F99-N176 HydrophobicContact CD2-CB 4.26Å; F99-N176 HydrophobicContact CE1-CB 4.04Å; F99-N176 HydrophobicContact CE2-CB 4.4Å; F99-N176 HydrophobicContact CG-CB 4.01Å; F99-N176 HydrophobicContact CZ-CB 4.3Å; A100-N176 PolarHBondContact O-ND2 2.96Å; V102-N176 WeakPolarHBondContact CG1-ND2 3.29Å; N143-N176 PolarHBondContact ND2-OD1 2.83Å; T174-N176 HydrophobicContact CG2-CB 4.05Å; T174-N176 PolarHBondContact O-N 2.57Å; T174-N176 WeakPolarHBondContact OG1-CB 3.28Å; T174-N176 PolarHBondContact OG1-N 3.44Å; T174-N176 PolarHBondContact OG1-ND2 2.87Å; N176-I178 PolarHBondContact O-N 2.85Å; N176-N195 PolarHBondContact OD1-ND2 2.78Å; N176-N195 VanDerWaalsContact OD1-ND2 3.11Å
177	M	95.8	Very high	96.2	Very high	15 Å²	15	10.5 Å²	10.5	7%	0.074	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-73.2	-13.8	-179.7	75.6	-162.7	169.2	0	0	112.8	W120 F121 Y131 H166 T174 G175 L500	W120-M177 HydrophobicContact CH2-CE 3.88Å; W120-M177 HydrophobicContact CH2-CG 4.38Å; W120-M177 HydrophobicContact CH2-SD 3.78Å; W120-M177 HydrophobicContact CZ3-SD 4.19Å; F121-M177 HydrophobicContact CD2-SD 4.34Å; F121-M177 HydrophobicContact CE2-SD 4.23Å; Y131-M177 HydrophobicContact CD1-CB 4.4Å; Y131-M177 HydrophobicContact CG-CB 4.48Å; H166-M177 HydrophobicContact CB-CE 3.63Å; T174-M177 HydrophobicContact CG2-CB 4.21Å; T174-M177 WeakPolarHBondContact O-CE 3.45Å; T174-M177 WeakPolarHBondContact O-CG 3.4Å; T174-M177 PolarHBondContact O-N 2.83Å; G175-M177 VanDerWaalsContact C-N 3.31Å; G175-M177 PolarHBondContact O-N 2.91Å; M177-L500 HydrophobicContact CB-CD2 3.97Å; M177-L500 HydrophobicContact CG-CD2 4.49Å; M177-L500 WeakPolarHBondContact O-CD2 3.36Å
178	I	95.9	Very high	96.3	Very high	2 Å²	2	11 Å²	11	1%	0.01	6%	0.059	C	C	.	.	S	Bend	trans	-111.1	114.8	-176.4	-60.4	-54	0	0	0	109.4	Y164 G175 N176 G180 T193 V486 F490 F501	Y164-I178 HydrophobicContact CD1-CB 4.4Å; Y164-I178 HydrophobicContact CD1-CG1 4.19Å; Y164-I178 HydrophobicContact CD1-CG2 4.36Å; Y164-I178 HydrophobicContact CE1-CB 4.36Å; Y164-I178 HydrophobicContact CE1-CG1 3.65Å; Y164-I178 HydrophobicContact CE1-CG2 4.46Å; G175-I178 PolarHBondContact O-N 2.97Å; N176-I178 PolarHBondContact O-N 2.85Å; I178-G180 PolarHBondContact O-N 3.1Å; I178-T193 HydrophobicContact CB-CG2 4.43Å; I178-T193 HydrophobicContact CG2-CG2 4.46Å; I178-V486 HydrophobicContact CD1-CG1 4Å; I178-F490 HydrophobicContact CG2-CD1 3.39Å; I178-F490 HydrophobicContact CG2-CD2 3.68Å; I178-F490 HydrophobicContact CG2-CE1 3.24Å; I178-F490 HydrophobicContact CG2-CE2 3.54Å; I178-F490 HydrophobicContact CG2-CG 3.62Å; I178-F490 HydrophobicContact CG2-CZ 3.33Å; I178-F501 HydrophobicContact CD1-CZ 4.2Å
179	D	96.8	Very high	96.8	Very high	68 Å²	68	10.8 Å²	10.8	36%	0.364	6%	0.057	S	C	.	.			trans	-83	110.5	173	-170.6	-11.5	0	0	0	110.5	Y145 S181	Y145-D179 WeakPolarHBondContact CE1-OD1 3.5Å; D179-S181 PolarHBondContact O-N 2.79Å; D179-S181 WeakPolarHBondContact OD1-CB 3.11Å; D179-S181 PolarHBondContact OD1-N 3.1Å; D179-S181 PolarHBondContact OD1-OG 2.96Å
180	G	98.1	Very high	97.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.			trans	-76.5	-3.7	178	0	0	0	0	0	114.8	I178 I182 A184	I178-G180 PolarHBondContact O-N 3.1Å; G180-I182 PolarHBondContact O-N 2.99Å; G180-A184 VanDerWaalsContact O-CB 3.25Å; G180-A184 WeakPolarHBondContact O-CB 3.4Å; G180-A184 PolarHBondContact O-N 3.14Å
181	S	98.3	Very high	97.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66.5	-41.5	-167.6	-52.3	0	0	0	0	113.7	V63 Q65 Y145 D179 A184 S185	V63-S181 WeakPolarHBondContact CG2-O 3.29Å; Q65-S181 PolarHBondContact NE2-OG 2.9Å; Y145-S181 VanDerWaalsContact CD1-OG 3.24Å; Y145-S181 WeakPolarHBondContact CD1-OG 3.11Å; D179-S181 PolarHBondContact O-N 2.79Å; D179-S181 WeakPolarHBondContact OD1-CB 3.11Å; D179-S181 PolarHBondContact OD1-N 3.1Å; D179-S181 PolarHBondContact OD1-OG 2.96Å; S181-A184 PolarHBondContact O-N 3.04Å; S181-S185 WeakPolarHBondContact O-CB 3.36Å; S181-S185 PolarHBondContact O-N 2.79Å
182	I	98.3	Very high	97.4	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.021	4%	0.043	C	C	.	.	H	α-helix	trans	-68	-47.4	-179.2	-60.4	170.3	0	0	0	110.1	L60 G180 A184 S185 Y186 G491 M494 I495 M517	L60-I182 HydrophobicContact CD1-CG1 4.46Å; L60-I182 HydrophobicContact CD1-CG2 3.82Å; G180-I182 PolarHBondContact O-N 2.99Å; I182-A184 VanDerWaalsContact C-N 3.29Å; I182-A184 PolarHBondContact O-N 2.85Å; I182-S185 PolarHBondContact O-N 3.06Å; I182-Y186 WeakPolarHBondContact O-CB 3.32Å; I182-Y186 PolarHBondContact O-N 3.4Å; I182-G491 WeakPolarHBondContact CD1-O 3.21Å; I182-M494 HydrophobicContact CG2-CB 4.43Å; I182-M494 HydrophobicContact CG2-SD 3.93Å; I182-I495 HydrophobicContact CD1-CB 4.23Å; I182-I495 HydrophobicContact CD1-CD1 3.86Å; I182-I495 HydrophobicContact CD1-CG1 3.72Å; I182-I495 HydrophobicContact CD1-CG2 3.56Å; I182-I495 HydrophobicContact CG1-CG2 4.29Å; I182-M517 HydrophobicContact CG2-CE 4.17Å; I182-M517 HydrophobicContact CG2-SD 4.24Å
183	L	98.6	Very high	97.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60	-41.2	176.8	178.6	60.5	0	0	0	111.5	G187 V191 F244 F490 M517 T521	L183-G187 WeakPolarHBondContact O-CA 3.37Å; L183-G187 PolarHBondContact O-N 3.34Å; L183-V191 HydrophobicContact CB-CG2 4.07Å; L183-V191 HydrophobicContact CD2-CG2 3.91Å; L183-V191 HydrophobicContact CG-CG2 3.8Å; L183-F244 HydrophobicContact CD2-CE2 4.48Å; L183-F244 HydrophobicContact CD2-CZ 4.07Å; L183-F490 HydrophobicContact CB-CD1 4.49Å; L183-F490 HydrophobicContact CD2-CD1 4.17Å; L183-F490 HydrophobicContact CD2-CE1 4.06Å; L183-M517 HydrophobicContact CB-SD 4.32Å; L183-M517 HydrophobicContact CD1-CB 4.13Å; L183-M517 HydrophobicContact CD1-CG 3.87Å; L183-M517 HydrophobicContact CD1-SD 3.99Å; L183-T521 HydrophobicContact CD1-CG2 3.56Å
184	A	98.4	Very high	97.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.3	-51	176.6	0	0	0	0	0	111.9	P147 G180 S181 I182 N188 V189 V191	P147-A184 WeakPolarHBondContact CB-O 3.11Å; G180-A184 VanDerWaalsContact O-CB 3.25Å; G180-A184 WeakPolarHBondContact O-CB 3.4Å; G180-A184 PolarHBondContact O-N 3.14Å; S181-A184 PolarHBondContact O-N 3.04Å; I182-A184 VanDerWaalsContact C-N 3.29Å; I182-A184 PolarHBondContact O-N 2.85Å; A184-N188 VanDerWaalsContact O-CA 3.26Å; A184-N188 WeakPolarHBondContact O-CA 3.46Å; A184-N188 PolarHBondContact O-N 3Å; A184-V189 WeakPolarHBondContact CA-O 3.49Å; A184-V189 WeakPolarHBondContact CB-O 3.38Å; A184-V189 PolarHBondContact O-N 2.9Å; A184-V191 HydrophobicContact CB-CB 4.35Å; A184-V191 HydrophobicContact CB-CG2 3.9Å
185	S	97.4	Very high	97.8	Very high	10 Å²	10	8.3 Å²	8.3	7%	0.07	4%	0.042	C	C	.	.	H	α-helix	trans	-65.5	-51	-179.1	-174.4	0	0	0	0	112.1	G61 S181 I182	G61-S185 PolarHBondContact N-OG 3.18Å; G61-S185 VanDerWaalsContact N-OG 3.1Å; G61-S185 PolarHBondContact O-OG 2.81Å; S181-S185 WeakPolarHBondContact O-CB 3.36Å; S181-S185 PolarHBondContact O-N 2.79Å; I182-S185 PolarHBondContact O-N 3.06Å
186	Y	96.9	Very high	97.9	Very high	46 Å²	46	8.4 Å²	8.4	18%	0.18	4%	0.042	C	C	.	.	H	α-helix	trans	-64.3	-48.6	-179.8	178.5	-88	0	0	0	112.3	L60 I182 N188 M494 A514 M517 T518 I540	L60-Y186 HydrophobicContact CD2-CD2 4.34Å; I182-Y186 WeakPolarHBondContact O-CB 3.32Å; I182-Y186 PolarHBondContact O-N 3.4Å; Y186-N188 VanDerWaalsContact C-N 3.28Å; Y186-N188 PolarHBondContact O-N 3Å; Y186-M494 HydrophobicContact CD2-CE 3.77Å; Y186-M494 HydrophobicContact CD2-SD 4.17Å; Y186-M494 HydrophobicContact CE2-CE 3.83Å; Y186-M494 HydrophobicContact CG-CE 4.5Å; Y186-A514 HydrophobicContact CE2-CB 4.11Å; Y186-A514 PolarHBondContact OH-O 2.77Å; Y186-A514 VanDerWaalsContact OH-O 3.09Å; Y186-M517 HydrophobicContact CD1-CB 3.56Å; Y186-M517 HydrophobicContact CD1-CE 3.79Å; Y186-M517 HydrophobicContact CD1-CG 4.48Å; Y186-M517 HydrophobicContact CD1-SD 4.19Å; Y186-M517 HydrophobicContact CD2-CE 3.99Å; Y186-M517 HydrophobicContact CE1-CB 3.67Å; Y186-M517 HydrophobicContact CE1-CE 4.33Å; Y186-M517 HydrophobicContact CE2-CE 4.48Å; Y186-M517 HydrophobicContact CG-CE 3.62Å; Y186-M517 HydrophobicContact CG-SD 4.31Å; Y186-T518 WeakPolarHBondContact CE1-OG1 3.35Å; Y186-T518 PolarHBondContact OH-OG1 2.89Å; Y186-I540 HydrophobicContact CD2-CG1 4.15Å; Y186-I540 HydrophobicContact CE2-CG1 4.04Å; Y186-I540 HydrophobicContact CE2-CG2 3.92Å
187	G	96.4	Very high	97.9	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.01	4%	0.041	C	C	.	.	H	α-helix	trans	-76.9	-16.3	-175.7	0	0	0	0	0	113.9	L183 V189 K525	L183-G187 WeakPolarHBondContact O-CA 3.37Å; L183-G187 PolarHBondContact O-N 3.34Å; G187-V189 VanDerWaalsContact C-N 3.26Å; G187-V189 PolarHBondContact O-N 3.44Å; G187-K525 WeakPolarHBondContact O-CE 3.35Å; G187-K525 PolarHBondContact O-NZ 2.79Å
188	N	96.4	Very high	98.1	Very high	17 Å²	17	7.8 Å²	7.8	9%	0.091	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	45.4	-167.1	-161.4	18.2	0	0	0	112.7	E149 D151 K159 A184 Y186	E149-N188 PolarHBondContact O-OD1 3.27Å; D151-N188 WeakPolarHBondContact CA-ND2 3.18Å; D151-N188 WeakPolarHBondContact CB-ND2 3.35Å; D151-N188 VanDerWaalsContact CG-ND2 3.28Å; D151-N188 PolarHBondContact OD2-ND2 3.31Å; K159-N188 PolarHBondContact NZ-OD1 3.43Å; A184-N188 VanDerWaalsContact O-CA 3.26Å; A184-N188 WeakPolarHBondContact O-CA 3.46Å; A184-N188 PolarHBondContact O-N 3Å; Y186-N188 VanDerWaalsContact C-N 3.28Å; Y186-N188 PolarHBondContact O-N 3Å
189	V	98	Very high	98.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-125.2	155.2	179.4	-62.9	0	0	0	0	109.7	P147 P160 M162 A184 G187 V191 T521	P147-V189 VanDerWaalsContact CD-O 3.25Å; P147-V189 WeakPolarHBondContact CD-O 3.2Å; P147-V189 WeakPolarHBondContact CG-O 3.17Å; P160-V189 HydrophobicContact CB-CG1 4.03Å; P160-V189 HydrophobicContact CG-CG1 3.99Å; M162-V189 HydrophobicContact CG-CG2 4.27Å; M162-V189 HydrophobicContact SD-CG2 3.95Å; A184-V189 WeakPolarHBondContact CA-O 3.49Å; A184-V189 WeakPolarHBondContact CB-O 3.38Å; A184-V189 PolarHBondContact O-N 2.9Å; G187-V189 VanDerWaalsContact C-N 3.26Å; G187-V189 PolarHBondContact O-N 3.44Å; V189-V191 HydrophobicContact CG2-CG2 4.08Å; V189-T521 HydrophobicContact CG1-CG2 4.34Å; V189-T521 HydrophobicContact CG2-CG2 4.03Å
190	I	98.8	Very high	98.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.9	168.4	-64.2	176.8	0	0	0	108.1	I144 Y145 V146 K159 P160 V161 M162 I192 I231 F234	I144-I190 HydrophobicContact CG2-CG2 3.64Å; Y145-I190 WeakPolarHBondContact O-CA 3.33Å; V146-I190 HydrophobicContact CG1-CD1 4.4Å; V146-I190 HydrophobicContact CG1-CG1 4.27Å; V146-I190 HydrophobicContact CG2-CG1 4.5Å; K159-I190 HydrophobicContact CB-CG1 4.25Å; K159-I190 HydrophobicContact CD-CG1 4.46Å; P160-I190 PolarHBondContact O-N 3.19Å; V161-I190 CarbonylContact C-O 3.5Å; V161-I190 WeakPolarHBondContact CA-O 3.47Å; V161-I190 HydrophobicContact CG2-CB 4.41Å; M162-I190 PolarHBondContact N-O 3.45Å; I190-I192 HydrophobicContact CG2-CD1 4.5Å; I190-I192 HydrophobicContact CG2-CG1 4.06Å; I190-I231 HydrophobicContact CD1-CG1 4.43Å; I190-I231 HydrophobicContact CG2-CD1 4.17Å; I190-F234 HydrophobicContact CD1-CB 4.3Å; I190-F234 VanDerWaalsContact CD1-O 3.24Å; I190-F234 WeakPolarHBondContact CD1-O 3.31Å
191	V	98.9	Very high	98.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.8	173.2	-178.6	0	0	0	0	108.8	Y145 M162 L183 A184 V189	Y145-V191 WeakPolarHBondContact CD2-O 3.09Å; Y145-V191 PolarHBondContact N-O 2.98Å; Y145-V191 PolarHBondContact O-N 3.43Å; M162-V191 CarbonylContact O-C 3.45Å; M162-V191 WeakPolarHBondContact O-CA 3.37Å; L183-V191 HydrophobicContact CB-CG2 4.07Å; L183-V191 HydrophobicContact CD2-CG2 3.91Å; L183-V191 HydrophobicContact CG-CG2 3.8Å; A184-V191 HydrophobicContact CB-CB 4.35Å; A184-V191 HydrophobicContact CB-CG2 3.9Å; V189-V191 HydrophobicContact CG2-CG2 4.08Å
192	I	98.9	Very high	98.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.9	176.7	-55.4	-177.9	0	0	0	108.4	L142 N143 I144 V161 M162 V163 Y164 I190 I194 I227 I231	L142-I192 HydrophobicContact CB-CG2 4.26Å; L142-I192 HydrophobicContact CD1-CG2 4.29Å; N143-I192 CarbonylContact O-C 3.59Å; N143-I192 WeakPolarHBondContact O-CA 3.19Å; N143-I192 WeakPolarHBondContact O-CG2 3.35Å; I144-I192 HydrophobicContact CG1-CD1 4.42Å; I144-I192 HydrophobicContact CG1-CG1 4.25Å; I144-I192 HydrophobicContact CG2-CG1 4.32Å; V161-I192 HydrophobicContact CG1-CD1 3.6Å; V161-I192 HydrophobicContact CG1-CG1 4.1Å; M162-I192 PolarHBondContact O-N 2.74Å; V163-I192 CarbonylContact C-O 3.51Å; V163-I192 WeakPolarHBondContact CA-O 3.42Å; V163-I192 HydrophobicContact CG1-CB 4.37Å; V163-I192 HydrophobicContact CG1-CG2 4.41Å; V163-I192 HydrophobicContact CG2-CB 4.35Å; V163-I192 HydrophobicContact CG2-CD1 4.4Å; Y164-I192 PolarHBondContact N-O 3.42Å; I190-I192 HydrophobicContact CG2-CD1 4.5Å; I190-I192 HydrophobicContact CG2-CG1 4.06Å; I192-I194 HydrophobicContact CG2-CG2 4.12Å; I192-I227 HydrophobicContact CD1-CD1 3.84Å; I192-I227 HydrophobicContact CD1-CG1 3.77Å; I192-I227 HydrophobicContact CD1-CG2 3.97Å; I192-I227 HydrophobicContact CG2-CD1 4.08Å; I192-I231 HydrophobicContact CD1-CD1 3.6Å; I192-I231 HydrophobicContact CD1-CG1 4.29Å
193	T	98.9	Very high	98.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141	167.5	68.3	0	0	0	0	109.2	L142 N143 Y145 Y164 G175 I178	L142-T193 CarbonylContact C-O 3.53Å; L142-T193 VanDerWaalsContact CA-O 3.31Å; L142-T193 WeakPolarHBondContact CA-O 3.27Å; L142-T193 WeakPolarHBondContact CB-O 3.49Å; N143-T193 PolarHBondContact N-O 3.09Å; N143-T193 PolarHBondContact ND2-OG1 3.49Å; N143-T193 PolarHBondContact O-N 2.85Å; Y145-T193 HydrophobicContact CE2-CG2 4.25Å; Y164-T193 HydrophobicContact CD1-CG2 4.49Å; G175-T193 VanDerWaalsContact O-CB 3.26Å; G175-T193 WeakPolarHBondContact O-CB 3.42Å; G175-T193 PolarHBondContact O-OG1 2.95Å; I178-T193 HydrophobicContact CB-CG2 4.43Å; I178-T193 HydrophobicContact CG2-CG2 4.46Å
194	I	98.9	Very high	98.3	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.005	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.2	-177.1	67	174.5	0	0	0	110.8	L142 V163 Y164 I165 H166 I192 Q220 A223	L142-I194 HydrophobicContact CB-CB 4.45Å; L142-I194 HydrophobicContact CB-CG2 3.87Å; V163-I194 HydrophobicContact CG1-CG2 4.08Å; Y164-I194 PolarHBondContact O-N 3.13Å; I165-I194 HydrophobicContact CG1-CD1 4.03Å; H166-I194 PolarHBondContact CD2-O 3.04Å; I192-I194 HydrophobicContact CG2-CG2 4.12Å; I194-Q220 HydrophobicContact CD1-CB 4.08Å; I194-Q220 HydrophobicContact CD1-CG 3.82Å; I194-A223 HydrophobicContact CD1-CB 4.35Å; I194-A223 HydrophobicContact CG2-CB 4.03Å
195	N	98.9	Very high	98.3	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.011	3%	0.028	C	C	.	.			trans	-104.2	136.5	162.1	-68.7	-55	0	0	0	108.5	Y71 C139 Y141 T174 G175 N176	Y71-N195 WeakPolarHBondContact CE1-O 3.29Å; Y71-N195 PolarHBondContact OH-O 2.83Å; C139-N195 WeakPolarHBondContact O-CB 3.35Å; Y141-N195 PolarHBondContact O-N 2.93Å; T174-N195 WeakPolarHBondContact CA-OD1 3.34Å; T174-N195 WeakPolarHBondContact CB-OD1 3.48Å; T174-N195 PolarHBondContact OG1-OD1 2.84Å; G175-N195 PolarHBondContact N-OD1 3.06Å; N176-N195 PolarHBondContact OD1-ND2 2.78Å; N176-N195 VanDerWaalsContact OD1-ND2 3.11Å
196	Y	98.9	Very high	98.3	Very high	1 Å²	1	5.4 Å²	5.4	0%	0.004	3%	0.028	C	C	.	.			trans	-131	157.3	175.7	59	-88	0	0	0	109.2	C103 I165 H166 L198 F203 Q220	C103-Y196 VanDerWaalsContact SG-C 3.58Å; C103-Y196 PolarHBondContact SG-O 2.8Å; I165-Y196 HydrophobicContact CG2-CD1 4.37Å; I165-Y196 HydrophobicContact CG2-CE1 3.83Å; H166-Y196 AromaticContact CD2-CE1 3.77Å; H166-Y196 AromaticContact CE1-CE1 3.78Å; H166-Y196 AromaticContact CE1-CZ 3.98Å; H166-Y196 AromaticContact NE2-CD1 3.91Å; H166-Y196 AromaticContact NE2-CE1 3.52Å; H166-Y196 PolarHBondContact O-OH 3.3Å; Y196-L198 HydrophobicContact CD2-CD2 3.98Å; Y196-L198 HydrophobicContact CE2-CD2 3.47Å; Y196-L198 VanDerWaalsContact CE2-CD2 3.47Å; Y196-L198 WeakPolarHBondContact O-CG 3.41Å; Y196-L198 PolarHBondContact O-N 2.79Å; Y196-F203 HydrophobicContact CD2-CZ 4.49Å; Y196-F203 HydrophobicContact CE2-CE2 4.38Å; Y196-F203 HydrophobicContact CE2-CZ 4.23Å; Y196-Q220 HydrophobicContact CD1-CG 3.94Å; Y196-Q220 HydrophobicContact CG-CG 3.86Å
197	R	98.9	Very high	98.4	Very high	8 Å²	8	6 Å²	6	3%	0.03	5%	0.048	C	C	.	.			trans	-59.3	139.1	-179.9	-77.4	172.2	-77.7	-179.4	-4.8	111.4	P75 Q82 L140 G202 D219	P75-R197 HydrophobicContact CG-CG 4.11Å; Q82-R197 PolarHBondContact O-NH1 2.91Å; Q82-R197 PolarHBondContact O-NH2 3.37Å; L140-R197 HydrophobicContact CD2-CG 4.13Å; R197-G202 VanDerWaalsContact CB-CA 3.45Å; R197-G202 WeakPolarHBondContact O-CA 3.5Å; R197-D219 WeakPolarHBondContact CB-OD2 3.18Å; R197-D219 VanDerWaalsContact CG-OD2 3.25Å; R197-D219 WeakPolarHBondContact CG-OD2 3.12Å; R197-D219 IonicContact CZ-OD1 3.75Å; R197-D219 IonicContact CZ-OD2 3.97Å; R197-D219 PolarHBondContact N-OD2 3.21Å; R197-D219 IonicContact NE-OD1 2.66Å; R197-D219 PolarHBondContact NE-OD1 3.18Å; R197-D219 IonicContact NE-OD2 2.73Å; R197-D219 PolarHBondContact NE-OD2 3.16Å; R197-D219 IonicContact NH2-OD1 3.76Å; R197-D219 PolarHBondContact NH2-OD1 3.18Å; R197-D219 IonicContact NH2-OD2 3.89Å
198	L	98.6	Very high	98.4	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.016	6%	0.062	C	C	.	.			trans	-113.7	161.4	-175.5	-58.1	174.1	0	0	0	112	C103 Y170 G173 Y196 V200 L201 G202	C103-L198 HydrophobicContact CB-CD1 4.33Å; C103-L198 HydrophobicContact CB-CG 4.28Å; Y170-L198 CarbonylContact O-C 3.36Å; Y170-L198 WeakPolarHBondContact O-CA 3.19Å; G173-L198 WeakPolarHBondContact O-CD1 3.15Å; Y196-L198 HydrophobicContact CD2-CD2 3.98Å; Y196-L198 HydrophobicContact CE2-CD2 3.47Å; Y196-L198 VanDerWaalsContact CE2-CD2 3.47Å; Y196-L198 WeakPolarHBondContact O-CG 3.41Å; Y196-L198 PolarHBondContact O-N 2.79Å; L198-V200 PolarHBondContact O-N 3.32Å; L198-L201 PolarHBondContact O-N 2.87Å; L198-L201 VanDerWaalsContact O-N 3.13Å; L198-G202 PolarHBondContact O-N 2.9Å
199	G	97.4	Very high	98.5	Very high	5 Å²	5	15 Å²	15	5%	0.052	9%	0.091	C	C	.	.	H	α-helix	trans	48.8	-130.3	172.5	0	0	0	0	0	112.9	Y170 L201 G202 F203	Y170-G199 PolarHBondContact O-N 2.95Å; G199-L201 VanDerWaalsContact C-N 3.29Å; G199-L201 PolarHBondContact O-N 3.22Å; G199-G202 PolarHBondContact O-N 3.34Å; G199-F203 WeakPolarHBondContact O-CB 3.38Å; G199-F203 PolarHBondContact O-N 3.03Å
200	V	98.2	Very high	98.5	Very high	10 Å²	10	15.8 Å²	15.8	6%	0.061	10%	0.098	C	C	.	.	H	α-helix	trans	-53	-47	179.2	177.5	0	0	0	0	111.5	F81 L198 G202 L204 L293 L319 F333	F81-V200 HydrophobicContact CE1-CG1 4.27Å; F81-V200 WeakPolarHBondContact CE1-O 3.39Å; F81-V200 HydrophobicContact CZ-CG1 4.39Å; L198-V200 PolarHBondContact O-N 3.32Å; V200-G202 VanDerWaalsContact C-N 3.31Å; V200-G202 PolarHBondContact O-N 3.25Å; V200-L204 HydrophobicContact CG1-CB 4.32Å; V200-L204 HydrophobicContact CG1-CD1 3.85Å; V200-L204 WeakPolarHBondContact O-CB 3.43Å; V200-L204 PolarHBondContact O-N 3.46Å; V200-L293 HydrophobicContact CB-CD2 4.31Å; V200-L293 HydrophobicContact CG1-CD2 3.44Å; V200-L293 VanDerWaalsContact CG1-CD2 3.44Å; V200-L293 HydrophobicContact CG2-CD2 3.82Å; V200-L319 HydrophobicContact CG1-CB 4.31Å; V200-F333 HydrophobicContact CG2-CD1 4.45Å; V200-F333 HydrophobicContact CG2-CD2 3.83Å; V200-F333 HydrophobicContact CG2-CE1 4.35Å; V200-F333 HydrophobicContact CG2-CE2 3.71Å; V200-F333 HydrophobicContact CG2-CG 4.21Å; V200-F333 HydrophobicContact CG2-CZ 3.99Å
201	L	98.7	Very high	98.5	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-70.8	-29.1	-173.5	-58.3	176.6	0	0	0	112.7	R80 F81 P104 E137 L198 G199 L319	R80-L201 HydrophobicContact CG-CD2 4.13Å; F81-L201 HydrophobicContact CE1-CD2 4.18Å; F81-L201 HydrophobicContact CZ-CD2 4.35Å; P104-L201 HydrophobicContact CB-CD1 3.97Å; P104-L201 HydrophobicContact CG-CD1 3.69Å; E137-L201 HydrophobicContact CG-CD1 4.06Å; E137-L201 WeakPolarHBondContact OE1-CD2 3.29Å; L198-L201 PolarHBondContact O-N 2.87Å; L198-L201 VanDerWaalsContact O-N 3.13Å; G199-L201 VanDerWaalsContact C-N 3.29Å; G199-L201 PolarHBondContact O-N 3.22Å; L201-L319 HydrophobicContact CD2-CD1 4.07Å
202	G	98.6	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-88.9	-27.3	178.9	0	0	0	0	0	114.5	R197 L198 G199 V200 Y215 G216	R197-G202 VanDerWaalsContact CB-CA 3.45Å; R197-G202 WeakPolarHBondContact O-CA 3.5Å; L198-G202 PolarHBondContact O-N 2.9Å; G199-G202 PolarHBondContact O-N 3.34Å; V200-G202 VanDerWaalsContact C-N 3.31Å; V200-G202 PolarHBondContact O-N 3.25Å; G202-Y215 CarbonylContact O-C 3.52Å; G202-Y215 WeakPolarHBondContact O-CA 3.26Å; G202-Y215 VanDerWaalsContact O-CB 3.29Å; G202-Y215 WeakPolarHBondContact O-CB 3.34Å; G202-Y215 PolarHBondContact O-N 2.99Å; G202-G216 PolarHBondContact O-N 2.9Å
203	F	98.8	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-140.8	5.7	-161.7	-60.7	-77.5	0	0	0	115.4	Y170 Y196 G199 S205 L217 F333 G334 P335	Y170-F203 HydrophobicContact CD1-CZ 4.23Å; Y170-F203 HydrophobicContact CG-CE2 4.5Å; Y196-F203 HydrophobicContact CD2-CZ 4.49Å; Y196-F203 HydrophobicContact CE2-CE2 4.38Å; Y196-F203 HydrophobicContact CE2-CZ 4.23Å; G199-F203 WeakPolarHBondContact O-CB 3.38Å; G199-F203 PolarHBondContact O-N 3.03Å; F203-S205 PolarHBondContact O-N 3.42Å; F203-L217 HydrophobicContact CE1-CG 4.33Å; F203-F333 HydrophobicContact CB-CB 4.3Å; F203-G334 VanDerWaalsContact CB-CA 3.49Å; F203-G334 VanDerWaalsContact CB-N 3.31Å; F203-G334 WeakPolarHBondContact CB-O 3.34Å; F203-G334 VanDerWaalsContact CG-CA 3.42Å; F203-P335 HydrophobicContact CD1-CG 4.47Å; F203-P335 HydrophobicContact CE1-CG 4.04Å
204	L	98.7	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.			trans	-57.9	127.9	172.9	-179.1	146.5	0	0	0	110.8	F81 V200 A211 G213 Y215 T290 L293 L311	F81-L204 HydrophobicContact CD1-CB 4.14Å; F81-L204 HydrophobicContact CD1-CD2 4.47Å; F81-L204 HydrophobicContact CE1-CB 3.98Å; F81-L204 HydrophobicContact CE1-CD1 4.28Å; F81-L204 HydrophobicContact CZ-CD1 4.25Å; V200-L204 HydrophobicContact CG1-CB 4.32Å; V200-L204 HydrophobicContact CG1-CD1 3.85Å; V200-L204 WeakPolarHBondContact O-CB 3.43Å; V200-L204 PolarHBondContact O-N 3.46Å; L204-A211 HydrophobicContact CD2-CB 3.72Å; L204-G213 WeakPolarHBondContact O-CA 3.18Å; L204-Y215 VanDerWaalsContact O-CE2 3.24Å; L204-Y215 WeakPolarHBondContact O-CE2 3.46Å; L204-T290 HydrophobicContact CD1-CG2 4.04Å; L204-T290 HydrophobicContact CD2-CG2 3.96Å; L204-T290 HydrophobicContact CG-CG2 3.9Å; L204-L293 HydrophobicContact CD1-CD2 3.92Å; L204-L311 HydrophobicContact CD1-CD1 3.61Å
205	S	98.8	Very high	98.4	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.028	12%	0.115	C	C	.	.			trans	-138.9	138.1	175.9	173.7	0	0	0	0	111	F203 G207 A211 K212 P286 T290	F203-S205 PolarHBondContact O-N 3.42Å; S205-G207 VanDerWaalsContact C-N 3.32Å; S205-G207 PolarHBondContact OG-N 3.32Å; S205-G207 VanDerWaalsContact OG-N 3.16Å; S205-A211 CarbonylContact C-O 3.3Å; S205-A211 WeakPolarHBondContact CA-O 3.31Å; S205-A211 PolarHBondContact OG-O 3.35Å; S205-K212 WeakPolarHBondContact CB-O 3.33Å; S205-K212 PolarHBondContact OG-O 3.32Å; S205-P286 CarbonylContact O-C 3.43Å; S205-T290 WeakPolarHBondContact O-CB 3.29Å; S205-T290 PolarHBondContact O-OG1 2.84Å
206	T	98.6	Very high	98.4	Very high	11 Å²	11	19.7 Å²	19.7	7%	0.067	12%	0.115	C	C	.	.			trans	-86.5	-6.5	174.2	45.7	0	0	0	0	112.2	D208 A210 A211 A287 T290 T304 V308	T206-D208 VanDerWaalsContact CB-OD1 3.31Å; T206-D208 WeakPolarHBondContact CB-OD1 3.26Å; T206-D208 PolarHBondContact O-N 2.9Å; T206-D208 PolarHBondContact OG1-OD1 2.83Å; T206-A210 HydrophobicContact CG2-CB 4.43Å; T206-A211 HydrophobicContact CG2-CB 4.18Å; T206-A211 PolarHBondContact N-O 2.74Å; T206-A211 PolarHBondContact OG1-N 2.85Å; T206-A211 PolarHBondContact OG1-O 3.45Å; T206-A287 WeakPolarHBondContact O-CB 3.31Å; T206-T290 HydrophobicContact CG2-CG2 4.04Å; T206-T304 HydrophobicContact CG2-CG2 4.22Å; T206-V308 HydrophobicContact CG2-CG2 3.81Å
207	G	97.6	Very high	98.4	Very high	59 Å²	59	19.7 Å²	19.7	61%	0.608	12%	0.115	S	C	*	.	S	Bend	trans	71.7	12.6	-171.4	0	0	0	0	0	113.4	S205	S205-G207 VanDerWaalsContact C-N 3.32Å; S205-G207 PolarHBondContact OG-N 3.32Å; S205-G207 VanDerWaalsContact OG-N 3.16Å
208	D	97.9	Very high	98.4	Very high	58 Å²	58	20.4 Å²	20.4	31%	0.31	12%	0.119	S	C	.	.	S	Bend	trans	-141.7	-164.9	176.5	68.3	19.8	0	0	0	110.5	T206 A210 T304	T206-D208 VanDerWaalsContact CB-OD1 3.31Å; T206-D208 WeakPolarHBondContact CB-OD1 3.26Å; T206-D208 PolarHBondContact O-N 2.9Å; T206-D208 PolarHBondContact OG1-OD1 2.83Å; D208-A210 VanDerWaalsContact C-N 3.33Å; D208-A210 PolarHBondContact O-N 3.45Å; D208-A210 VanDerWaalsContact OD1-CB 3.32Å; D208-A210 WeakPolarHBondContact OD1-CB 3.26Å; D208-A210 PolarHBondContact OD1-N 2.89Å; D208-T304 WeakPolarHBondContact OD2-CB 3.2Å; D208-T304 VanDerWaalsContact OD2-CG2 3.31Å; D208-T304 WeakPolarHBondContact OD2-CG2 3.48Å; D208-T304 PolarHBondContact OD2-OG1 3.48Å
209	Q	97.8	Very high	98.5	Very high	147 Å²	147	20.3 Å²	20.3	69%	0.687	12%	0.119	S	C	*	.	S	Bend	trans	-77.5	-11.5	-175.5	-60.4	-61.2	-64.5	0	0	114.6
210	A	97.9	Very high	98.5	Very high	18 Å²	18	20 Å²	20	15%	0.149	12%	0.116	C	C	.	.	S	Bend	trans	-68.4	-42.1	-177.3	0	0	0	0	0	112	T206 D208 I305 V308	T206-A210 HydrophobicContact CG2-CB 4.43Å; D208-A210 VanDerWaalsContact C-N 3.33Å; D208-A210 PolarHBondContact O-N 3.45Å; D208-A210 VanDerWaalsContact OD1-CB 3.32Å; D208-A210 WeakPolarHBondContact OD1-CB 3.26Å; D208-A210 PolarHBondContact OD1-N 2.89Å; A210-I305 HydrophobicContact CB-CG1 3.96Å; A210-V308 HydrophobicContact CB-CG2 4.11Å
211	A	98.4	Very high	98.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	11%	0.114	C	C	.	.			trans	-145	104.7	169.4	0	0	0	0	0	108.4	L204 S205 T206 G213 Y215 V308	L204-A211 HydrophobicContact CD2-CB 3.72Å; S205-A211 CarbonylContact C-O 3.3Å; S205-A211 WeakPolarHBondContact CA-O 3.31Å; S205-A211 PolarHBondContact OG-O 3.35Å; T206-A211 HydrophobicContact CG2-CB 4.18Å; T206-A211 PolarHBondContact N-O 2.74Å; T206-A211 PolarHBondContact OG1-N 2.85Å; T206-A211 PolarHBondContact OG1-O 3.45Å; A211-G213 PolarHBondContact O-N 3.06Å; A211-Y215 VanDerWaalsContact CA-OH 3.23Å; A211-Y215 WeakPolarHBondContact CA-OH 3.4Å; A211-Y215 VanDerWaalsContact CB-OH 3.3Å; A211-Y215 WeakPolarHBondContact CB-OH 3.28Å; A211-V308 HydrophobicContact CB-CG1 4.46Å; A211-V308 HydrophobicContact CB-CG2 3.7Å
212	K	98.4	Very high	98.6	Very high	77 Å²	77	20 Å²	20	34%	0.335	12%	0.115	S	C	.	.			trans	-69.9	-32.9	-175.9	-64.7	-175.8	178.3	-172.1	0	112.9	S205 Y215 V336 D340	S205-K212 WeakPolarHBondContact CB-O 3.33Å; S205-K212 PolarHBondContact OG-O 3.32Å; K212-Y215 PolarHBondContact N-OH 3.24Å; K212-V336 WeakPolarHBondContact O-CG2 3.26Å; K212-D340 IonicContact NZ-OD2 3.72Å
213	G	98.5	Very high	98.6	Very high	1 Å²	1	20 Å²	20	1%	0.01	12%	0.115	C	C	.	.			trans	97.8	-162.3	-173.7	0	0	0	0	0	112.8	L204 A211 Y215	L204-G213 WeakPolarHBondContact O-CA 3.18Å; A211-G213 PolarHBondContact O-N 3.06Å; G213-Y215 PolarHBondContact N-OH 2.92Å; G213-Y215 WeakPolarHBondContact O-CD1 3.32Å; G213-Y215 WeakPolarHBondContact O-CE1 3.3Å; G213-Y215 PolarHBondContact O-N 2.83Å
214	N	98.8	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.			trans	57	19.4	176.1	-63.7	-27.4	0	0	0	116.1	G216 L217 L218 P335 V336 D338 V341	N214-G216 VanDerWaalsContact C-N 3.29Å; N214-G216 PolarHBondContact O-N 3.06Å; N214-L217 HydrophobicContact CB-CB 4.43Å; N214-L217 HydrophobicContact CB-CD1 4.31Å; N214-L217 PolarHBondContact O-N 2.91Å; N214-L218 WeakPolarHBondContact O-CG 3.48Å; N214-L218 PolarHBondContact O-N 3.22Å; N214-P335 WeakPolarHBondContact OD1-CA 3.29Å; N214-V336 PolarHBondContact ND2-O 2.86Å; N214-V336 PolarHBondContact OD1-N 2.93Å; N214-V336 PolarHBondContact OD1-O 3.49Å; N214-D338 PolarHBondContact ND2-OD1 3.02Å; N214-D338 PolarHBondContact ND2-OD2 3.19Å; N214-D338 VanDerWaalsContact ND2-OD2 3.14Å; N214-V341 HydrophobicContact CB-CB 4.23Å; N214-V341 HydrophobicContact CB-CG1 4.32Å; N214-V341 HydrophobicContact CB-CG2 4.34Å
215	Y	98.9	Very high	98.6	Very high	6 Å²	6	24.4 Å²	24.4	2%	0.024	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-37.6	179.6	-43.9	-61.4	0	0	0	112.5	F81 G202 L204 A211 K212 G213 L217 L218 D219	F81-Y215 VanDerWaalsContact C-CZ 3.45Å; F81-Y215 HydrophobicContact CB-CD2 4.48Å; F81-Y215 HydrophobicContact CB-CE2 3.71Å; F81-Y215 HydrophobicContact CD1-CD2 4.44Å; F81-Y215 HydrophobicContact CD1-CE2 4.05Å; F81-Y215 HydrophobicContact CG-CE2 4.36Å; F81-Y215 WeakPolarHBondContact O-CE1 3.2Å; F81-Y215 PolarHBondContact O-OH 3.05Å; G202-Y215 CarbonylContact O-C 3.52Å; G202-Y215 WeakPolarHBondContact O-CA 3.26Å; G202-Y215 VanDerWaalsContact O-CB 3.29Å; G202-Y215 WeakPolarHBondContact O-CB 3.34Å; G202-Y215 PolarHBondContact O-N 2.99Å; L204-Y215 VanDerWaalsContact O-CE2 3.24Å; L204-Y215 WeakPolarHBondContact O-CE2 3.46Å; A211-Y215 VanDerWaalsContact CA-OH 3.23Å; A211-Y215 WeakPolarHBondContact CA-OH 3.4Å; A211-Y215 VanDerWaalsContact CB-OH 3.3Å; A211-Y215 WeakPolarHBondContact CB-OH 3.28Å; K212-Y215 PolarHBondContact N-OH 3.24Å; G213-Y215 PolarHBondContact N-OH 2.92Å; G213-Y215 WeakPolarHBondContact O-CD1 3.32Å; G213-Y215 WeakPolarHBondContact O-CE1 3.3Å; G213-Y215 PolarHBondContact O-N 2.83Å; Y215-L217 VanDerWaalsContact C-N 3.35Å; Y215-L217 PolarHBondContact O-N 3.33Å; Y215-L218 PolarHBondContact O-N 2.59Å; Y215-D219 WeakPolarHBondContact O-CB 3.34Å; Y215-D219 PolarHBondContact O-N 2.67Å
216	G	98.8	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.8	-35.4	173.6	0	0	0	0	0	113.2	G202 N214 D219 Q220	G202-G216 PolarHBondContact O-N 2.9Å; N214-G216 VanDerWaalsContact C-N 3.29Å; N214-G216 PolarHBondContact O-N 3.06Å; G216-D219 WeakPolarHBondContact O-CB 3.43Å; G216-Q220 VanDerWaalsContact O-CG 3.29Å; G216-Q220 WeakPolarHBondContact O-CG 3.43Å; G216-Q220 PolarHBondContact O-N 2.99Å
217	L	98.9	Very high	98.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-70.7	-41.4	172.6	-66.3	179.8	0	0	0	111.2	F203 N214 Y215 D219 Q220 I221 C252 L255 P335 V341 I342	F203-L217 HydrophobicContact CE1-CG 4.33Å; N214-L217 HydrophobicContact CB-CB 4.43Å; N214-L217 HydrophobicContact CB-CD1 4.31Å; N214-L217 PolarHBondContact O-N 2.91Å; Y215-L217 VanDerWaalsContact C-N 3.35Å; Y215-L217 PolarHBondContact O-N 3.33Å; L217-D219 VanDerWaalsContact C-N 3.26Å; L217-D219 PolarHBondContact O-N 3.4Å; L217-Q220 WeakPolarHBondContact O-CB 3.27Å; L217-Q220 PolarHBondContact O-N 3.44Å; L217-Q220 VanDerWaalsContact O-N 3.1Å; L217-I221 WeakPolarHBondContact O-CG1 3.38Å; L217-I221 PolarHBondContact O-N 3.15Å; L217-C252 HydrophobicContact CD2-CB 4.27Å; L217-L255 HydrophobicContact CD1-CD1 4.45Å; L217-P335 HydrophobicContact CD1-CB 4.11Å; L217-P335 HydrophobicContact CD1-CG 4.29Å; L217-V341 HydrophobicContact CB-CG1 4.37Å; L217-V341 HydrophobicContact CD1-CG1 4.4Å; L217-I342 HydrophobicContact CD1-CD1 4.21Å; L217-I342 HydrophobicContact CD1-CG1 4.18Å
218	L	98.9	Very high	98.6	Very high	23 Å²	23	25 Å²	25	12%	0.12	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-33.9	175.9	-71.9	166.5	0	0	0	112.1	P83 P84 N214 Y215 I221 Q222 V341	P83-L218 HydrophobicContact CB-CD1 4.08Å; P83-L218 HydrophobicContact CG-CD1 4.08Å; P84-L218 HydrophobicContact CG-CB 4.24Å; P84-L218 WeakPolarHBondContact CG-O 3.32Å; N214-L218 WeakPolarHBondContact O-CG 3.48Å; N214-L218 PolarHBondContact O-N 3.22Å; Y215-L218 PolarHBondContact O-N 2.59Å; L218-I221 HydrophobicContact CD2-CD1 4.33Å; L218-I221 PolarHBondContact O-N 3.42Å; L218-Q222 WeakPolarHBondContact O-CB 3.5Å; L218-Q222 PolarHBondContact O-N 3.07Å; L218-V341 HydrophobicContact CD1-CG2 4.17Å; L218-V341 HydrophobicContact CD2-CG2 3.7Å; L218-V341 HydrophobicContact CG-CG2 3.92Å
219	D	98.9	Very high	98.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-43.8	171.3	-68.9	-17.6	0	0	0	111.5	Y71 P84 L140 R197 Y215 G216 L217 Q222 A223	Y71-D219 WeakPolarHBondContact CE2-O 3.48Å; Y71-D219 WeakPolarHBondContact OH-CB 3.38Å; Y71-D219 PolarHBondContact OH-O 2.94Å; P84-D219 WeakPolarHBondContact CB-OD1 3.34Å; P84-D219 WeakPolarHBondContact CG-OD1 3.41Å; L140-D219 HydrophobicContact CD2-CB 4.19Å; L140-D219 WeakPolarHBondContact CD2-OD2 3.49Å; R197-D219 WeakPolarHBondContact CB-OD2 3.18Å; R197-D219 VanDerWaalsContact CG-OD2 3.25Å; R197-D219 WeakPolarHBondContact CG-OD2 3.12Å; R197-D219 IonicContact CZ-OD1 3.75Å; R197-D219 IonicContact CZ-OD2 3.97Å; R197-D219 PolarHBondContact N-OD2 3.21Å; R197-D219 IonicContact NE-OD1 2.66Å; R197-D219 PolarHBondContact NE-OD1 3.18Å; R197-D219 IonicContact NE-OD2 2.73Å; R197-D219 PolarHBondContact NE-OD2 3.16Å; R197-D219 IonicContact NH2-OD1 3.76Å; R197-D219 PolarHBondContact NH2-OD1 3.18Å; R197-D219 IonicContact NH2-OD2 3.89Å; Y215-D219 WeakPolarHBondContact O-CB 3.34Å; Y215-D219 PolarHBondContact O-N 2.67Å; G216-D219 WeakPolarHBondContact O-CB 3.43Å; L217-D219 VanDerWaalsContact C-N 3.26Å; L217-D219 PolarHBondContact O-N 3.4Å; D219-Q222 PolarHBondContact O-N 3.46Å; D219-A223 PolarHBondContact O-N 3.2Å
220	Q	98.9	Very high	98.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-43.6	176.1	-62.3	165.3	10.4	0	0	111.1	I165 I194 Y196 G216 L217 Q222 A223 L224 C252 L256	I165-Q220 HydrophobicContact CG2-CG 4.41Å; I194-Q220 HydrophobicContact CD1-CB 4.08Å; I194-Q220 HydrophobicContact CD1-CG 3.82Å; Y196-Q220 HydrophobicContact CD1-CG 3.94Å; Y196-Q220 HydrophobicContact CG-CG 3.86Å; G216-Q220 VanDerWaalsContact O-CG 3.29Å; G216-Q220 WeakPolarHBondContact O-CG 3.43Å; G216-Q220 PolarHBondContact O-N 2.99Å; L217-Q220 WeakPolarHBondContact O-CB 3.27Å; L217-Q220 PolarHBondContact O-N 3.44Å; L217-Q220 VanDerWaalsContact O-N 3.1Å; Q220-Q222 VanDerWaalsContact C-N 3.33Å; Q220-Q222 PolarHBondContact O-N 3.49Å; Q220-A223 WeakPolarHBondContact O-CB 3.44Å; Q220-A223 PolarHBondContact O-N 2.98Å; Q220-L224 VanDerWaalsContact O-CG 3.32Å; Q220-L224 WeakPolarHBondContact O-CG 3.42Å; Q220-L224 PolarHBondContact O-N 3.11Å; Q220-C252 PolarHBondContact NE2-SG 2.86Å; Q220-L256 HydrophobicContact CB-CD1 4.24Å
221	I	98.9	Very high	98.7	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-59.8	-43.7	174.2	-69.5	159	0	0	0	110.8	L217 L218 A223 L224 R225 L256 L265 V341	L217-I221 WeakPolarHBondContact O-CG1 3.38Å; L217-I221 PolarHBondContact O-N 3.15Å; L218-I221 HydrophobicContact CD2-CD1 4.33Å; L218-I221 PolarHBondContact O-N 3.42Å; I221-A223 PolarHBondContact O-N 3.06Å; I221-L224 WeakPolarHBondContact O-CB 3.2Å; I221-L224 PolarHBondContact O-N 3.15Å; I221-R225 WeakPolarHBondContact O-CG 3.32Å; I221-R225 PolarHBondContact O-N 3.26Å; I221-L256 HydrophobicContact CD1-CD2 3.98Å; I221-L256 HydrophobicContact CG1-CD2 3.55Å; I221-L265 HydrophobicContact CG2-CD1 3.96Å; I221-V341 HydrophobicContact CD1-CG1 4.29Å
222	Q	98.9	Very high	98.6	Very high	11 Å²	11	25.1 Å²	25.1	5%	0.051	11%	0.112	C	C	.	.	H	α-helix	trans	-66.2	-37.1	178.2	-178.9	53.1	42.4	0	0	111.9	Y71 A72 P84 L218 D219 Q220 R225 W226	Y71-Q222 HydrophobicContact CD2-CB 4.44Å; Y71-Q222 HydrophobicContact CD2-CG 4.14Å; Y71-Q222 HydrophobicContact CE2-CB 4.34Å; Y71-Q222 HydrophobicContact CE2-CG 4.39Å; Y71-Q222 PolarHBondContact O-NE2 2.76Å; A72-Q222 HydrophobicContact CB-CG 4.02Å; P84-Q222 HydrophobicContact CB-CB 4.23Å; P84-Q222 HydrophobicContact CB-CG 4.2Å; P84-Q222 HydrophobicContact CG-CB 3.63Å; P84-Q222 HydrophobicContact CG-CG 4.09Å; L218-Q222 WeakPolarHBondContact O-CB 3.5Å; L218-Q222 PolarHBondContact O-N 3.07Å; D219-Q222 PolarHBondContact O-N 3.46Å; Q220-Q222 VanDerWaalsContact C-N 3.33Å; Q220-Q222 PolarHBondContact O-N 3.49Å; Q222-R225 PolarHBondContact O-N 3.2Å; Q222-W226 PolarHBondContact O-N 3.46Å
223	A	98.9	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-43.4	171	0	0	0	0	0	111.3	Y71 L142 I194 D219 Q220 I221 R225 W226 I227	Y71-A223 HydrophobicContact CD1-CB 4.17Å; Y71-A223 HydrophobicContact CD2-CB 3.75Å; Y71-A223 HydrophobicContact CE1-CB 4.18Å; Y71-A223 HydrophobicContact CE2-CB 3.81Å; Y71-A223 HydrophobicContact CG-CB 3.96Å; L142-A223 HydrophobicContact CD2-CB 4.4Å; I194-A223 HydrophobicContact CD1-CB 4.35Å; I194-A223 HydrophobicContact CG2-CB 4.03Å; D219-A223 PolarHBondContact O-N 3.2Å; Q220-A223 WeakPolarHBondContact O-CB 3.44Å; Q220-A223 PolarHBondContact O-N 2.98Å; I221-A223 PolarHBondContact O-N 3.06Å; A223-R225 PolarHBondContact O-N 3.29Å; A223-W226 WeakPolarHBondContact O-CB 3.3Å; A223-W226 PolarHBondContact O-N 2.93Å; A223-I227 WeakPolarHBondContact O-CD1 3.48Å; A223-I227 WeakPolarHBondContact O-CG1 3.46Å; A223-I227 PolarHBondContact O-N 3.06Å
224	L	98.9	Very high	98.5	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-39.2	176.8	-68	168.1	0	0	0	112.6	V163 Q220 I221 I227 K228 I243 L256 L265 F266	V163-L224 HydrophobicContact CB-CD2 4.47Å; V163-L224 HydrophobicContact CG1-CD2 4.28Å; V163-L224 HydrophobicContact CG2-CD2 4.37Å; Q220-L224 VanDerWaalsContact O-CG 3.32Å; Q220-L224 WeakPolarHBondContact O-CG 3.42Å; Q220-L224 PolarHBondContact O-N 3.11Å; I221-L224 WeakPolarHBondContact O-CB 3.2Å; I221-L224 PolarHBondContact O-N 3.15Å; L224-I227 HydrophobicContact CD2-CD1 4.48Å; L224-I227 PolarHBondContact O-N 3.05Å; L224-K228 WeakPolarHBondContact O-CB 3.31Å; L224-K228 PolarHBondContact O-N 3.2Å; L224-I243 HydrophobicContact CD1-CG2 4.29Å; L224-I243 HydrophobicContact CD2-CG2 3.54Å; L224-L256 HydrophobicContact CD1-CD1 4.19Å; L224-L265 HydrophobicContact CB-CB 4.09Å; L224-L265 HydrophobicContact CB-CD1 3.96Å; L224-F266 HydrophobicContact CD1-CD1 3.97Å; L224-F266 HydrophobicContact CD1-CE1 4.2Å
225	R	98.8	Very high	98.3	Very high	91 Å²	91	28.8 Å²	28.8	34%	0.343	14%	0.135	S	C	.	.	H	α-helix	trans	-60.6	-47.6	171.2	-71.6	174.6	-178.2	177.5	-1.4	111.4	I221 Q222 A223 I227 K228 E229 L265	I221-R225 WeakPolarHBondContact O-CG 3.32Å; I221-R225 PolarHBondContact O-N 3.26Å; Q222-R225 PolarHBondContact O-N 3.2Å; A223-R225 PolarHBondContact O-N 3.29Å; R225-I227 VanDerWaalsContact C-N 3.29Å; R225-I227 PolarHBondContact O-N 2.87Å; R225-K228 PolarHBondContact O-N 3.5Å; R225-E229 WeakPolarHBondContact O-CG 3.3Å; R225-E229 PolarHBondContact O-N 3.15Å; R225-E229 VanDerWaalsContact O-N 3.08Å; R225-L265 HydrophobicContact CG-CD1 3.85Å; R225-L265 HydrophobicContact CG-CD2 3.85Å
226	W	98.8	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.1	-43.6	176.1	-173.8	101.4	0	0	0	111.4	T43 Y45 I69 L142 I144 Q222 A223 E229 N230 F234	T43-W226 HydrophobicContact CG2-CH2 4.37Å; T43-W226 HydrophobicContact CG2-CZ2 4.08Å; Y45-W226 AromaticContact CD2-NE1 3.61Å; Y45-W226 AromaticContact CE2-CD1 3.54Å; Y45-W226 AromaticContact CE2-NE1 3.62Å; I69-W226 HydrophobicContact CD1-CH2 4.44Å; I69-W226 HydrophobicContact CG2-CH2 3.92Å; I69-W226 HydrophobicContact CG2-CZ2 3.58Å; L142-W226 HydrophobicContact CD1-CE3 4.35Å; L142-W226 HydrophobicContact CD1-CH2 4.34Å; L142-W226 HydrophobicContact CD1-CZ3 3.96Å; L142-W226 HydrophobicContact CD2-CD2 4.23Å; L142-W226 HydrophobicContact CD2-CE3 3.73Å; L142-W226 HydrophobicContact CD2-CZ3 4.18Å; I144-W226 HydrophobicContact CD1-CH2 3.92Å; I144-W226 HydrophobicContact CD1-CZ3 3.82Å; Q222-W226 PolarHBondContact O-N 3.46Å; A223-W226 WeakPolarHBondContact O-CB 3.3Å; A223-W226 PolarHBondContact O-N 2.93Å; W226-E229 PolarHBondContact O-N 2.76Å; W226-N230 HydrophobicContact CD2-CB 4.16Å; W226-N230 HydrophobicContact CE3-CB 4.11Å; W226-N230 HydrophobicContact CH2-CB 3.95Å; W226-N230 HydrophobicContact CZ2-CB 4.02Å; W226-N230 HydrophobicContact CZ3-CB 3.99Å; W226-N230 VanDerWaalsContact O-CB 3.29Å; W226-N230 WeakPolarHBondContact O-CB 3.5Å; W226-N230 PolarHBondContact O-N 2.9Å; W226-N230 PolarHBondContact O-ND2 2.97Å; W226-F234 AromaticContact CH2-CE2 3.96Å; W226-F234 HydrophobicContact CH2-CE2 3.96Å; W226-F234 HydrophobicContact CH2-CZ 4.37Å
227	I	98.8	Very high	98.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-50.9	178.5	-68.7	161.1	0	0	0	110	L142 V161 V163 I192 A223 L224 R225 E229 N230 I231	L142-I227 HydrophobicContact CD2-CG1 4.26Å; V161-I227 HydrophobicContact CG1-CG2 4.23Å; V163-I227 HydrophobicContact CB-CD1 4.49Å; V163-I227 HydrophobicContact CG1-CD1 3.84Å; V163-I227 HydrophobicContact CG2-CD1 3.77Å; I192-I227 HydrophobicContact CD1-CD1 3.84Å; I192-I227 HydrophobicContact CD1-CG1 3.77Å; I192-I227 HydrophobicContact CD1-CG2 3.97Å; I192-I227 HydrophobicContact CG2-CD1 4.08Å; A223-I227 WeakPolarHBondContact O-CD1 3.48Å; A223-I227 WeakPolarHBondContact O-CG1 3.46Å; A223-I227 PolarHBondContact O-N 3.06Å; L224-I227 HydrophobicContact CD2-CD1 4.48Å; L224-I227 PolarHBondContact O-N 3.05Å; R225-I227 VanDerWaalsContact C-N 3.29Å; R225-I227 PolarHBondContact O-N 2.87Å; I227-E229 PolarHBondContact O-N 2.88Å; I227-E229 VanDerWaalsContact O-N 3.17Å; I227-N230 PolarHBondContact O-N 3.41Å; I227-I231 HydrophobicContact CG2-CB 3.96Å; I227-I231 HydrophobicContact CG2-CG1 4.24Å; I227-I231 HydrophobicContact CG2-CG2 4.21Å; I227-I231 WeakPolarHBondContact O-CB 3.32Å; I227-I231 VanDerWaalsContact O-CG2 3.23Å; I227-I231 WeakPolarHBondContact O-CG2 3.43Å; I227-I231 PolarHBondContact O-N 3.48Å
228	K	98	Very high	98.1	Very high	86 Å²	86	31.3 Å²	31.3	37%	0.374	15%	0.151	S	C	.	.	H	α-helix	trans	-53	-39.1	177.5	-178.7	174.9	178.8	172.6	0	112.5	L224 R225 D264 L265	L224-K228 WeakPolarHBondContact O-CB 3.31Å; L224-K228 PolarHBondContact O-N 3.2Å; R225-K228 PolarHBondContact O-N 3.5Å; K228-D264 WeakPolarHBondContact CE-O 3.26Å; K228-D264 PolarHBondContact NZ-O 2.79Å; K228-L265 HydrophobicContact CD-CD2 3.76Å
229	E	98.2	Very high	98	Very high	103 Å²	103	38.1 Å²	38.1	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-82.5	-26.5	-177.4	-70.8	174.2	-170.2	0	0	114.7	N44 R225 W226 I227	N44-E229 PolarHBondContact ND2-O 2.83Å; R225-E229 WeakPolarHBondContact O-CG 3.3Å; R225-E229 PolarHBondContact O-N 3.15Å; R225-E229 VanDerWaalsContact O-N 3.08Å; W226-E229 PolarHBondContact O-N 2.76Å; I227-E229 PolarHBondContact O-N 2.88Å; I227-E229 VanDerWaalsContact O-N 3.17Å
230	N	98.7	Very high	97.9	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-121.4	-18.4	-166.9	-64.3	-83.6	0	0	0	114.5	T43 N44 W226 I227 H232 A233	T43-N230 WeakPolarHBondContact CB-OD1 3.38Å; N44-N230 WeakPolarHBondContact CB-OD1 3.36Å; N44-N230 PolarHBondContact N-OD1 3.18Å; W226-N230 HydrophobicContact CD2-CB 4.16Å; W226-N230 HydrophobicContact CE3-CB 4.11Å; W226-N230 HydrophobicContact CH2-CB 3.95Å; W226-N230 HydrophobicContact CZ2-CB 4.02Å; W226-N230 HydrophobicContact CZ3-CB 3.99Å; W226-N230 VanDerWaalsContact O-CB 3.29Å; W226-N230 WeakPolarHBondContact O-CB 3.5Å; W226-N230 PolarHBondContact O-N 2.9Å; W226-N230 PolarHBondContact O-ND2 2.97Å; I227-N230 PolarHBondContact O-N 3.41Å; N230-H232 PolarHBondContact O-N 3.24Å; N230-H232 VanDerWaalsContact O-N 3.14Å; N230-A233 VanDerWaalsContact O-CB 3.26Å; N230-A233 WeakPolarHBondContact O-CB 3.43Å; N230-A233 PolarHBondContact O-N 2.92Å
231	I	98.4	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-67.2	-22.9	-168.7	-156.6	57	0	0	0	113.6	I144 V161 I190 I192 I227 A233 F234 G236 P238	I144-I231 HydrophobicContact CD1-CD1 4.15Å; I144-I231 HydrophobicContact CG2-CD1 4.33Å; V161-I231 HydrophobicContact CG1-CG1 4.18Å; V161-I231 HydrophobicContact CG2-CG1 3.71Å; V161-I231 HydrophobicContact CG2-CG2 4.2Å; I190-I231 HydrophobicContact CD1-CG1 4.43Å; I190-I231 HydrophobicContact CG2-CD1 4.17Å; I192-I231 HydrophobicContact CD1-CD1 3.6Å; I192-I231 HydrophobicContact CD1-CG1 4.29Å; I227-I231 HydrophobicContact CG2-CB 3.96Å; I227-I231 HydrophobicContact CG2-CG1 4.24Å; I227-I231 HydrophobicContact CG2-CG2 4.21Å; I227-I231 WeakPolarHBondContact O-CB 3.32Å; I227-I231 VanDerWaalsContact O-CG2 3.23Å; I227-I231 WeakPolarHBondContact O-CG2 3.43Å; I227-I231 PolarHBondContact O-N 3.48Å; I231-A233 PolarHBondContact O-N 2.76Å; I231-F234 HydrophobicContact CD1-CB 4.23Å; I231-F234 HydrophobicContact CD1-CD2 4.16Å; I231-F234 HydrophobicContact CD1-CG 4.45Å; I231-F234 CarbonylContact O-C 3.59Å; I231-F234 WeakPolarHBondContact O-CA 3.5Å; I231-F234 WeakPolarHBondContact O-CB 3.4Å; I231-F234 PolarHBondContact O-N 2.94Å; I231-G236 PolarHBondContact O-N 3.44Å; I231-P238 HydrophobicContact CG2-CB 4.13Å
232	H	96.6	Very high	97.9	Very high	121 Å²	121	40.3 Å²	40.3	56%	0.56	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-58.5	-31.1	172.1	-172	-78.9	0	0	0	112.5	N230 F234 K235 G236	N230-H232 PolarHBondContact O-N 3.24Å; N230-H232 VanDerWaalsContact O-N 3.14Å; H232-F234 PolarHBondContact O-N 3.45Å; H232-F234 VanDerWaalsContact O-N 3.15Å; H232-K235 PolarHBondContact O-N 3.33Å; H232-G236 WeakPolarHBondContact CA-O 3.28Å
233	A	96.7	Very high	97.9	Very high	43 Å²	43	39.8 Å²	39.8	36%	0.355	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-63.7	-18.3	175.5	0	0	0	0	0	113.3	T42 N230 I231	T42-A233 WeakPolarHBondContact O-CB 3.49Å; N230-A233 VanDerWaalsContact O-CB 3.26Å; N230-A233 WeakPolarHBondContact O-CB 3.43Å; N230-A233 PolarHBondContact O-N 2.92Å; I231-A233 PolarHBondContact O-N 2.76Å
234	F	96.8	Very high	97.9	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.026	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-106.7	16.4	178.5	-57.4	-92	0	0	0	111.9	A41 T43 L48 Y66 I69 I144 V146 I190 W226 I231 H232 G236	A41-F234 HydrophobicContact CB-CD1 3.8Å; A41-F234 HydrophobicContact CB-CE1 3.36Å; A41-F234 HydrophobicContact CB-CE2 4.38Å; A41-F234 HydrophobicContact CB-CG 4.48Å; A41-F234 HydrophobicContact CB-CZ 3.7Å; T43-F234 HydrophobicContact CG2-CE2 3.96Å; T43-F234 HydrophobicContact CG2-CZ 4.04Å; L48-F234 HydrophobicContact CD1-CZ 4.05Å; Y66-F234 AromaticContact CD1-CE1 3.82Å; Y66-F234 HydrophobicContact CD1-CE1 3.82Å; Y66-F234 AromaticContact CD2-CD1 3.84Å; Y66-F234 HydrophobicContact CD2-CD1 3.84Å; Y66-F234 AromaticContact CD2-CE1 3.67Å; Y66-F234 HydrophobicContact CD2-CE1 3.67Å; Y66-F234 AromaticContact CE1-CE1 3.89Å; Y66-F234 HydrophobicContact CE1-CE1 3.89Å; Y66-F234 AromaticContact CE2-CD1 3.69Å; Y66-F234 HydrophobicContact CE2-CD1 3.69Å; Y66-F234 AromaticContact CE2-CE1 3.76Å; Y66-F234 HydrophobicContact CE2-CE1 3.76Å; Y66-F234 HydrophobicContact CG-CD1 4.34Å; Y66-F234 AromaticContact CG-CE1 3.7Å; Y66-F234 HydrophobicContact CG-CE1 3.7Å; Y66-F234 AromaticContact CZ-CE1 3.85Å; I69-F234 HydrophobicContact CD1-CZ 4.44Å; I144-F234 HydrophobicContact CD1-CD1 4.33Å; I144-F234 HydrophobicContact CD1-CD2 4.08Å; I144-F234 HydrophobicContact CD1-CE1 4.09Å; I144-F234 HydrophobicContact CD1-CE2 3.83Å; I144-F234 HydrophobicContact CD1-CG 4.32Å; I144-F234 HydrophobicContact CD1-CZ 3.83Å; I144-F234 HydrophobicContact CG2-CD1 4.48Å; V146-F234 HydrophobicContact CG2-CB 4.05Å; V146-F234 HydrophobicContact CG2-CD1 4.27Å; I190-F234 HydrophobicContact CD1-CB 4.3Å; I190-F234 VanDerWaalsContact CD1-O 3.24Å; I190-F234 WeakPolarHBondContact CD1-O 3.31Å; W226-F234 AromaticContact CH2-CE2 3.96Å; W226-F234 HydrophobicContact CH2-CE2 3.96Å; W226-F234 HydrophobicContact CH2-CZ 4.37Å; I231-F234 HydrophobicContact CD1-CB 4.23Å; I231-F234 HydrophobicContact CD1-CD2 4.16Å; I231-F234 HydrophobicContact CD1-CG 4.45Å; I231-F234 CarbonylContact O-C 3.59Å; I231-F234 WeakPolarHBondContact O-CA 3.5Å; I231-F234 WeakPolarHBondContact O-CB 3.4Å; I231-F234 PolarHBondContact O-N 2.94Å; H232-F234 PolarHBondContact O-N 3.45Å; H232-F234 VanDerWaalsContact O-N 3.15Å; F234-G236 VanDerWaalsContact C-N 3.26Å; F234-G236 PolarHBondContact O-N 2.81Å
235	K	95.4	Very high	97.9	Very high	106 Å²	106	39.7 Å²	39.7	46%	0.461	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	26.9	-172	-52	179.6	174.8	-177.6	0	114	D150 L158 K159 H232	D150-K235 IonicContact OD1-NZ 3.02Å; L158-K235 CarbonylContact C-O 3.56Å; L158-K235 VanDerWaalsContact CA-O 3.3Å; L158-K235 WeakPolarHBondContact CA-O 3.49Å; K159-K235 PolarHBondContact N-O 2.85Å; H232-K235 PolarHBondContact O-N 3.33Å
236	G	97.2	Very high	97.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	149.6	172.1	0	0	0	0	0	112.9	K159 I231 H232 F234 P238	K159-G236 CarbonylContact O-C 3.55Å; K159-G236 WeakPolarHBondContact O-CA 3.45Å; I231-G236 PolarHBondContact O-N 3.44Å; H232-G236 WeakPolarHBondContact CA-O 3.28Å; F234-G236 VanDerWaalsContact C-N 3.26Å; F234-G236 PolarHBondContact O-N 2.81Å; G236-P238 WeakPolarHBondContact O-CD 3.48Å
237	D	97.2	Very high	97.8	Very high	27 Å²	27	35.9 Å²	35.9	14%	0.144	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	109.1	175.6	-172.3	-7.1	0	0	0	110.7	L158 K159 K239 R240	L158-D237 HydrophobicContact CB-CB 3.96Å; K159-D237 PolarHBondContact O-N 3.24Å; D237-K239 PolarHBondContact O-N 3.05Å; D237-K239 VanDerWaalsContact O-N 3.1Å; D237-K239 WeakPolarHBondContact OD1-CB 3.16Å; D237-K239 PolarHBondContact OD1-N 3.17Å; D237-R240 HydrophobicContact CB-CB 4.23Å; D237-R240 PolarHBondContact O-N 3.19Å; D237-R240 WeakPolarHBondContact OD2-CG 3.34Å; D237-R240 IonicContact OD2-CZ 3.62Å; D237-R240 IonicContact OD2-NE 3.82Å; D237-R240 PolarHBondContact OD2-NE 3.5Å; D237-R240 IonicContact OD2-NH2 2.99Å
238	P	97.2	Very high	97.8	Very high	33 Å²	33	36.4 Å²	36.4	21%	0.214	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-9.1	178.4	29.6	-35.7	0	0	0	113.4	I231 G236	I231-P238 HydrophobicContact CG2-CB 4.13Å; G236-P238 WeakPolarHBondContact O-CD 3.48Å
239	K	96.9	Very high	97.8	Very high	166 Å²	166	32.3 Å²	32.3	72%	0.722	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	-1.5	174.6	-59	-179.3	177.6	180	0	113.5	D237 Q267	D237-K239 PolarHBondContact O-N 3.05Å; D237-K239 VanDerWaalsContact O-N 3.1Å; D237-K239 WeakPolarHBondContact OD1-CB 3.16Å; D237-K239 PolarHBondContact OD1-N 3.17Å; K239-Q267 VanDerWaalsContact C-CD 3.45Å; K239-Q267 WeakPolarHBondContact O-CG 3.34Å; K239-Q267 PolarHBondContact O-OE1 3.01Å
240	R	97.3	Very high	97.8	Very high	46 Å²	46	27.4 Å²	27.4	17%	0.174	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	53.5	177.1	-64.8	-171.5	-66.2	157.2	0	110.9	D154 L158 P160 V161 D237	D154-R240 IonicContact OD1-CZ 3.72Å; D154-R240 IonicContact OD1-NH1 2.82Å; D154-R240 PolarHBondContact OD1-NH1 3.23Å; D154-R240 IonicContact OD1-NH2 3.84Å; D154-R240 PolarHBondContact OD1-NH2 2.76Å; D154-R240 IonicContact OD2-NH2 3.76Å; L158-R240 PolarHBondContact O-NH2 2.98Å; P160-R240 HydrophobicContact CB-CB 4.34Å; V161-R240 PolarHBondContact N-O 3.25Å; D237-R240 HydrophobicContact CB-CB 4.23Å; D237-R240 PolarHBondContact O-N 3.19Å; D237-R240 WeakPolarHBondContact OD2-CG 3.34Å; D237-R240 IonicContact OD2-CZ 3.62Å; D237-R240 IonicContact OD2-NE 3.82Å; D237-R240 PolarHBondContact OD2-NE 3.5Å; D237-R240 IonicContact OD2-NH2 2.99Å
241	V	98.8	Very high	97.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.1	173.5	-176.6	0	0	0	0	109.4	V161 V163 F266 Q267 K268	V161-V241 HydrophobicContact CB-CG2 4.22Å; V161-V241 CarbonylContact O-C 3.53Å; V161-V241 WeakPolarHBondContact O-CA 3.33Å; V163-V241 HydrophobicContact CG2-CG1 3.85Å; V241-F266 HydrophobicContact CB-CB 4.08Å; V241-F266 HydrophobicContact CG1-CB 3.87Å; V241-Q267 PolarHBondContact O-N 3.33Å; V241-Q267 PolarHBondContact O-OE1 3.12Å; V241-K268 PolarHBondContact O-N 2.66Å
242	T	98.9	Very high	97.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.9	173.4	-57.4	0	0	0	0	108.4	V161 M162 V163 K268 I270 F523 A524	V161-T242 PolarHBondContact O-N 2.96Å; M162-T242 CarbonylContact C-O 3.57Å; M162-T242 WeakPolarHBondContact CA-O 3.17Å; V163-T242 PolarHBondContact N-O 3.32Å; T242-K268 WeakPolarHBondContact CA-O 3.47Å; T242-K268 HydrophobicContact CG2-CB 3.95Å; T242-I270 HydrophobicContact CG2-CD1 4.08Å; T242-I270 HydrophobicContact CG2-CG1 3.91Å; T242-F523 HydrophobicContact CG2-CD1 4.42Å; T242-F523 HydrophobicContact CG2-CE1 4.46Å; T242-A524 HydrophobicContact CG2-CB 4.43Å; T242-A524 WeakPolarHBondContact OG1-CA 3.45Å
243	I	98.9	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.9	171.1	59.9	167.6	0	0	0	109.4	V163 L224 V253 L256 F266 K268 A269 I270	V163-I243 HydrophobicContact CB-CG2 4.27Å; V163-I243 WeakPolarHBondContact O-CA 3.24Å; L224-I243 HydrophobicContact CD1-CG2 4.29Å; L224-I243 HydrophobicContact CD2-CG2 3.54Å; I243-V253 HydrophobicContact CB-CG2 4.4Å; I243-V253 HydrophobicContact CD1-CB 4.2Å; I243-V253 HydrophobicContact CD1-CG1 3.74Å; I243-V253 HydrophobicContact CD1-CG2 4.16Å; I243-V253 HydrophobicContact CG1-CG1 3.86Å; I243-V253 HydrophobicContact CG1-CG2 4.3Å; I243-L256 HydrophobicContact CD1-CB 4.16Å; I243-L256 HydrophobicContact CD1-CD1 4.15Å; I243-F266 HydrophobicContact CD1-CD1 3.98Å; I243-F266 HydrophobicContact CD1-CD2 3.94Å; I243-F266 HydrophobicContact CD1-CE1 3.58Å; I243-F266 HydrophobicContact CD1-CE2 3.57Å; I243-F266 HydrophobicContact CD1-CG 4.15Å; I243-F266 HydrophobicContact CD1-CZ 3.38Å; I243-F266 HydrophobicContact CG1-CD1 4.35Å; I243-F266 HydrophobicContact CG1-CD2 3.79Å; I243-F266 HydrophobicContact CG1-CE1 4.39Å; I243-F266 HydrophobicContact CG1-CE2 3.86Å; I243-F266 HydrophobicContact CG1-CG 4.06Å; I243-F266 HydrophobicContact CG1-CZ 4.17Å; I243-F266 HydrophobicContact CG2-CB 4.05Å; I243-F266 HydrophobicContact CG2-CD1 3.99Å; I243-F266 HydrophobicContact CG2-CD2 4.5Å; I243-F266 HydrophobicContact CG2-CG 3.93Å; I243-K268 PolarHBondContact N-O 2.94Å; I243-A269 HydrophobicContact CG1-CB 4.19Å; I243-A269 CarbonylContact O-C 3.58Å; I243-A269 VanDerWaalsContact O-CA 3.31Å; I243-A269 WeakPolarHBondContact O-CA 3.4Å; I243-I270 PolarHBondContact O-N 3.03Å
244	F	98.9	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.1	176.7	73.1	-61.9	0	0	0	112.2	M162 V163 Y164 I165 L183 I270 V489 F490	M162-F244 HydrophobicContact CB-CD1 4.23Å; M162-F244 HydrophobicContact CB-CE1 3.79Å; M162-F244 HydrophobicContact CE-CD1 4.28Å; M162-F244 HydrophobicContact CE-CE1 4.3Å; M162-F244 HydrophobicContact CE-CG 4.47Å; M162-F244 HydrophobicContact CE-CZ 4.47Å; V163-F244 VanDerWaalsContact O-CD1 3.31Å; V163-F244 WeakPolarHBondContact O-CD1 3.35Å; V163-F244 PolarHBondContact O-N 2.93Å; Y164-F244 CarbonylContact C-O 3.5Å; Y164-F244 VanDerWaalsContact CA-O 3.28Å; Y164-F244 WeakPolarHBondContact CA-O 3.21Å; Y164-F244 HydrophobicContact CD2-CD1 4.26Å; Y164-F244 AromaticContact CD2-CD2 3.65Å; Y164-F244 HydrophobicContact CD2-CD2 3.65Å; Y164-F244 HydrophobicContact CD2-CE1 4.06Å; Y164-F244 AromaticContact CD2-CE2 3.44Å; Y164-F244 HydrophobicContact CD2-CE2 3.44Å; Y164-F244 VanDerWaalsContact CD2-CE2 3.44Å; Y164-F244 HydrophobicContact CD2-CG 4.05Å; Y164-F244 AromaticContact CD2-CZ 3.65Å; Y164-F244 HydrophobicContact CD2-CZ 3.65Å; Y164-F244 WeakPolarHBondContact CD2-O 3.45Å; Y164-F244 HydrophobicContact CE2-CD2 4.21Å; Y164-F244 HydrophobicContact CE2-CE2 4.11Å; Y164-F244 HydrophobicContact CG-CE1 4.3Å; Y164-F244 HydrophobicContact CG-CE2 4.26Å; Y164-F244 HydrophobicContact CG-CZ 4.04Å; I165-F244 PolarHBondContact N-O 2.03Å; L183-F244 HydrophobicContact CD2-CE2 4.48Å; L183-F244 HydrophobicContact CD2-CZ 4.07Å; F244-I270 VanDerWaalsContact CA-O 3.24Å; F244-I270 WeakPolarHBondContact CA-O 3.4Å; F244-I270 HydrophobicContact CB-CB 3.65Å; F244-I270 HydrophobicContact CB-CD1 4.4Å; F244-I270 HydrophobicContact CB-CG1 4.27Å; F244-V489 HydrophobicContact CD2-CG1 4.5Å; F244-V489 HydrophobicContact CE2-CG1 3.97Å; F244-F490 HydrophobicContact CE2-CE1 4.08Å; F244-F490 HydrophobicContact CE2-CE2 4.19Å; F244-F490 AromaticContact CE2-CZ 3.48Å; F244-F490 HydrophobicContact CE2-CZ 3.48Å; F244-F490 VanDerWaalsContact CE2-CZ 3.48Å; F244-F490 AromaticContact CZ-CE1 3.82Å; F244-F490 HydrophobicContact CZ-CE1 3.82Å; F244-F490 AromaticContact CZ-CZ 3.58Å; F244-F490 HydrophobicContact CZ-CZ 3.58Å
245	G	98.8	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	164.6	-178.4	0	0	0	0	0	111.6	I165 A250 I270 Q272	I165-G245 VanDerWaalsContact O-CA 3.25Å; I165-G245 WeakPolarHBondContact O-CA 3.34Å; G245-A250 WeakPolarHBondContact O-CB 3.37Å; G245-I270 PolarHBondContact N-O 3.47Å; G245-Q272 VanDerWaalsContact O-CB 3.28Å; G245-Q272 WeakPolarHBondContact O-CB 3.5Å; G245-Q272 WeakPolarHBondContact O-CG 3.41Å; G245-Q272 PolarHBondContact O-N 3.28Å; G245-Q272 VanDerWaalsContact O-N 3.08Å
246	S	98.5	Very high	98.3	Very high	5 Å²	5	14.2 Å²	14.2	4%	0.035	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.1	175.3	-175.7	0	0	0	0	111.1	A248 G249 Q272 E485	S246-A248 PolarHBondContact O-N 3.34Å; S246-G249 PolarHBondContact O-N 3.04Å; S246-Q272 VanDerWaalsContact CA-O 3.27Å; S246-Q272 WeakPolarHBondContact CA-O 3.44Å; S246-E485 WeakPolarHBondContact CB-OE1 3.41Å; S246-E485 PolarHBondContact OG-OE1 3.24Å
247	G	97.5	Very high	98.3	Very high	7 Å²	7	14.3 Å²	14.3	7%	0.072	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	-127.7	-178.6	0	0	0	0	0	112.2	G249 A250 S251 Q272 S273	G247-G249 PolarHBondContact O-N 3.17Å; G247-G249 VanDerWaalsContact O-N 3.13Å; G247-A250 WeakPolarHBondContact O-CA 3.47Å; G247-A250 VanDerWaalsContact O-CB 3.29Å; G247-A250 WeakPolarHBondContact O-CB 3.27Å; G247-A250 PolarHBondContact O-N 2.92Å; G247-S251 PolarHBondContact O-N 3.45Å; G247-Q272 PolarHBondContact N-O 2.94Å; G247-S273 WeakPolarHBondContact CA-O 3.36Å
248	A	97.9	Very high	98.4	Very high	11 Å²	11	13.3 Å²	13.3	9%	0.091	7%	0.065	C	C	.	.	H	α-helix	trans	-57.1	-27.3	175.2	0	0	0	0	0	113.3	Y170 S246 S251 C252	Y170-A248 HydrophobicContact CD1-CB 4.04Å; Y170-A248 HydrophobicContact CE1-CB 3.86Å; Y170-A248 WeakPolarHBondContact CE1-O 3.35Å; Y170-A248 HydrophobicContact CE2-CB 4.43Å; Y170-A248 HydrophobicContact CG-CB 4.4Å; S246-A248 PolarHBondContact O-N 3.34Å; A248-S251 WeakPolarHBondContact O-CB 3.08Å; A248-S251 PolarHBondContact O-N 2.65Å; A248-C252 PolarHBondContact O-N 3.4Å
249	G	98.7	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.6	-34.7	173.2	0	0	0	0	0	112.5	I165 H166 S246 G247 C252 V253	I165-G249 WeakPolarHBondContact O-CA 3.48Å; H166-G249 WeakPolarHBondContact O-CA 3.5Å; S246-G249 PolarHBondContact O-N 3.04Å; G247-G249 PolarHBondContact O-N 3.17Å; G247-G249 VanDerWaalsContact O-N 3.13Å; G249-C252 WeakPolarHBondContact O-CB 3.4Å; G249-C252 PolarHBondContact O-N 3.18Å; G249-V253 WeakPolarHBondContact O-CG2 3.19Å; G249-V253 PolarHBondContact O-N 2.84Å
250	A	98.8	Very high	98.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-70.3	-36.6	172.2	0	0	0	0	0	111.7	G245 G247 C252 V253 S254 I271 Q272 G274	G245-A250 WeakPolarHBondContact O-CB 3.37Å; G247-A250 WeakPolarHBondContact O-CA 3.47Å; G247-A250 VanDerWaalsContact O-CB 3.29Å; G247-A250 WeakPolarHBondContact O-CB 3.27Å; G247-A250 PolarHBondContact O-N 2.92Å; A250-C252 VanDerWaalsContact C-N 3.35Å; A250-V253 WeakPolarHBondContact O-CB 3.46Å; A250-V253 PolarHBondContact O-N 3Å; A250-S254 WeakPolarHBondContact O-CB 3.34Å; A250-S254 PolarHBondContact O-N 3Å; A250-I271 HydrophobicContact CB-CG2 3.96Å; A250-Q272 WeakPolarHBondContact CB-O 3.23Å; A250-G274 WeakPolarHBondContact CB-O 3.43Å
251	S	98.8	Very high	98.4	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.007	4%	0.044	C	C	.	.	H	α-helix	trans	-60.9	-42.4	169.9	-62.4	0	0	0	0	111.7	Y170 G247 A248 S254 L255 T275	Y170-S251 WeakPolarHBondContact OH-CB 2.97Å; G247-S251 PolarHBondContact O-N 3.45Å; A248-S251 WeakPolarHBondContact O-CB 3.08Å; A248-S251 PolarHBondContact O-N 2.65Å; S251-S254 PolarHBondContact O-N 2.85Å; S251-L255 WeakPolarHBondContact O-CB 3.47Å; S251-L255 VanDerWaalsContact O-CG 3.29Å; S251-L255 WeakPolarHBondContact O-CG 3.36Å; S251-L255 PolarHBondContact O-N 2.89Å; S251-T275 VanDerWaalsContact CB-O 3.3Å; S251-T275 WeakPolarHBondContact CB-O 3.41Å; S251-T275 PolarHBondContact OG-N 2.96Å; S251-T275 PolarHBondContact OG-O 3.16Å
252	C	98.9	Very high	98.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57.7	-49.3	170.1	-76.2	0	0	0	0	112	I165 Y170 L217 Q220 A248 G249 A250 S254 L255 L256	I165-C252 HydrophobicContact CG2-CB 3.94Å; Y170-C252 VanDerWaalsContact CE1-SG 3.6Å; L217-C252 HydrophobicContact CD2-CB 4.27Å; Q220-C252 PolarHBondContact NE2-SG 2.86Å; A248-C252 PolarHBondContact O-N 3.4Å; G249-C252 WeakPolarHBondContact O-CB 3.4Å; G249-C252 PolarHBondContact O-N 3.18Å; A250-C252 VanDerWaalsContact C-N 3.35Å; C252-S254 VanDerWaalsContact C-N 3.3Å; C252-S254 PolarHBondContact O-N 3.3Å; C252-L255 PolarHBondContact O-N 3.12Å; C252-L256 WeakPolarHBondContact O-CB 3.41Å; C252-L256 VanDerWaalsContact O-CG 3.26Å; C252-L256 WeakPolarHBondContact O-CG 3.42Å; C252-L256 PolarHBondContact O-N 3.49Å
253	V	98.9	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-55.8	-45.9	176.5	168.8	0	0	0	0	111.4	I165 I243 G249 A250 L255 L256 C257 A269 I271	I165-V253 HydrophobicContact CB-CG2 4.48Å; I165-V253 HydrophobicContact CD1-CG2 3.99Å; I165-V253 HydrophobicContact CG1-CG2 4.39Å; I243-V253 HydrophobicContact CB-CG2 4.4Å; I243-V253 HydrophobicContact CD1-CB 4.2Å; I243-V253 HydrophobicContact CD1-CG1 3.74Å; I243-V253 HydrophobicContact CD1-CG2 4.16Å; I243-V253 HydrophobicContact CG1-CG1 3.86Å; I243-V253 HydrophobicContact CG1-CG2 4.3Å; G249-V253 WeakPolarHBondContact O-CG2 3.19Å; G249-V253 PolarHBondContact O-N 2.84Å; A250-V253 WeakPolarHBondContact O-CB 3.46Å; A250-V253 PolarHBondContact O-N 3Å; V253-L255 PolarHBondContact O-N 3.13Å; V253-L256 PolarHBondContact O-N 2.91Å; V253-C257 PolarHBondContact O-N 3.04Å; V253-C257 VanDerWaalsContact O-N 3.11Å; V253-C257 PolarHBondContact O-SG 3.35Å; V253-A269 HydrophobicContact CG1-CB 3.65Å; V253-I271 HydrophobicContact CB-CG1 4.43Å; V253-I271 HydrophobicContact CG1-CD1 4.38Å; V253-I271 HydrophobicContact CG1-CG1 3.68Å
254	S	98.6	Very high	97.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-42.5	177.6	-172.9	0	0	0	0	112.2	A250 S251 C252 C257 L258 A276 M350	A250-S254 WeakPolarHBondContact O-CB 3.34Å; A250-S254 PolarHBondContact O-N 3Å; S251-S254 PolarHBondContact O-N 2.85Å; C252-S254 VanDerWaalsContact C-N 3.3Å; C252-S254 PolarHBondContact O-N 3.3Å; S254-C257 PolarHBondContact O-N 3.15Å; S254-L258 WeakPolarHBondContact O-CG 3.02Å; S254-A276 WeakPolarHBondContact OG-CB 3.38Å; S254-A276 PolarHBondContact OG-N 2.97Å; S254-M350 WeakPolarHBondContact OG-CE 3.4Å
255	L	98.8	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-68.6	-38	177.6	-72.7	165.2	0	0	0	112.1	L217 S251 C252 V253 C257 L258 S259 A276 V282 P335 I342 P346	L217-L255 HydrophobicContact CD1-CD1 4.45Å; S251-L255 WeakPolarHBondContact O-CB 3.47Å; S251-L255 VanDerWaalsContact O-CG 3.29Å; S251-L255 WeakPolarHBondContact O-CG 3.36Å; S251-L255 PolarHBondContact O-N 2.89Å; C252-L255 PolarHBondContact O-N 3.12Å; V253-L255 PolarHBondContact O-N 3.13Å; L255-C257 VanDerWaalsContact C-N 3.27Å; L255-C257 PolarHBondContact O-N 3.36Å; L255-L258 PolarHBondContact O-N 2.97Å; L255-S259 PolarHBondContact O-N 3.49Å; L255-S259 VanDerWaalsContact O-N 3.17Å; L255-A276 HydrophobicContact CD2-CB 3.76Å; L255-A276 HydrophobicContact CG-CB 3.91Å; L255-V282 HydrophobicContact CD2-CG2 4.31Å; L255-P335 HydrophobicContact CD1-CB 3.61Å; L255-P335 HydrophobicContact CD1-CG 3.54Å; L255-I342 HydrophobicContact CB-CD1 4.04Å; L255-I342 HydrophobicContact CD2-CD1 3.91Å; L255-I342 HydrophobicContact CD2-CG1 4.43Å; L255-P346 HydrophobicContact CD2-CG 3.92Å
256	L	98.8	Very high	97.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-34.8	175.4	-70.9	174	0	0	0	111.7	I165 Q220 I221 L224 I243 C252 V253 L258 S259 S262 F266	I165-L256 HydrophobicContact CD1-CD1 3.51Å; Q220-L256 HydrophobicContact CB-CD1 4.24Å; I221-L256 HydrophobicContact CD1-CD2 3.98Å; I221-L256 HydrophobicContact CG1-CD2 3.55Å; L224-L256 HydrophobicContact CD1-CD1 4.19Å; I243-L256 HydrophobicContact CD1-CB 4.16Å; I243-L256 HydrophobicContact CD1-CD1 4.15Å; C252-L256 WeakPolarHBondContact O-CB 3.41Å; C252-L256 VanDerWaalsContact O-CG 3.26Å; C252-L256 WeakPolarHBondContact O-CG 3.42Å; C252-L256 PolarHBondContact O-N 3.49Å; V253-L256 PolarHBondContact O-N 2.91Å; L256-L258 PolarHBondContact O-N 3.27Å; L256-S259 PolarHBondContact O-N 2.61Å; L256-S262 WeakPolarHBondContact O-CB 3.13Å; L256-S262 PolarHBondContact O-OG 3.35Å; L256-F266 HydrophobicContact CB-CE1 4.31Å; L256-F266 HydrophobicContact CB-CZ 4.32Å
257	C	98.1	Very high	97.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-66.2	-21.5	173.9	-62.1	0	0	0	0	113.1	V253 S254 L255 F355 Y358	V253-C257 PolarHBondContact O-N 3.04Å; V253-C257 VanDerWaalsContact O-N 3.11Å; V253-C257 PolarHBondContact O-SG 3.35Å; S254-C257 PolarHBondContact O-N 3.15Å; L255-C257 VanDerWaalsContact C-N 3.27Å; L255-C257 PolarHBondContact O-N 3.36Å; C257-F355 HydrophobicContact CB-CB 4Å; C257-F355 WeakPolarHBondContact O-CA 3.48Å; C257-F355 WeakPolarHBondContact O-CB 3.48Å; C257-Y358 HydrophobicContact CB-CD2 4Å; C257-Y358 HydrophobicContact CB-CE2 4.05Å; C257-Y358 WeakPolarHBondContact O-CE2 3.39Å
258	L	97.7	Very high	97.7	Very high	5 Å²	5	23 Å²	23	3%	0.026	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-5	179.4	-61.4	168.9	0	0	0	113	S254 L255 L256 A276 P346 L349 M350 F355	S254-L258 WeakPolarHBondContact O-CG 3.02Å; L255-L258 PolarHBondContact O-N 2.97Å; L256-L258 PolarHBondContact O-N 3.27Å; L258-A276 HydrophobicContact CD1-CB 4.12Å; L258-P346 HydrophobicContact CD1-CB 3.83Å; L258-L349 HydrophobicContact CB-CB 4.42Å; L258-L349 HydrophobicContact CB-CD1 4.06Å; L258-L349 HydrophobicContact CD2-CB 3.91Å; L258-M350 HydrophobicContact CD1-CE 3.87Å; L258-M350 HydrophobicContact CD1-CG 4.18Å; L258-M350 HydrophobicContact CD2-CG 3.68Å; L258-F355 HydrophobicContact CD2-CB 3.77Å; L258-F355 HydrophobicContact CD2-CD1 4.18Å; L258-F355 HydrophobicContact CD2-CD2 4.42Å; L258-F355 HydrophobicContact CD2-CG 3.88Å
259	S	97.6	Very high	97.7	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.021	11%	0.108	C	C	.	.			trans	-96.3	127.4	-177.5	-172.5	0	0	0	0	111.2	L255 L256 Y261 S262 V341	L255-S259 PolarHBondContact O-N 3.49Å; L255-S259 VanDerWaalsContact O-N 3.17Å; L256-S259 PolarHBondContact O-N 2.61Å; S259-Y261 PolarHBondContact O-N 3.5Å; S259-Y261 VanDerWaalsContact O-N 3.16Å; S259-Y261 PolarHBondContact OG-N 3.1Å; S259-S262 WeakPolarHBondContact O-CB 3.45Å; S259-S262 PolarHBondContact O-N 3.48Å; S259-S262 VanDerWaalsContact O-N 3.07Å; S259-V341 WeakPolarHBondContact CB-O 3.32Å; S259-V341 PolarHBondContact OG-O 3.21Å
260	H	96.2	Very high	97.7	Very high	82 Å²	82	22.5 Å²	22.5	38%	0.38	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-63	-20.8	174.5	71.6	-94.6	0	0	0	113	S262 E263 D340	H260-S262 PolarHBondContact O-N 3.28Å; H260-E263 PolarHBondContact O-N 2.69Å; H260-D340 PolarHBondContact CE1-O 3.44Å; H260-D340 IonicContact CE1-OD1 3.6Å; H260-D340 PolarHBondContact ND1-O 3.04Å
261	Y	97.3	Very high	97.7	Very high	67 Å²	67	22.6 Å²	22.6	26%	0.263	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-68.5	-19.9	175.5	-78.3	-96.9	0	0	0	113.7	S259 D340 V341	S259-Y261 PolarHBondContact O-N 3.5Å; S259-Y261 VanDerWaalsContact O-N 3.16Å; S259-Y261 PolarHBondContact OG-N 3.1Å; Y261-D340 WeakPolarHBondContact CE2-OD1 3.38Å; Y261-D340 VanDerWaalsContact OH-CG 3.32Å; Y261-D340 PolarHBondContact OH-OD1 3.22Å; Y261-D340 PolarHBondContact OH-OD2 3.41Å; Y261-V341 HydrophobicContact CD2-CG2 4.37Å; Y261-V341 HydrophobicContact CE2-CG2 4.22Å
262	S	95.8	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-92.1	-8.8	-176.7	-62.7	0	0	0	0	113.7	L256 S259 H260 D264 L265	L256-S262 WeakPolarHBondContact O-CB 3.13Å; L256-S262 PolarHBondContact O-OG 3.35Å; S259-S262 WeakPolarHBondContact O-CB 3.45Å; S259-S262 PolarHBondContact O-N 3.48Å; S259-S262 VanDerWaalsContact O-N 3.07Å; H260-S262 PolarHBondContact O-N 3.28Å; S262-D264 PolarHBondContact O-N 3.37Å; S262-L265 VanDerWaalsContact O-CB 3.3Å; S262-L265 WeakPolarHBondContact O-CB 3.48Å; S262-L265 WeakPolarHBondContact O-CG 3.47Å; S262-L265 PolarHBondContact O-N 3.29Å
263	E	93.4	Very high	97.7	Very high	104 Å²	104	22.6 Å²	22.6	49%	0.486	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	138.4	-179.7	-71.3	178.2	-164.8	0	0	111.3	H260 L265	H260-E263 PolarHBondContact O-N 2.69Å; E263-L265 PolarHBondContact O-N 2.8Å
264	D	93.3	Very high	97.6	Very high	127 Å²	127	23 Å²	23	68%	0.679	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	11.1	-176.9	-61.9	-36.7	0	0	0	115.9	K228 S262	K228-D264 WeakPolarHBondContact CE-O 3.26Å; K228-D264 PolarHBondContact NZ-O 2.79Å; S262-D264 PolarHBondContact O-N 3.37Å
265	L	98	Very high	97.6	Very high	10 Å²	10	23 Å²	23	5%	0.052	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-28.4	177.8	-59.8	-172.2	0	0	0	113.4	I221 L224 R225 K228 S262 E263	I221-L265 HydrophobicContact CG2-CD1 3.96Å; L224-L265 HydrophobicContact CB-CB 4.09Å; L224-L265 HydrophobicContact CB-CD1 3.96Å; R225-L265 HydrophobicContact CG-CD1 3.85Å; R225-L265 HydrophobicContact CG-CD2 3.85Å; K228-L265 HydrophobicContact CD-CD2 3.76Å; S262-L265 VanDerWaalsContact O-CB 3.3Å; S262-L265 WeakPolarHBondContact O-CB 3.48Å; S262-L265 WeakPolarHBondContact O-CG 3.47Å; S262-L265 PolarHBondContact O-N 3.29Å; E263-L265 PolarHBondContact O-N 2.8Å
266	F	98.5	Very high	97.6	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.022	11%	0.113	C	C	.	.			trans	-148.3	169.8	175.3	60.3	-91.3	0	0	0	110.5	L224 V241 I243 L256 Y358	L224-F266 HydrophobicContact CD1-CD1 3.97Å; L224-F266 HydrophobicContact CD1-CE1 4.2Å; V241-F266 HydrophobicContact CB-CB 4.08Å; V241-F266 HydrophobicContact CG1-CB 3.87Å; I243-F266 HydrophobicContact CD1-CD1 3.98Å; I243-F266 HydrophobicContact CD1-CD2 3.94Å; I243-F266 HydrophobicContact CD1-CE1 3.58Å; I243-F266 HydrophobicContact CD1-CE2 3.57Å; I243-F266 HydrophobicContact CD1-CG 4.15Å; I243-F266 HydrophobicContact CD1-CZ 3.38Å; I243-F266 HydrophobicContact CG1-CD1 4.35Å; I243-F266 HydrophobicContact CG1-CD2 3.79Å; I243-F266 HydrophobicContact CG1-CE1 4.39Å; I243-F266 HydrophobicContact CG1-CE2 3.86Å; I243-F266 HydrophobicContact CG1-CG 4.06Å; I243-F266 HydrophobicContact CG1-CZ 4.17Å; I243-F266 HydrophobicContact CG2-CB 4.05Å; I243-F266 HydrophobicContact CG2-CD1 3.99Å; I243-F266 HydrophobicContact CG2-CD2 4.5Å; I243-F266 HydrophobicContact CG2-CG 3.93Å; L256-F266 HydrophobicContact CB-CE1 4.31Å; L256-F266 HydrophobicContact CB-CZ 4.32Å; F266-Y358 AromaticContact CD2-CD1 3.81Å; F266-Y358 HydrophobicContact CD2-CD1 3.81Å; F266-Y358 AromaticContact CD2-CE1 3.79Å; F266-Y358 HydrophobicContact CD2-CE1 3.79Å; F266-Y358 AromaticContact CE2-CD1 3.53Å; F266-Y358 HydrophobicContact CE2-CD1 3.53Å; F266-Y358 AromaticContact CE2-CE1 3.41Å; F266-Y358 HydrophobicContact CE2-CE1 3.41Å; F266-Y358 VanDerWaalsContact CE2-CE1 3.41Å; F266-Y358 HydrophobicContact CE2-CE2 4.46Å; F266-Y358 HydrophobicContact CE2-CG 4.12Å; F266-Y358 AromaticContact CE2-CZ 3.92Å; F266-Y358 HydrophobicContact CZ-CD1 4.46Å; F266-Y358 AromaticContact CZ-CE1 3.95Å; F266-Y358 HydrophobicContact CZ-CE1 3.95Å
267	Q	98.1	Very high	97.6	Very high	51 Å²	51	25.3 Å²	25.3	24%	0.238	12%	0.124	C	C	.	.	S	Bend	trans	-120.6	-20.6	-174.8	-60.9	77.3	38.7	0	0	113	K239 V241 Y358 D359	K239-Q267 VanDerWaalsContact C-CD 3.45Å; K239-Q267 WeakPolarHBondContact O-CG 3.34Å; K239-Q267 PolarHBondContact O-OE1 3.01Å; V241-Q267 PolarHBondContact O-N 3.33Å; V241-Q267 PolarHBondContact O-OE1 3.12Å; Q267-Y358 WeakPolarHBondContact O-CA 3.42Å; Q267-D359 PolarHBondContact O-N 3.26Å
268	K	98.7	Very high	97.5	Very high	14 Å²	14	25.6 Å²	25.6	6%	0.061	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152	-174.6	-45.5	-175	-176.9	70.6	0	111.3	V241 T242 I243 D359 F523 A524	V241-K268 PolarHBondContact O-N 2.66Å; T242-K268 WeakPolarHBondContact CA-O 3.47Å; T242-K268 HydrophobicContact CG2-CB 3.95Å; I243-K268 PolarHBondContact N-O 2.94Å; K268-D359 VanDerWaalsContact CA-O 3.3Å; K268-D359 WeakPolarHBondContact CA-O 3.32Å; K268-D359 HydrophobicContact CB-CB 4.35Å; K268-D359 HydrophobicContact CD-CB 4.32Å; K268-D359 HydrophobicContact CG-CB 4.03Å; K268-F523 HydrophobicContact CB-CE1 3.84Å; K268-F523 HydrophobicContact CB-CZ 4.24Å; K268-F523 HydrophobicContact CD-CD1 4.5Å; K268-F523 HydrophobicContact CD-CE1 4.32Å; K268-F523 WeakPolarHBondContact CD-O 3.48Å; K268-F523 WeakPolarHBondContact CE-O 3.45Å; K268-A524 PolarHBondContact NZ-O 3.45Å
269	A	98.8	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.9	178.2	0	0	0	0	0	111.5	I243 V253 I271 D359 I360 M361	I243-A269 HydrophobicContact CG1-CB 4.19Å; I243-A269 CarbonylContact O-C 3.58Å; I243-A269 VanDerWaalsContact O-CA 3.31Å; I243-A269 WeakPolarHBondContact O-CA 3.4Å; V253-A269 HydrophobicContact CG1-CB 3.65Å; A269-I271 HydrophobicContact CB-CG1 4.42Å; A269-D359 PolarHBondContact N-O 2.65Å; A269-I360 HydrophobicContact CB-CG1 4.33Å; A269-I360 WeakPolarHBondContact O-CA 3.48Å; A269-M361 PolarHBondContact O-N 2.73Å
270	I	98.9	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.6	167.9	-47.2	174.8	0	0	0	109.2	M162 T242 I243 F244 G245 Q272 M361 W520 F523	M162-I270 HydrophobicContact CE-CD1 3.96Å; T242-I270 HydrophobicContact CG2-CD1 4.08Å; T242-I270 HydrophobicContact CG2-CG1 3.91Å; I243-I270 PolarHBondContact O-N 3.03Å; F244-I270 VanDerWaalsContact CA-O 3.24Å; F244-I270 WeakPolarHBondContact CA-O 3.4Å; F244-I270 HydrophobicContact CB-CB 3.65Å; F244-I270 HydrophobicContact CB-CD1 4.4Å; F244-I270 HydrophobicContact CB-CG1 4.27Å; G245-I270 PolarHBondContact N-O 3.47Å; I270-Q272 HydrophobicContact CG2-CG 4.1Å; I270-M361 CarbonylContact C-O 3.34Å; I270-M361 VanDerWaalsContact CA-O 3.24Å; I270-M361 WeakPolarHBondContact CA-O 3.37Å; I270-M361 HydrophobicContact CB-CB 4.5Å; I270-M361 HydrophobicContact CD1-SD 4.44Å; I270-M361 HydrophobicContact CG1-CB 4.22Å; I270-M361 HydrophobicContact CG2-CB 4.14Å; I270-M361 HydrophobicContact CG2-CG 4.14Å; I270-M361 HydrophobicContact CG2-SD 3.91Å; I270-W520 HydrophobicContact CD1-CB 4.4Å; I270-W520 HydrophobicContact CD1-CG 4.01Å; I270-F523 HydrophobicContact CD1-CD1 3.85Å; I270-F523 HydrophobicContact CD1-CE1 4.44Å; I270-F523 HydrophobicContact CG1-CD1 3.64Å; I270-F523 HydrophobicContact CG1-CE1 3.73Å
271	I	98.9	Very high	97.4	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	96.3	-168.8	-60.1	176.3	0	0	0	108.4	A250 V253 A269 G274 I360 M361 L362 G363	A250-I271 HydrophobicContact CB-CG2 3.96Å; V253-I271 HydrophobicContact CB-CG1 4.43Å; V253-I271 HydrophobicContact CG1-CD1 4.38Å; V253-I271 HydrophobicContact CG1-CG1 3.68Å; A269-I271 HydrophobicContact CB-CG1 4.42Å; I271-G274 WeakPolarHBondContact CG2-O 3.48Å; I271-I360 HydrophobicContact CD1-CD1 4.46Å; I271-I360 HydrophobicContact CD1-CG2 3.93Å; I271-I360 HydrophobicContact CG1-CG2 4.46Å; I271-M361 PolarHBondContact N-O 3.29Å; I271-L362 HydrophobicContact CB-CB 3.86Å; I271-L362 HydrophobicContact CG2-CB 4.41Å; I271-L362 VanDerWaalsContact O-CA 3.25Å; I271-L362 WeakPolarHBondContact O-CA 3.44Å; I271-G363 PolarHBondContact O-N 3.09Å
272	Q	98.8	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.7	-175.1	-50.4	171.4	-164.8	0	0	110.7	G245 S246 G247 A250 I270 G274 Y463 E485	G245-Q272 VanDerWaalsContact O-CB 3.28Å; G245-Q272 WeakPolarHBondContact O-CB 3.5Å; G245-Q272 WeakPolarHBondContact O-CG 3.41Å; G245-Q272 PolarHBondContact O-N 3.28Å; G245-Q272 VanDerWaalsContact O-N 3.08Å; S246-Q272 VanDerWaalsContact CA-O 3.27Å; S246-Q272 WeakPolarHBondContact CA-O 3.44Å; G247-Q272 PolarHBondContact N-O 2.94Å; A250-Q272 WeakPolarHBondContact CB-O 3.23Å; I270-Q272 HydrophobicContact CG2-CG 4.1Å; Q272-G274 VanDerWaalsContact C-N 3.27Å; Q272-G274 PolarHBondContact O-N 2.9Å; Q272-G274 VanDerWaalsContact O-N 3.12Å; Q272-Y463 WeakPolarHBondContact CA-OH 3.48Å; Q272-Y463 WeakPolarHBondContact CB-OH 3.4Å; Q272-Y463 WeakPolarHBondContact CG-OH 3.37Å; Q272-E485 HydrophobicContact CB-CG 4.49Å; Q272-E485 WeakPolarHBondContact CB-OE1 3.28Å; Q272-E485 PolarHBondContact NE2-OE1 2.93Å
273	S	98.3	Very high	97.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	11%	0.107	C	C	.	.	S	Bend	trans	54.5	38.2	169.3	-59.4	0	0	0	0	114.8	G247 G363 E368 W442 H482	G247-S273 WeakPolarHBondContact CA-O 3.36Å; S273-G363 PolarHBondContact N-O 3.28Å; S273-E368 WeakPolarHBondContact CB-OE1 3.49Å; S273-E368 PolarHBondContact OG-OE1 2.89Å; S273-W442 PolarHBondContact O-NE1 2.81Å; S273-W442 VanDerWaalsContact O-NE1 3.15Å; S273-H482 PolarHBondContact O-CE1 2.98Å; S273-H482 VanDerWaalsContact O-CE1 3.25Å
274	G	98	Very high	97.8	Very high	7 Å²	7	21.6 Å²	21.6	7%	0.072	11%	0.108	C	C	.	.			trans	-172.1	148.2	174.1	0	0	0	0	0	111.1	A250 I271 Q272	A250-G274 WeakPolarHBondContact CB-O 3.43Å; I271-G274 WeakPolarHBondContact CG2-O 3.48Å; Q272-G274 VanDerWaalsContact C-N 3.27Å; Q272-G274 PolarHBondContact O-N 2.9Å; Q272-G274 VanDerWaalsContact O-N 3.12Å
275	T	98.5	Very high	98	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	10%	0.097	C	C	.	.			trans	-141.6	171	-177.3	66.4	0	0	0	0	110.3	S251 L277 S278 A281 P445 A446	S251-T275 VanDerWaalsContact CB-O 3.3Å; S251-T275 WeakPolarHBondContact CB-O 3.41Å; S251-T275 PolarHBondContact OG-N 2.96Å; S251-T275 PolarHBondContact OG-O 3.16Å; T275-L277 PolarHBondContact O-N 3.11Å; T275-L277 PolarHBondContact OG1-N 3.4Å; T275-S278 PolarHBondContact O-OG 3.31Å; T275-S278 PolarHBondContact OG1-N 3.39Å; T275-A281 VanDerWaalsContact O-CB 3.28Å; T275-A281 WeakPolarHBondContact O-CB 3.42Å; T275-P445 HydrophobicContact CG2-CB 4.42Å; T275-P445 WeakPolarHBondContact OG1-CB 3.23Å; T275-A446 HydrophobicContact CG2-CB 4.16Å
276	A	98.3	Very high	98	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.017	10%	0.101	C	C	.	.	S	Bend	trans	-75.4	-5.5	169.6	0	0	0	0	0	113.9	S254 L255 L258 A281 P346 M350	S254-A276 WeakPolarHBondContact OG-CB 3.38Å; S254-A276 PolarHBondContact OG-N 2.97Å; L255-A276 HydrophobicContact CD2-CB 3.76Å; L255-A276 HydrophobicContact CG-CB 3.91Å; L258-A276 HydrophobicContact CD1-CB 4.12Å; A276-A281 WeakPolarHBondContact O-CB 3.25Å; A276-P346 HydrophobicContact CB-CB 3.69Å; A276-P346 HydrophobicContact CB-CG 4.13Å; A276-M350 HydrophobicContact CB-CE 4.05Å
277	L	98.1	Very high	97.9	Very high	47 Å²	47	22.5 Å²	22.5	25%	0.246	12%	0.117	C	C	.	.	S	Bend	trans	-103.6	-11	-171.6	-58.6	-179.7	0	0	0	114.4	T275 P346 Q347 M350 P445 A448	T275-L277 PolarHBondContact O-N 3.11Å; T275-L277 PolarHBondContact OG1-N 3.4Å; L277-P346 HydrophobicContact CD2-CB 4.15Å; L277-Q347 HydrophobicContact CD2-CB 3.92Å; L277-M350 HydrophobicContact CD1-CE 4.48Å; L277-M350 HydrophobicContact CD1-SD 3.9Å; L277-M350 HydrophobicContact CD2-CE 4.35Å; L277-M350 HydrophobicContact CD2-SD 4.16Å; L277-M350 HydrophobicContact CG-CE 4.14Å; L277-M350 HydrophobicContact CG-SD 4.1Å; L277-P445 HydrophobicContact CB-CB 3.83Å; L277-A448 HydrophobicContact CD1-CB 4.01Å
278	S	96.8	Very high	97.9	Very high	8 Å²	8	25.5 Å²	25.5	6%	0.056	13%	0.129	C	C	.	.	S	Bend	trans	-67.9	150.7	176.5	53	0	0	0	0	111.7	T275 W280 A281	T275-S278 PolarHBondContact O-OG 3.31Å; T275-S278 PolarHBondContact OG1-N 3.39Å; S278-W280 PolarHBondContact O-N 3.32Å; S278-W280 PolarHBondContact OG-NE1 2.96Å; S278-W280 VanDerWaalsContact OG-NE1 3.09Å; S278-A281 VanDerWaalsContact O-CB 3.29Å; S278-A281 WeakPolarHBondContact O-CB 3.41Å; S278-A281 PolarHBondContact O-N 3.47Å
279	S	95.7	Very high	97.9	Very high	24 Å²	24	25.3 Å²	25.3	17%	0.168	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23	-178.2	62.6	0	0	0	0	114.9	Y329 H330 Q441	S279-Y329 WeakPolarHBondContact CB-O 3.37Å; S279-Y329 PolarHBondContact OG-O 3.13Å; S279-H330 PolarHBondContact O-CD2 3.34Å; S279-Q441 PolarHBondContact OG-NE2 2.82Å
280	W	95.9	Very high	97.9	Very high	12 Å²	12	25.5 Å²	25.5	5%	0.045	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	8	-178.7	55.2	43.7	0	0	0	113.9	M116 Y170 S278 I331 F437 Q441 W442	M116-W280 HydrophobicContact CE-CB 3.32Å; M116-W280 HydrophobicContact CE-CD2 3.62Å; M116-W280 HydrophobicContact CE-CE3 4.05Å; M116-W280 HydrophobicContact CE-CG 3.28Å; M116-W280 HydrophobicContact CG-CD2 3.78Å; M116-W280 HydrophobicContact CG-CE3 3.33Å; M116-W280 HydrophobicContact CG-CG 4.45Å; M116-W280 HydrophobicContact CG-CH2 4.14Å; M116-W280 HydrophobicContact CG-CZ3 3.52Å; M116-W280 HydrophobicContact SD-CB 3.69Å; M116-W280 HydrophobicContact SD-CD2 3.73Å; M116-W280 HydrophobicContact SD-CE3 3.48Å; M116-W280 HydrophobicContact SD-CG 3.85Å; M116-W280 HydrophobicContact SD-CZ3 4.28Å; Y170-W280 WeakPolarHBondContact CE2-O 3.42Å; S278-W280 PolarHBondContact O-N 3.32Å; S278-W280 PolarHBondContact OG-NE1 2.96Å; S278-W280 VanDerWaalsContact OG-NE1 3.09Å; W280-I331 HydrophobicContact CB-CG2 4.04Å; W280-I331 WeakPolarHBondContact O-CD1 3.36Å; W280-I331 WeakPolarHBondContact O-CG2 3.24Å; W280-F437 HydrophobicContact CH2-CE1 4.08Å; W280-F437 HydrophobicContact CH2-CZ 4.2Å; W280-F437 HydrophobicContact CZ3-CE1 4.15Å; W280-F437 AromaticContact CZ3-CZ 3.86Å; W280-F437 HydrophobicContact CZ3-CZ 3.86Å; W280-Q441 HydrophobicContact CH2-CB 3.48Å; W280-Q441 VanDerWaalsContact CH2-CB 3.48Å; W280-Q441 HydrophobicContact CH2-CG 3.59Å; W280-Q441 HydrophobicContact CZ2-CB 3.61Å; W280-Q441 HydrophobicContact CZ2-CG 4.16Å; W280-Q441 HydrophobicContact CZ3-CB 4.28Å; W280-Q441 HydrophobicContact CZ3-CG 3.92Å; W280-W442 HydrophobicContact CH2-CE3 4.43Å; W280-W442 AromaticContact CH2-CH2 3.42Å; W280-W442 HydrophobicContact CH2-CH2 3.42Å; W280-W442 VanDerWaalsContact CH2-CH2 3.42Å; W280-W442 AromaticContact CH2-CZ2 3.49Å; W280-W442 HydrophobicContact CH2-CZ2 3.49Å; W280-W442 VanDerWaalsContact CH2-CZ2 3.49Å; W280-W442 AromaticContact CH2-CZ3 3.9Å; W280-W442 HydrophobicContact CH2-CZ3 3.9Å; W280-W442 HydrophobicContact CZ2-CD2 4.17Å; W280-W442 AromaticContact CZ2-CE2 3.63Å; W280-W442 HydrophobicContact CZ2-CE3 4.47Å; W280-W442 AromaticContact CZ2-CH2 3.9Å; W280-W442 HydrophobicContact CZ2-CH2 3.9Å; W280-W442 AromaticContact CZ2-CZ2 3.49Å; W280-W442 HydrophobicContact CZ2-CZ2 3.49Å; W280-W442 VanDerWaalsContact CZ2-CZ2 3.49Å; W280-W442 HydrophobicContact CZ2-CZ3 4.35Å
281	A	97.8	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-38.6	178.9	0	0	0	0	0	112	Y170 T275 A276 S278	Y170-A281 PolarHBondContact OH-O 3.07Å; T275-A281 VanDerWaalsContact O-CB 3.28Å; T275-A281 WeakPolarHBondContact O-CB 3.42Å; A276-A281 WeakPolarHBondContact O-CB 3.25Å; S278-A281 VanDerWaalsContact O-CB 3.29Å; S278-A281 WeakPolarHBondContact O-CB 3.41Å; S278-A281 PolarHBondContact O-N 3.47Å
282	V	98.3	Very high	97.8	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.024	16%	0.156	C	C	.	.	S	Bend	trans	-127.5	140	-173.9	177.6	0	0	0	0	110.1	L255 Y284 P335 I337 P346	L255-V282 HydrophobicContact CD2-CG2 4.31Å; V282-Y284 HydrophobicContact CB-CD2 4.43Å; V282-Y284 HydrophobicContact CB-CE2 3.86Å; V282-Y284 HydrophobicContact CG1-CD2 4.29Å; V282-Y284 HydrophobicContact CG1-CE1 4.28Å; V282-Y284 HydrophobicContact CG1-CE2 4.01Å; V282-P335 CarbonylContact C-O 3.29Å; V282-P335 WeakPolarHBondContact CA-O 3.39Å; V282-I337 HydrophobicContact CG1-CG1 4.13Å; V282-P346 HydrophobicContact CG2-CG 3.91Å
283	N	98.1	Very high	97.7	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.048	16%	0.157	C	C	.	.			trans	-92.1	107.1	171.4	-179.2	8.1	0	0	0	110.5	Q285 P286 I331 A332 P335 V336	N283-Q285 VanDerWaalsContact C-N 3.34Å; N283-Q285 VanDerWaalsContact OD1-C 3.32Å; N283-Q285 PolarHBondContact OD1-N 3.48Å; N283-P286 WeakPolarHBondContact ND2-CA 3.04Å; N283-I331 HydrophobicContact CB-CD1 4.26Å; N283-I331 HydrophobicContact CB-CG1 4.08Å; N283-A332 PolarHBondContact ND2-O 3.43Å; N283-P335 PolarHBondContact N-O 2.89Å; N283-V336 HydrophobicContact CB-CG1 4.17Å
284	Y	97.3	Very high	97.7	Very high	127 Å²	127	31.1 Å²	31.1	50%	0.498	16%	0.157	S	C	.	.	S	Bend	trans	-84.9	-4.1	177.2	-64.9	-87.6	0	0	0	114	V282 I337 D345	V282-Y284 HydrophobicContact CB-CD2 4.43Å; V282-Y284 HydrophobicContact CB-CE2 3.86Å; V282-Y284 HydrophobicContact CG1-CD2 4.29Å; V282-Y284 HydrophobicContact CG1-CE1 4.28Å; V282-Y284 HydrophobicContact CG1-CE2 4.01Å; Y284-I337 HydrophobicContact CD1-CD1 4.09Å; Y284-I337 HydrophobicContact CE1-CD1 3.56Å; Y284-D345 VanDerWaalsContact CE1-OD2 3.26Å; Y284-D345 WeakPolarHBondContact CE1-OD2 3.36Å; Y284-D345 PolarHBondContact OH-OD2 3.16Å
285	Q	97.6	Very high	97.7	Very high	99 Å²	99	36.3 Å²	36.3	46%	0.463	18%	0.179	S	C	.	.			trans	-128.5	48.6	-178.8	-61.2	-173.4	-17	0	0	113.2	N283 A287 K288 Y289	N283-Q285 VanDerWaalsContact C-N 3.34Å; N283-Q285 VanDerWaalsContact OD1-C 3.32Å; N283-Q285 PolarHBondContact OD1-N 3.48Å; Q285-A287 PolarHBondContact O-N 2.96Å; Q285-K288 HydrophobicContact CB-CB 4.28Å; Q285-K288 HydrophobicContact CB-CD 4.33Å; Q285-K288 WeakPolarHBondContact O-CB 3.39Å; Q285-K288 PolarHBondContact O-N 2.97Å; Q285-K288 VanDerWaalsContact OE1-NZ 3.14Å; Q285-Y289 HydrophobicContact CB-CE2 4.13Å; Q285-Y289 VanDerWaalsContact O-CD2 3.28Å; Q285-Y289 WeakPolarHBondContact O-CD2 3.24Å
286	P	98.1	Very high	97.6	Very high	19 Å²	19	41.1 Å²	41.1	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-43.1	-172.3	24.5	-33.3	0	0	0	113.4	S205 N283 K288 Y289 T290 V336	S205-P286 CarbonylContact O-C 3.43Å; N283-P286 WeakPolarHBondContact ND2-CA 3.04Å; P286-K288 PolarHBondContact O-N 2.82Å; P286-Y289 PolarHBondContact O-N 2.9Å; P286-T290 WeakPolarHBondContact O-CB 3.4Å; P286-T290 PolarHBondContact O-N 3.02Å; P286-T290 PolarHBondContact O-OG1 2.89Å; P286-T290 VanDerWaalsContact O-OG1 3.12Å; P286-V336 HydrophobicContact CB-CG1 3.74Å; P286-V336 HydrophobicContact CG-CG1 3.89Å
287	A	98.1	Very high	97.6	Very high	43 Å²	43	41.4 Å²	41.4	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-57.2	-36.9	-179.9	0	0	0	0	0	112.7	T206 Q285 R291	T206-A287 WeakPolarHBondContact O-CB 3.31Å; Q285-A287 PolarHBondContact O-N 2.96Å; A287-R291 WeakPolarHBondContact O-CB 3.29Å; A287-R291 VanDerWaalsContact O-CG 3.22Å; A287-R291 WeakPolarHBondContact O-CG 3.25Å; A287-R291 PolarHBondContact O-N 3.31Å
288	K	97.8	Very high	97.6	Very high	115 Å²	115	42 Å²	42	50%	0.5	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-49.9	178.8	175.4	-170	173.3	-168.3	0	111.4	Q285 P286 S292	Q285-K288 HydrophobicContact CB-CB 4.28Å; Q285-K288 HydrophobicContact CB-CD 4.33Å; Q285-K288 WeakPolarHBondContact O-CB 3.39Å; Q285-K288 PolarHBondContact O-N 2.97Å; Q285-K288 VanDerWaalsContact OE1-NZ 3.14Å; P286-K288 PolarHBondContact O-N 2.82Å; K288-S292 PolarHBondContact O-N 2.84Å; K288-S292 VanDerWaalsContact O-N 3.09Å
289	Y	98.1	Very high	97.6	Very high	10 Å²	10	41.7 Å²	41.7	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-73.5	-36.9	-177.3	-61.7	-60.2	0	0	0	112	Q285 P286 R291 S292 L293 V324 P326 A327 A332	Q285-Y289 HydrophobicContact CB-CE2 4.13Å; Q285-Y289 VanDerWaalsContact O-CD2 3.28Å; Q285-Y289 WeakPolarHBondContact O-CD2 3.24Å; P286-Y289 PolarHBondContact O-N 2.9Å; Y289-R291 PolarHBondContact O-N 3.21Å; Y289-S292 PolarHBondContact O-N 3.01Å; Y289-L293 PolarHBondContact O-N 3.27Å; Y289-V324 HydrophobicContact CD1-CG1 3.88Å; Y289-V324 HydrophobicContact CG-CG1 4.41Å; Y289-P326 HydrophobicContact CE1-CB 4.35Å; Y289-P326 WeakPolarHBondContact OH-CA 3.48Å; Y289-A327 PolarHBondContact OH-N 3.23Å; Y289-A332 HydrophobicContact CD1-CB 3.99Å; Y289-A332 HydrophobicContact CD2-CB 4.19Å; Y289-A332 WeakPolarHBondContact CD2-O 3.24Å; Y289-A332 HydrophobicContact CE1-CB 4.4Å; Y289-A332 HydrophobicContact CG-CB 3.88Å
290	T	98.4	Very high	97.5	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-44	172.8	-64.3	0	0	0	0	111.9	L204 S205 T206 P286 L293 A294 L307	L204-T290 HydrophobicContact CD1-CG2 4.04Å; L204-T290 HydrophobicContact CD2-CG2 3.96Å; L204-T290 HydrophobicContact CG-CG2 3.9Å; S205-T290 WeakPolarHBondContact O-CB 3.29Å; S205-T290 PolarHBondContact O-OG1 2.84Å; T206-T290 HydrophobicContact CG2-CG2 4.04Å; P286-T290 WeakPolarHBondContact O-CB 3.4Å; P286-T290 PolarHBondContact O-N 3.02Å; P286-T290 PolarHBondContact O-OG1 2.89Å; P286-T290 VanDerWaalsContact O-OG1 3.12Å; T290-L293 PolarHBondContact O-N 3.35Å; T290-A294 WeakPolarHBondContact O-CB 3.49Å; T290-A294 PolarHBondContact O-N 3.49Å; T290-L307 HydrophobicContact CG2-CD2 4.12Å
291	R	97.6	Very high	97.5	Very high	79 Å²	79	49 Å²	49	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-44.9	173.7	-76.2	-66.9	-142.1	-151.8	3.6	112.1	A287 Y289 L293 A294 E295 M301 L302	A287-R291 WeakPolarHBondContact O-CB 3.29Å; A287-R291 VanDerWaalsContact O-CG 3.22Å; A287-R291 WeakPolarHBondContact O-CG 3.25Å; A287-R291 PolarHBondContact O-N 3.31Å; Y289-R291 PolarHBondContact O-N 3.21Å; R291-L293 VanDerWaalsContact C-N 3.32Å; R291-L293 PolarHBondContact O-N 2.96Å; R291-A294 PolarHBondContact O-N 3.4Å; R291-E295 WeakPolarHBondContact O-CG 3.26Å; R291-E295 PolarHBondContact O-N 3.38Å; R291-M301 PolarHBondContact NH1-O 2.81Å; R291-L302 PolarHBondContact NH1-O 3.27Å; R291-L302 PolarHBondContact NH2-O 2.69Å
292	S	97.4	Very high	97.3	Very high	41 Å²	41	56.3 Å²	56.3	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-40.8	178.4	-172.6	0	0	0	0	112.5	K288 Y289 K296	K288-S292 PolarHBondContact O-N 2.84Å; K288-S292 VanDerWaalsContact O-N 3.09Å; Y289-S292 PolarHBondContact O-N 3.01Å; S292-K296 WeakPolarHBondContact O-CG 3.48Å; S292-K296 PolarHBondContact O-N 3.08Å
293	L	98.1	Very high	97.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-49.3	172.5	176.5	68.1	0	0	0	111.3	V200 L204 Y289 T290 R291 E295 K296 V297 Q322 V324 F333	V200-L293 HydrophobicContact CB-CD2 4.31Å; V200-L293 HydrophobicContact CG1-CD2 3.44Å; V200-L293 VanDerWaalsContact CG1-CD2 3.44Å; V200-L293 HydrophobicContact CG2-CD2 3.82Å; L204-L293 HydrophobicContact CD1-CD2 3.92Å; Y289-L293 PolarHBondContact O-N 3.27Å; T290-L293 PolarHBondContact O-N 3.35Å; R291-L293 VanDerWaalsContact C-N 3.32Å; R291-L293 PolarHBondContact O-N 2.96Å; L293-E295 VanDerWaalsContact C-N 3.28Å; L293-E295 PolarHBondContact O-N 3.24Å; L293-K296 WeakPolarHBondContact O-CB 3.42Å; L293-K296 PolarHBondContact O-N 3.37Å; L293-V297 HydrophobicContact CD1-CG1 4.38Å; L293-V297 PolarHBondContact O-N 3.27Å; L293-V297 VanDerWaalsContact O-N 3.12Å; L293-Q322 HydrophobicContact CD1-CB 3.59Å; L293-Q322 HydrophobicContact CD1-CG 3.67Å; L293-V324 HydrophobicContact CB-CG2 4.15Å; L293-V324 HydrophobicContact CD1-CG2 4.26Å; L293-F333 HydrophobicContact CB-CZ 4.06Å; L293-F333 HydrophobicContact CD2-CE1 4.45Å; L293-F333 HydrophobicContact CD2-CZ 3.99Å
294	A	98.1	Very high	97.3	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-39.3	-177.9	0	0	0	0	0	112.1	T290 R291 V297 G298 C299 L307	T290-A294 WeakPolarHBondContact O-CB 3.49Å; T290-A294 PolarHBondContact O-N 3.49Å; R291-A294 PolarHBondContact O-N 3.4Å; A294-V297 PolarHBondContact O-N 2.92Å; A294-G298 PolarHBondContact O-N 3.1Å; A294-G298 VanDerWaalsContact O-N 3.11Å; A294-C299 HydrophobicContact CB-CB 4.2Å; A294-C299 CarbonylContact O-C 3.56Å; A294-C299 WeakPolarHBondContact O-CA 3.23Å; A294-C299 PolarHBondContact O-N 3.25Å; A294-L307 HydrophobicContact CB-CD1 3.71Å; A294-L307 HydrophobicContact CB-CD2 4.15Å; A294-L307 HydrophobicContact CB-CG 3.9Å
295	E	97.1	Very high	97.3	Very high	116 Å²	116	59.1 Å²	59.1	54%	0.542	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-45.4	173.1	-73.3	174.5	179	0	0	112.3	R291 L293 V297 G298	R291-E295 WeakPolarHBondContact O-CG 3.26Å; R291-E295 PolarHBondContact O-N 3.38Å; L293-E295 VanDerWaalsContact C-N 3.28Å; L293-E295 PolarHBondContact O-N 3.24Å; E295-V297 VanDerWaalsContact C-N 3.31Å; E295-V297 PolarHBondContact O-N 2.93Å; E295-G298 PolarHBondContact O-N 2.84Å
296	K	97.4	Very high	97.4	Very high	104 Å²	104	58 Å²	58	45%	0.452	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-33.7	-178.5	-73.5	167	178	-92.9	0	113.2	S292 L293 Q322 Y323 V324	S292-K296 WeakPolarHBondContact O-CG 3.48Å; S292-K296 PolarHBondContact O-N 3.08Å; L293-K296 WeakPolarHBondContact O-CB 3.42Å; L293-K296 PolarHBondContact O-N 3.37Å; K296-Q322 HydrophobicContact CB-CG 4.41Å; K296-Q322 HydrophobicContact CD-CB 4.36Å; K296-Y323 WeakPolarHBondContact CE-O 3.45Å; K296-Y323 PolarHBondContact NZ-O 3.21Å; K296-V324 HydrophobicContact CD-CG2 4.28Å
297	V	98	Very high	97.4	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.042	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7	179.3	-53.6	0	0	0	0	113.2	L293 A294 E295 C299 L311 K314 E318 L319 Q322	L293-V297 HydrophobicContact CD1-CG1 4.38Å; L293-V297 PolarHBondContact O-N 3.27Å; L293-V297 VanDerWaalsContact O-N 3.12Å; A294-V297 PolarHBondContact O-N 2.92Å; E295-V297 VanDerWaalsContact C-N 3.31Å; E295-V297 PolarHBondContact O-N 2.93Å; V297-C299 HydrophobicContact CG2-CB 4.3Å; V297-L311 HydrophobicContact CG2-CD2 3.49Å; V297-L311 VanDerWaalsContact CG2-CD2 3.49Å; V297-K314 HydrophobicContact CG2-CG 4.46Å; V297-K314 WeakPolarHBondContact O-CE 3.4Å; V297-K314 PolarHBondContact O-NZ 3.14Å; V297-E318 HydrophobicContact CG1-CG 4.29Å; V297-L319 HydrophobicContact CG1-CD2 4.28Å; V297-L319 HydrophobicContact CG2-CD2 4.27Å; V297-Q322 HydrophobicContact CG1-CG 3.65Å
298	G	97.8	Very high	97.4	Very high	61 Å²	61	55.4 Å²	55.4	63%	0.629	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	24.4	176.2	0	0	0	0	0	115.3	A294 E295	A294-G298 PolarHBondContact O-N 3.1Å; A294-G298 VanDerWaalsContact O-N 3.11Å; E295-G298 PolarHBondContact O-N 2.84Å
299	C	97.8	Very high	97.4	Very high	1 Å²	1	54 Å²	54	1%	0.007	29%	0.287	C	S	.	.			trans	-100	44	171.9	-69	0	0	0	0	112.2	A294 V297 M301 C310 L311	A294-C299 HydrophobicContact CB-CB 4.2Å; A294-C299 CarbonylContact O-C 3.56Å; A294-C299 WeakPolarHBondContact O-CA 3.23Å; A294-C299 PolarHBondContact O-N 3.25Å; V297-C299 HydrophobicContact CG2-CB 4.3Å; C299-M301 PolarHBondContact O-N 3.11Å; C299-C310 WeakPolarHBondContact CA-SG 3.38Å; C299-C310 HydrophobicContact CB-CB 3.67Å; C299-C310 WeakPolarHBondContact CB-SG 3.43Å; C299-C310 WeakPolarHBondContact SG-CB 3.36Å; C299-C310 CovalentContact SG-SG 2.05Å; C299-C310 PolarHBondContact SG-SG 3.28Å; C299-L311 HydrophobicContact CB-CD2 3.98Å; C299-L311 HydrophobicContact CB-CG 4.28Å
300	N	93.6	Very high	97.4	Very high	104 Å²	104	55.1 Å²	55.1	56%	0.556	30%	0.296	S	S	*	.			trans	-81	56.3	-174.5	-165.5	14.1	0	0	0	113.3
301	M	95.6	Very high	97.4	Very high	86 Å²	86	55 Å²	55	42%	0.424	30%	0.295	S	S	.	.			trans	-89.3	140.4	177.2	-57.1	-61.8	-79.2	0	0	109.7	R291 C299 D306 L307	R291-M301 PolarHBondContact NH1-O 2.81Å; C299-M301 PolarHBondContact O-N 3.11Å; M301-D306 HydrophobicContact CB-CB 4.01Å; M301-D306 HydrophobicContact CE-CB 4.08Å; M301-D306 HydrophobicContact CG-CB 4.19Å; M301-L307 HydrophobicContact CB-CB 4.29Å
302	L	93.8	Very high	97.5	Very high	152 Å²	152	52.2 Å²	52.2	80%	0.796	29%	0.285	S	S	*	.	S	Bend	trans	-71.1	-42.1	178.5	-72.7	177.3	0	0	0	112.1	R291	R291-L302 PolarHBondContact NH1-O 3.27Å; R291-L302 PolarHBondContact NH2-O 2.69Å
303	D	97.8	Very high	97.5	Very high	76 Å²	76	57.6 Å²	57.6	41%	0.406	30%	0.303	S	S	.	.	S	Bend	trans	-68.3	133.3	173.9	-175.4	-88.1	0	0	0	110.4	I305 D306 L307	D303-I305 WeakPolarHBondContact OD1-CA 3.46Å; D303-I305 VanDerWaalsContact OD1-CB 3.28Å; D303-I305 WeakPolarHBondContact OD1-CB 3.48Å; D303-I305 PolarHBondContact OD1-N 2.92Å; D303-D306 HydrophobicContact CB-CB 4.23Å; D303-D306 PolarHBondContact OD1-N 3.04Å; D303-L307 WeakPolarHBondContact O-CB 3.28Å; D303-L307 PolarHBondContact O-N 2.92Å; D303-L307 VanDerWaalsContact O-N 3.12Å
304	T	97.9	Very high	97.5	Very high	29 Å²	29	59.8 Å²	59.8	18%	0.178	31%	0.313	C	S	.	.	H	α-helix	trans	-77.6	-26.8	-174.1	45.7	0	0	0	0	112.6	T206 D208 V308	T206-T304 HydrophobicContact CG2-CG2 4.22Å; D208-T304 WeakPolarHBondContact OD2-CB 3.2Å; D208-T304 VanDerWaalsContact OD2-CG2 3.31Å; D208-T304 WeakPolarHBondContact OD2-CG2 3.48Å; D208-T304 PolarHBondContact OD2-OG1 3.48Å; T304-V308 VanDerWaalsContact O-CG2 3.27Å; T304-V308 WeakPolarHBondContact O-CG2 3.38Å; T304-V308 PolarHBondContact O-N 3.4Å
305	I	98.1	Very high	97.5	Very high	95 Å²	95	64.1 Å²	64.1	49%	0.487	34%	0.336	S	S	.	.	H	α-helix	trans	-70	-50.9	175.4	-57.8	173.2	0	0	0	109	A210 D303 L307 V308 E309	A210-I305 HydrophobicContact CB-CG1 3.96Å; D303-I305 WeakPolarHBondContact OD1-CA 3.46Å; D303-I305 VanDerWaalsContact OD1-CB 3.28Å; D303-I305 WeakPolarHBondContact OD1-CB 3.48Å; D303-I305 PolarHBondContact OD1-N 2.92Å; I305-L307 PolarHBondContact O-N 2.78Å; I305-V308 PolarHBondContact O-N 2.93Å; I305-V308 VanDerWaalsContact O-N 3.11Å; I305-E309 PolarHBondContact O-N 3.06Å
306	D	98.3	Very high	97.5	Very high	74 Å²	74	60.5 Å²	60.5	40%	0.396	32%	0.318	S	S	.	.	H	α-helix	trans	-58.5	-37.2	176.2	-72.9	-20.4	0	0	0	112	M301 D303 C310	M301-D306 HydrophobicContact CB-CB 4.01Å; M301-D306 HydrophobicContact CE-CB 4.08Å; M301-D306 HydrophobicContact CG-CB 4.19Å; D303-D306 HydrophobicContact CB-CB 4.23Å; D303-D306 PolarHBondContact OD1-N 3.04Å; D306-C310 WeakPolarHBondContact O-CB 3.46Å; D306-C310 PolarHBondContact O-N 2.76Å
307	L	98.4	Very high	97.4	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-49.8	174.9	-179.6	157	0	0	0	111.1	T290 A294 M301 D303 I305 C310 L311	T290-L307 HydrophobicContact CG2-CD2 4.12Å; A294-L307 HydrophobicContact CB-CD1 3.71Å; A294-L307 HydrophobicContact CB-CD2 4.15Å; A294-L307 HydrophobicContact CB-CG 3.9Å; M301-L307 HydrophobicContact CB-CB 4.29Å; D303-L307 WeakPolarHBondContact O-CB 3.28Å; D303-L307 PolarHBondContact O-N 2.92Å; D303-L307 VanDerWaalsContact O-N 3.12Å; I305-L307 PolarHBondContact O-N 2.78Å; L307-C310 WeakPolarHBondContact O-CB 3.39Å; L307-C310 PolarHBondContact O-N 2.71Å; L307-L311 HydrophobicContact CD2-CD1 3.55Å; L307-L311 HydrophobicContact CD2-CG 4.19Å; L307-L311 WeakPolarHBondContact O-CG 3.25Å; L307-L311 PolarHBondContact O-N 3.24Å
308	V	98.4	Very high	97.4	Very high	6 Å²	6	63.7 Å²	63.7	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-43.8	-179.1	171.4	0	0	0	0	110.7	F81 T206 A210 A211 T304 I305 C310 L311 Q312	F81-V308 HydrophobicContact CD2-CG1 4.16Å; T206-V308 HydrophobicContact CG2-CG2 3.81Å; A210-V308 HydrophobicContact CB-CG2 4.11Å; A211-V308 HydrophobicContact CB-CG1 4.46Å; A211-V308 HydrophobicContact CB-CG2 3.7Å; T304-V308 VanDerWaalsContact O-CG2 3.27Å; T304-V308 WeakPolarHBondContact O-CG2 3.38Å; T304-V308 PolarHBondContact O-N 3.4Å; I305-V308 PolarHBondContact O-N 2.93Å; I305-V308 VanDerWaalsContact O-N 3.11Å; V308-C310 VanDerWaalsContact C-N 3.25Å; V308-C310 PolarHBondContact O-N 2.86Å; V308-L311 PolarHBondContact O-N 3.19Å; V308-Q312 HydrophobicContact CG1-CG 4.41Å; V308-Q312 WeakPolarHBondContact O-CG 3.4Å; V308-Q312 PolarHBondContact O-N 2.79Å
309	E	98.2	Very high	97.4	Very high	86 Å²	86	60.8 Å²	60.8	40%	0.402	30%	0.302	S	S	.	.	H	α-helix	trans	-59.4	-36.7	174.9	-73.5	-171.2	-171.3	0	0	112.3	I305 K313	I305-E309 PolarHBondContact O-N 3.06Å; E309-K313 WeakPolarHBondContact O-CD 3.45Å; E309-K313 WeakPolarHBondContact O-CG 3.41Å; E309-K313 PolarHBondContact O-N 2.92Å
310	C	98.4	Very high	97.2	Very high	34 Å²	34	61.9 Å²	61.9	23%	0.23	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-45	173.5	-179.7	0	0	0	0	111.5	C299 D306 L307 V308 Q312 K313	C299-C310 WeakPolarHBondContact CA-SG 3.38Å; C299-C310 HydrophobicContact CB-CB 3.67Å; C299-C310 WeakPolarHBondContact CB-SG 3.43Å; C299-C310 WeakPolarHBondContact SG-CB 3.36Å; C299-C310 CovalentContact SG-SG 2.05Å; C299-C310 PolarHBondContact SG-SG 3.28Å; D306-C310 WeakPolarHBondContact O-CB 3.46Å; D306-C310 PolarHBondContact O-N 2.76Å; L307-C310 WeakPolarHBondContact O-CB 3.39Å; L307-C310 PolarHBondContact O-N 2.71Å; V308-C310 VanDerWaalsContact C-N 3.25Å; V308-C310 PolarHBondContact O-N 2.86Å; C310-Q312 PolarHBondContact O-N 2.61Å; C310-K313 PolarHBondContact O-N 3.46Å
311	L	98.4	Very high	97.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-35.4	178.1	-67.7	178.4	0	0	0	112.8	R80 F81 L204 V297 C299 L307 V308 K313 K314 L319	R80-L311 PolarHBondContact NH1-O 2.96Å; R80-L311 VanDerWaalsContact NH1-O 3.12Å; F81-L311 HydrophobicContact CE2-CB 3.87Å; F81-L311 HydrophobicContact CZ-CB 4.43Å; L204-L311 HydrophobicContact CD1-CD1 3.61Å; V297-L311 HydrophobicContact CG2-CD2 3.49Å; V297-L311 VanDerWaalsContact CG2-CD2 3.49Å; C299-L311 HydrophobicContact CB-CD2 3.98Å; C299-L311 HydrophobicContact CB-CG 4.28Å; L307-L311 HydrophobicContact CD2-CD1 3.55Å; L307-L311 HydrophobicContact CD2-CG 4.19Å; L307-L311 WeakPolarHBondContact O-CG 3.25Å; L307-L311 PolarHBondContact O-N 3.24Å; V308-L311 PolarHBondContact O-N 3.19Å; L311-K313 PolarHBondContact O-N 3.2Å; L311-K314 WeakPolarHBondContact O-CB 3.29Å; L311-K314 PolarHBondContact O-N 2.04Å; L311-K314 VanDerWaalsContact O-N 3.16Å; L311-L319 HydrophobicContact CD2-CD2 3.95Å
312	Q	98.1	Very high	97.2	Very high	21 Å²	21	59.7 Å²	59.7	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-32.4	175	-73.7	175.9	-43.3	0	0	112.2	E78 R80 F81 V308 C310 K314	E78-Q312 PolarHBondContact O-NE2 3.48Å; R80-Q312 HydrophobicContact CB-CG 4.4Å; R80-Q312 PolarHBondContact NH1-O 3.48Å; R80-Q312 VanDerWaalsContact NH1-O 3.07Å; R80-Q312 PolarHBondContact O-NE2 3.44Å; F81-Q312 HydrophobicContact CD2-CG 3.73Å; F81-Q312 HydrophobicContact CE2-CG 4.11Å; V308-Q312 HydrophobicContact CG1-CG 4.41Å; V308-Q312 WeakPolarHBondContact O-CG 3.4Å; V308-Q312 PolarHBondContact O-N 2.79Å; C310-Q312 PolarHBondContact O-N 2.61Å; Q312-K314 VanDerWaalsContact C-N 3.3Å; Q312-K314 PolarHBondContact O-N 3.16Å
313	K	97.7	Very high	96.8	Very high	153 Å²	153	57.4 Å²	57.4	67%	0.665	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.4	178.4	-68.1	164.7	-172.8	155.5	0	113.7	E309 C310 L311	E309-K313 WeakPolarHBondContact O-CD 3.45Å; E309-K313 WeakPolarHBondContact O-CG 3.41Å; E309-K313 PolarHBondContact O-N 2.92Å; C310-K313 PolarHBondContact O-N 3.46Å; L311-K313 PolarHBondContact O-N 3.2Å
314	K	98.1	Very high	96.5	Very high	48 Å²	48	54.6 Å²	54.6	21%	0.209	26%	0.26	C	S	.	.	S	Bend	trans	-73.8	153.2	178.2	-65.2	-56.8	-164.6	151.8	0	112	R80 V297 L311 Q312 E318 L319	R80-K314 PolarHBondContact NH1-O 3.43Å; R80-K314 PolarHBondContact NH2-O 3.05Å; V297-K314 HydrophobicContact CG2-CG 4.46Å; V297-K314 WeakPolarHBondContact O-CE 3.4Å; V297-K314 PolarHBondContact O-NZ 3.14Å; L311-K314 WeakPolarHBondContact O-CB 3.29Å; L311-K314 PolarHBondContact O-N 2.04Å; L311-K314 VanDerWaalsContact O-N 3.16Å; Q312-K314 VanDerWaalsContact C-N 3.3Å; Q312-K314 PolarHBondContact O-N 3.16Å; K314-E318 IonicContact NZ-OE1 3.85Å; K314-E318 PolarHBondContact NZ-OE1 3.16Å; K314-E318 IonicContact NZ-OE2 3.5Å; K314-L319 HydrophobicContact CB-CD1 4.38Å; K314-L319 HydrophobicContact CB-CD2 3.77Å; K314-L319 HydrophobicContact CB-CG 4.02Å; K314-L319 HydrophobicContact CG-CD2 4.08Å
315	N	98	Very high	96	Very high	91 Å²	91	57 Å²	57	49%	0.487	28%	0.275	S	S	.	.			trans	-68.8	137.7	166.6	-169.4	-66.8	0	0	0	108.7	K317 E318 L319	N315-K317 PolarHBondContact O-N 3.48Å; N315-K317 VanDerWaalsContact O-N 3.16Å; N315-K317 WeakPolarHBondContact OD1-CB 3.5Å; N315-K317 WeakPolarHBondContact OD1-CG 2.95Å; N315-K317 PolarHBondContact OD1-N 3.28Å; N315-E318 HydrophobicContact CB-CB 4.48Å; N315-E318 WeakPolarHBondContact O-CB 3.21Å; N315-E318 PolarHBondContact O-N 3.37Å; N315-L319 PolarHBondContact O-N 3.36Å
316	Y	97.4	Very high	95.6	Very high	41 Å²	41	53.7 Å²	53.7	16%	0.161	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-33.1	-179	73.3	-104.7	0	0	0	112.6	P104 Q135 E137 E318 L319 I320	P104-Y316 HydrophobicContact CB-CD2 3.42Å; P104-Y316 VanDerWaalsContact CB-CD2 3.42Å; P104-Y316 HydrophobicContact CB-CE2 3.71Å; P104-Y316 HydrophobicContact CB-CG 4.27Å; P104-Y316 HydrophobicContact CG-CD2 3.64Å; P104-Y316 HydrophobicContact CG-CE2 3.91Å; P104-Y316 HydrophobicContact CG-CG 4.07Å; Q135-Y316 PolarHBondContact O-OH 3.06Å; E137-Y316 HydrophobicContact CG-CD1 3.73Å; E137-Y316 HydrophobicContact CG-CG 3.88Å; E137-Y316 VanDerWaalsContact OE1-CB 3.24Å; E137-Y316 WeakPolarHBondContact OE1-CB 3.34Å; Y316-E318 VanDerWaalsContact C-N 3.34Å; Y316-E318 PolarHBondContact O-N 3.33Å; Y316-L319 WeakPolarHBondContact O-CB 3.35Å; Y316-L319 PolarHBondContact O-N 3.41Å; Y316-L319 VanDerWaalsContact O-N 3.1Å; Y316-I320 HydrophobicContact CD2-CD1 4.22Å; Y316-I320 HydrophobicContact CE2-CD1 4.47Å; Y316-I320 PolarHBondContact O-N 2.8Å
317	K	96.6	Very high	95.2	Very high	105 Å²	105	52.2 Å²	52.2	46%	0.457	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-44.1	176.8	-65.3	-170.5	177.2	-169.1	0	111.5	N315 L319 I320 E321	N315-K317 PolarHBondContact O-N 3.48Å; N315-K317 VanDerWaalsContact O-N 3.16Å; N315-K317 WeakPolarHBondContact OD1-CB 3.5Å; N315-K317 WeakPolarHBondContact OD1-CG 2.95Å; N315-K317 PolarHBondContact OD1-N 3.28Å; K317-L319 PolarHBondContact O-N 3.04Å; K317-L319 VanDerWaalsContact O-N 3.17Å; K317-I320 PolarHBondContact O-N 3.45Å; K317-E321 VanDerWaalsContact O-CB 3.3Å; K317-E321 WeakPolarHBondContact O-CB 3.43Å; K317-E321 WeakPolarHBondContact O-CG 3.33Å; K317-E321 PolarHBondContact O-N 3.27Å; K317-E321 VanDerWaalsContact O-N 3.08Å
318	E	97.1	Very high	94.8	Very high	72 Å²	72	56.1 Å²	56.1	34%	0.336	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-27.4	177.1	-167.9	-176.2	159.7	0	0	111.9	V297 K314 N315 Y316 Q322	V297-E318 HydrophobicContact CG1-CG 4.29Å; K314-E318 IonicContact NZ-OE1 3.85Å; K314-E318 PolarHBondContact NZ-OE1 3.16Å; K314-E318 IonicContact NZ-OE2 3.5Å; N315-E318 HydrophobicContact CB-CB 4.48Å; N315-E318 WeakPolarHBondContact O-CB 3.21Å; N315-E318 PolarHBondContact O-N 3.37Å; Y316-E318 VanDerWaalsContact C-N 3.34Å; Y316-E318 PolarHBondContact O-N 3.33Å; E318-Q322 WeakPolarHBondContact O-CG 3.22Å; E318-Q322 PolarHBondContact O-NE2 3.35Å
319	L	97.4	Very high	94.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-81.8	-48.7	178.4	-59.2	179.8	0	0	0	112.4	F81 V200 L201 V297 L311 K314 N315 Y316 K317 Q322	F81-L319 HydrophobicContact CZ-CD1 4.18Å; V200-L319 HydrophobicContact CG1-CB 4.31Å; L201-L319 HydrophobicContact CD2-CD1 4.07Å; V297-L319 HydrophobicContact CG1-CD2 4.28Å; V297-L319 HydrophobicContact CG2-CD2 4.27Å; L311-L319 HydrophobicContact CD2-CD2 3.95Å; K314-L319 HydrophobicContact CB-CD1 4.38Å; K314-L319 HydrophobicContact CB-CD2 3.77Å; K314-L319 HydrophobicContact CB-CG 4.02Å; K314-L319 HydrophobicContact CG-CD2 4.08Å; N315-L319 PolarHBondContact O-N 3.36Å; Y316-L319 WeakPolarHBondContact O-CB 3.35Å; Y316-L319 PolarHBondContact O-N 3.41Å; Y316-L319 VanDerWaalsContact O-N 3.1Å; K317-L319 PolarHBondContact O-N 3.04Å; K317-L319 VanDerWaalsContact O-N 3.17Å; L319-Q322 PolarHBondContact O-N 2.99Å
320	I	94.5	Very high	94.3	Very high	23 Å²	23	54.6 Å²	54.6	12%	0.118	27%	0.267	C	S	.	.	H	α-helix	trans	-75.7	-24	-173.8	66.1	174.5	0	0	0	113.2	P104 Y316 K317 Q322	P104-I320 HydrophobicContact CB-CD1 3.77Å; P104-I320 HydrophobicContact CB-CG2 4.33Å; Y316-I320 HydrophobicContact CD2-CD1 4.22Å; Y316-I320 HydrophobicContact CE2-CD1 4.47Å; Y316-I320 PolarHBondContact O-N 2.8Å; K317-I320 PolarHBondContact O-N 3.45Å; I320-Q322 PolarHBondContact O-N 3.33Å
321	E	94.3	Very high	94.2	Very high	92 Å²	92	53.1 Å²	53.1	43%	0.43	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.7	179	-68.9	170.3	-170.2	0	0	112.6	F106 K317	F106-E321 HydrophobicContact CD2-CG 3.96Å; F106-E321 HydrophobicContact CE2-CG 4.1Å; F106-E321 HydrophobicContact CG-CG 4.39Å; K317-E321 VanDerWaalsContact O-CB 3.3Å; K317-E321 WeakPolarHBondContact O-CB 3.43Å; K317-E321 WeakPolarHBondContact O-CG 3.33Å; K317-E321 PolarHBondContact O-N 3.27Å; K317-E321 VanDerWaalsContact O-N 3.08Å
322	Q	93.8	Very high	94	Very high	53 Å²	53	53.6 Å²	53.6	25%	0.248	26%	0.26	C	S	.	.	S	Bend	trans	-80.3	125.7	-179.2	-58.7	-52.8	-41.5	0	0	112.4	L293 K296 V297 E318 L319 I320 V324	L293-Q322 HydrophobicContact CD1-CB 3.59Å; L293-Q322 HydrophobicContact CD1-CG 3.67Å; K296-Q322 HydrophobicContact CB-CG 4.41Å; K296-Q322 HydrophobicContact CD-CB 4.36Å; V297-Q322 HydrophobicContact CG1-CG 3.65Å; E318-Q322 WeakPolarHBondContact O-CG 3.22Å; E318-Q322 PolarHBondContact O-NE2 3.35Å; L319-Q322 PolarHBondContact O-N 2.99Å; I320-Q322 PolarHBondContact O-N 3.33Å; Q322-V324 HydrophobicContact CB-CG2 4.46Å; Q322-V324 PolarHBondContact O-N 3.02Å; Q322-V324 VanDerWaalsContact O-N 3.1Å
323	Y	86.6	Confident	94	Very high	103 Å²	103	53.3 Å²	53.3	40%	0.404	26%	0.258	S	S	.	.			trans	-76.6	100.5	174.8	-166	-113	0	0	0	110.9	R110 F111 K296 T325	R110-Y323 HydrophobicContact CB-CE2 4.49Å; R110-Y323 WeakPolarHBondContact O-CE2 3.4Å; F111-Y323 AromaticContact CD1-CD2 3.69Å; F111-Y323 HydrophobicContact CD1-CD2 3.69Å; F111-Y323 HydrophobicContact CD1-CE2 4.42Å; F111-Y323 HydrophobicContact CD2-CD2 4.21Å; F111-Y323 VanDerWaalsContact CE1-CA 3.5Å; F111-Y323 AromaticContact CE1-CD2 3.57Å; F111-Y323 HydrophobicContact CE1-CD2 3.57Å; F111-Y323 HydrophobicContact CE1-CG 4.18Å; F111-Y323 HydrophobicContact CE2-CD2 4.09Å; F111-Y323 HydrophobicContact CG-CD2 4.03Å; F111-Y323 HydrophobicContact CG-CE2 4.44Å; F111-Y323 AromaticContact CZ-CD2 3.77Å; F111-Y323 HydrophobicContact CZ-CD2 3.77Å; F111-Y323 HydrophobicContact CZ-CG 4.27Å; K296-Y323 WeakPolarHBondContact CE-O 3.45Å; K296-Y323 PolarHBondContact NZ-O 3.21Å; Y323-T325 WeakPolarHBondContact CD1-OG1 3.25Å; Y323-T325 HydrophobicContact CE1-CG2 4.47Å; Y323-T325 WeakPolarHBondContact CE1-OG1 3.2Å
324	V	90.9	Very high	94	Very high	17 Å²	17	46 Å²	46	10%	0.103	23%	0.227	C	C	.	.			trans	-114.1	97.6	174.6	-178.2	0	0	0	0	108.5	Y289 L293 K296 Q322 P326 A332 F333	Y289-V324 HydrophobicContact CD1-CG1 3.88Å; Y289-V324 HydrophobicContact CG-CG1 4.41Å; L293-V324 HydrophobicContact CB-CG2 4.15Å; L293-V324 HydrophobicContact CD1-CG2 4.26Å; K296-V324 HydrophobicContact CD-CG2 4.28Å; Q322-V324 HydrophobicContact CB-CG2 4.46Å; Q322-V324 PolarHBondContact O-N 3.02Å; Q322-V324 VanDerWaalsContact O-N 3.1Å; V324-P326 WeakPolarHBondContact O-CD 3.49Å; V324-A332 HydrophobicContact CG1-CB 4.16Å; V324-F333 HydrophobicContact CB-CE2 4.01Å; V324-F333 HydrophobicContact CG1-CE2 4.04Å; V324-F333 HydrophobicContact CG1-CZ 4.36Å; V324-F333 HydrophobicContact CG2-CE2 4.21Å
325	T	87.5	Confident	94.1	Very high	80 Å²	80	43.7 Å²	43.7	49%	0.491	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-83	121.5	-174.1	-39.8	0	0	0	0	111	Y323	Y323-T325 WeakPolarHBondContact CD1-OG1 3.25Å; Y323-T325 HydrophobicContact CE1-CG2 4.47Å; Y323-T325 WeakPolarHBondContact CE1-OG1 3.2Å
326	P	90.2	Very high	94.1	Very high	25 Å²	25	39.6 Å²	39.6	16%	0.162	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-73.7	170.8	169.9	31.4	-33.1	0	0	0	111.8	L113 Y289 V324 H330 A332	L113-P326 HydrophobicContact CD2-CG 4.44Å; Y289-P326 HydrophobicContact CE1-CB 4.35Å; Y289-P326 WeakPolarHBondContact OH-CA 3.48Å; V324-P326 WeakPolarHBondContact O-CD 3.49Å; P326-H330 WeakPolarHBondContact CB-O 3.48Å; P326-H330 VanDerWaalsContact CG-O 3.23Å; P326-H330 WeakPolarHBondContact CG-O 3.06Å; P326-A332 HydrophobicContact CB-CB 4.04Å; P326-A332 HydrophobicContact CG-CB 4.33Å
327	A	90.2	Very high	94.2	Very high	43 Å²	43	40.6 Å²	40.6	36%	0.355	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-58	145.1	160	0	0	0	0	0	109.6	Y289 Y329 H330	Y289-A327 PolarHBondContact OH-N 3.23Å; A327-Y329 PolarHBondContact O-N 2.85Å; A327-H330 HydrophobicContact CB-CB 4.34Å; A327-H330 WeakPolarHBondContact O-CB 3.42Å; A327-H330 PolarHBondContact O-N 3.31Å
328	K	89.9	Confident	94.2	Very high	85 Å²	85	37.2 Å²	37.2	37%	0.37	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	140.5	178.5	-159.7	179.1	-179.2	-175.5	0	110.3	H330 D394 H398	K328-H330 PolarHBondContact O-N 3.02Å; K328-H330 PolarHBondContact O-ND1 2.92Å; K328-D394 IonicContact NZ-OD2 3.24Å; K328-D394 PolarHBondContact NZ-OD2 2.98Å; K328-H398 HydrophobicContact CB-CB 4.12Å; K328-H398 WeakPolarHBondContact CB-CD2 3.35Å
329	Y	92.4	Very high	94.2	Very high	10 Å²	10	36.4 Å²	36.4	4%	0.039	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	13.4	-175.3	-37.1	-57.6	0	0	0	115.8	S279 A327 F372 F395 H398 L399 F437	S279-Y329 WeakPolarHBondContact CB-O 3.37Å; S279-Y329 PolarHBondContact OG-O 3.13Å; A327-Y329 PolarHBondContact O-N 2.85Å; Y329-F372 WeakPolarHBondContact OH-CE2 3.4Å; Y329-F395 HydrophobicContact CE2-CD2 4.31Å; Y329-H398 HydrophobicContact CD2-CB 3.83Å; Y329-H398 HydrophobicContact CE2-CB 3.81Å; Y329-L399 HydrophobicContact CD2-CD1 4.22Å; Y329-L399 HydrophobicContact CD2-CD2 4.18Å; Y329-L399 HydrophobicContact CD2-CG 3.86Å; Y329-L399 HydrophobicContact CG-CD2 4.45Å; Y329-F437 AromaticContact CD1-CE2 3.56Å; Y329-F437 HydrophobicContact CD1-CE2 3.56Å; Y329-F437 AromaticContact CD1-CZ 3.52Å; Y329-F437 HydrophobicContact CD1-CZ 3.52Å; Y329-F437 AromaticContact CE1-CE2 3.38Å; Y329-F437 HydrophobicContact CE1-CE2 3.38Å; Y329-F437 AromaticContact CE1-CZ 3.56Å; Y329-F437 HydrophobicContact CE1-CZ 3.56Å; Y329-F437 HydrophobicContact CG-CE2 4.22Å; Y329-F437 HydrophobicContact CG-CZ 4.45Å; Y329-F437 AromaticContact CZ-CE2 3.92Å
330	H	93.8	Very high	94.2	Very high	50 Å²	50	38.5 Å²	38.5	23%	0.231	21%	0.211	C	C	.	.	S	Bend	trans	-122.9	170.5	172.7	-59.6	79.1	0	0	0	109.8	S279 P326 A327 K328	S279-H330 PolarHBondContact O-CD2 3.34Å; P326-H330 WeakPolarHBondContact CB-O 3.48Å; P326-H330 VanDerWaalsContact CG-O 3.23Å; P326-H330 WeakPolarHBondContact CG-O 3.06Å; A327-H330 HydrophobicContact CB-CB 4.34Å; A327-H330 WeakPolarHBondContact O-CB 3.42Å; A327-H330 PolarHBondContact O-N 3.31Å; K328-H330 PolarHBondContact O-N 3.02Å; K328-H330 PolarHBondContact O-ND1 2.92Å
331	I	94.7	Very high	94.4	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.015	21%	0.207	C	C	.	.			trans	-114	148.7	-178.2	57.6	172.5	0	0	0	111.4	L113 M116 Y170 W280 N283	L113-I331 HydrophobicContact CD1-CG2 4.28Å; M116-I331 HydrophobicContact CE-CG2 4.04Å; M116-I331 HydrophobicContact SD-CG2 4.5Å; Y170-I331 HydrophobicContact CD2-CD1 3.77Å; Y170-I331 HydrophobicContact CD2-CG2 4.49Å; Y170-I331 HydrophobicContact CE2-CD1 3.7Å; W280-I331 HydrophobicContact CB-CG2 4.04Å; W280-I331 WeakPolarHBondContact O-CD1 3.36Å; W280-I331 WeakPolarHBondContact O-CG2 3.24Å; N283-I331 HydrophobicContact CB-CD1 4.26Å; N283-I331 HydrophobicContact CB-CG1 4.08Å
332	A	95.6	Very high	94.6	Very high	9 Å²	9	33.2 Å²	33.2	7%	0.074	19%	0.186	C	C	.	.	S	Bend	trans	-91.1	-38.6	177	0	0	0	0	0	112.5	N283 Y289 V324 P326	N283-A332 PolarHBondContact ND2-O 3.43Å; Y289-A332 HydrophobicContact CD1-CB 3.99Å; Y289-A332 HydrophobicContact CD2-CB 4.19Å; Y289-A332 WeakPolarHBondContact CD2-O 3.24Å; Y289-A332 HydrophobicContact CE1-CB 4.4Å; Y289-A332 HydrophobicContact CG-CB 3.88Å; V324-A332 HydrophobicContact CG1-CB 4.16Å; P326-A332 HydrophobicContact CB-CB 4.04Å; P326-A332 HydrophobicContact CG-CB 4.33Å
333	F	97.8	Very high	94.8	Very high	15 Å²	15	33.2 Å²	33.2	7%	0.066	19%	0.191	C	C	.	.	S	Bend	trans	-134.3	108.8	178.7	-60.3	-73.6	0	0	0	108.8	V200 F203 L293 V324	V200-F333 HydrophobicContact CG2-CD1 4.45Å; V200-F333 HydrophobicContact CG2-CD2 3.83Å; V200-F333 HydrophobicContact CG2-CE1 4.35Å; V200-F333 HydrophobicContact CG2-CE2 3.71Å; V200-F333 HydrophobicContact CG2-CG 4.21Å; V200-F333 HydrophobicContact CG2-CZ 3.99Å; F203-F333 HydrophobicContact CB-CB 4.3Å; L293-F333 HydrophobicContact CB-CZ 4.06Å; L293-F333 HydrophobicContact CD2-CE1 4.45Å; L293-F333 HydrophobicContact CD2-CZ 3.99Å; V324-F333 HydrophobicContact CB-CE2 4.01Å; V324-F333 HydrophobicContact CG1-CE2 4.04Å; V324-F333 HydrophobicContact CG1-CZ 4.36Å; V324-F333 HydrophobicContact CG2-CE2 4.21Å
334	G	97.9	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-169.8	-168.5	176.9	0	0	0	0	0	109.7	F203	F203-G334 VanDerWaalsContact CB-CA 3.49Å; F203-G334 VanDerWaalsContact CB-N 3.31Å; F203-G334 WeakPolarHBondContact CB-O 3.34Å; F203-G334 VanDerWaalsContact CG-CA 3.42Å
335	P	98.8	Very high	95.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.193	C	C	.	.			trans	-50.5	142.9	-177.7	-29.2	36.7	0	0	0	113.4	Y170 F203 N214 L217 L255 V282 N283	Y170-P335 HydrophobicContact CD1-CG 4.44Å; Y170-P335 HydrophobicContact CE1-CG 3.96Å; Y170-P335 HydrophobicContact CE2-CG 4.34Å; F203-P335 HydrophobicContact CD1-CG 4.47Å; F203-P335 HydrophobicContact CE1-CG 4.04Å; N214-P335 WeakPolarHBondContact OD1-CA 3.29Å; L217-P335 HydrophobicContact CD1-CB 4.11Å; L217-P335 HydrophobicContact CD1-CG 4.29Å; L255-P335 HydrophobicContact CD1-CB 3.61Å; L255-P335 HydrophobicContact CD1-CG 3.54Å; V282-P335 CarbonylContact C-O 3.29Å; V282-P335 WeakPolarHBondContact CA-O 3.39Å; N283-P335 PolarHBondContact N-O 2.89Å
336	V	98.8	Very high	96.2	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.024	17%	0.169	C	C	.	.			trans	-127.7	155.1	178.2	-62.3	0	0	0	0	110.3	K212 N214 N283 P286 D338	K212-V336 WeakPolarHBondContact O-CG2 3.26Å; N214-V336 PolarHBondContact ND2-O 2.86Å; N214-V336 PolarHBondContact OD1-N 2.93Å; N214-V336 PolarHBondContact OD1-O 3.49Å; N283-V336 HydrophobicContact CB-CG1 4.17Å; P286-V336 HydrophobicContact CB-CG1 3.74Å; P286-V336 HydrophobicContact CG-CG1 3.89Å; V336-D338 HydrophobicContact CG2-CB 4.26Å; V336-D338 PolarHBondContact O-N 2.95Å
337	I	98.7	Very high	96.4	Very high	62 Å²	62	32.4 Å²	32.4	32%	0.318	19%	0.185	S	C	.	.			trans	-80.1	97	167.8	-56.4	165.6	0	0	0	106.9	V282 Y284 I342 D345	V282-I337 HydrophobicContact CG1-CG1 4.13Å; Y284-I337 HydrophobicContact CD1-CD1 4.09Å; Y284-I337 HydrophobicContact CE1-CD1 3.56Å; I337-I342 HydrophobicContact CG1-CG2 4.38Å; I337-D345 HydrophobicContact CD1-CB 4.09Å
338	D	97.9	Very high	96.8	Very high	35 Å²	35	33.3 Å²	33.3	19%	0.187	18%	0.184	C	C	.	.			trans	-94.3	-7.3	-177.3	61.5	-13.5	0	0	0	113.1	N214 V336 D340 V341 I342	N214-D338 PolarHBondContact ND2-OD1 3.02Å; N214-D338 PolarHBondContact ND2-OD2 3.19Å; N214-D338 VanDerWaalsContact ND2-OD2 3.14Å; V336-D338 HydrophobicContact CG2-CB 4.26Å; V336-D338 PolarHBondContact O-N 2.95Å; D338-D340 PolarHBondContact O-N 2.86Å; D338-D340 PolarHBondContact OD1-N 3.47Å; D338-D340 VanDerWaalsContact OD1-N 3.14Å; D338-V341 PolarHBondContact OD1-N 2.92Å; D338-V341 WeakPolarHBondContact OD2-CB 3.43Å; D338-V341 WeakPolarHBondContact OD2-CG2 3.35Å; D338-V341 PolarHBondContact OD2-N 3.41Å; D338-I342 PolarHBondContact N-O 3.5Å; D338-I342 PolarHBondContact OD1-N 3.37Å
339	G	97.6	Very high	97.1	Very high	54 Å²	54	29.5 Å²	29.5	56%	0.557	17%	0.167	S	C	*	.	S	Bend	trans	75.1	13	-175.7	0	0	0	0	0	113.4	I342	G339-I342 PolarHBondContact N-O 3.05Å; G339-I342 VanDerWaalsContact N-O 3.13Å
340	D	97.3	Very high	97.2	Very high	46 Å²	46	29 Å²	29	25%	0.246	17%	0.165	C	C	.	.	S	Bend	trans	-139	-80.6	-175.3	-169.8	8.3	0	0	0	110.2	K212 H260 Y261 D338 I342	K212-D340 IonicContact NZ-OD2 3.72Å; H260-D340 PolarHBondContact CE1-O 3.44Å; H260-D340 IonicContact CE1-OD1 3.6Å; H260-D340 PolarHBondContact ND1-O 3.04Å; Y261-D340 WeakPolarHBondContact CE2-OD1 3.38Å; Y261-D340 VanDerWaalsContact OH-CG 3.32Å; Y261-D340 PolarHBondContact OH-OD1 3.22Å; Y261-D340 PolarHBondContact OH-OD2 3.41Å; D338-D340 PolarHBondContact O-N 2.86Å; D338-D340 PolarHBondContact OD1-N 3.47Å; D338-D340 VanDerWaalsContact OD1-N 3.14Å; D340-I342 VanDerWaalsContact C-N 3.33Å; D340-I342 PolarHBondContact O-N 3.38Å
341	V	97.9	Very high	97.2	Very high	3 Å²	3	31 Å²	31	2%	0.018	18%	0.175	C	C	.	.	S	Bend	trans	-61.9	-45.4	176.6	-179.2	0	0	0	0	110.4	N214 L217 L218 I221 S259 Y261 D338	N214-V341 HydrophobicContact CB-CB 4.23Å; N214-V341 HydrophobicContact CB-CG1 4.32Å; N214-V341 HydrophobicContact CB-CG2 4.34Å; L217-V341 HydrophobicContact CB-CG1 4.37Å; L217-V341 HydrophobicContact CD1-CG1 4.4Å; L218-V341 HydrophobicContact CD1-CG2 4.17Å; L218-V341 HydrophobicContact CD2-CG2 3.7Å; L218-V341 HydrophobicContact CG-CG2 3.92Å; I221-V341 HydrophobicContact CD1-CG1 4.29Å; S259-V341 WeakPolarHBondContact CB-O 3.32Å; S259-V341 PolarHBondContact OG-O 3.21Å; Y261-V341 HydrophobicContact CD2-CG2 4.37Å; Y261-V341 HydrophobicContact CE2-CG2 4.22Å; D338-V341 PolarHBondContact OD1-N 2.92Å; D338-V341 WeakPolarHBondContact OD2-CB 3.43Å; D338-V341 WeakPolarHBondContact OD2-CG2 3.35Å; D338-V341 PolarHBondContact OD2-N 3.41Å
342	I	98.4	Very high	97.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.2	C	C	.	.	S	Bend	trans	-117.1	97.5	171.8	-54.5	-59.4	0	0	0	106.8	L217 L255 I337 D338 G339 D340 D344 L349	L217-I342 HydrophobicContact CD1-CD1 4.21Å; L217-I342 HydrophobicContact CD1-CG1 4.18Å; L255-I342 HydrophobicContact CB-CD1 4.04Å; L255-I342 HydrophobicContact CD2-CD1 3.91Å; L255-I342 HydrophobicContact CD2-CG1 4.43Å; I337-I342 HydrophobicContact CG1-CG2 4.38Å; D338-I342 PolarHBondContact N-O 3.5Å; D338-I342 PolarHBondContact OD1-N 3.37Å; G339-I342 PolarHBondContact N-O 3.05Å; G339-I342 VanDerWaalsContact N-O 3.13Å; D340-I342 VanDerWaalsContact C-N 3.33Å; D340-I342 PolarHBondContact O-N 3.38Å; I342-D344 WeakPolarHBondContact CG2-O 3.28Å; I342-D344 PolarHBondContact O-N 2.83Å; I342-L349 HydrophobicContact CG2-CD1 4.29Å
343	P	97.6	Very high	96.9	Very high	53 Å²	53	36.6 Å²	36.6	34%	0.344	20%	0.202	S	C	.	.			trans	-65.8	-34.4	-169.7	-25.1	34.4	0	0	0	115.1	L349	P343-L349 HydrophobicContact CB-CD2 4.31Å
344	D	98.3	Very high	96.4	Very high	67 Å²	67	40.3 Å²	40.3	36%	0.358	22%	0.22	S	C	.	.	S	Bend	trans	-150.7	-178	-177.2	-150	-22.9	0	0	0	109.8	I342 I348 L349	I342-D344 WeakPolarHBondContact CG2-O 3.28Å; I342-D344 PolarHBondContact O-N 2.83Å; D344-I348 HydrophobicContact CB-CG2 4.46Å; D344-L349 HydrophobicContact CB-CD2 3.87Å; D344-L349 HydrophobicContact CB-CG 4.19Å; D344-L349 WeakPolarHBondContact O-CD1 3.28Å
345	D	98.1	Very high	95.9	Very high	34 Å²	34	40.3 Å²	40.3	18%	0.182	22%	0.22	C	C	.	.			trans	-54.6	132	174.1	-168.2	-75.1	0	0	0	111	Y284 I337 Q347 I348 L349	Y284-D345 VanDerWaalsContact CE1-OD2 3.26Å; Y284-D345 WeakPolarHBondContact CE1-OD2 3.36Å; Y284-D345 PolarHBondContact OH-OD2 3.16Å; I337-D345 HydrophobicContact CD1-CB 4.09Å; D345-Q347 PolarHBondContact O-N 3.49Å; D345-Q347 VanDerWaalsContact O-N 3.09Å; D345-Q347 VanDerWaalsContact OD1-CB 3.31Å; D345-Q347 WeakPolarHBondContact OD1-CB 3.47Å; D345-Q347 PolarHBondContact OD1-N 2.94Å; D345-I348 HydrophobicContact CB-CB 4.43Å; D345-I348 HydrophobicContact CB-CD1 3.99Å; D345-I348 HydrophobicContact CB-CG1 4.14Å; D345-I348 WeakPolarHBondContact O-CA 2.96Å; D345-I348 WeakPolarHBondContact O-CB 3.48Å; D345-I348 PolarHBondContact O-N 3.34Å; D345-L349 PolarHBondContact O-N 3.39Å
346	P	97.9	Very high	95.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-53.6	-32	-179.7	-28.8	36	0	0	0	114.5	L255 L258 A276 L277 V282 L349 M350	L255-P346 HydrophobicContact CD2-CG 3.92Å; L258-P346 HydrophobicContact CD1-CB 3.83Å; A276-P346 HydrophobicContact CB-CB 3.69Å; A276-P346 HydrophobicContact CB-CG 4.13Å; L277-P346 HydrophobicContact CD2-CB 4.15Å; V282-P346 HydrophobicContact CG2-CG 3.91Å; P346-L349 PolarHBondContact O-N 3.03Å; P346-M350 WeakPolarHBondContact O-CB 3.05Å; P346-M350 VanDerWaalsContact O-CG 3.29Å; P346-M350 WeakPolarHBondContact O-CG 3.3Å; P346-M350 PolarHBondContact O-N 3.33Å
347	Q	95.8	Very high	94.5	Very high	106 Å²	106	48.6 Å²	48.6	50%	0.495	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-46.8	174.6	-177.7	174.2	-18	0	0	111	L277 D345 L349 M350 E351	L277-Q347 HydrophobicContact CD2-CB 3.92Å; D345-Q347 PolarHBondContact O-N 3.49Å; D345-Q347 VanDerWaalsContact O-N 3.09Å; D345-Q347 VanDerWaalsContact OD1-CB 3.31Å; D345-Q347 WeakPolarHBondContact OD1-CB 3.47Å; D345-Q347 PolarHBondContact OD1-N 2.94Å; Q347-L349 PolarHBondContact O-N 3.26Å; Q347-M350 PolarHBondContact O-N 3.34Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.19Å; Q347-E351 PolarHBondContact NE2-OE1 3.14Å; Q347-E351 WeakPolarHBondContact O-CG 3.45Å; Q347-E351 PolarHBondContact O-N 2.96Å
348	I	96.8	Very high	94.4	Very high	63 Å²	63	46.2 Å²	46.2	32%	0.323	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-44.3	178.7	-64.8	174.4	0	0	0	110.4	D344 D345 M350 E351 Q352	D344-I348 HydrophobicContact CB-CG2 4.46Å; D345-I348 HydrophobicContact CB-CB 4.43Å; D345-I348 HydrophobicContact CB-CD1 3.99Å; D345-I348 HydrophobicContact CB-CG1 4.14Å; D345-I348 WeakPolarHBondContact O-CA 2.96Å; D345-I348 WeakPolarHBondContact O-CB 3.48Å; D345-I348 PolarHBondContact O-N 3.34Å; I348-M350 VanDerWaalsContact C-N 3.34Å; I348-M350 PolarHBondContact O-N 3.44Å; I348-E351 PolarHBondContact O-N 2.93Å; I348-Q352 HydrophobicContact CG2-CG 4.48Å; I348-Q352 WeakPolarHBondContact O-CB 3.31Å; I348-Q352 VanDerWaalsContact O-CG 3.26Å; I348-Q352 WeakPolarHBondContact O-CG 3.38Å; I348-Q352 PolarHBondContact O-N 3.47Å
349	L	96.1	Very high	94.5	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-38.7	179.2	-62.1	177.7	0	0	0	112.4	L258 I342 P343 D344 D345 P346 Q347 Q352 G353 E354	L258-L349 HydrophobicContact CB-CB 4.42Å; L258-L349 HydrophobicContact CB-CD1 4.06Å; L258-L349 HydrophobicContact CD2-CB 3.91Å; I342-L349 HydrophobicContact CG2-CD1 4.29Å; P343-L349 HydrophobicContact CB-CD2 4.31Å; D344-L349 HydrophobicContact CB-CD2 3.87Å; D344-L349 HydrophobicContact CB-CG 4.19Å; D344-L349 WeakPolarHBondContact O-CD1 3.28Å; D345-L349 PolarHBondContact O-N 3.39Å; P346-L349 PolarHBondContact O-N 3.03Å; Q347-L349 PolarHBondContact O-N 3.26Å; L349-Q352 PolarHBondContact O-N 3.42Å; L349-G353 PolarHBondContact O-N 3.05Å; L349-E354 HydrophobicContact CD2-CG 4.39Å; L349-E354 PolarHBondContact O-N 3.04Å
350	M	95.6	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-41.7	175.2	-72.3	-174.8	-169.8	0	0	111.9	S254 L258 A276 L277 P346 Q347 I348 Q352 G353 F355 T449 L452	S254-M350 WeakPolarHBondContact OG-CE 3.4Å; L258-M350 HydrophobicContact CD1-CE 3.87Å; L258-M350 HydrophobicContact CD1-CG 4.18Å; L258-M350 HydrophobicContact CD2-CG 3.68Å; A276-M350 HydrophobicContact CB-CE 4.05Å; L277-M350 HydrophobicContact CD1-CE 4.48Å; L277-M350 HydrophobicContact CD1-SD 3.9Å; L277-M350 HydrophobicContact CD2-CE 4.35Å; L277-M350 HydrophobicContact CD2-SD 4.16Å; L277-M350 HydrophobicContact CG-CE 4.14Å; L277-M350 HydrophobicContact CG-SD 4.1Å; P346-M350 WeakPolarHBondContact O-CB 3.05Å; P346-M350 VanDerWaalsContact O-CG 3.29Å; P346-M350 WeakPolarHBondContact O-CG 3.3Å; P346-M350 PolarHBondContact O-N 3.33Å; Q347-M350 PolarHBondContact O-N 3.34Å; I348-M350 VanDerWaalsContact C-N 3.34Å; I348-M350 PolarHBondContact O-N 3.44Å; M350-Q352 VanDerWaalsContact C-N 3.26Å; M350-Q352 PolarHBondContact O-N 3.09Å; M350-G353 PolarHBondContact O-N 3.4Å; M350-G353 VanDerWaalsContact O-N 3.1Å; M350-F355 HydrophobicContact CB-CD1 4.45Å; M350-F355 HydrophobicContact CB-CE1 3.77Å; M350-F355 HydrophobicContact CB-CZ 3.86Å; M350-F355 HydrophobicContact CG-CD1 4.3Å; M350-F355 HydrophobicContact CG-CD2 4.41Å; M350-F355 HydrophobicContact CG-CE1 3.88Å; M350-F355 HydrophobicContact CG-CE2 3.98Å; M350-F355 HydrophobicContact CG-CZ 3.69Å; M350-F355 WeakPolarHBondContact O-CE1 3.26Å; M350-F355 HydrophobicContact SD-CE2 4.15Å; M350-F355 HydrophobicContact SD-CZ 4.11Å; M350-T449 HydrophobicContact CE-CG2 3.97Å; M350-T449 HydrophobicContact SD-CG2 4.14Å; M350-L452 HydrophobicContact CB-CB 4.34Å; M350-L452 HydrophobicContact CB-CD1 3.7Å; M350-L452 HydrophobicContact SD-CD1 4.28Å
351	E	94.2	Very high	94.6	Very high	92 Å²	92	41.7 Å²	41.7	43%	0.43	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-34	176	-73.2	172.8	-170.7	0	0	112.2	Q347 I348 G353 L452 Y456	Q347-E351 WeakPolarHBondContact CG-OE1 3.19Å; Q347-E351 PolarHBondContact NE2-OE1 3.14Å; Q347-E351 WeakPolarHBondContact O-CG 3.45Å; Q347-E351 PolarHBondContact O-N 2.96Å; I348-E351 PolarHBondContact O-N 2.93Å; E351-G353 VanDerWaalsContact C-N 3.33Å; E351-L452 HydrophobicContact CG-CD2 4.04Å; E351-Y456 PolarHBondContact O-OH 3.35Å
352	Q	92.7	Very high	94.6	Very high	115 Å²	115	41.6 Å²	41.6	54%	0.537	21%	0.213	S	C	.	.	H	α-helix	trans	-75.5	-17.5	175.3	-70.5	172.2	6.6	0	0	113.8	I348 L349 M350	I348-Q352 HydrophobicContact CG2-CG 4.48Å; I348-Q352 WeakPolarHBondContact O-CB 3.31Å; I348-Q352 VanDerWaalsContact O-CG 3.26Å; I348-Q352 WeakPolarHBondContact O-CG 3.38Å; I348-Q352 PolarHBondContact O-N 3.47Å; L349-Q352 PolarHBondContact O-N 3.42Å; M350-Q352 VanDerWaalsContact C-N 3.26Å; M350-Q352 PolarHBondContact O-N 3.09Å
353	G	90.8	Very high	94.6	Very high	13 Å²	13	41.6 Å²	41.6	13%	0.134	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	25.6	175.6	0	0	0	0	0	115.4	L349 M350 E351 F355 L356	L349-G353 PolarHBondContact O-N 3.05Å; M350-G353 PolarHBondContact O-N 3.4Å; M350-G353 VanDerWaalsContact O-N 3.1Å; E351-G353 VanDerWaalsContact C-N 3.33Å; G353-F355 PolarHBondContact O-N 3.14Å; G353-L356 WeakPolarHBondContact O-CD1 3.2Å; G353-L356 WeakPolarHBondContact O-CG 3.26Å; G353-L356 PolarHBondContact O-N 2.93Å
354	E	86.4	Confident	94.7	Very high	93 Å²	93	39.1 Å²	39.1	44%	0.435	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.9	-178.7	-66.9	-60.6	140.1	0	0	113.6	L349	L349-E354 HydrophobicContact CD2-CG 4.39Å; L349-E354 PolarHBondContact O-N 3.04Å
355	F	87.3	Confident	94.7	Very high	1 Å²	1	36 Å²	36	0%	0.004	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	11.6	-177.5	71.8	-37.5	0	0	0	116.1	C257 L258 M350 G353 N357 Y358 I360 T449 L452 H453	C257-F355 HydrophobicContact CB-CB 4Å; C257-F355 WeakPolarHBondContact O-CA 3.48Å; C257-F355 WeakPolarHBondContact O-CB 3.48Å; L258-F355 HydrophobicContact CD2-CB 3.77Å; L258-F355 HydrophobicContact CD2-CD1 4.18Å; L258-F355 HydrophobicContact CD2-CD2 4.42Å; L258-F355 HydrophobicContact CD2-CG 3.88Å; M350-F355 HydrophobicContact CB-CD1 4.45Å; M350-F355 HydrophobicContact CB-CE1 3.77Å; M350-F355 HydrophobicContact CB-CZ 3.86Å; M350-F355 HydrophobicContact CG-CD1 4.3Å; M350-F355 HydrophobicContact CG-CD2 4.41Å; M350-F355 HydrophobicContact CG-CE1 3.88Å; M350-F355 HydrophobicContact CG-CE2 3.98Å; M350-F355 HydrophobicContact CG-CZ 3.69Å; M350-F355 WeakPolarHBondContact O-CE1 3.26Å; M350-F355 HydrophobicContact SD-CE2 4.15Å; M350-F355 HydrophobicContact SD-CZ 4.11Å; G353-F355 PolarHBondContact O-N 3.14Å; F355-N357 VanDerWaalsContact C-N 3.27Å; F355-N357 PolarHBondContact O-N 2.96Å; F355-Y358 WeakPolarHBondContact O-CD2 3.32Å; F355-I360 HydrophobicContact CD2-CD1 4.05Å; F355-I360 HydrophobicContact CE2-CD1 4.46Å; F355-T449 HydrophobicContact CE2-CG2 4.12Å; F355-L452 HydrophobicContact CE1-CB 4.43Å; F355-L452 HydrophobicContact CZ-CB 3.94Å; F355-H453 AromaticContact CD2-CD2 3.84Å; F355-H453 HydrophobicContact CE2-CB 3.71Å; F355-H453 AromaticContact CE2-CD2 3.87Å; F355-H453 HydrophobicContact CZ-CB 3.76Å; F355-H453 PolarHBondContact O-NE2 2.66Å
356	L	83.4	Confident	94.7	Very high	38 Å²	38	35.8 Å²	35.8	20%	0.199	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.6	-171.3	-64	176.3	0	0	0	115.1	G353 Y358 Y456 S458	G353-L356 WeakPolarHBondContact O-CD1 3.2Å; G353-L356 WeakPolarHBondContact O-CG 3.26Å; G353-L356 PolarHBondContact O-N 2.93Å; L356-Y358 VanDerWaalsContact C-N 3.26Å; L356-Y358 PolarHBondContact O-N 3.17Å; L356-Y456 VanDerWaalsContact CD1-CB 3.47Å; L356-Y456 HydrophobicContact CD1-CD1 4.17Å; L356-Y456 HydrophobicContact CD1-CD2 3.64Å; L356-Y456 HydrophobicContact CD1-CE2 4.35Å; L356-Y456 HydrophobicContact CD1-CG 3.5Å; L356-Y456 VanDerWaalsContact CD1-CG 3.5Å; L356-Y456 HydrophobicContact CD2-CD2 3.67Å; L356-Y456 HydrophobicContact CD2-CG 4.08Å; L356-Y456 HydrophobicContact CG-CD2 4.24Å; L356-Y456 HydrophobicContact CG-CG 4.42Å; L356-S458 PolarHBondContact O-OG 3.21Å
357	N	86.8	Confident	94.6	Very high	140 Å²	140	36 Å²	36	75%	0.749	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.6	-175.6	-69.6	-24.9	0	0	0	114.3	F355	F355-N357 VanDerWaalsContact C-N 3.27Å; F355-N357 PolarHBondContact O-N 2.96Å
358	Y	96.4	Very high	94.6	Very high	12 Å²	12	31.1 Å²	31.1	5%	0.047	16%	0.158	C	C	.	.	S	Bend	trans	-108.4	149.1	-172.6	-51.3	-71.9	0	0	0	111.6	C257 F266 Q267 F355 L356 H453	C257-Y358 HydrophobicContact CB-CD2 4Å; C257-Y358 HydrophobicContact CB-CE2 4.05Å; C257-Y358 WeakPolarHBondContact O-CE2 3.39Å; F266-Y358 AromaticContact CD2-CD1 3.81Å; F266-Y358 HydrophobicContact CD2-CD1 3.81Å; F266-Y358 AromaticContact CD2-CE1 3.79Å; F266-Y358 HydrophobicContact CD2-CE1 3.79Å; F266-Y358 AromaticContact CE2-CD1 3.53Å; F266-Y358 HydrophobicContact CE2-CD1 3.53Å; F266-Y358 AromaticContact CE2-CE1 3.41Å; F266-Y358 HydrophobicContact CE2-CE1 3.41Å; F266-Y358 VanDerWaalsContact CE2-CE1 3.41Å; F266-Y358 HydrophobicContact CE2-CE2 4.46Å; F266-Y358 HydrophobicContact CE2-CG 4.12Å; F266-Y358 AromaticContact CE2-CZ 3.92Å; F266-Y358 HydrophobicContact CZ-CD1 4.46Å; F266-Y358 AromaticContact CZ-CE1 3.95Å; F266-Y358 HydrophobicContact CZ-CE1 3.95Å; Q267-Y358 WeakPolarHBondContact O-CA 3.42Å; F355-Y358 WeakPolarHBondContact O-CD2 3.32Å; L356-Y358 VanDerWaalsContact C-N 3.26Å; L356-Y358 PolarHBondContact O-N 3.17Å; Y358-H453 PolarHBondContact O-CE1 3.38Å; Y358-H453 PolarHBondContact O-NE2 3.23Å
359	D	98.3	Very high	94.4	Very high	38 Å²	38	28.1 Å²	28.1	20%	0.203	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.7	159.7	-59.4	-39.1	0	0	0	107.9	Q267 K268 A269 P459 F523 G527	Q267-D359 PolarHBondContact O-N 3.26Å; K268-D359 VanDerWaalsContact CA-O 3.3Å; K268-D359 WeakPolarHBondContact CA-O 3.32Å; K268-D359 HydrophobicContact CB-CB 4.35Å; K268-D359 HydrophobicContact CD-CB 4.32Å; K268-D359 HydrophobicContact CG-CB 4.03Å; A269-D359 PolarHBondContact N-O 2.65Å; D359-P459 HydrophobicContact CB-CB 4.46Å; D359-P459 WeakPolarHBondContact OD1-CB 3.13Å; D359-P459 WeakPolarHBondContact OD1-CD 3.48Å; D359-P459 WeakPolarHBondContact OD1-CG 3.48Å; D359-F523 HydrophobicContact CB-CE2 3.93Å; D359-F523 HydrophobicContact CB-CZ 3.76Å; D359-F523 WeakPolarHBondContact O-CZ 3.31Å; D359-G527 WeakPolarHBondContact OD2-CA 3.44Å
360	I	98.7	Very high	94.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.3	-178.9	-60	-172.1	0	0	0	111.8	A269 I271 F355 L362 H453 P459 T460 Y461	A269-I360 HydrophobicContact CB-CG1 4.33Å; A269-I360 WeakPolarHBondContact O-CA 3.48Å; I271-I360 HydrophobicContact CD1-CD1 4.46Å; I271-I360 HydrophobicContact CD1-CG2 3.93Å; I271-I360 HydrophobicContact CG1-CG2 4.46Å; F355-I360 HydrophobicContact CD2-CD1 4.05Å; F355-I360 HydrophobicContact CE2-CD1 4.46Å; I360-L362 HydrophobicContact CG2-CB 4.29Å; I360-L362 HydrophobicContact CG2-CD2 4.02Å; I360-H453 WeakPolarHBondContact CD1-CD2 3.4Å; I360-H453 WeakPolarHBondContact CD1-NE2 3.29Å; I360-H453 WeakPolarHBondContact CG1-NE2 3.49Å; I360-P459 PolarHBondContact N-O 2.84Å; I360-T460 CarbonylContact O-C 3.34Å; I360-T460 VanDerWaalsContact O-CA 3.28Å; I360-T460 WeakPolarHBondContact O-CA 3.29Å; I360-Y461 PolarHBondContact O-N 3.43Å
361	M	98.9	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.3	161.1	178.9	-170.6	-66.8	0	0	108.4	A269 I270 I271 Y461 Y463 W520 F523 P529 W552	A269-M361 PolarHBondContact O-N 2.73Å; I270-M361 CarbonylContact C-O 3.34Å; I270-M361 VanDerWaalsContact CA-O 3.24Å; I270-M361 WeakPolarHBondContact CA-O 3.37Å; I270-M361 HydrophobicContact CB-CB 4.5Å; I270-M361 HydrophobicContact CD1-SD 4.44Å; I270-M361 HydrophobicContact CG1-CB 4.22Å; I270-M361 HydrophobicContact CG2-CB 4.14Å; I270-M361 HydrophobicContact CG2-CG 4.14Å; I270-M361 HydrophobicContact CG2-SD 3.91Å; I271-M361 PolarHBondContact N-O 3.29Å; M361-Y461 CarbonylContact C-O 3.57Å; M361-Y461 WeakPolarHBondContact CA-O 3.48Å; M361-Y463 HydrophobicContact CG-CD1 4.41Å; M361-W520 HydrophobicContact SD-CD2 4.08Å; M361-W520 HydrophobicContact SD-CE3 4.08Å; M361-W520 HydrophobicContact SD-CH2 4.34Å; M361-W520 HydrophobicContact SD-CZ2 4.33Å; M361-W520 HydrophobicContact SD-CZ3 4.21Å; M361-F523 HydrophobicContact CB-CD1 4.23Å; M361-F523 HydrophobicContact CB-CD2 4.45Å; M361-F523 HydrophobicContact CB-CE1 3.97Å; M361-F523 HydrophobicContact CB-CE2 4.21Å; M361-F523 HydrophobicContact CB-CG 4.44Å; M361-F523 HydrophobicContact CB-CZ 3.95Å; M361-F523 HydrophobicContact CE-CB 3.55Å; M361-F523 HydrophobicContact CE-CD1 4.24Å; M361-F523 HydrophobicContact CE-CD2 4.01Å; M361-F523 HydrophobicContact CE-CG 3.68Å; M361-P529 HydrophobicContact CE-CB 3.72Å; M361-P529 HydrophobicContact CE-CG 4.29Å; M361-W552 HydrophobicContact CE-CE3 4.39Å; M361-W552 HydrophobicContact CE-CH2 3.74Å; M361-W552 HydrophobicContact CE-CZ3 3.64Å; M361-W552 HydrophobicContact CG-CH2 3.66Å; M361-W552 HydrophobicContact CG-CZ2 4.05Å; M361-W552 HydrophobicContact SD-CH2 3.48Å; M361-W552 WeakPolarHBondContact SD-CH2 3.23Å; M361-W552 HydrophobicContact SD-CZ2 4.43Å; M361-W552 HydrophobicContact SD-CZ3 3.86Å
362	L	98.8	Very high	93.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	159	177.6	73.9	169.9	0	0	0	112.1	I271 I360 A446 T449 A450 T460 Y461 F462 Y463	I271-L362 HydrophobicContact CB-CB 3.86Å; I271-L362 HydrophobicContact CG2-CB 4.41Å; I271-L362 VanDerWaalsContact O-CA 3.25Å; I271-L362 WeakPolarHBondContact O-CA 3.44Å; I360-L362 HydrophobicContact CG2-CB 4.29Å; I360-L362 HydrophobicContact CG2-CD2 4.02Å; L362-A446 VanDerWaalsContact CD1-O 3.32Å; L362-A446 WeakPolarHBondContact CD1-O 3.41Å; L362-T449 HydrophobicContact CD1-CG2 4.02Å; L362-A450 HydrophobicContact CD1-CB 4.04Å; L362-A450 HydrophobicContact CD2-CB 3.93Å; L362-A450 HydrophobicContact CG-CB 4.36Å; L362-T460 HydrophobicContact CD2-CG2 3.6Å; L362-Y461 PolarHBondContact N-O 3.31Å; L362-F462 HydrophobicContact CD1-CE2 4.46Å; L362-F462 HydrophobicContact CD2-CD2 4.04Å; L362-F462 HydrophobicContact CG-CD2 3.86Å; L362-F462 HydrophobicContact CG-CE2 4.11Å; L362-F462 CarbonylContact O-C 3.55Å; L362-F462 VanDerWaalsContact O-CA 3.24Å; L362-F462 WeakPolarHBondContact O-CA 3.28Å; L362-Y463 VanDerWaalsContact O-CD1 3.29Å; L362-Y463 WeakPolarHBondContact O-CD1 3.46Å; L362-Y463 PolarHBondContact O-N 3.07Å
363	G	98.7	Very high	93.7	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	179.1	178.6	0	0	0	0	0	113.5	I271 S273 Y463	I271-G363 PolarHBondContact O-N 3.09Å; S273-G363 PolarHBondContact N-O 3.28Å; G363-Y463 VanDerWaalsContact CA-CE1 3.47Å; G363-Y463 WeakPolarHBondContact CA-O 3.33Å
364	V	98.8	Very high	93.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159.9	-171.7	-63.5	0	0	0	0	110.7	W442 V443 A446 F462 Y463 A464 F465 Y575	V364-W442 HydrophobicContact CG1-CB 4.08Å; V364-V443 HydrophobicContact CG2-CG2 4.16Å; V364-A446 HydrophobicContact CG1-CB 3.77Å; V364-F462 HydrophobicContact CG2-CZ 4.47Å; V364-Y463 PolarHBondContact N-O 2.87Å; V364-A464 CarbonylContact O-C 3.56Å; V364-A464 VanDerWaalsContact O-CA 3.29Å; V364-A464 WeakPolarHBondContact O-CA 3.34Å; V364-F465 PolarHBondContact O-N 3.31Å; V364-Y575 HydrophobicContact CG2-CD1 4.29Å; V364-Y575 HydrophobicContact CG2-CE1 3.54Å
365	N	98.6	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	157.3	174.6	-59.3	-16.5	0	0	0	110.4	G367 E368 F465 A481 E485	N365-G367 VanDerWaalsContact C-N 3.32Å; N365-G367 PolarHBondContact O-N 3.49Å; N365-E368 HydrophobicContact CB-CG 4.23Å; N365-E368 WeakPolarHBondContact CB-OE1 3.48Å; N365-E368 PolarHBondContact N-OE1 3.03Å; N365-F465 VanDerWaalsContact OD1-CB 3.23Å; N365-F465 WeakPolarHBondContact OD1-CB 3.22Å; N365-A481 PolarHBondContact ND2-O 3.08Å; N365-E485 PolarHBondContact ND2-OE2 3.07Å
366	Q	97.4	Very high	93.9	Very high	30 Å²	30	27.7 Å²	27.7	14%	0.14	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-36.6	-175.3	-176.7	-174.7	-3.8	0	0	114	F465 Y466 D479	Q366-F465 PolarHBondContact N-O 3.23Å; Q366-Y466 HydrophobicContact CB-CD1 4.04Å; Q366-Y466 HydrophobicContact CB-CD2 4.4Å; Q366-Y466 HydrophobicContact CB-CE1 4.17Å; Q366-Y466 HydrophobicContact CB-CE2 4.5Å; Q366-Y466 HydrophobicContact CB-CG 4.2Å; Q366-Y466 VanDerWaalsContact CD-CE1 3.48Å; Q366-Y466 HydrophobicContact CG-CD1 3.75Å; Q366-Y466 HydrophobicContact CG-CE1 3.57Å; Q366-Y466 HydrophobicContact CG-CG 4.41Å; Q366-D479 HydrophobicContact CB-CB 4.24Å; Q366-D479 VanDerWaalsContact CD-CG 3.47Å; Q366-D479 HydrophobicContact CG-CB 3.96Å; Q366-D479 PolarHBondContact NE2-OD1 2.8Å; Q366-D479 PolarHBondContact NE2-OD2 3.49Å
367	G	96.2	Very high	94.3	Very high	4 Å²	4	27.8 Å²	27.8	4%	0.041	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.5	49.2	-171.5	0	0	0	0	0	112.7	N365 G369 F370 S480 A481	N365-G367 VanDerWaalsContact C-N 3.32Å; N365-G367 PolarHBondContact O-N 3.49Å; G367-G369 PolarHBondContact O-N 3.1Å; G367-F370 WeakPolarHBondContact O-CB 3.4Å; G367-F370 PolarHBondContact O-N 2.94Å; G367-F370 VanDerWaalsContact O-N 3.17Å; G367-S480 CarbonylContact C-O 3.54Å; G367-S480 WeakPolarHBondContact CA-O 3.49Å; G367-S480 PolarHBondContact N-O 2.87Å; G367-A481 WeakPolarHBondContact O-CA 3.38Å
368	E	96.8	Very high	94.6	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.019	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-45.5	-48.2	178.1	-59.9	-79.5	-171.1	0	0	112.2	S273 N365 F370 T438 W442 H482	S273-E368 WeakPolarHBondContact CB-OE1 3.49Å; S273-E368 PolarHBondContact OG-OE1 2.89Å; N365-E368 HydrophobicContact CB-CG 4.23Å; N365-E368 WeakPolarHBondContact CB-OE1 3.48Å; N365-E368 PolarHBondContact N-OE1 3.03Å; E368-F370 PolarHBondContact O-N 3.09Å; E368-T438 HydrophobicContact CB-CG2 3.89Å; E368-T438 HydrophobicContact CG-CG2 3.9Å; E368-T438 PolarHBondContact N-OG1 3.37Å; E368-W442 HydrophobicContact CB-CB 4.43Å; E368-W442 HydrophobicContact CB-CD2 3.43Å; E368-W442 VanDerWaalsContact CB-CD2 3.43Å; E368-W442 HydrophobicContact CB-CE3 3.38Å; E368-W442 HydrophobicContact CB-CG 3.93Å; E368-W442 HydrophobicContact CB-CH2 4.06Å; E368-W442 HydrophobicContact CB-CZ2 4.13Å; E368-W442 HydrophobicContact CB-CZ3 3.72Å; E368-W442 HydrophobicContact CG-CB 3.93Å; E368-W442 HydrophobicContact CG-CD2 3.83Å; E368-W442 HydrophobicContact CG-CE3 4.17Å; E368-W442 HydrophobicContact CG-CG 3.74Å; E368-H482 WeakPolarHBondContact OE2-CA 3.45Å; E368-H482 WeakPolarHBondContact OE2-CB 3.37Å; E368-H482 IonicContact OE2-CE1 3.05Å; E368-H482 IonicContact OE2-CG 2.72Å; E368-H482 IonicContact OE2-ND1 2.76Å; E368-H482 PolarHBondContact OE2-ND1 3.05Å
369	G	92.6	Very high	94.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-75.6	27.8	-177	0	0	0	0	0	115.1	G367 K371 F372 T438	G367-G369 PolarHBondContact O-N 3.1Å; G369-K371 VanDerWaalsContact C-N 3.26Å; G369-K371 PolarHBondContact O-N 3.23Å; G369-F372 VanDerWaalsContact O-CB 3.28Å; G369-F372 WeakPolarHBondContact O-CB 3.5Å; G369-F372 PolarHBondContact O-N 3.18Å; G369-T438 PolarHBondContact N-OG1 2.83Å
370	F	91.2	Very high	94.1	Very high	18 Å²	18	35.5 Å²	35.5	8%	0.079	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-54.5	-41.7	177.8	163.5	-102.7	0	0	0	112.3	V119 G367 E368 F372 V373 P475 W477 A478 A481	V119-F370 HydrophobicContact CG2-CD1 4.03Å; G367-F370 WeakPolarHBondContact O-CB 3.4Å; G367-F370 PolarHBondContact O-N 2.94Å; G367-F370 VanDerWaalsContact O-N 3.17Å; E368-F370 PolarHBondContact O-N 3.09Å; F370-F372 VanDerWaalsContact C-N 3.27Å; F370-F372 PolarHBondContact O-N 3.31Å; F370-V373 WeakPolarHBondContact O-CG2 3.48Å; F370-P475 HydrophobicContact CE2-CG 3.96Å; F370-P475 VanDerWaalsContact CZ-CD 3.45Å; F370-P475 HydrophobicContact CZ-CG 3.9Å; F370-W477 AromaticContact CD2-CH2 3.51Å; F370-W477 HydrophobicContact CD2-CH2 3.51Å; F370-W477 HydrophobicContact CD2-CZ2 4.42Å; F370-W477 AromaticContact CD2-CZ3 3.7Å; F370-W477 HydrophobicContact CD2-CZ3 3.7Å; F370-W477 AromaticContact CE2-CH2 3.32Å; F370-W477 HydrophobicContact CE2-CH2 3.32Å; F370-W477 AromaticContact CE2-CZ2 3.79Å; F370-W477 HydrophobicContact CE2-CZ2 3.79Å; F370-W477 AromaticContact CE2-CZ3 3.83Å; F370-W477 HydrophobicContact CE2-CZ3 3.83Å; F370-A478 HydrophobicContact CD2-CB 3.62Å; F370-A478 HydrophobicContact CE2-CB 3.61Å; F370-A481 HydrophobicContact CB-CB 3.85Å; F370-A481 HydrophobicContact CD1-CB 4.46Å; F370-A481 HydrophobicContact CG-CB 4.28Å
371	K	90.4	Very high	93.8	Very high	46 Å²	46	38.2 Å²	38.2	20%	0.2	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-69.9	-20.1	-178.9	-76.7	-70.4	-177.7	176.2	0	114.4	G369 V373 D374	G369-K371 VanDerWaalsContact C-N 3.26Å; G369-K371 PolarHBondContact O-N 3.23Å; K371-V373 PolarHBondContact O-N 2.91Å; K371-D374 IonicContact NZ-OD2 3.66Å; K371-D374 PolarHBondContact NZ-OD2 2.84Å; K371-D374 WeakPolarHBondContact O-CB 3.47Å; K371-D374 PolarHBondContact O-N 3.31Å
372	F	91.1	Very high	93.6	Very high	21 Å²	21	38.2 Å²	38.2	9%	0.092	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-63.7	-25.8	179.5	179.5	-114.8	0	0	0	113.9	Y329 G369 F370 A391 F395 L433 F437	Y329-F372 WeakPolarHBondContact OH-CE2 3.4Å; G369-F372 VanDerWaalsContact O-CB 3.28Å; G369-F372 WeakPolarHBondContact O-CB 3.5Å; G369-F372 PolarHBondContact O-N 3.18Å; F370-F372 VanDerWaalsContact C-N 3.27Å; F370-F372 PolarHBondContact O-N 3.31Å; F372-A391 HydrophobicContact CE1-CB 4.43Å; F372-A391 HydrophobicContact CZ-CB 4.2Å; F372-F395 HydrophobicContact CE2-CD2 4.44Å; F372-F395 HydrophobicContact CZ-CB 4.16Å; F372-F395 HydrophobicContact CZ-CD2 4.41Å; F372-L433 HydrophobicContact CD1-CB 4.44Å; F372-L433 HydrophobicContact CE1-CB 4.34Å; F372-L433 HydrophobicContact CE1-CD2 4.31Å; F372-F437 HydrophobicContact CB-CB 3.81Å; F372-F437 HydrophobicContact CB-CD1 3.58Å; F372-F437 HydrophobicContact CB-CD2 4.29Å; F372-F437 HydrophobicContact CB-CE1 4.19Å; F372-F437 HydrophobicContact CB-CG 3.64Å; F372-F437 HydrophobicContact CD1-CB 3.57Å; F372-F437 HydrophobicContact CD1-CD2 4.3Å; F372-F437 HydrophobicContact CD1-CG 4.02Å; F372-F437 HydrophobicContact CD2-CB 4.25Å; F372-F437 HydrophobicContact CD2-CD1 4.27Å; F372-F437 AromaticContact CD2-CD2 3.52Å; F372-F437 HydrophobicContact CD2-CD2 3.52Å; F372-F437 AromaticContact CD2-CE2 3.83Å; F372-F437 HydrophobicContact CD2-CE2 3.83Å; F372-F437 AromaticContact CD2-CG 3.76Å; F372-F437 HydrophobicContact CD2-CG 3.76Å; F372-F437 HydrophobicContact CD2-CZ 4.32Å; F372-F437 HydrophobicContact CE1-CB 4.18Å; F372-F437 AromaticContact CE2-CD2 3.84Å; F372-F437 HydrophobicContact CE2-CD2 3.84Å; F372-F437 HydrophobicContact CE2-CE2 4.21Å; F372-F437 HydrophobicContact CE2-CG 4.44Å; F372-F437 HydrophobicContact CG-CB 3.61Å; F372-F437 AromaticContact CG-CD1 3.99Å; F372-F437 HydrophobicContact CG-CD1 3.99Å; F372-F437 AromaticContact CG-CD2 3.78Å; F372-F437 HydrophobicContact CG-CD2 3.78Å; F372-F437 HydrophobicContact CG-CE2 4.44Å; F372-F437 AromaticContact CG-CG 3.52Å; F372-F437 HydrophobicContact CG-CG 3.52Å; F372-F437 HydrophobicContact CZ-CD2 4.35Å
373	V	91.2	Very high	93.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-97.8	5.7	177.1	-59	0	0	0	0	112.8	F370 K371 G375 I376 V377 R430 L433 V434 W477	F370-V373 WeakPolarHBondContact O-CG2 3.48Å; K371-V373 PolarHBondContact O-N 2.91Å; V373-G375 PolarHBondContact O-N 3.36Å; V373-I376 HydrophobicContact CB-CD1 4.32Å; V373-I376 HydrophobicContact CB-CG1 4.15Å; V373-I376 HydrophobicContact CG1-CD1 4.43Å; V373-I376 WeakPolarHBondContact O-CG1 3.32Å; V373-I376 PolarHBondContact O-N 3.31Å; V373-V377 HydrophobicContact CB-CG2 3.97Å; V373-V377 HydrophobicContact CG2-CG2 3.84Å; V373-V377 WeakPolarHBondContact O-CG2 3.22Å; V373-V377 PolarHBondContact O-N 2.86Å; V373-R430 HydrophobicContact CG2-CG 4.21Å; V373-L433 HydrophobicContact CG1-CB 3.61Å; V373-L433 HydrophobicContact CG1-CD1 4.28Å; V373-V434 HydrophobicContact CB-CG2 4.39Å; V373-V434 HydrophobicContact CG1-CG2 3.77Å; V373-V434 HydrophobicContact CG2-CG2 3.64Å; V373-W477 HydrophobicContact CG2-CH2 3.86Å
374	D	87.3	Confident	93.4	Very high	103 Å²	103	40 Å²	40	55%	0.551	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	137.6	178.8	-152.3	-7.4	0	0	0	110.1	K371 I376	K371-D374 IonicContact NZ-OD2 3.66Å; K371-D374 PolarHBondContact NZ-OD2 2.84Å; K371-D374 WeakPolarHBondContact O-CB 3.47Å; K371-D374 PolarHBondContact O-N 3.31Å; D374-I376 VanDerWaalsContact C-N 3.27Å; D374-I376 PolarHBondContact O-N 2.63Å
375	G	87.6	Confident	93.3	Very high	76 Å²	76	42.2 Å²	42.2	78%	0.784	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-8.8	-176.6	0	0	0	0	0	117.4	V373	V373-G375 PolarHBondContact O-N 3.36Å
376	I	92.2	Very high	93.2	Very high	45 Å²	45	48.5 Å²	48.5	23%	0.231	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-5.3	175.3	63.9	165.2	0	0	0	114.2	V373 D374 V383 D387 A391 L433	V373-I376 HydrophobicContact CB-CD1 4.32Å; V373-I376 HydrophobicContact CB-CG1 4.15Å; V373-I376 HydrophobicContact CG1-CD1 4.43Å; V373-I376 WeakPolarHBondContact O-CG1 3.32Å; V373-I376 PolarHBondContact O-N 3.31Å; D374-I376 VanDerWaalsContact C-N 3.27Å; D374-I376 PolarHBondContact O-N 2.63Å; I376-V383 HydrophobicContact CD1-CG1 4.29Å; I376-V383 HydrophobicContact CD1-CG2 4.43Å; I376-V383 HydrophobicContact CG1-CG2 4.41Å; I376-D387 HydrophobicContact CB-CB 4.32Å; I376-A391 HydrophobicContact CD1-CB 4.31Å; I376-L433 HydrophobicContact CD1-CD1 3.96Å
377	V	93.1	Very high	93.2	Very high	39 Å²	39	50 Å²	50	24%	0.236	30%	0.298	C	S	.	.			trans	-80.8	127.6	173.5	178.1	0	0	0	0	109.5	V373 G382 V383 R430 W477	V373-V377 HydrophobicContact CB-CG2 3.97Å; V373-V377 HydrophobicContact CG2-CG2 3.84Å; V373-V377 WeakPolarHBondContact O-CG2 3.22Å; V373-V377 PolarHBondContact O-N 2.86Å; V377-G382 WeakPolarHBondContact CA-O 3.5Å; V377-V383 HydrophobicContact CG2-CG2 4Å; V377-R430 HydrophobicContact CG2-CG 3.79Å; V377-W477 HydrophobicContact CG1-CZ2 4.4Å; V377-W477 HydrophobicContact CG2-CZ2 4.22Å
378	D	92.1	Very high	93.3	Very high	72 Å²	72	50.1 Å²	50.1	39%	0.385	30%	0.297	S	S	.	.			trans	-79.6	176.9	178.3	66.3	37.3	0	0	0	112.8	E380 D381 G382	D378-E380 PolarHBondContact O-N 2.94Å; D378-E380 VanDerWaalsContact OD1-C 3.26Å; D378-E380 VanDerWaalsContact OD1-CA 3.31Å; D378-E380 WeakPolarHBondContact OD1-CA 3.19Å; D378-E380 PolarHBondContact OD1-N 3.33Å; D378-D381 PolarHBondContact O-N 2.74Å; D378-D381 VanDerWaalsContact O-N 3.1Å; D378-D381 PolarHBondContact OD1-N 2.88Å; D378-G382 PolarHBondContact N-O 3.15Å; D378-G382 PolarHBondContact OD1-N 2.54Å
379	S	91.6	Very high	93.2	Very high	123 Å²	123	53 Å²	53	86%	0.86	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.2	-179.8	57.1	0	0	0	0	114.6	D381	S379-D381 VanDerWaalsContact C-N 3.32Å
380	E	92	Very high	93.3	Very high	157 Å²	157	59.2 Å²	59.2	73%	0.734	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	20.6	175.2	-60.5	-170.2	169.1	0	0	111.1	D378 G382	D378-E380 PolarHBondContact O-N 2.94Å; D378-E380 VanDerWaalsContact OD1-C 3.26Å; D378-E380 VanDerWaalsContact OD1-CA 3.31Å; D378-E380 WeakPolarHBondContact OD1-CA 3.19Å; D378-E380 PolarHBondContact OD1-N 3.33Å; E380-G382 PolarHBondContact O-N 3.12Å
381	D	92.8	Very high	93.5	Very high	59 Å²	59	58.8 Å²	58.8	32%	0.316	34%	0.339	S	S	.	.	S	Bend	trans	62.5	19.1	178.2	-66.5	-35.5	0	0	0	113.8	D378 S379 R430 W477	D378-D381 PolarHBondContact O-N 2.74Å; D378-D381 VanDerWaalsContact O-N 3.1Å; D378-D381 PolarHBondContact OD1-N 2.88Å; S379-D381 VanDerWaalsContact C-N 3.32Å; D381-R430 WeakPolarHBondContact O-CD 3.37Å; D381-R430 PolarHBondContact O-NH1 2.87Å; D381-W477 PolarHBondContact OD1-NE1 3.41Å
382	G	94.6	Very high	93.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.33	C	S	.	.			trans	-102.5	165.5	-176.1	0	0	0	0	0	114.4	V377 D378 E380	V377-G382 WeakPolarHBondContact CA-O 3.5Å; D378-G382 PolarHBondContact N-O 3.15Å; D378-G382 PolarHBondContact OD1-N 2.54Å; E380-G382 PolarHBondContact O-N 3.12Å
383	V	97.2	Very high	93.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.336	C	S	.	.			trans	-122.4	136.3	166.5	172.8	0	0	0	0	109.7	I376 V377 D387 F388 P426 R429 R430 L433	I376-V383 HydrophobicContact CD1-CG1 4.29Å; I376-V383 HydrophobicContact CD1-CG2 4.43Å; I376-V383 HydrophobicContact CG1-CG2 4.41Å; V377-V383 HydrophobicContact CG2-CG2 4Å; V383-D387 HydrophobicContact CG1-CB 3.92Å; V383-F388 HydrophobicContact CG1-CB 4.42Å; V383-P426 PolarHBondContact N-O 3.1Å; V383-P426 WeakPolarHBondContact O-CB 3.24Å; V383-R429 HydrophobicContact CB-CB 4.5Å; V383-R429 PolarHBondContact O-NE 3.34Å; V383-R429 PolarHBondContact O-NH2 3.25Å; V383-R430 HydrophobicContact CB-CB 4.19Å; V383-R430 HydrophobicContact CG2-CB 3.64Å; V383-R430 HydrophobicContact CG2-CG 3.79Å; V383-L433 HydrophobicContact CB-CD1 4.39Å; V383-L433 HydrophobicContact CG1-CD1 3.7Å; V383-L433 HydrophobicContact CG2-CD1 4.39Å
384	S	97.4	Very high	93.8	Very high	41 Å²	41	58.6 Å²	58.6	29%	0.287	34%	0.344	S	S	.	.			trans	-72.3	157.5	177.9	89.4	0	0	0	0	111.8	N386 D387 F388	S384-N386 PolarHBondContact O-N 3.04Å; S384-N386 PolarHBondContact OG-N 3.34Å; S384-D387 WeakPolarHBondContact CB-OD2 3.45Å; S384-D387 PolarHBondContact O-N 3.06Å; S384-D387 PolarHBondContact OG-N 2.9Å; S384-D387 VanDerWaalsContact OG-N 3.1Å; S384-D387 PolarHBondContact OG-OD2 3.13Å; S384-F388 WeakPolarHBondContact O-CB 3.29Å; S384-F388 PolarHBondContact O-N 2.92Å
385	A	96.3	Very high	94.1	Very high	47 Å²	47	53.7 Å²	53.7	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-32.7	176.5	0	0	0	0	0	112.3	D389	A385-D389 PolarHBondContact O-N 3.05Å
386	N	96.8	Very high	94.3	Very high	132 Å²	132	50.1 Å²	50.1	71%	0.706	28%	0.28	S	S	*	.	H	α-helix	trans	-69.9	-42.9	178.4	-67.5	-16.9	0	0	0	111.4	S384 F388 D389 F390	S384-N386 PolarHBondContact O-N 3.04Å; S384-N386 PolarHBondContact OG-N 3.34Å; N386-F388 VanDerWaalsContact C-N 3.32Å; N386-D389 PolarHBondContact O-N 3.32Å; N386-F390 WeakPolarHBondContact O-CB 2.86Å; N386-F390 PolarHBondContact O-N 3.29Å
387	D	97.1	Very high	94.2	Very high	62 Å²	62	50.6 Å²	50.6	33%	0.332	28%	0.284	S	S	.	.	H	α-helix	trans	-68.5	-35.3	178.1	-60	-44.5	0	0	0	111	I376 V383 S384 F390 A391	I376-D387 HydrophobicContact CB-CB 4.32Å; V383-D387 HydrophobicContact CG1-CB 3.92Å; S384-D387 WeakPolarHBondContact CB-OD2 3.45Å; S384-D387 PolarHBondContact O-N 3.06Å; S384-D387 PolarHBondContact OG-N 2.9Å; S384-D387 VanDerWaalsContact OG-N 3.1Å; S384-D387 PolarHBondContact OG-OD2 3.13Å; D387-F390 PolarHBondContact O-N 2.77Å; D387-A391 WeakPolarHBondContact O-CB 3.46Å; D387-A391 PolarHBondContact O-N 2.81Å
388	F	97.2	Very high	94	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-53.2	170.7	-179.2	-84.4	0	0	0	111.7	V383 S384 N386 F390 A391 V392 K414 R429 L433	V383-F388 HydrophobicContact CG1-CB 4.42Å; S384-F388 WeakPolarHBondContact O-CB 3.29Å; S384-F388 PolarHBondContact O-N 2.92Å; N386-F388 VanDerWaalsContact C-N 3.32Å; F388-F390 VanDerWaalsContact C-N 3.3Å; F388-F390 PolarHBondContact O-N 3.06Å; F388-A391 PolarHBondContact O-N 3.49Å; F388-V392 HydrophobicContact CD1-CG2 4.26Å; F388-V392 HydrophobicContact CE1-CG2 3.92Å; F388-V392 HydrophobicContact CZ-CG2 4.07Å; F388-V392 WeakPolarHBondContact O-CG2 3.42Å; F388-V392 PolarHBondContact O-N 2.92Å; F388-K414 HydrophobicContact CE1-CG 4.47Å; F388-R429 HydrophobicContact CD2-CB 4.15Å; F388-R429 HydrophobicContact CD2-CG 4.38Å; F388-L433 HydrophobicContact CB-CD1 4.35Å; F388-L433 HydrophobicContact CD2-CD1 3.87Å; F388-L433 HydrophobicContact CD2-CD2 3.51Å; F388-L433 HydrophobicContact CD2-CG 3.45Å; F388-L433 VanDerWaalsContact CD2-CG 3.45Å; F388-L433 HydrophobicContact CE2-CD2 3.68Å; F388-L433 HydrophobicContact CE2-CG 3.8Å; F388-L433 HydrophobicContact CG-CD1 4.5Å; F388-L433 HydrophobicContact CG-CD2 4.16Å; F388-L433 HydrophobicContact CG-CG 4.38Å; F388-L433 HydrophobicContact CZ-CD2 4.48Å
389	D	95.3	Very high	93.8	Very high	63 Å²	63	50.2 Å²	50.2	34%	0.337	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-41.1	-180	-83.7	13.7	0	0	0	111.6	A385 N386 S393 K414	A385-D389 PolarHBondContact O-N 3.05Å; N386-D389 PolarHBondContact O-N 3.32Å; D389-S393 WeakPolarHBondContact O-CB 3.09Å; D389-S393 PolarHBondContact O-N 2.87Å; D389-S393 PolarHBondContact O-OG 3.28Å; D389-K414 VanDerWaalsContact CG-CE 3.48Å; D389-K414 VanDerWaalsContact CG-NZ 3.34Å; D389-K414 WeakPolarHBondContact OD1-CE 3.45Å; D389-K414 IonicContact OD1-NZ 3.77Å; D389-K414 IonicContact OD2-NZ 3.45Å; D389-K414 PolarHBondContact OD2-NZ 3.1Å
390	F	95.4	Very high	93.5	Very high	133 Å²	133	46.5 Å²	46.5	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-63.7	-50	176.4	179.4	-97.6	0	0	0	111.7	N386 D387 F388 V392 S393 D394	N386-F390 WeakPolarHBondContact O-CB 2.86Å; N386-F390 PolarHBondContact O-N 3.29Å; D387-F390 PolarHBondContact O-N 2.77Å; F388-F390 VanDerWaalsContact C-N 3.3Å; F388-F390 PolarHBondContact O-N 3.06Å; F390-V392 VanDerWaalsContact C-N 3.35Å; F390-V392 PolarHBondContact O-N 3.26Å; F390-S393 WeakPolarHBondContact O-CB 3.36Å; F390-S393 PolarHBondContact O-N 2.83Å; F390-S393 VanDerWaalsContact O-N 3.14Å; F390-D394 HydrophobicContact CE1-CB 4.47Å; F390-D394 WeakPolarHBondContact O-CB 3.48Å; F390-D394 PolarHBondContact O-N 3.2Å
391	A	95.5	Very high	92.8	Very high	9 Å²	9	40.7 Å²	40.7	7%	0.074	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-42.1	-179	0	0	0	0	0	112.1	F372 I376 D387 F388 F395 L433	F372-A391 HydrophobicContact CE1-CB 4.43Å; F372-A391 HydrophobicContact CZ-CB 4.2Å; I376-A391 HydrophobicContact CD1-CB 4.31Å; D387-A391 WeakPolarHBondContact O-CB 3.46Å; D387-A391 PolarHBondContact O-N 2.81Å; F388-A391 PolarHBondContact O-N 3.49Å; A391-F395 WeakPolarHBondContact O-CB 3.38Å; A391-F395 PolarHBondContact O-N 3.19Å; A391-L433 HydrophobicContact CB-CD1 4.39Å; A391-L433 HydrophobicContact CB-CD2 4.08Å
392	V	95	Very high	91.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-41.3	175.5	177.9	0	0	0	0	111.2	F388 F390 F395 V396 I413 K414 L433 L436	F388-V392 HydrophobicContact CD1-CG2 4.26Å; F388-V392 HydrophobicContact CE1-CG2 3.92Å; F388-V392 HydrophobicContact CZ-CG2 4.07Å; F388-V392 WeakPolarHBondContact O-CG2 3.42Å; F388-V392 PolarHBondContact O-N 2.92Å; F390-V392 VanDerWaalsContact C-N 3.35Å; F390-V392 PolarHBondContact O-N 3.26Å; V392-F395 PolarHBondContact O-N 2.76Å; V392-V396 HydrophobicContact CG1-CG2 4.5Å; V392-V396 VanDerWaalsContact O-CG2 3.29Å; V392-V396 WeakPolarHBondContact O-CG2 3.49Å; V392-V396 PolarHBondContact O-N 3.48Å; V392-I413 HydrophobicContact CG1-CB 4.16Å; V392-I413 HydrophobicContact CG1-CG2 3.62Å; V392-K414 HydrophobicContact CB-CG 4.07Å; V392-K414 HydrophobicContact CG1-CG 3.67Å; V392-K414 HydrophobicContact CG2-CG 4.4Å; V392-L433 HydrophobicContact CG2-CD2 3.9Å; V392-L436 HydrophobicContact CG1-CD1 4.41Å; V392-L436 HydrophobicContact CG2-CD1 3.82Å
393	S	92.3	Very high	89.5	Confident	32 Å²	32	49.1 Å²	49.1	22%	0.224	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-49.7	178.3	-56.4	0	0	0	0	111.5	D389 F390 F395 V396 D397 R410	D389-S393 WeakPolarHBondContact O-CB 3.09Å; D389-S393 PolarHBondContact O-N 2.87Å; D389-S393 PolarHBondContact O-OG 3.28Å; F390-S393 WeakPolarHBondContact O-CB 3.36Å; F390-S393 PolarHBondContact O-N 2.83Å; F390-S393 VanDerWaalsContact O-N 3.14Å; S393-F395 VanDerWaalsContact C-N 3.33Å; S393-F395 PolarHBondContact O-N 3.47Å; S393-V396 PolarHBondContact O-N 3.48Å; S393-D397 PolarHBondContact O-N 3.07Å; S393-R410 WeakPolarHBondContact OG-CD 3.17Å
394	D	92.1	Very high	87.2	Confident	32 Å²	32	57 Å²	57	17%	0.171	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-43.8	177.7	-177	79.5	0	0	0	111.5	K328 F390 D397 H398	K328-D394 IonicContact NZ-OD2 3.24Å; K328-D394 PolarHBondContact NZ-OD2 2.98Å; F390-D394 HydrophobicContact CE1-CB 4.47Å; F390-D394 WeakPolarHBondContact O-CB 3.48Å; F390-D394 PolarHBondContact O-N 3.2Å; D394-D397 PolarHBondContact O-N 2.66Å; D394-H398 PolarHBondContact O-N 3.38Å; D394-H398 VanDerWaalsContact O-N 3.16Å; D394-H398 PolarHBondContact O-ND1 3.19Å; D394-H398 IonicContact OD1-CE1 2.84Å; D394-H398 PolarHBondContact OD1-CE1 3.39Å; D394-H398 IonicContact OD1-ND1 2.61Å; D394-H398 PolarHBondContact OD1-ND1 2.89Å; D394-H398 IonicContact OD2-CE1 2.77Å; D394-H398 IonicContact OD2-ND1 3.95Å; D394-H398 PolarHBondContact OD2-ND1 2.77Å
395	F	93.3	Very high	85.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.1	-50.4	175.1	172.5	-91.9	0	0	0	112.1	Y329 F372 A391 V392 S393 D397 H398 L399 L436 F437 H440 W583	Y329-F395 HydrophobicContact CE2-CD2 4.31Å; F372-F395 HydrophobicContact CE2-CD2 4.44Å; F372-F395 HydrophobicContact CZ-CB 4.16Å; F372-F395 HydrophobicContact CZ-CD2 4.41Å; A391-F395 WeakPolarHBondContact O-CB 3.38Å; A391-F395 PolarHBondContact O-N 3.19Å; V392-F395 PolarHBondContact O-N 2.76Å; S393-F395 VanDerWaalsContact C-N 3.33Å; S393-F395 PolarHBondContact O-N 3.47Å; F395-D397 PolarHBondContact O-N 3Å; F395-H398 PolarHBondContact O-N 2.91Å; F395-L399 HydrophobicContact CD1-CD1 4.33Å; F395-L399 HydrophobicContact CD2-CD1 3.71Å; F395-L399 HydrophobicContact CE1-CD1 3.85Å; F395-L399 HydrophobicContact CE2-CD1 3.15Å; F395-L399 HydrophobicContact CG-CD1 4.27Å; F395-L399 HydrophobicContact CZ-CD1 3.23Å; F395-L399 PolarHBondContact O-N 3.19Å; F395-L436 HydrophobicContact CD1-CD2 3.8Å; F395-L436 HydrophobicContact CD2-CD2 3.91Å; F395-L436 HydrophobicContact CE1-CD2 3.82Å; F395-L436 HydrophobicContact CE2-CD2 3.9Å; F395-L436 HydrophobicContact CG-CD2 3.84Å; F395-L436 HydrophobicContact CZ-CD2 3.85Å; F395-F437 AromaticContact CD2-CD2 3.75Å; F395-F437 HydrophobicContact CD2-CD2 3.75Å; F395-F437 HydrophobicContact CD2-CE2 4.06Å; F395-F437 AromaticContact CE2-CD2 3.64Å; F395-F437 HydrophobicContact CE2-CD2 3.64Å; F395-F437 HydrophobicContact CE2-CE2 4.01Å; F395-H440 HydrophobicContact CE2-CB 4.37Å; F395-H440 HydrophobicContact CZ-CB 3.69Å; F395-H440 AromaticContact CZ-CD2 3.95Å; F395-H440 AromaticContact CZ-CG 3.53Å; F395-H440 AromaticContact CZ-ND1 3.79Å; F395-W583 AromaticContact CE1-CH2 3.85Å; F395-W583 HydrophobicContact CE1-CH2 3.85Å; F395-W583 HydrophobicContact CE1-CZ3 4.47Å; F395-W583 HydrophobicContact CZ-CH2 4.41Å
396	V	91.3	Very high	83.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-45.9	-179	169	0	0	0	0	110.7	V392 S393 H398 L399 Y400 K406 L409 I413	V392-V396 HydrophobicContact CG1-CG2 4.5Å; V392-V396 VanDerWaalsContact O-CG2 3.29Å; V392-V396 WeakPolarHBondContact O-CG2 3.49Å; V392-V396 PolarHBondContact O-N 3.48Å; S393-V396 PolarHBondContact O-N 3.48Å; V396-H398 VanDerWaalsContact C-N 3.34Å; V396-H398 PolarHBondContact O-N 2.94Å; V396-L399 PolarHBondContact O-N 2.86Å; V396-Y400 PolarHBondContact O-N 3.01Å; V396-K406 HydrophobicContact CG1-CD 3.7Å; V396-K406 VanDerWaalsContact CG1-CE 3.42Å; V396-K406 HydrophobicContact CG1-CG 4.4Å; V396-K406 VanDerWaalsContact CG1-NZ 3.32Å; V396-K406 PolarHBondContact O-NZ 3.43Å; V396-L409 HydrophobicContact CG1-CD2 4.42Å; V396-I413 HydrophobicContact CG2-CD1 3.39Å
397	D	89	Confident	82.7	Confident	56 Å²	56	53.8 Å²	53.8	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-39.9	-176.5	-68.8	-9.5	0	0	0	112	S393 D394 F395 G401 R410	S393-D397 PolarHBondContact O-N 3.07Å; D394-D397 PolarHBondContact O-N 2.66Å; F395-D397 PolarHBondContact O-N 3Å; D397-G401 VanDerWaalsContact O-CA 3.27Å; D397-G401 WeakPolarHBondContact O-CA 3.47Å; D397-G401 PolarHBondContact O-N 3.4Å; D397-G401 VanDerWaalsContact O-N 3.11Å; D397-R410 IonicContact OD1-CZ 3.91Å; D397-R410 IonicContact OD1-NH2 2.76Å; D397-R410 PolarHBondContact OD1-NH2 2.89Å
398	H	89.5	Confident	82.1	Confident	72 Å²	72	54.6 Å²	54.6	33%	0.333	29%	0.288	S	S	.	.	H	α-helix	trans	-75.3	-33.5	-179.3	-74.3	101.4	0	0	0	114.5	K328 Y329 D394 F395 V396	K328-H398 HydrophobicContact CB-CB 4.12Å; K328-H398 WeakPolarHBondContact CB-CD2 3.35Å; Y329-H398 HydrophobicContact CD2-CB 3.83Å; Y329-H398 HydrophobicContact CE2-CB 3.81Å; D394-H398 PolarHBondContact O-N 3.38Å; D394-H398 VanDerWaalsContact O-N 3.16Å; D394-H398 PolarHBondContact O-ND1 3.19Å; D394-H398 IonicContact OD1-CE1 2.84Å; D394-H398 PolarHBondContact OD1-CE1 3.39Å; D394-H398 IonicContact OD1-ND1 2.61Å; D394-H398 PolarHBondContact OD1-ND1 2.89Å; D394-H398 IonicContact OD2-CE1 2.77Å; D394-H398 IonicContact OD2-ND1 3.95Å; D394-H398 PolarHBondContact OD2-ND1 2.77Å; F395-H398 PolarHBondContact O-N 2.91Å; V396-H398 VanDerWaalsContact C-N 3.34Å; V396-H398 PolarHBondContact O-N 2.94Å
399	L	88.8	Confident	81.7	Confident	30 Å²	30	54.3 Å²	54.3	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-92.1	-31.3	-176.8	-73.9	167.9	0	0	0	114	Y329 F395 V396	Y329-L399 HydrophobicContact CD2-CD1 4.22Å; Y329-L399 HydrophobicContact CD2-CD2 4.18Å; Y329-L399 HydrophobicContact CD2-CG 3.86Å; Y329-L399 HydrophobicContact CG-CD2 4.45Å; F395-L399 HydrophobicContact CD1-CD1 4.33Å; F395-L399 HydrophobicContact CD2-CD1 3.71Å; F395-L399 HydrophobicContact CE1-CD1 3.85Å; F395-L399 HydrophobicContact CE2-CD1 3.15Å; F395-L399 HydrophobicContact CG-CD1 4.27Å; F395-L399 HydrophobicContact CZ-CD1 3.23Å; F395-L399 PolarHBondContact O-N 3.19Å; V396-L399 PolarHBondContact O-N 2.86Å
400	Y	85.6	Confident	81.5	Confident	45 Å²	45	52.4 Å²	52.4	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-121.6	9.4	-173.7	-57.5	-89.2	0	0	0	112.7	V396 K406 L409 H440 W583 V587	V396-Y400 PolarHBondContact O-N 3.01Å; Y400-K406 WeakPolarHBondContact O-CE 3.09Å; Y400-K406 PolarHBondContact O-NZ 2.88Å; Y400-L409 HydrophobicContact CD1-CD2 4.47Å; Y400-L409 HydrophobicContact CD2-CD2 4.26Å; Y400-L409 HydrophobicContact CG-CD2 4.17Å; Y400-H440 AromaticContact CE2-NE2 3.92Å; Y400-H440 AromaticContact CZ-NE2 3.57Å; Y400-H440 PolarHBondContact OH-CD2 3.48Å; Y400-H440 VanDerWaalsContact OH-CD2 3.28Å; Y400-H440 PolarHBondContact OH-NE2 2.85Å; Y400-W583 HydrophobicContact CE2-CZ3 4.32Å; Y400-W583 WeakPolarHBondContact OH-CZ3 3.48Å; Y400-V587 HydrophobicContact CE1-CG1 3.84Å; Y400-V587 WeakPolarHBondContact OH-CG1 3.4Å
401	G	76.9	Confident	81.3	Confident	36 Å²	36	50.9 Å²	50.9	37%	0.371	27%	0.269	S	S	.	.			trans	72.3	-159.4	175.7	0	0	0	0	0	116.6	D397 K406	D397-G401 VanDerWaalsContact O-CA 3.27Å; D397-G401 WeakPolarHBondContact O-CA 3.47Å; D397-G401 PolarHBondContact O-N 3.4Å; D397-G401 VanDerWaalsContact O-N 3.11Å; G401-K406 PolarHBondContact O-NZ 2.94Å
402	Y	64.7	Low	81.2	Confident	190 Å²	190	52.1 Å²	52.1	75%	0.745	28%	0.276	S	S	*	.			trans	-128.1	69.2	175.1	-160.7	-89.6	0	0	0	112.3
403	P	52.1	Low	81.2	Confident	45 Å²	45	52.1 Å²	52.1	29%	0.292	28%	0.276	S	S	.	.			trans	-87.9	147.1	167.9	27.4	-18.2	0	0	0	111.5	G405	P403-G405 PolarHBondContact O-N 3.25Å
404	E	49.8	Very low	81.4	Confident	166 Å²	166	51.9 Å²	51.9	78%	0.776	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	128.6	173.8	-67.1	-179.5	160.8	0	0	110.7
405	G	56.2	Low	81.6	Confident	37 Å²	37	55.7 Å²	55.7	38%	0.381	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.2	-3.9	-179.2	0	0	0	0	0	116.1	P403 D407 N594	P403-G405 PolarHBondContact O-N 3.25Å; G405-D407 VanDerWaalsContact C-N 3.31Å; G405-D407 PolarHBondContact O-N 3.02Å; G405-N594 WeakPolarHBondContact CA-OD1 3.37Å; G405-N594 PolarHBondContact O-ND2 3.24Å; G405-N594 PolarHBondContact O-OD1 2.66Å
406	K	64.5	Low	81.8	Confident	6 Å²	6	57 Å²	57	3%	0.026	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-7.4	-175.3	-135.8	-164.3	-173.1	-173.6	0	116.5	V396 Y400 G401 T408 L409 R410	V396-K406 HydrophobicContact CG1-CD 3.7Å; V396-K406 VanDerWaalsContact CG1-CE 3.42Å; V396-K406 HydrophobicContact CG1-CG 4.4Å; V396-K406 VanDerWaalsContact CG1-NZ 3.32Å; V396-K406 PolarHBondContact O-NZ 3.43Å; Y400-K406 WeakPolarHBondContact O-CE 3.09Å; Y400-K406 PolarHBondContact O-NZ 2.88Å; G401-K406 PolarHBondContact O-NZ 2.94Å; K406-T408 PolarHBondContact O-N 3.13Å; K406-L409 HydrophobicContact CG-CB 4.22Å; K406-L409 HydrophobicContact CG-CD2 4.31Å; K406-L409 PolarHBondContact O-N 2.96Å; K406-L409 VanDerWaalsContact O-N 3.07Å; K406-R410 PolarHBondContact O-N 3.44Å
407	D	74.2	Confident	82.1	Confident	110 Å²	110	57.2 Å²	57.2	59%	0.588	29%	0.294	S	S	*	.	H	α-helix	trans	-56.6	-35.2	172	-69	-18.2	0	0	0	110.7	G405 L409 R410 E411	G405-D407 VanDerWaalsContact C-N 3.31Å; G405-D407 PolarHBondContact O-N 3.02Å; D407-L409 PolarHBondContact O-N 3.3Å; D407-R410 PolarHBondContact O-N 3.41Å; D407-R410 IonicContact OD1-NH1 3.46Å; D407-R410 PolarHBondContact OD1-NH1 3.19Å; D407-E411 VanDerWaalsContact O-CB 3.29Å; D407-E411 WeakPolarHBondContact O-CB 3.46Å; D407-E411 VanDerWaalsContact O-CG 3.31Å; D407-E411 WeakPolarHBondContact O-CG 3.29Å; D407-E411 PolarHBondContact O-N 2.82Å
408	T	85.8	Confident	82.5	Confident	79 Å²	79	55.9 Å²	55.9	49%	0.485	29%	0.288	S	S	.	.	H	α-helix	trans	-60.3	-46.5	175	-50.2	0	0	0	0	111.9	K406 T412 L590	K406-T408 PolarHBondContact O-N 3.13Å; T408-T412 VanDerWaalsContact O-CB 3.24Å; T408-T412 WeakPolarHBondContact O-CB 3.43Å; T408-T412 PolarHBondContact O-N 2.7Å; T408-T412 PolarHBondContact O-OG1 3.07Å; T408-L590 HydrophobicContact CG2-CD2 4.29Å
409	L	88.2	Confident	82.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-46.9	-179.8	179	61.3	0	0	0	110.7	V396 Y400 K406 D407 T412 I413 V587 L590	V396-L409 HydrophobicContact CG1-CD2 4.42Å; Y400-L409 HydrophobicContact CD1-CD2 4.47Å; Y400-L409 HydrophobicContact CD2-CD2 4.26Å; Y400-L409 HydrophobicContact CG-CD2 4.17Å; K406-L409 HydrophobicContact CG-CB 4.22Å; K406-L409 HydrophobicContact CG-CD2 4.31Å; K406-L409 PolarHBondContact O-N 2.96Å; K406-L409 VanDerWaalsContact O-N 3.07Å; D407-L409 PolarHBondContact O-N 3.3Å; L409-T412 PolarHBondContact O-N 3.31Å; L409-I413 HydrophobicContact CD1-CD1 3.9Å; L409-I413 HydrophobicContact CD1-CG1 4.24Å; L409-I413 HydrophobicContact CG-CD1 3.85Å; L409-I413 VanDerWaalsContact O-CG1 3.31Å; L409-I413 WeakPolarHBondContact O-CG1 3.05Å; L409-I413 PolarHBondContact O-N 3.46Å; L409-V587 HydrophobicContact CD1-CB 4.26Å; L409-V587 HydrophobicContact CD1-CG1 3.81Å; L409-V587 HydrophobicContact CD1-CG2 3.86Å; L409-L590 HydrophobicContact CD1-CB 4.33Å; L409-L590 HydrophobicContact CD1-CD1 4.31Å
410	R	90.4	Very high	83.1	Confident	23 Å²	23	57.1 Å²	57.1	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-50.2	179.2	-172.6	-176.8	-63.1	107.9	-0.5	111.9	S393 D397 K406 D407 T412 I413 K414	S393-R410 WeakPolarHBondContact OG-CD 3.17Å; D397-R410 IonicContact OD1-CZ 3.91Å; D397-R410 IonicContact OD1-NH2 2.76Å; D397-R410 PolarHBondContact OD1-NH2 2.89Å; K406-R410 PolarHBondContact O-N 3.44Å; D407-R410 PolarHBondContact O-N 3.41Å; D407-R410 IonicContact OD1-NH1 3.46Å; D407-R410 PolarHBondContact OD1-NH1 3.19Å; R410-T412 VanDerWaalsContact C-N 3.3Å; R410-T412 PolarHBondContact O-N 2.74Å; R410-I413 PolarHBondContact O-N 3.12Å; R410-K414 HydrophobicContact CG-CD 4.32Å; R410-K414 WeakPolarHBondContact O-CG 3.27Å; R410-K414 PolarHBondContact O-N 2.95Å
411	E	92.5	Very high	83.5	Confident	101 Å²	101	58.1 Å²	58.1	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-66.3	-33.6	178.5	-69.6	-58.7	133.2	0	0	112	D407 K414 F415	D407-E411 VanDerWaalsContact O-CB 3.29Å; D407-E411 WeakPolarHBondContact O-CB 3.46Å; D407-E411 VanDerWaalsContact O-CG 3.31Å; D407-E411 WeakPolarHBondContact O-CG 3.29Å; D407-E411 PolarHBondContact O-N 2.82Å; E411-K414 IonicContact OE1-NZ 2.8Å; E411-K414 PolarHBondContact OE1-NZ 3.48Å; E411-K414 IonicContact OE2-NZ 3.55Å; E411-F415 VanDerWaalsContact O-CB 3.23Å; E411-F415 WeakPolarHBondContact O-CB 3.46Å; E411-F415 PolarHBondContact O-N 2.93Å
412	T	93.9	Very high	84.4	Confident	34 Å²	34	59.5 Å²	59.5	21%	0.209	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-43.7	173.5	-55.7	0	0	0	0	111.4	T408 L409 R410 F415 M416 F582 L586 L590	T408-T412 VanDerWaalsContact O-CB 3.24Å; T408-T412 WeakPolarHBondContact O-CB 3.43Å; T408-T412 PolarHBondContact O-N 2.7Å; T408-T412 PolarHBondContact O-OG1 3.07Å; L409-T412 PolarHBondContact O-N 3.31Å; R410-T412 VanDerWaalsContact C-N 3.3Å; R410-T412 PolarHBondContact O-N 2.74Å; T412-F415 WeakPolarHBondContact O-CB 3.45Å; T412-F415 PolarHBondContact O-N 3.25Å; T412-M416 HydrophobicContact CG2-CG 4.29Å; T412-M416 WeakPolarHBondContact O-CB 3.32Å; T412-M416 VanDerWaalsContact O-CG 3.25Å; T412-M416 WeakPolarHBondContact O-CG 3.39Å; T412-M416 PolarHBondContact O-N 2.89Å; T412-F582 HydrophobicContact CG2-CE2 3.79Å; T412-F582 HydrophobicContact CG2-CZ 4.37Å; T412-L586 HydrophobicContact CG2-CD2 4.35Å; T412-L590 HydrophobicContact CG2-CD1 3.94Å
413	I	94.8	Very high	85.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-48.1	176.4	-68.9	164.2	0	0	0	110.1	V392 V396 L409 R410 F415 M416 Y417 L436 F582 W583	V392-I413 HydrophobicContact CG1-CB 4.16Å; V392-I413 HydrophobicContact CG1-CG2 3.62Å; V396-I413 HydrophobicContact CG2-CD1 3.39Å; L409-I413 HydrophobicContact CD1-CD1 3.9Å; L409-I413 HydrophobicContact CD1-CG1 4.24Å; L409-I413 HydrophobicContact CG-CD1 3.85Å; L409-I413 VanDerWaalsContact O-CG1 3.31Å; L409-I413 WeakPolarHBondContact O-CG1 3.05Å; L409-I413 PolarHBondContact O-N 3.46Å; R410-I413 PolarHBondContact O-N 3.12Å; I413-F415 VanDerWaalsContact C-N 3.29Å; I413-F415 PolarHBondContact O-N 3.38Å; I413-M416 PolarHBondContact O-N 3.34Å; I413-Y417 HydrophobicContact CG2-CD2 4.12Å; I413-Y417 WeakPolarHBondContact O-CD2 3.43Å; I413-Y417 PolarHBondContact O-N 2.93Å; I413-L436 HydrophobicContact CG2-CD1 3.5Å; I413-L436 HydrophobicContact CG2-CG 4.39Å; I413-F582 HydrophobicContact CB-CZ 4.46Å; I413-F582 HydrophobicContact CG1-CE1 4Å; I413-F582 HydrophobicContact CG1-CZ 3.64Å; I413-W583 HydrophobicContact CD1-CH2 3.69Å; I413-W583 HydrophobicContact CD1-CZ3 3.88Å; I413-W583 HydrophobicContact CG1-CH2 3.79Å; I413-W583 HydrophobicContact CG1-CZ3 4.15Å; I413-W583 HydrophobicContact CG2-CH2 4.16Å
414	K	95.7	Very high	87.8	Confident	28 Å²	28	60 Å²	60	12%	0.122	31%	0.308	C	S	.	.	H	α-helix	trans	-54.7	-46.6	174.5	-71.9	171.2	58.2	175.9	0	111.2	F388 D389 V392 R410 E411 M416 Y417 T418	F388-K414 HydrophobicContact CE1-CG 4.47Å; D389-K414 VanDerWaalsContact CG-CE 3.48Å; D389-K414 VanDerWaalsContact CG-NZ 3.34Å; D389-K414 WeakPolarHBondContact OD1-CE 3.45Å; D389-K414 IonicContact OD1-NZ 3.77Å; D389-K414 IonicContact OD2-NZ 3.45Å; D389-K414 PolarHBondContact OD2-NZ 3.1Å; V392-K414 HydrophobicContact CB-CG 4.07Å; V392-K414 HydrophobicContact CG1-CG 3.67Å; V392-K414 HydrophobicContact CG2-CG 4.4Å; R410-K414 HydrophobicContact CG-CD 4.32Å; R410-K414 WeakPolarHBondContact O-CG 3.27Å; R410-K414 PolarHBondContact O-N 2.95Å; E411-K414 IonicContact OE1-NZ 2.8Å; E411-K414 PolarHBondContact OE1-NZ 3.48Å; E411-K414 IonicContact OE2-NZ 3.55Å; K414-M416 PolarHBondContact O-N 3.45Å; K414-Y417 PolarHBondContact O-N 3.28Å; K414-T418 WeakPolarHBondContact O-CB 3.3Å; K414-T418 PolarHBondContact O-N 2.88Å; K414-T418 PolarHBondContact O-OG1 3.16Å
415	F	96.8	Very high	90	Very high	111 Å²	111	54.2 Å²	54.2	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-46.5	178	173.4	-90.1	0	0	0	112.1	E411 T412 I413 Y417 T418 W420	E411-F415 VanDerWaalsContact O-CB 3.23Å; E411-F415 WeakPolarHBondContact O-CB 3.46Å; E411-F415 PolarHBondContact O-N 2.93Å; T412-F415 WeakPolarHBondContact O-CB 3.45Å; T412-F415 PolarHBondContact O-N 3.25Å; I413-F415 VanDerWaalsContact C-N 3.29Å; I413-F415 PolarHBondContact O-N 3.38Å; F415-Y417 VanDerWaalsContact C-N 3.33Å; F415-Y417 PolarHBondContact O-N 3.08Å; F415-T418 PolarHBondContact O-N 3.38Å; F415-W420 HydrophobicContact CB-CZ2 4.39Å; F415-W420 AromaticContact CD2-CE2 3.66Å; F415-W420 HydrophobicContact CD2-CH2 4.34Å; F415-W420 AromaticContact CD2-CZ2 3.33Å; F415-W420 HydrophobicContact CD2-CZ2 3.33Å; F415-W420 AromaticContact CD2-NE1 3.67Å; F415-W420 AromaticContact CE2-CE2 3.75Å; F415-W420 AromaticContact CE2-CZ2 3.83Å; F415-W420 HydrophobicContact CE2-CZ2 3.83Å; F415-W420 AromaticContact CE2-NE1 3.61Å; F415-W420 HydrophobicContact CG-CZ2 4.13Å; F415-W420 PolarHBondContact O-NE1 3.49Å
416	M	97.1	Very high	92	Very high	29 Å²	29	54.6 Å²	54.6	14%	0.143	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-35.7	-178.3	-71.8	-59.4	-74.5	0	0	111.9	T412 I413 K414 T578 K579 F582	T412-M416 HydrophobicContact CG2-CG 4.29Å; T412-M416 WeakPolarHBondContact O-CB 3.32Å; T412-M416 VanDerWaalsContact O-CG 3.25Å; T412-M416 WeakPolarHBondContact O-CG 3.39Å; T412-M416 PolarHBondContact O-N 2.89Å; I413-M416 PolarHBondContact O-N 3.34Å; K414-M416 PolarHBondContact O-N 3.45Å; M416-T578 HydrophobicContact CE-CG2 4.39Å; M416-K579 PolarHBondContact O-NZ 3.42Å; M416-F582 HydrophobicContact CB-CE1 4.45Å; M416-F582 HydrophobicContact CB-CZ 4.39Å; M416-F582 HydrophobicContact CE-CB 4.17Å; M416-F582 HydrophobicContact CE-CD2 4.18Å; M416-F582 HydrophobicContact CE-CG 4.19Å; M416-F582 HydrophobicContact CG-CD2 3.9Å; M416-F582 HydrophobicContact CG-CE2 3.77Å; M416-F582 HydrophobicContact CG-CG 4.34Å; M416-F582 HydrophobicContact CG-CZ 4.08Å
417	Y	97.6	Very high	93.5	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-96.4	8.8	-178.7	-76.1	-86.3	0	0	0	114	I413 K414 F415 T432 A435 L436 D439 K579 F582 W583	I413-Y417 HydrophobicContact CG2-CD2 4.12Å; I413-Y417 WeakPolarHBondContact O-CD2 3.43Å; I413-Y417 PolarHBondContact O-N 2.93Å; K414-Y417 PolarHBondContact O-N 3.28Å; F415-Y417 VanDerWaalsContact C-N 3.33Å; F415-Y417 PolarHBondContact O-N 3.08Å; Y417-T432 WeakPolarHBondContact CD1-O 3.18Å; Y417-T432 WeakPolarHBondContact O-CB 3.37Å; Y417-T432 VanDerWaalsContact O-CG2 3.31Å; Y417-T432 WeakPolarHBondContact O-CG2 3.23Å; Y417-T432 PolarHBondContact O-OG1 3.4Å; Y417-A435 HydrophobicContact CE1-CB 4.3Å; Y417-L436 HydrophobicContact CD1-CB 3.68Å; Y417-L436 HydrophobicContact CD1-CG 4.48Å; Y417-L436 HydrophobicContact CD2-CB 4.25Å; Y417-L436 HydrophobicContact CD2-CD1 3.96Å; Y417-L436 HydrophobicContact CD2-CG 4.16Å; Y417-L436 HydrophobicContact CE1-CB 3.77Å; Y417-L436 HydrophobicContact CE2-CB 4.32Å; Y417-L436 HydrophobicContact CE2-CD1 4.49Å; Y417-L436 HydrophobicContact CE2-CG 4.22Å; Y417-L436 HydrophobicContact CG-CB 3.93Å; Y417-L436 HydrophobicContact CG-CD1 4.03Å; Y417-L436 HydrophobicContact CG-CG 4.29Å; Y417-D439 WeakPolarHBondContact CE1-OD2 3.35Å; Y417-D439 WeakPolarHBondContact OH-CB 3.35Å; Y417-D439 VanDerWaalsContact OH-CG 3.31Å; Y417-D439 PolarHBondContact OH-OD2 3.41Å; Y417-K579 HydrophobicContact CE1-CD 4.34Å; Y417-F582 HydrophobicContact CE2-CD1 4.31Å; Y417-F582 HydrophobicContact CE2-CE1 4.15Å; Y417-W583 AromaticContact CE2-CZ2 3.71Å; Y417-W583 HydrophobicContact CE2-CZ2 3.71Å; Y417-W583 AromaticContact CE2-NE1 3.99Å; Y417-W583 AromaticContact CZ-NE1 3.82Å; Y417-W583 PolarHBondContact OH-NE1 3.03Å
418	T	97.3	Very high	94.5	Very high	28 Å²	28	53.9 Å²	53.9	17%	0.172	27%	0.272	C	S	.	.	S	Bend	trans	-88.4	126.8	167.9	-63.5	0	0	0	0	109.7	K414 F415 W420 K423	K414-T418 WeakPolarHBondContact O-CB 3.3Å; K414-T418 PolarHBondContact O-N 2.88Å; K414-T418 PolarHBondContact O-OG1 3.16Å; F415-T418 PolarHBondContact O-N 3.38Å; T418-W420 HydrophobicContact CG2-CD2 3.91Å; T418-W420 HydrophobicContact CG2-CE3 4.11Å; T418-W420 HydrophobicContact CG2-CG 4.44Å; T418-W420 HydrophobicContact CG2-CH2 4.21Å; T418-W420 HydrophobicContact CG2-CZ2 3.99Å; T418-W420 HydrophobicContact CG2-CZ3 4.26Å; T418-W420 VanDerWaalsContact O-CD1 3.25Å; T418-W420 PolarHBondContact O-N 2.95Å; T418-W420 VanDerWaalsContact O-N 3.1Å; T418-K423 HydrophobicContact CG2-CG 3.97Å
419	D	95.6	Very high	95.1	Very high	8 Å²	8	52 Å²	52	4%	0.043	26%	0.256	C	S	.	.			trans	-74.6	97.3	165.6	-174.4	-11.7	0	0	0	109.4	A421 D422 K423 T428 I779	D419-A421 PolarHBondContact O-N 3.39Å; D419-A421 WeakPolarHBondContact OD1-CA 3.46Å; D419-A421 WeakPolarHBondContact OD1-CB 3.37Å; D419-A421 PolarHBondContact OD1-N 2.83Å; D419-D422 CarbonylContact O-C 3.58Å; D419-D422 VanDerWaalsContact O-C 3.29Å; D419-D422 PolarHBondContact O-N 3.13Å; D419-D422 PolarHBondContact OD1-N 3.34Å; D419-K423 WeakPolarHBondContact O-CA 3.12Å; D419-K423 PolarHBondContact O-N 2.54Å; D419-T428 HydrophobicContact CB-CG2 3.4Å; D419-T428 VanDerWaalsContact CB-CG2 3.4Å; D419-I779 HydrophobicContact CB-CD1 4.47Å; D419-I779 HydrophobicContact CB-CG2 3.87Å
420	W	95.2	Very high	95.5	Very high	119 Å²	119	52.3 Å²	52.3	45%	0.451	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.7	179.9	-64.5	102	0	0	0	114	F415 T418 K423	F415-W420 HydrophobicContact CB-CZ2 4.39Å; F415-W420 AromaticContact CD2-CE2 3.66Å; F415-W420 HydrophobicContact CD2-CH2 4.34Å; F415-W420 AromaticContact CD2-CZ2 3.33Å; F415-W420 HydrophobicContact CD2-CZ2 3.33Å; F415-W420 AromaticContact CD2-NE1 3.67Å; F415-W420 AromaticContact CE2-CE2 3.75Å; F415-W420 AromaticContact CE2-CZ2 3.83Å; F415-W420 HydrophobicContact CE2-CZ2 3.83Å; F415-W420 AromaticContact CE2-NE1 3.61Å; F415-W420 HydrophobicContact CG-CZ2 4.13Å; F415-W420 PolarHBondContact O-NE1 3.49Å; T418-W420 HydrophobicContact CG2-CD2 3.91Å; T418-W420 HydrophobicContact CG2-CE3 4.11Å; T418-W420 HydrophobicContact CG2-CG 4.44Å; T418-W420 HydrophobicContact CG2-CH2 4.21Å; T418-W420 HydrophobicContact CG2-CZ2 3.99Å; T418-W420 HydrophobicContact CG2-CZ3 4.26Å; T418-W420 VanDerWaalsContact O-CD1 3.25Å; T418-W420 PolarHBondContact O-N 2.95Å; T418-W420 VanDerWaalsContact O-N 3.1Å; W420-K423 HydrophobicContact CE3-CD 4.29Å; W420-K423 HydrophobicContact CZ3-CD 4.04Å
421	A	95.4	Very high	95.8	Very high	66 Å²	66	52.9 Å²	52.9	55%	0.545	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-21	175.6	0	0	0	0	0	112.4	D419 P780	D419-A421 PolarHBondContact O-N 3.39Å; D419-A421 WeakPolarHBondContact OD1-CA 3.46Å; D419-A421 WeakPolarHBondContact OD1-CB 3.37Å; D419-A421 PolarHBondContact OD1-N 2.83Å; A421-P780 HydrophobicContact CB-CG 4.43Å
422	D	94.4	Very high	96	Very high	65 Å²	65	48.4 Å²	48.4	35%	0.348	24%	0.24	S	C	.	.	S	Bend	trans	-144	48.1	-178	-163.3	20	0	0	0	112.3	D419 E424 N425	D419-D422 CarbonylContact O-C 3.58Å; D419-D422 VanDerWaalsContact O-C 3.29Å; D419-D422 PolarHBondContact O-N 3.13Å; D419-D422 PolarHBondContact OD1-N 3.34Å; D422-E424 VanDerWaalsContact C-N 3.26Å; D422-E424 PolarHBondContact O-N 3.42Å; D422-E424 VanDerWaalsContact O-N 3.16Å; D422-N425 HydrophobicContact CB-CB 4.42Å; D422-N425 WeakPolarHBondContact O-CB 3.29Å; D422-N425 PolarHBondContact O-N 3.47Å; D422-N425 VanDerWaalsContact O-N 3.12Å; D422-N425 WeakPolarHBondContact OD1-CB 3.49Å; D422-N425 WeakPolarHBondContact OD2-CB 3.47Å; D422-N425 PolarHBondContact OD2-ND2 3.4Å
423	K	93.8	Very high	96.2	Very high	108 Å²	108	46.8 Å²	46.8	47%	0.47	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.7	-168.1	-175.6	-174.7	177.4	-166.8	0	114.5	T418 D419 W420 N425	T418-K423 HydrophobicContact CG2-CG 3.97Å; D419-K423 WeakPolarHBondContact O-CA 3.12Å; D419-K423 PolarHBondContact O-N 2.54Å; W420-K423 HydrophobicContact CE3-CD 4.29Å; W420-K423 HydrophobicContact CZ3-CD 4.04Å; K423-N425 VanDerWaalsContact C-N 3.31Å
424	E	94.9	Very high	96.3	Very high	139 Å²	139	47.5 Å²	47.5	65%	0.65	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-9.7	-174.1	-58.8	-53.5	143.3	0	0	113	D422 P426	D422-E424 VanDerWaalsContact C-N 3.26Å; D422-E424 PolarHBondContact O-N 3.42Å; D422-E424 VanDerWaalsContact O-N 3.16Å; E424-P426 WeakPolarHBondContact O-CD 3.36Å
425	N	96.9	Very high	96.4	Very high	43 Å²	43	46.5 Å²	46.5	23%	0.23	23%	0.231	C	C	.	.			trans	-74.7	115.5	-175.6	-175.3	-23.5	0	0	0	112	D422 K423 E427 T428 R429	D422-N425 HydrophobicContact CB-CB 4.42Å; D422-N425 WeakPolarHBondContact O-CB 3.29Å; D422-N425 PolarHBondContact O-N 3.47Å; D422-N425 VanDerWaalsContact O-N 3.12Å; D422-N425 WeakPolarHBondContact OD1-CB 3.49Å; D422-N425 WeakPolarHBondContact OD2-CB 3.47Å; D422-N425 PolarHBondContact OD2-ND2 3.4Å; K423-N425 VanDerWaalsContact C-N 3.31Å; N425-E427 PolarHBondContact O-N 3Å; N425-E427 WeakPolarHBondContact OD1-CB 3.32Å; N425-E427 PolarHBondContact OD1-N 2.82Å; N425-T428 VanDerWaalsContact CG-OG1 3.32Å; N425-T428 PolarHBondContact ND2-OG1 3.44Å; N425-T428 PolarHBondContact O-N 3Å; N425-T428 PolarHBondContact OD1-N 3.29Å; N425-R429 PolarHBondContact O-N 3Å; N425-R429 VanDerWaalsContact O-N 3.09Å
426	P	96.9	Very high	96.5	Very high	45 Å²	45	41.2 Å²	41.2	29%	0.292	21%	0.208	S	C	.	.	H	α-helix	trans	-70	-31.3	-177	30.7	-36.4	0	0	0	113.3	V383 E424 T428 R429 R430	V383-P426 PolarHBondContact N-O 3.1Å; V383-P426 WeakPolarHBondContact O-CB 3.24Å; E424-P426 WeakPolarHBondContact O-CD 3.36Å; P426-T428 VanDerWaalsContact C-N 3.35Å; P426-R429 PolarHBondContact O-N 3.45Å; P426-R430 PolarHBondContact O-N 3.38Å; P426-R430 VanDerWaalsContact O-N 3.08Å
427	E	96.4	Very high	96.5	Very high	86 Å²	86	39.9 Å²	39.9	40%	0.402	20%	0.201	S	C	.	.	H	α-helix	trans	-67.2	-39.4	174.5	-65.8	-178.6	-147.7	0	0	110.9	N425 R430 K431	N425-E427 PolarHBondContact O-N 3Å; N425-E427 WeakPolarHBondContact OD1-CB 3.32Å; N425-E427 PolarHBondContact OD1-N 2.82Å; E427-R430 WeakPolarHBondContact O-CB 3.46Å; E427-R430 PolarHBondContact O-N 3.18Å; E427-K431 WeakPolarHBondContact O-CG 3.43Å; E427-K431 PolarHBondContact O-N 3.45Å
428	T	95.9	Very high	96.5	Very high	15 Å²	15	39.7 Å²	39.7	9%	0.092	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-43.1	176.5	-59.3	0	0	0	0	110.5	D419 N425 P426 R430 K431 T432 I779	D419-T428 HydrophobicContact CB-CG2 3.4Å; D419-T428 VanDerWaalsContact CB-CG2 3.4Å; N425-T428 VanDerWaalsContact CG-OG1 3.32Å; N425-T428 PolarHBondContact ND2-OG1 3.44Å; N425-T428 PolarHBondContact O-N 3Å; N425-T428 PolarHBondContact OD1-N 3.29Å; P426-T428 VanDerWaalsContact C-N 3.35Å; T428-R430 VanDerWaalsContact C-N 3.33Å; T428-R430 PolarHBondContact O-N 2.99Å; T428-K431 PolarHBondContact O-N 3.13Å; T428-T432 WeakPolarHBondContact O-CG2 3.41Å; T428-T432 PolarHBondContact O-N 3.46Å; T428-T432 PolarHBondContact O-OG1 3.02Å; T428-T432 VanDerWaalsContact O-OG1 3.08Å; T428-I779 HydrophobicContact CG2-CD1 4.48Å
429	R	97.1	Very high	96.6	Very high	41 Å²	41	38.5 Å²	38.5	16%	0.155	19%	0.194	C	C	.	.	H	α-helix	trans	-56.3	-45.1	172.8	-75.1	-168.4	-64	-110.1	-0.4	112.3	V383 F388 N425 P426 T432 L433	V383-R429 HydrophobicContact CB-CB 4.5Å; V383-R429 PolarHBondContact O-NE 3.34Å; V383-R429 PolarHBondContact O-NH2 3.25Å; F388-R429 HydrophobicContact CD2-CB 4.15Å; F388-R429 HydrophobicContact CD2-CG 4.38Å; N425-R429 PolarHBondContact O-N 3Å; N425-R429 VanDerWaalsContact O-N 3.09Å; P426-R429 PolarHBondContact O-N 3.45Å; R429-T432 VanDerWaalsContact CA-OG1 3.32Å; R429-T432 WeakPolarHBondContact CA-OG1 3.43Å; R429-T432 PolarHBondContact O-N 2.93Å; R429-T432 PolarHBondContact O-OG1 3.45Å; R429-L433 PolarHBondContact O-N 3.14Å
430	R	96.9	Very high	96.7	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-50.6	175.2	-172.7	-159.6	69.1	-157	3.9	111.6	V373 V377 D381 V383 P426 E427 T428 T432 L433 V434 W477	V373-R430 HydrophobicContact CG2-CG 4.21Å; V377-R430 HydrophobicContact CG2-CG 3.79Å; D381-R430 WeakPolarHBondContact O-CD 3.37Å; D381-R430 PolarHBondContact O-NH1 2.87Å; V383-R430 HydrophobicContact CB-CB 4.19Å; V383-R430 HydrophobicContact CG2-CB 3.64Å; V383-R430 HydrophobicContact CG2-CG 3.79Å; P426-R430 PolarHBondContact O-N 3.38Å; P426-R430 VanDerWaalsContact O-N 3.08Å; E427-R430 WeakPolarHBondContact O-CB 3.46Å; E427-R430 PolarHBondContact O-N 3.18Å; T428-R430 VanDerWaalsContact C-N 3.33Å; T428-R430 PolarHBondContact O-N 2.99Å; R430-T432 VanDerWaalsContact C-N 3.27Å; R430-T432 PolarHBondContact O-N 2.93Å; R430-L433 PolarHBondContact O-N 3.48Å; R430-L433 VanDerWaalsContact O-N 3.17Å; R430-V434 PolarHBondContact O-N 3.4Å; R430-V434 VanDerWaalsContact O-N 3.07Å; R430-W477 VanDerWaalsContact CZ-CG 3.43Å; R430-W477 VanDerWaalsContact NH1-CD1 3.33Å; R430-W477 VanDerWaalsContact NH2-CE3 3.27Å
431	K	96.5	Very high	96.8	Very high	36 Å²	36	34.2 Å²	34.2	16%	0.157	18%	0.178	C	C	.	.	H	α-helix	trans	-57.3	-41.1	178.3	-73.6	176.2	-179.6	175.2	0	112	E427 T428 V434 A435 P776	E427-K431 WeakPolarHBondContact O-CG 3.43Å; E427-K431 PolarHBondContact O-N 3.45Å; T428-K431 PolarHBondContact O-N 3.13Å; K431-V434 PolarHBondContact O-N 2.96Å; K431-A435 VanDerWaalsContact O-CB 3.26Å; K431-A435 WeakPolarHBondContact O-CB 3.36Å; K431-A435 PolarHBondContact O-N 3.42Å; K431-P776 HydrophobicContact CB-CG 4.44Å
432	T	97.4	Very high	97	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.043	15%	0.153	C	C	.	.	H	α-helix	trans	-70.6	-29.6	179.4	50.1	0	0	0	0	113.5	Y417 T428 R429 R430 L436 I779	Y417-T432 WeakPolarHBondContact CD1-O 3.18Å; Y417-T432 WeakPolarHBondContact O-CB 3.37Å; Y417-T432 VanDerWaalsContact O-CG2 3.31Å; Y417-T432 WeakPolarHBondContact O-CG2 3.23Å; Y417-T432 PolarHBondContact O-OG1 3.4Å; T428-T432 WeakPolarHBondContact O-CG2 3.41Å; T428-T432 PolarHBondContact O-N 3.46Å; T428-T432 PolarHBondContact O-OG1 3.02Å; T428-T432 VanDerWaalsContact O-OG1 3.08Å; R429-T432 VanDerWaalsContact CA-OG1 3.32Å; R429-T432 WeakPolarHBondContact CA-OG1 3.43Å; R429-T432 PolarHBondContact O-N 2.93Å; R429-T432 PolarHBondContact O-OG1 3.45Å; R430-T432 VanDerWaalsContact C-N 3.27Å; R430-T432 PolarHBondContact O-N 2.93Å; T432-L436 WeakPolarHBondContact O-CB 3.24Å; T432-L436 PolarHBondContact O-N 3.42Å; T432-I779 HydrophobicContact CG2-CD1 3.88Å
433	L	97.1	Very high	97.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.7	-45	172.1	-73.3	172.4	0	0	0	112.1	F372 V373 I376 V383 F388 A391 V392 R429 R430 A435 L436 F437	F372-L433 HydrophobicContact CD1-CB 4.44Å; F372-L433 HydrophobicContact CE1-CB 4.34Å; F372-L433 HydrophobicContact CE1-CD2 4.31Å; V373-L433 HydrophobicContact CG1-CB 3.61Å; V373-L433 HydrophobicContact CG1-CD1 4.28Å; I376-L433 HydrophobicContact CD1-CD1 3.96Å; V383-L433 HydrophobicContact CB-CD1 4.39Å; V383-L433 HydrophobicContact CG1-CD1 3.7Å; V383-L433 HydrophobicContact CG2-CD1 4.39Å; F388-L433 HydrophobicContact CB-CD1 4.35Å; F388-L433 HydrophobicContact CD2-CD1 3.87Å; F388-L433 HydrophobicContact CD2-CD2 3.51Å; F388-L433 HydrophobicContact CD2-CG 3.45Å; F388-L433 VanDerWaalsContact CD2-CG 3.45Å; F388-L433 HydrophobicContact CE2-CD2 3.68Å; F388-L433 HydrophobicContact CE2-CG 3.8Å; F388-L433 HydrophobicContact CG-CD1 4.5Å; F388-L433 HydrophobicContact CG-CD2 4.16Å; F388-L433 HydrophobicContact CG-CG 4.38Å; F388-L433 HydrophobicContact CZ-CD2 4.48Å; A391-L433 HydrophobicContact CB-CD1 4.39Å; A391-L433 HydrophobicContact CB-CD2 4.08Å; V392-L433 HydrophobicContact CG2-CD2 3.9Å; R429-L433 PolarHBondContact O-N 3.14Å; R430-L433 PolarHBondContact O-N 3.48Å; R430-L433 VanDerWaalsContact O-N 3.17Å; L433-A435 PolarHBondContact O-N 3.46Å; L433-L436 WeakPolarHBondContact O-CB 3.08Å; L433-L436 PolarHBondContact O-N 3.13Å; L433-F437 PolarHBondContact O-N 2.91Å; L433-F437 VanDerWaalsContact O-N 3.14Å
434	V	97.1	Very high	97.4	Very high	15 Å²	15	23.2 Å²	23.2	9%	0.091	12%	0.116	C	C	.	.	H	α-helix	trans	-56.8	-45.7	172.8	172.8	0	0	0	0	109.6	V373 R430 K431 F437 T438	V373-V434 HydrophobicContact CB-CG2 4.39Å; V373-V434 HydrophobicContact CG1-CG2 3.77Å; V373-V434 HydrophobicContact CG2-CG2 3.64Å; R430-V434 PolarHBondContact O-N 3.4Å; R430-V434 VanDerWaalsContact O-N 3.07Å; K431-V434 PolarHBondContact O-N 2.96Å; V434-F437 PolarHBondContact O-N 3.35Å; V434-T438 VanDerWaalsContact O-CB 3.22Å; V434-T438 WeakPolarHBondContact O-CB 3.48Å; V434-T438 PolarHBondContact O-N 3.26Å; V434-T438 PolarHBondContact O-OG1 3.2Å
435	A	98.1	Very high	97.6	Very high	7 Å²	7	17.1 Å²	17.1	6%	0.058	9%	0.088	C	C	.	.	H	α-helix	trans	-61.1	-43.1	176.1	0	0	0	0	0	112.9	Y417 K431 L433 F437 T438 D439 P776	Y417-A435 HydrophobicContact CE1-CB 4.3Å; K431-A435 VanDerWaalsContact O-CB 3.26Å; K431-A435 WeakPolarHBondContact O-CB 3.36Å; K431-A435 PolarHBondContact O-N 3.42Å; L433-A435 PolarHBondContact O-N 3.46Å; A435-F437 VanDerWaalsContact C-N 3.35Å; A435-F437 PolarHBondContact O-N 3.02Å; A435-T438 PolarHBondContact O-N 3.19Å; A435-D439 WeakPolarHBondContact O-CB 3.45Å; A435-D439 PolarHBondContact O-N 3.44Å; A435-P776 HydrophobicContact CB-CB 4.47Å
436	L	98.2	Very high	97.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.5	-50.3	178	177.7	158.8	0	0	0	111.4	V392 F395 I413 Y417 T432 L433 D439 H440 W583	V392-L436 HydrophobicContact CG1-CD1 4.41Å; V392-L436 HydrophobicContact CG2-CD1 3.82Å; F395-L436 HydrophobicContact CD1-CD2 3.8Å; F395-L436 HydrophobicContact CD2-CD2 3.91Å; F395-L436 HydrophobicContact CE1-CD2 3.82Å; F395-L436 HydrophobicContact CE2-CD2 3.9Å; F395-L436 HydrophobicContact CG-CD2 3.84Å; F395-L436 HydrophobicContact CZ-CD2 3.85Å; I413-L436 HydrophobicContact CG2-CD1 3.5Å; I413-L436 HydrophobicContact CG2-CG 4.39Å; Y417-L436 HydrophobicContact CD1-CB 3.68Å; Y417-L436 HydrophobicContact CD1-CG 4.48Å; Y417-L436 HydrophobicContact CD2-CB 4.25Å; Y417-L436 HydrophobicContact CD2-CD1 3.96Å; Y417-L436 HydrophobicContact CD2-CG 4.16Å; Y417-L436 HydrophobicContact CE1-CB 3.77Å; Y417-L436 HydrophobicContact CE2-CB 4.32Å; Y417-L436 HydrophobicContact CE2-CD1 4.49Å; Y417-L436 HydrophobicContact CE2-CG 4.22Å; Y417-L436 HydrophobicContact CG-CB 3.93Å; Y417-L436 HydrophobicContact CG-CD1 4.03Å; Y417-L436 HydrophobicContact CG-CG 4.29Å; T432-L436 WeakPolarHBondContact O-CB 3.24Å; T432-L436 PolarHBondContact O-N 3.42Å; L433-L436 WeakPolarHBondContact O-CB 3.08Å; L433-L436 PolarHBondContact O-N 3.13Å; L436-D439 PolarHBondContact O-N 2.97Å; L436-H440 PolarHBondContact O-N 3.21Å; L436-H440 VanDerWaalsContact O-N 3.14Å; L436-W583 HydrophobicContact CG-CZ2 4.32Å
437	F	97.6	Very high	97.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-69.9	-41.6	-178.9	-160.8	-110.8	0	0	0	111.5	D115 W280 Y329 F372 F395 L433 V434 A435 D439 Q441 W442	D115-F437 HydrophobicContact CB-CE1 4.34Å; D115-F437 HydrophobicContact CB-CZ 4.44Å; W280-F437 HydrophobicContact CH2-CE1 4.08Å; W280-F437 HydrophobicContact CH2-CZ 4.2Å; W280-F437 HydrophobicContact CZ3-CE1 4.15Å; W280-F437 AromaticContact CZ3-CZ 3.86Å; W280-F437 HydrophobicContact CZ3-CZ 3.86Å; Y329-F437 AromaticContact CD1-CE2 3.56Å; Y329-F437 HydrophobicContact CD1-CE2 3.56Å; Y329-F437 AromaticContact CD1-CZ 3.52Å; Y329-F437 HydrophobicContact CD1-CZ 3.52Å; Y329-F437 AromaticContact CE1-CE2 3.38Å; Y329-F437 HydrophobicContact CE1-CE2 3.38Å; Y329-F437 AromaticContact CE1-CZ 3.56Å; Y329-F437 HydrophobicContact CE1-CZ 3.56Å; Y329-F437 HydrophobicContact CG-CE2 4.22Å; Y329-F437 HydrophobicContact CG-CZ 4.45Å; Y329-F437 AromaticContact CZ-CE2 3.92Å; F372-F437 HydrophobicContact CB-CB 3.81Å; F372-F437 HydrophobicContact CB-CD1 3.58Å; F372-F437 HydrophobicContact CB-CD2 4.29Å; F372-F437 HydrophobicContact CB-CE1 4.19Å; F372-F437 HydrophobicContact CB-CG 3.64Å; F372-F437 HydrophobicContact CD1-CB 3.57Å; F372-F437 HydrophobicContact CD1-CD2 4.3Å; F372-F437 HydrophobicContact CD1-CG 4.02Å; F372-F437 HydrophobicContact CD2-CB 4.25Å; F372-F437 HydrophobicContact CD2-CD1 4.27Å; F372-F437 AromaticContact CD2-CD2 3.52Å; F372-F437 HydrophobicContact CD2-CD2 3.52Å; F372-F437 AromaticContact CD2-CE2 3.83Å; F372-F437 HydrophobicContact CD2-CE2 3.83Å; F372-F437 AromaticContact CD2-CG 3.76Å; F372-F437 HydrophobicContact CD2-CG 3.76Å; F372-F437 HydrophobicContact CD2-CZ 4.32Å; F372-F437 HydrophobicContact CE1-CB 4.18Å; F372-F437 AromaticContact CE2-CD2 3.84Å; F372-F437 HydrophobicContact CE2-CD2 3.84Å; F372-F437 HydrophobicContact CE2-CE2 4.21Å; F372-F437 HydrophobicContact CE2-CG 4.44Å; F372-F437 HydrophobicContact CG-CB 3.61Å; F372-F437 AromaticContact CG-CD1 3.99Å; F372-F437 HydrophobicContact CG-CD1 3.99Å; F372-F437 AromaticContact CG-CD2 3.78Å; F372-F437 HydrophobicContact CG-CD2 3.78Å; F372-F437 HydrophobicContact CG-CE2 4.44Å; F372-F437 AromaticContact CG-CG 3.52Å; F372-F437 HydrophobicContact CG-CG 3.52Å; F372-F437 HydrophobicContact CZ-CD2 4.35Å; F395-F437 AromaticContact CD2-CD2 3.75Å; F395-F437 HydrophobicContact CD2-CD2 3.75Å; F395-F437 HydrophobicContact CD2-CE2 4.06Å; F395-F437 AromaticContact CE2-CD2 3.64Å; F395-F437 HydrophobicContact CE2-CD2 3.64Å; F395-F437 HydrophobicContact CE2-CE2 4.01Å; L433-F437 PolarHBondContact O-N 2.91Å; L433-F437 VanDerWaalsContact O-N 3.14Å; V434-F437 PolarHBondContact O-N 3.35Å; A435-F437 VanDerWaalsContact C-N 3.35Å; A435-F437 PolarHBondContact O-N 3.02Å; F437-D439 VanDerWaalsContact C-N 3.34Å; F437-D439 PolarHBondContact O-N 3.14Å; F437-Q441 HydrophobicContact CD1-CG 4.28Å; F437-Q441 HydrophobicContact CD2-CG 4.02Å; F437-Q441 HydrophobicContact CE1-CG 4.05Å; F437-Q441 HydrophobicContact CE2-CG 3.76Å; F437-Q441 HydrophobicContact CG-CG 4.27Å; F437-Q441 HydrophobicContact CZ-CG 3.79Å; F437-Q441 VanDerWaalsContact O-CB 3.31Å; F437-Q441 WeakPolarHBondContact O-CB 3.41Å; F437-Q441 WeakPolarHBondContact O-CG 3.32Å; F437-Q441 PolarHBondContact O-N 3.3Å; F437-W442 HydrophobicContact CD1-CH2 4.04Å; F437-W442 AromaticContact CD1-CZ3 3.6Å; F437-W442 HydrophobicContact CD1-CZ3 3.6Å; F437-W442 AromaticContact CE1-CH2 3.85Å; F437-W442 HydrophobicContact CE1-CH2 3.85Å; F437-W442 AromaticContact CE1-CZ3 3.81Å; F437-W442 HydrophobicContact CE1-CZ3 3.81Å
438	T	98.4	Very high	97.9	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-56.7	-47.5	174.1	-58.9	0	0	0	0	111.4	E368 G369 V434 A435 W442 V443	E368-T438 HydrophobicContact CB-CG2 3.89Å; E368-T438 HydrophobicContact CG-CG2 3.9Å; E368-T438 PolarHBondContact N-OG1 3.37Å; G369-T438 PolarHBondContact N-OG1 2.83Å; V434-T438 VanDerWaalsContact O-CB 3.22Å; V434-T438 WeakPolarHBondContact O-CB 3.48Å; V434-T438 PolarHBondContact O-N 3.26Å; V434-T438 PolarHBondContact O-OG1 3.2Å; A435-T438 PolarHBondContact O-N 3.19Å; T438-W442 PolarHBondContact O-N 2.79Å; T438-V443 HydrophobicContact CG2-CG2 3.86Å; T438-V443 PolarHBondContact O-N 3.26Å
439	D	98.6	Very high	98	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.016	5%	0.05	C	C	.	.	I	π-helix	trans	-64.9	-47.5	-175.6	-72.1	-20.5	0	0	0	111.7	Y417 A435 L436 F437 V443 A444 R576 K579	Y417-D439 WeakPolarHBondContact CE1-OD2 3.35Å; Y417-D439 WeakPolarHBondContact OH-CB 3.35Å; Y417-D439 VanDerWaalsContact OH-CG 3.31Å; Y417-D439 PolarHBondContact OH-OD2 3.41Å; A435-D439 WeakPolarHBondContact O-CB 3.45Å; A435-D439 PolarHBondContact O-N 3.44Å; L436-D439 PolarHBondContact O-N 2.97Å; F437-D439 VanDerWaalsContact C-N 3.34Å; F437-D439 PolarHBondContact O-N 3.14Å; D439-V443 PolarHBondContact O-N 3.07Å; D439-A444 VanDerWaalsContact O-CB 3.24Å; D439-A444 WeakPolarHBondContact O-CB 3.47Å; D439-A444 PolarHBondContact O-N 2.73Å; D439-R576 VanDerWaalsContact CG-NH2 3.35Å; D439-R576 IonicContact OD1-CZ 2.78Å; D439-R576 VanDerWaalsContact OD1-CZ 3.26Å; D439-R576 IonicContact OD1-NE 2.66Å; D439-R576 PolarHBondContact OD1-NE 3.22Å; D439-R576 IonicContact OD1-NH2 2.71Å; D439-R576 PolarHBondContact OD1-NH2 3.03Å; D439-R576 IonicContact OD2-CZ 3.71Å; D439-R576 IonicContact OD2-NE 3.62Å; D439-R576 IonicContact OD2-NH2 3.38Å; D439-R576 PolarHBondContact OD2-NH2 3.2Å; D439-K579 WeakPolarHBondContact OD2-CB 3.37Å
440	H	98.2	Very high	98.1	Very high	34 Å²	34	7.5 Å²	7.5	16%	0.157	4%	0.042	C	C	.	.	I	π-helix	trans	-73.2	-46.1	-176.9	-177.1	-84.2	0	0	0	112.4	F395 Y400 L436 P445 W583	F395-H440 HydrophobicContact CE2-CB 4.37Å; F395-H440 HydrophobicContact CZ-CB 3.69Å; F395-H440 AromaticContact CZ-CD2 3.95Å; F395-H440 AromaticContact CZ-CG 3.53Å; F395-H440 AromaticContact CZ-ND1 3.79Å; Y400-H440 AromaticContact CE2-NE2 3.92Å; Y400-H440 AromaticContact CZ-NE2 3.57Å; Y400-H440 PolarHBondContact OH-CD2 3.48Å; Y400-H440 VanDerWaalsContact OH-CD2 3.28Å; Y400-H440 PolarHBondContact OH-NE2 2.85Å; L436-H440 PolarHBondContact O-N 3.21Å; L436-H440 VanDerWaalsContact O-N 3.14Å; H440-P445 VanDerWaalsContact O-CD 3.24Å; H440-P445 WeakPolarHBondContact O-CD 3.36Å; H440-W583 HydrophobicContact CB-CD2 4.37Å; H440-W583 HydrophobicContact CB-CZ2 4.2Å; H440-W583 AromaticContact CD2-CD2 3.87Å; H440-W583 AromaticContact CD2-CE3 3.54Å; H440-W583 AromaticContact CD2-CZ3 3.69Å
441	Q	97.6	Very high	98.1	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.009	5%	0.05	C	C	.	.	I	π-helix	trans	-83.2	-25.3	-171	-63.8	-59.1	111	0	0	113.6	S279 W280 F437 P445	S279-Q441 PolarHBondContact OG-NE2 2.82Å; W280-Q441 HydrophobicContact CH2-CB 3.48Å; W280-Q441 VanDerWaalsContact CH2-CB 3.48Å; W280-Q441 HydrophobicContact CH2-CG 3.59Å; W280-Q441 HydrophobicContact CZ2-CB 3.61Å; W280-Q441 HydrophobicContact CZ2-CG 4.16Å; W280-Q441 HydrophobicContact CZ3-CB 4.28Å; W280-Q441 HydrophobicContact CZ3-CG 3.92Å; F437-Q441 HydrophobicContact CD1-CG 4.28Å; F437-Q441 HydrophobicContact CD2-CG 4.02Å; F437-Q441 HydrophobicContact CE1-CG 4.05Å; F437-Q441 HydrophobicContact CE2-CG 3.76Å; F437-Q441 HydrophobicContact CG-CG 4.27Å; F437-Q441 HydrophobicContact CZ-CG 3.79Å; F437-Q441 VanDerWaalsContact O-CB 3.31Å; F437-Q441 WeakPolarHBondContact O-CB 3.41Å; F437-Q441 WeakPolarHBondContact O-CG 3.32Å; F437-Q441 PolarHBondContact O-N 3.3Å; Q441-P445 WeakPolarHBondContact O-CG 3.22Å
442	W	98.6	Very high	98.1	Very high	5 Å²	5	8.4 Å²	8.4	2%	0.019	5%	0.049	C	C	.	.	I	π-helix	trans	-126.8	-53	-176.2	-66.5	-90.7	0	0	0	114	S273 W280 V364 E368 F437 T438 P445 A446 H482	S273-W442 PolarHBondContact O-NE1 2.81Å; S273-W442 VanDerWaalsContact O-NE1 3.15Å; W280-W442 HydrophobicContact CH2-CE3 4.43Å; W280-W442 AromaticContact CH2-CH2 3.42Å; W280-W442 HydrophobicContact CH2-CH2 3.42Å; W280-W442 VanDerWaalsContact CH2-CH2 3.42Å; W280-W442 AromaticContact CH2-CZ2 3.49Å; W280-W442 HydrophobicContact CH2-CZ2 3.49Å; W280-W442 VanDerWaalsContact CH2-CZ2 3.49Å; W280-W442 AromaticContact CH2-CZ3 3.9Å; W280-W442 HydrophobicContact CH2-CZ3 3.9Å; W280-W442 HydrophobicContact CZ2-CD2 4.17Å; W280-W442 AromaticContact CZ2-CE2 3.63Å; W280-W442 HydrophobicContact CZ2-CE3 4.47Å; W280-W442 AromaticContact CZ2-CH2 3.9Å; W280-W442 HydrophobicContact CZ2-CH2 3.9Å; W280-W442 AromaticContact CZ2-CZ2 3.49Å; W280-W442 HydrophobicContact CZ2-CZ2 3.49Å; W280-W442 VanDerWaalsContact CZ2-CZ2 3.49Å; W280-W442 HydrophobicContact CZ2-CZ3 4.35Å; V364-W442 HydrophobicContact CG1-CB 4.08Å; E368-W442 HydrophobicContact CB-CB 4.43Å; E368-W442 HydrophobicContact CB-CD2 3.43Å; E368-W442 VanDerWaalsContact CB-CD2 3.43Å; E368-W442 HydrophobicContact CB-CE3 3.38Å; E368-W442 HydrophobicContact CB-CG 3.93Å; E368-W442 HydrophobicContact CB-CH2 4.06Å; E368-W442 HydrophobicContact CB-CZ2 4.13Å; E368-W442 HydrophobicContact CB-CZ3 3.72Å; E368-W442 HydrophobicContact CG-CB 3.93Å; E368-W442 HydrophobicContact CG-CD2 3.83Å; E368-W442 HydrophobicContact CG-CE3 4.17Å; E368-W442 HydrophobicContact CG-CG 3.74Å; F437-W442 HydrophobicContact CD1-CH2 4.04Å; F437-W442 AromaticContact CD1-CZ3 3.6Å; F437-W442 HydrophobicContact CD1-CZ3 3.6Å; F437-W442 AromaticContact CE1-CH2 3.85Å; F437-W442 HydrophobicContact CE1-CH2 3.85Å; F437-W442 AromaticContact CE1-CZ3 3.81Å; F437-W442 HydrophobicContact CE1-CZ3 3.81Å; T438-W442 PolarHBondContact O-N 2.79Å; W442-P445 WeakPolarHBondContact O-CD 3.3Å; W442-P445 WeakPolarHBondContact O-CG 3.4Å; W442-A446 WeakPolarHBondContact O-CB 3.48Å; W442-A446 PolarHBondContact O-N 2.66Å; W442-H482 AromaticContact CE2-ND1 3.98Å; W442-H482 AromaticContact NE1-CE1 3.57Å; W442-H482 AromaticContact NE1-ND1 3.53Å
443	V	98.8	Very high	98.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	I	π-helix	trans	-68.4	-55	-169.7	-174.4	0	0	0	0	112	V364 T438 D439 A446 V447 Y575 V580	V364-V443 HydrophobicContact CG2-CG2 4.16Å; T438-V443 HydrophobicContact CG2-CG2 3.86Å; T438-V443 PolarHBondContact O-N 3.26Å; D439-V443 PolarHBondContact O-N 3.07Å; V443-A446 PolarHBondContact O-N 3.35Å; V443-V447 HydrophobicContact CG1-CG2 4.37Å; V443-V447 WeakPolarHBondContact O-CG2 3.48Å; V443-V447 PolarHBondContact O-N 3.06Å; V443-Y575 HydrophobicContact CG1-CD1 3.72Å; V443-Y575 HydrophobicContact CG1-CE1 3.68Å; V443-Y575 HydrophobicContact CG2-CE1 4.08Å; V443-V580 HydrophobicContact CG1-CG2 3.84Å
444	A	98.7	Very high	98.1	Very high	4 Å²	4	8.6 Å²	8.6	3%	0.033	5%	0.051	C	C	.	.	H	α-helix	trans	-57.3	-49.8	-179.5	0	0	0	0	0	112.4	D439 A446 V447 A448 W583 L584	D439-A444 VanDerWaalsContact O-CB 3.24Å; D439-A444 WeakPolarHBondContact O-CB 3.47Å; D439-A444 PolarHBondContact O-N 2.73Å; A444-A446 PolarHBondContact O-N 3.41Å; A444-V447 PolarHBondContact O-N 3.06Å; A444-A448 WeakPolarHBondContact O-CB 3.47Å; A444-A448 PolarHBondContact O-N 3.41Å; A444-W583 HydrophobicContact CB-CB 3.91Å; A444-W583 HydrophobicContact CB-CG 4.45Å; A444-L584 HydrophobicContact CB-CD2 4.15Å; A444-L584 HydrophobicContact CB-CG 4.39Å
445	P	98.7	Very high	97.9	Very high	11 Å²	11	13.6 Å²	13.6	7%	0.071	7%	0.074	C	C	.	.	H	α-helix	trans	-66.8	-34.6	177.5	24.3	-33.2	0	0	0	112.8	T275 L277 H440 Q441 W442 A448 T449	T275-P445 HydrophobicContact CG2-CB 4.42Å; T275-P445 WeakPolarHBondContact OG1-CB 3.23Å; L277-P445 HydrophobicContact CB-CB 3.83Å; H440-P445 VanDerWaalsContact O-CD 3.24Å; H440-P445 WeakPolarHBondContact O-CD 3.36Å; Q441-P445 WeakPolarHBondContact O-CG 3.22Å; W442-P445 WeakPolarHBondContact O-CD 3.3Å; W442-P445 WeakPolarHBondContact O-CG 3.4Å; P445-A448 PolarHBondContact O-N 3.09Å; P445-T449 PolarHBondContact O-N 2.71Å; P445-T449 PolarHBondContact O-OG1 2.88Å
446	A	98.8	Very high	97.1	Very high	3 Å²	3	19 Å²	19	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-41.3	175.1	0	0	0	0	0	112.3	T275 L362 V364 W442 V443 A444 T449 A450 F462	T275-A446 HydrophobicContact CG2-CB 4.16Å; L362-A446 VanDerWaalsContact CD1-O 3.32Å; L362-A446 WeakPolarHBondContact CD1-O 3.41Å; V364-A446 HydrophobicContact CG1-CB 3.77Å; W442-A446 WeakPolarHBondContact O-CB 3.48Å; W442-A446 PolarHBondContact O-N 2.66Å; V443-A446 PolarHBondContact O-N 3.35Å; A444-A446 PolarHBondContact O-N 3.41Å; A446-T449 PolarHBondContact O-N 3.35Å; A446-A450 WeakPolarHBondContact O-CB 3.41Å; A446-A450 PolarHBondContact O-N 3.49Å; A446-F462 HydrophobicContact CB-CE2 4.05Å; A446-F462 HydrophobicContact CB-CZ 4.19Å
447	V	98.8	Very high	96.6	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-67.3	-41.9	175.4	175.8	0	0	0	0	110.9	V443 A444 T449 A450 D451 F462 V580	V443-V447 HydrophobicContact CG1-CG2 4.37Å; V443-V447 WeakPolarHBondContact O-CG2 3.48Å; V443-V447 PolarHBondContact O-N 3.06Å; A444-V447 PolarHBondContact O-N 3.06Å; V447-T449 VanDerWaalsContact C-N 3.35Å; V447-T449 PolarHBondContact O-N 2.96Å; V447-A450 WeakPolarHBondContact O-CB 3.32Å; V447-A450 PolarHBondContact O-N 3.27Å; V447-A450 VanDerWaalsContact O-N 3.14Å; V447-D451 WeakPolarHBondContact O-CB 3.43Å; V447-D451 PolarHBondContact O-N 2.85Å; V447-F462 HydrophobicContact CG2-CE2 4.19Å; V447-F462 HydrophobicContact CG2-CZ 3.97Å; V447-V580 HydrophobicContact CB-CG1 3.94Å; V447-V580 HydrophobicContact CG1-CG1 3.78Å; V447-V580 HydrophobicContact CG2-CG1 4.43Å; V447-V580 HydrophobicContact CG2-CG2 4.15Å
448	A	98.4	Very high	96.6	Very high	18 Å²	18	22.9 Å²	22.9	15%	0.149	13%	0.131	C	C	.	.	H	α-helix	trans	-58.1	-45.5	174.3	0	0	0	0	0	112.1	L277 A444 P445 D451 L452 L584	L277-A448 HydrophobicContact CD1-CB 4.01Å; A444-A448 WeakPolarHBondContact O-CB 3.47Å; A444-A448 PolarHBondContact O-N 3.41Å; P445-A448 PolarHBondContact O-N 3.09Å; A448-D451 PolarHBondContact O-N 3.25Å; A448-L452 WeakPolarHBondContact O-CB 3.49Å; A448-L452 WeakPolarHBondContact O-CG 3.46Å; A448-L452 PolarHBondContact O-N 3.31Å; A448-L584 HydrophobicContact CB-CD1 4.04Å; A448-L584 HydrophobicContact CB-CD2 4.14Å
449	T	98.4	Very high	96.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-43.6	174	-59.3	0	0	0	0	111.8	M350 F355 L362 P445 A446 V447 H453	M350-T449 HydrophobicContact CE-CG2 3.97Å; M350-T449 HydrophobicContact SD-CG2 4.14Å; F355-T449 HydrophobicContact CE2-CG2 4.12Å; L362-T449 HydrophobicContact CD1-CG2 4.02Å; P445-T449 PolarHBondContact O-N 2.71Å; P445-T449 PolarHBondContact O-OG1 2.88Å; A446-T449 PolarHBondContact O-N 3.35Å; V447-T449 VanDerWaalsContact C-N 3.35Å; V447-T449 PolarHBondContact O-N 2.96Å; T449-H453 WeakPolarHBondContact O-CB 3.49Å; T449-H453 PolarHBondContact O-N 2.7Å
450	A	98.4	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-42.8	179.1	0	0	0	0	0	112.3	L362 A446 V447 A454 T460 F462 Y555	L362-A450 HydrophobicContact CD1-CB 4.04Å; L362-A450 HydrophobicContact CD2-CB 3.93Å; L362-A450 HydrophobicContact CG-CB 4.36Å; A446-A450 WeakPolarHBondContact O-CB 3.41Å; A446-A450 PolarHBondContact O-N 3.49Å; V447-A450 WeakPolarHBondContact O-CB 3.32Å; V447-A450 PolarHBondContact O-N 3.27Å; V447-A450 VanDerWaalsContact O-N 3.14Å; A450-A454 WeakPolarHBondContact O-CB 3.49Å; A450-A454 PolarHBondContact O-N 3.03Å; A450-T460 HydrophobicContact CB-CG2 4.22Å; A450-F462 HydrophobicContact CB-CD2 3.81Å; A450-F462 HydrophobicContact CB-CE2 4.21Å; A450-Y555 HydrophobicContact CB-CD1 3.89Å; A450-Y555 HydrophobicContact CB-CE1 3.57Å; A450-Y555 HydrophobicContact CB-CE2 4.48Å; A450-Y555 HydrophobicContact CB-CG 4.5Å
451	D	97.9	Very high	96.6	Very high	33 Å²	33	23 Å²	23	18%	0.176	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-51	179.2	-77.8	-21.9	0	0	0	110.7	V447 A448 H453 A454 Q455 Y555 P557 Q560	V447-D451 WeakPolarHBondContact O-CB 3.43Å; V447-D451 PolarHBondContact O-N 2.85Å; A448-D451 PolarHBondContact O-N 3.25Å; D451-H453 VanDerWaalsContact C-N 3.33Å; D451-H453 PolarHBondContact O-N 2.9Å; D451-A454 PolarHBondContact O-N 3.25Å; D451-Q455 VanDerWaalsContact O-CB 3.22Å; D451-Q455 WeakPolarHBondContact O-CB 3.41Å; D451-Q455 PolarHBondContact O-N 2.92Å; D451-Y555 VanDerWaalsContact OD1-CE1 3.26Å; D451-Y555 WeakPolarHBondContact OD1-CE1 3.37Å; D451-Y555 VanDerWaalsContact OD1-CZ 3.28Å; D451-Y555 PolarHBondContact OD1-OH 3.47Å; D451-P557 HydrophobicContact CB-CB 4.5Å; D451-P557 HydrophobicContact CB-CG 4.47Å; D451-P557 WeakPolarHBondContact OD1-CA 3.26Å; D451-Q560 PolarHBondContact OD1-NE2 3.09Å; D451-Q560 PolarHBondContact OD2-NE2 2.89Å
452	L	96.9	Very high	96.6	Very high	27 Å²	27	23 Å²	23	14%	0.141	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-41.2	178.6	-72.1	167.4	0	0	0	111.9	M350 E351 F355 A448 Y456	M350-L452 HydrophobicContact CB-CB 4.34Å; M350-L452 HydrophobicContact CB-CD1 3.7Å; M350-L452 HydrophobicContact SD-CD1 4.28Å; E351-L452 HydrophobicContact CG-CD2 4.04Å; F355-L452 HydrophobicContact CE1-CB 4.43Å; F355-L452 HydrophobicContact CZ-CB 3.94Å; A448-L452 WeakPolarHBondContact O-CB 3.49Å; A448-L452 WeakPolarHBondContact O-CG 3.46Å; A448-L452 PolarHBondContact O-N 3.31Å; L452-Y456 WeakPolarHBondContact O-CD2 3.48Å
453	H	97.6	Very high	96.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-68	-46.8	178.1	-171.2	-105.3	0	0	0	112	F355 Y358 I360 T449 D451 Q455 S458 T460	F355-H453 AromaticContact CD2-CD2 3.84Å; F355-H453 HydrophobicContact CE2-CB 3.71Å; F355-H453 AromaticContact CE2-CD2 3.87Å; F355-H453 HydrophobicContact CZ-CB 3.76Å; F355-H453 PolarHBondContact O-NE2 2.66Å; Y358-H453 PolarHBondContact O-CE1 3.38Å; Y358-H453 PolarHBondContact O-NE2 3.23Å; I360-H453 WeakPolarHBondContact CD1-CD2 3.4Å; I360-H453 WeakPolarHBondContact CD1-NE2 3.29Å; I360-H453 WeakPolarHBondContact CG1-NE2 3.49Å; T449-H453 WeakPolarHBondContact O-CB 3.49Å; T449-H453 PolarHBondContact O-N 2.7Å; D451-H453 VanDerWaalsContact C-N 3.33Å; D451-H453 PolarHBondContact O-N 2.9Å; H453-Q455 VanDerWaalsContact C-N 3.35Å; H453-Q455 PolarHBondContact O-N 3.17Å; H453-S458 WeakPolarHBondContact CE1-CB 3.33Å; H453-S458 WeakPolarHBondContact NE2-CB 3.21Å; H453-T460 PolarHBondContact ND1-OG1 3.39Å
454	A	96.8	Very high	96.6	Very high	10 Å²	10	22.8 Å²	22.8	8%	0.083	13%	0.134	C	C	.	.	H	α-helix	trans	-75.4	-22.1	-176.6	0	0	0	0	0	113.4	A450 D451 Y456 G457 T460 Y555 P557	A450-A454 WeakPolarHBondContact O-CB 3.49Å; A450-A454 PolarHBondContact O-N 3.03Å; D451-A454 PolarHBondContact O-N 3.25Å; A454-Y456 PolarHBondContact O-N 3.33Å; A454-G457 PolarHBondContact O-N 2.91Å; A454-T460 WeakPolarHBondContact CB-OG1 3.31Å; A454-Y555 HydrophobicContact CB-CD1 3.97Å; A454-Y555 HydrophobicContact CB-CE1 4.45Å; A454-P557 HydrophobicContact CB-CG 4.27Å
455	Q	92.6	Very high	96.6	Very high	121 Å²	121	22.6 Å²	22.6	57%	0.565	13%	0.132	S	C	*	.	H	α-helix	trans	-56.8	-33	-178.5	-179.9	173.1	6.3	0	0	112.7	D451 H453 P557	D451-Q455 VanDerWaalsContact O-CB 3.22Å; D451-Q455 WeakPolarHBondContact O-CB 3.41Å; D451-Q455 PolarHBondContact O-N 2.92Å; H453-Q455 VanDerWaalsContact C-N 3.35Å; H453-Q455 PolarHBondContact O-N 3.17Å; Q455-P557 HydrophobicContact CB-CG 4.34Å
456	Y	82.4	Confident	96.6	Very high	120 Å²	120	23.7 Å²	23.7	47%	0.471	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	9.5	-179.3	-59.1	-82.9	0	0	0	113.6	E351 L356 L452 A454	E351-Y456 PolarHBondContact O-OH 3.35Å; L356-Y456 VanDerWaalsContact CD1-CB 3.47Å; L356-Y456 HydrophobicContact CD1-CD1 4.17Å; L356-Y456 HydrophobicContact CD1-CD2 3.64Å; L356-Y456 HydrophobicContact CD1-CE2 4.35Å; L356-Y456 HydrophobicContact CD1-CG 3.5Å; L356-Y456 VanDerWaalsContact CD1-CG 3.5Å; L356-Y456 HydrophobicContact CD2-CD2 3.67Å; L356-Y456 HydrophobicContact CD2-CG 4.08Å; L356-Y456 HydrophobicContact CG-CD2 4.24Å; L356-Y456 HydrophobicContact CG-CG 4.42Å; L452-Y456 WeakPolarHBondContact O-CD2 3.48Å; A454-Y456 PolarHBondContact O-N 3.33Å
457	G	87.8	Confident	96.5	Very high	66 Å²	66	24.7 Å²	24.7	68%	0.68	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	4.9	174.3	0	0	0	0	0	115.3	A454	A454-G457 PolarHBondContact O-N 2.91Å
458	S	95.5	Very high	96.3	Very high	16 Å²	16	26.9 Å²	26.9	11%	0.112	15%	0.149	C	C	.	.			trans	-65.7	141.2	175.6	-56.2	0	0	0	0	111	L356 H453 T460	L356-S458 PolarHBondContact O-OG 3.21Å; H453-S458 WeakPolarHBondContact CE1-CB 3.33Å; H453-S458 WeakPolarHBondContact NE2-CB 3.21Å; S458-T460 PolarHBondContact O-N 3.11Å; S458-T460 VanDerWaalsContact O-N 3.12Å; S458-T460 PolarHBondContact O-OG1 3.24Å
459	P	97.8	Very high	95.9	Very high	37 Å²	37	26.4 Å²	26.4	24%	0.24	15%	0.145	C	C	.	.			trans	-65.8	113.5	-178	-25.7	39.1	0	0	0	112.2	D359 I360	D359-P459 HydrophobicContact CB-CB 4.46Å; D359-P459 WeakPolarHBondContact OD1-CB 3.13Å; D359-P459 WeakPolarHBondContact OD1-CD 3.48Å; D359-P459 WeakPolarHBondContact OD1-CG 3.48Å; I360-P459 PolarHBondContact N-O 2.84Å
460	T	98.6	Very high	95.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138	180	-50.5	0	0	0	0	110.5	I360 L362 A450 H453 A454 S458 K554 Y555	I360-T460 CarbonylContact O-C 3.34Å; I360-T460 VanDerWaalsContact O-CA 3.28Å; I360-T460 WeakPolarHBondContact O-CA 3.29Å; L362-T460 HydrophobicContact CD2-CG2 3.6Å; A450-T460 HydrophobicContact CB-CG2 4.22Å; H453-T460 PolarHBondContact ND1-OG1 3.39Å; A454-T460 WeakPolarHBondContact CB-OG1 3.31Å; S458-T460 PolarHBondContact O-N 3.11Å; S458-T460 VanDerWaalsContact O-N 3.12Å; S458-T460 PolarHBondContact O-OG1 3.24Å; T460-K554 WeakPolarHBondContact O-CA 3.21Å; T460-Y555 HydrophobicContact CG2-CD1 4.04Å; T460-Y555 HydrophobicContact CG2-CG 4.31Å; T460-Y555 PolarHBondContact O-N 2.79Å
461	Y	98.9	Very high	94.4	Very high	3 Å²	3	34.4 Å²	34.4	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.9	171.9	-63.4	-90.1	0	0	0	110.1	I360 M361 L362 F523 G527 P529 W552 K554	I360-Y461 PolarHBondContact O-N 3.43Å; M361-Y461 CarbonylContact C-O 3.57Å; M361-Y461 WeakPolarHBondContact CA-O 3.48Å; L362-Y461 PolarHBondContact N-O 3.31Å; Y461-F523 HydrophobicContact CD2-CD2 4.22Å; Y461-F523 AromaticContact CD2-CE2 3.88Å; Y461-F523 HydrophobicContact CD2-CE2 3.88Å; Y461-F523 HydrophobicContact CE2-CD2 4.37Å; Y461-F523 HydrophobicContact CE2-CE2 4.13Å; Y461-G527 VanDerWaalsContact CE2-O 3.27Å; Y461-G527 WeakPolarHBondContact CE2-O 3.46Å; Y461-P529 HydrophobicContact CD1-CG 3.58Å; Y461-P529 HydrophobicContact CD2-CG 4.38Å; Y461-P529 HydrophobicContact CE1-CG 3.71Å; Y461-P529 HydrophobicContact CE2-CG 4.49Å; Y461-P529 HydrophobicContact CG-CG 3.93Å; Y461-W552 AromaticContact CD1-CD1 3.97Å; Y461-W552 HydrophobicContact CD1-CG 4.24Å; Y461-K554 HydrophobicContact CD1-CG 4.38Å; Y461-K554 HydrophobicContact CE1-CB 4.38Å; Y461-K554 HydrophobicContact CE1-CG 3.58Å; Y461-K554 HydrophobicContact CE2-CG 4.37Å; Y461-K554 WeakPolarHBondContact OH-CE 3.47Å
462	F	98.9	Very high	93.5	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.5	179.6	-158.4	-85.5	0	0	0	111.3	L362 V364 A446 V447 A450 W552 Y555 Y562 L563 Y575	L362-F462 HydrophobicContact CD1-CE2 4.46Å; L362-F462 HydrophobicContact CD2-CD2 4.04Å; L362-F462 HydrophobicContact CG-CD2 3.86Å; L362-F462 HydrophobicContact CG-CE2 4.11Å; L362-F462 CarbonylContact O-C 3.55Å; L362-F462 VanDerWaalsContact O-CA 3.24Å; L362-F462 WeakPolarHBondContact O-CA 3.28Å; V364-F462 HydrophobicContact CG2-CZ 4.47Å; A446-F462 HydrophobicContact CB-CE2 4.05Å; A446-F462 HydrophobicContact CB-CZ 4.19Å; V447-F462 HydrophobicContact CG2-CE2 4.19Å; V447-F462 HydrophobicContact CG2-CZ 3.97Å; A450-F462 HydrophobicContact CB-CD2 3.81Å; A450-F462 HydrophobicContact CB-CE2 4.21Å; F462-W552 PolarHBondContact O-NE1 3.02Å; F462-Y555 HydrophobicContact CB-CD2 3.52Å; F462-Y555 HydrophobicContact CB-CE2 4.2Å; F462-Y555 HydrophobicContact CB-CG 4.05Å; F462-Y555 HydrophobicContact CG-CD2 4.2Å; F462-Y555 HydrophobicContact CG-CE2 4.42Å; F462-Y562 HydrophobicContact CD1-CG 4.41Å; F462-Y562 CarbonylContact O-C 3.54Å; F462-Y562 VanDerWaalsContact O-CA 3.25Å; F462-Y562 WeakPolarHBondContact O-CA 3.5Å; F462-Y562 WeakPolarHBondContact O-CB 3.29Å; F462-L563 PolarHBondContact O-N 2.88Å; F462-Y575 AromaticContact CE1-CD1 4Å; F462-Y575 HydrophobicContact CE1-CD1 4Å
463	Y	98.9	Very high	92.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.8	169.4	71.9	-89.4	0	0	0	112.5	Q272 M361 L362 G363 V364 F465 W520 W552 L563 I565	Q272-Y463 WeakPolarHBondContact CA-OH 3.48Å; Q272-Y463 WeakPolarHBondContact CB-OH 3.4Å; Q272-Y463 WeakPolarHBondContact CG-OH 3.37Å; M361-Y463 HydrophobicContact CG-CD1 4.41Å; L362-Y463 VanDerWaalsContact O-CD1 3.29Å; L362-Y463 WeakPolarHBondContact O-CD1 3.46Å; L362-Y463 PolarHBondContact O-N 3.07Å; G363-Y463 VanDerWaalsContact CA-CE1 3.47Å; G363-Y463 WeakPolarHBondContact CA-O 3.33Å; V364-Y463 PolarHBondContact N-O 2.87Å; Y463-F465 HydrophobicContact CD2-CB 4.2Å; Y463-F465 HydrophobicContact CE2-CB 4.09Å; Y463-W520 HydrophobicContact CD1-CH2 4.17Å; Y463-W520 AromaticContact CE1-CH2 3.98Å; Y463-W520 HydrophobicContact CE1-CH2 3.98Å; Y463-W520 AromaticContact CE1-CZ2 4Å; Y463-W520 HydrophobicContact CE1-CZ2 4Å; Y463-W552 AromaticContact CD1-CH2 3.84Å; Y463-W552 HydrophobicContact CD1-CH2 3.84Å; Y463-W552 HydrophobicContact CD1-CZ2 4.08Å; Y463-W552 HydrophobicContact CG-CH2 4.19Å; Y463-W552 HydrophobicContact CG-CZ2 4.32Å; Y463-L563 VanDerWaalsContact CA-O 3.31Å; Y463-L563 WeakPolarHBondContact CA-O 3.31Å; Y463-I565 HydrophobicContact CD2-CD1 3.92Å; Y463-I565 HydrophobicContact CG-CD1 3.85Å
464	A	98.8	Very high	91.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.7	162.8	0	0	0	0	0	109.2	V364 Y466 Y562 L563 I565 Y575	V364-A464 CarbonylContact O-C 3.56Å; V364-A464 VanDerWaalsContact O-CA 3.29Å; V364-A464 WeakPolarHBondContact O-CA 3.34Å; A464-Y466 HydrophobicContact CB-CD2 4.01Å; A464-Y466 HydrophobicContact CB-CE2 3.57Å; A464-Y562 HydrophobicContact CB-CD2 3.82Å; A464-Y562 HydrophobicContact CB-CE2 3.7Å; A464-L563 PolarHBondContact N-O 3.28Å; A464-I565 PolarHBondContact O-N 2.66Å; A464-Y575 HydrophobicContact CB-CD1 4.47Å; A464-Y575 HydrophobicContact CB-CD2 4.19Å; A464-Y575 HydrophobicContact CB-CE1 4.15Å; A464-Y575 HydrophobicContact CB-CE2 3.89Å; A464-Y575 HydrophobicContact CB-CG 4.48Å
465	F	98.8	Very high	91.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.1	-173.8	-156.9	-97.7	0	0	0	111	V364 N365 Q366 Y463 H467 S480 E485 Y488 L512 V516 I565	V364-F465 PolarHBondContact O-N 3.31Å; N365-F465 VanDerWaalsContact OD1-CB 3.23Å; N365-F465 WeakPolarHBondContact OD1-CB 3.22Å; Q366-F465 PolarHBondContact N-O 3.23Å; Y463-F465 HydrophobicContact CD2-CB 4.2Å; Y463-F465 HydrophobicContact CE2-CB 4.09Å; F465-H467 WeakPolarHBondContact CD1-O 3.42Å; F465-H467 HydrophobicContact CE1-CB 4.45Å; F465-H467 WeakPolarHBondContact CE1-O 3.44Å; F465-S480 WeakPolarHBondContact CD1-OG 3.35Å; F465-S480 WeakPolarHBondContact O-CB 3.48Å; F465-E485 HydrophobicContact CD1-CB 3.96Å; F465-E485 HydrophobicContact CD2-CB 4.07Å; F465-E485 HydrophobicContact CE1-CB 3.98Å; F465-E485 HydrophobicContact CE2-CB 4.11Å; F465-E485 HydrophobicContact CG-CB 4.01Å; F465-E485 HydrophobicContact CZ-CB 4.09Å; F465-Y488 AromaticContact CE1-CD2 3.96Å; F465-Y488 HydrophobicContact CE1-CD2 3.96Å; F465-Y488 HydrophobicContact CE1-CE2 4.16Å; F465-Y488 AromaticContact CZ-CD2 3.62Å; F465-Y488 HydrophobicContact CZ-CD2 3.62Å; F465-Y488 HydrophobicContact CZ-CE2 4.17Å; F465-Y488 AromaticContact CZ-CG 3.87Å; F465-Y488 HydrophobicContact CZ-CG 3.87Å; F465-L512 HydrophobicContact CZ-CD2 4.23Å; F465-V516 HydrophobicContact CE2-CG2 4Å; F465-I565 HydrophobicContact CD2-CB 3.84Å; F465-I565 HydrophobicContact CD2-CD1 4.37Å; F465-I565 HydrophobicContact CD2-CG2 3.56Å; F465-I565 HydrophobicContact CE2-CB 4.34Å; F465-I565 HydrophobicContact CE2-CG2 3.54Å
466	Y	97.7	Very high	91.3	Very high	33 Å²	33	46.6 Å²	46.6	13%	0.129	26%	0.261	C	S	.	.			trans	-123.3	30.3	-167.8	-86.5	-104.8	0	0	0	112	Q366 A464 H564 I565 Y575 D777	Q366-Y466 HydrophobicContact CB-CD1 4.04Å; Q366-Y466 HydrophobicContact CB-CD2 4.4Å; Q366-Y466 HydrophobicContact CB-CE1 4.17Å; Q366-Y466 HydrophobicContact CB-CE2 4.5Å; Q366-Y466 HydrophobicContact CB-CG 4.2Å; Q366-Y466 VanDerWaalsContact CD-CE1 3.48Å; Q366-Y466 HydrophobicContact CG-CD1 3.75Å; Q366-Y466 HydrophobicContact CG-CE1 3.57Å; Q366-Y466 HydrophobicContact CG-CG 4.41Å; A464-Y466 HydrophobicContact CB-CD2 4.01Å; A464-Y466 HydrophobicContact CB-CE2 3.57Å; Y466-H564 AromaticContact CD1-NE2 3.55Å; Y466-H564 AromaticContact CD2-CD2 3.65Å; Y466-H564 AromaticContact CD2-NE2 3.81Å; Y466-H564 AromaticContact CE2-CD2 3.89Å; Y466-H564 AromaticContact CG-CD2 3.74Å; Y466-H564 AromaticContact CG-CE1 3.93Å; Y466-H564 AromaticContact CG-NE2 3.36Å; Y466-I565 PolarHBondContact N-O 2.77Å; Y466-Y575 HydrophobicContact CE2-CE2 4.03Å; Y466-Y575 WeakPolarHBondContact OH-CE2 3.28Å; Y466-D777 PolarHBondContact OH-OD2 3.06Å
467	H	96.6	Very high	91.7	Very high	24 Å²	24	42.3 Å²	42.3	11%	0.111	24%	0.244	C	C	.	.			trans	-144.1	148.4	-178.2	-172.7	77.4	0	0	0	109.9	F465 S480 Y488 D509 L512	F465-H467 WeakPolarHBondContact CD1-O 3.42Å; F465-H467 HydrophobicContact CE1-CB 4.45Å; F465-H467 WeakPolarHBondContact CE1-O 3.44Å; H467-S480 PolarHBondContact O-OG 3.38Å; H467-S480 VanDerWaalsContact O-OG 3.11Å; H467-Y488 AromaticContact CD2-CE1 3.79Å; H467-Y488 AromaticContact CD2-CZ 3.58Å; H467-Y488 PolarHBondContact CD2-OH 2.9Å; H467-Y488 VanDerWaalsContact CD2-OH 3.24Å; H467-Y488 PolarHBondContact NE2-OH 3.45Å; H467-D509 IonicContact CD2-OD1 2.88Å; H467-D509 IonicContact CE1-OD1 3.37Å; H467-D509 IonicContact NE2-OD1 2.7Å; H467-D509 PolarHBondContact NE2-OD1 2.88Å; H467-L512 HydrophobicContact CB-CD2 3.59Å; H467-L512 WeakPolarHBondContact CD2-CD2 3.45Å; H467-L512 VanDerWaalsContact CG-CD2 3.45Å
468	H	94.4	Very high	91.9	Very high	51 Å²	51	39.3 Å²	39.3	24%	0.236	21%	0.213	C	C	.	.			trans	-152.7	161.5	172.1	65.5	91.7	0	0	0	108.9	K474 A478 D484	H468-K474 PolarHBondContact ND1-NZ 3.48Å; H468-A478 PolarHBondContact NE2-O 3.37Å; H468-D484 HydrophobicContact CB-CB 4.09Å; H468-D484 WeakPolarHBondContact CB-OD2 3.47Å; H468-D484 IonicContact CG-OD2 3.06Å
469	C	90.8	Very high	91.9	Very high	9 Å²	9	41.2 Å²	41.2	6%	0.061	22%	0.222	C	C	.	.			trans	-76.7	157.1	176.8	47	0	0	0	0	110.5	Y488 C503 F505	C469-Y488 WeakPolarHBondContact CA-OH 3.2Å; C469-Y488 PolarHBondContact N-OH 3.02Å; C469-C503 HydrophobicContact CB-CB 3.49Å; C469-C503 VanDerWaalsContact CB-CB 3.49Å; C469-C503 WeakPolarHBondContact CB-SG 3.46Å; C469-C503 WeakPolarHBondContact SG-CB 3.3Å; C469-C503 CovalentContact SG-SG 2.03Å; C469-C503 PolarHBondContact SG-SG 3.04Å; C469-F505 HydrophobicContact CB-CD1 3.81Å; C469-F505 HydrophobicContact CB-CE1 3.65Å
470	Q	82.3	Confident	91.8	Very high	137 Å²	137	39.5 Å²	39.5	64%	0.64	21%	0.211	S	C	*	.	B	Isolated β-bridge	trans	-76.3	128.4	170.2	-70.3	-175.1	-13.3	0	0	109.3	N504	Q470-N504 PolarHBondContact O-N 3.47Å
471	S	82.3	Confident	91.6	Very high	32 Å²	32	39.4 Å²	39.4	22%	0.224	21%	0.21	C	C	.	.			trans	-138.9	138.7	175.3	179.6	0	0	0	0	108.9	M473 K474	S471-M473 PolarHBondContact O-N 3.16Å; S471-M473 PolarHBondContact OG-N 3.34Å; S471-K474 PolarHBondContact O-N 3.48Å
472	D	79.9	Confident	91.5	Very high	177 Å²	177	39.5 Å²	39.5	95%	0.947	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.4	176.1	-64.9	-26.7	0	0	0	112.2	K474	D472-K474 VanDerWaalsContact C-N 3.28Å
473	M	77.3	Confident	91.3	Very high	100 Å²	100	39.4 Å²	39.4	49%	0.493	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-7	179.3	-55	-159	69.3	0	0	113.3	A123 S471	A123-M473 HydrophobicContact CB-CB 4.08Å; A123-M473 HydrophobicContact CB-CE 3.84Å; A123-M473 HydrophobicContact CB-SD 3.77Å; A123-M473 WeakPolarHBondContact O-CE 3.16Å; S471-M473 PolarHBondContact O-N 3.16Å; S471-M473 PolarHBondContact OG-N 3.34Å
474	K	84.1	Confident	91.2	Very high	20 Å²	20	40 Å²	40	9%	0.087	21%	0.214	C	C	.	.	S	Bend	trans	-115.6	126.4	-179.1	-168.5	175.5	179.2	-172	0	109.7	H468 S471 D472 A478 D479 D484	H468-K474 PolarHBondContact ND1-NZ 3.48Å; S471-K474 PolarHBondContact O-N 3.48Å; D472-K474 VanDerWaalsContact C-N 3.28Å; K474-A478 HydrophobicContact CD-CB 4.31Å; K474-A478 VanDerWaalsContact CE-CB 3.48Å; K474-A478 HydrophobicContact CG-CB 3.91Å; K474-D479 VanDerWaalsContact CE-O 3.24Å; K474-D479 WeakPolarHBondContact CE-O 3.24Å; K474-D479 PolarHBondContact NZ-O 3.49Å; K474-D484 IonicContact NZ-OD2 3.77Å; K474-D484 PolarHBondContact NZ-OD2 2.93Å
475	P	87.9	Confident	91.2	Very high	47 Å²	47	40 Å²	40	31%	0.305	21%	0.214	S	C	.	.			trans	-56.9	143.5	178.4	-25	33.8	0	0	0	112.3	F370 W477 A478	F370-P475 HydrophobicContact CE2-CG 3.96Å; F370-P475 VanDerWaalsContact CZ-CD 3.45Å; F370-P475 HydrophobicContact CZ-CG 3.9Å; P475-W477 HydrophobicContact CB-CD2 4.01Å; P475-W477 VanDerWaalsContact CB-CE2 3.5Å; P475-W477 HydrophobicContact CB-CG 4.04Å; P475-W477 HydrophobicContact CB-CZ2 4.06Å; P475-W477 HydrophobicContact CG-CZ2 4.04Å; P475-W477 PolarHBondContact O-N 3.23Å; P475-A478 WeakPolarHBondContact O-CB 3.23Å; P475-A478 PolarHBondContact O-N 3.49Å
476	S	87.9	Confident	91.1	Very high	103 Å²	103	40 Å²	40	72%	0.72	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.9	-175.7	73.2	0	0	0	0	114.8
477	W	90.3	Very high	91.1	Very high	30 Å²	30	38.6 Å²	38.6	11%	0.114	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-13.9	-178.4	61.9	-111.8	0	0	0	114	F370 V373 V377 D381 R430 P475	F370-W477 AromaticContact CD2-CH2 3.51Å; F370-W477 HydrophobicContact CD2-CH2 3.51Å; F370-W477 HydrophobicContact CD2-CZ2 4.42Å; F370-W477 AromaticContact CD2-CZ3 3.7Å; F370-W477 HydrophobicContact CD2-CZ3 3.7Å; F370-W477 AromaticContact CE2-CH2 3.32Å; F370-W477 HydrophobicContact CE2-CH2 3.32Å; F370-W477 AromaticContact CE2-CZ2 3.79Å; F370-W477 HydrophobicContact CE2-CZ2 3.79Å; F370-W477 AromaticContact CE2-CZ3 3.83Å; F370-W477 HydrophobicContact CE2-CZ3 3.83Å; V373-W477 HydrophobicContact CG2-CH2 3.86Å; V377-W477 HydrophobicContact CG1-CZ2 4.4Å; V377-W477 HydrophobicContact CG2-CZ2 4.22Å; D381-W477 PolarHBondContact OD1-NE1 3.41Å; R430-W477 VanDerWaalsContact CZ-CG 3.43Å; R430-W477 VanDerWaalsContact NH1-CD1 3.33Å; R430-W477 VanDerWaalsContact NH2-CE3 3.27Å; P475-W477 HydrophobicContact CB-CD2 4.01Å; P475-W477 VanDerWaalsContact CB-CE2 3.5Å; P475-W477 HydrophobicContact CB-CG 4.04Å; P475-W477 HydrophobicContact CB-CZ2 4.06Å; P475-W477 HydrophobicContact CG-CZ2 4.04Å; P475-W477 PolarHBondContact O-N 3.23Å
478	A	92.3	Very high	91.2	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.033	20%	0.203	C	C	.	.			trans	-77.8	128.3	-173	0	0	0	0	0	110.7	F370 H468 K474 P475	F370-A478 HydrophobicContact CD2-CB 3.62Å; F370-A478 HydrophobicContact CE2-CB 3.61Å; H468-A478 PolarHBondContact NE2-O 3.37Å; K474-A478 HydrophobicContact CD-CB 4.31Å; K474-A478 VanDerWaalsContact CE-CB 3.48Å; K474-A478 HydrophobicContact CG-CB 3.91Å; P475-A478 WeakPolarHBondContact O-CB 3.23Å; P475-A478 PolarHBondContact O-N 3.49Å
479	D	94.8	Very high	91.4	Very high	56 Å²	56	35 Å²	35	30%	0.299	19%	0.192	S	C	.	.			trans	-75.5	-177.7	171.3	-66.1	-51.6	0	0	0	110.8	Q366 K474 A481	Q366-D479 HydrophobicContact CB-CB 4.24Å; Q366-D479 VanDerWaalsContact CD-CG 3.47Å; Q366-D479 HydrophobicContact CG-CB 3.96Å; Q366-D479 PolarHBondContact NE2-OD1 2.8Å; Q366-D479 PolarHBondContact NE2-OD2 3.49Å; K474-D479 VanDerWaalsContact CE-O 3.24Å; K474-D479 WeakPolarHBondContact CE-O 3.24Å; K474-D479 PolarHBondContact NZ-O 3.49Å; D479-A481 PolarHBondContact O-N 3.36Å
480	S	96.4	Very high	91.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-54.8	114.7	178	-169	0	0	0	0	111.8	G367 F465 H467	G367-S480 CarbonylContact C-O 3.54Å; G367-S480 WeakPolarHBondContact CA-O 3.49Å; G367-S480 PolarHBondContact N-O 2.87Å; F465-S480 WeakPolarHBondContact CD1-OG 3.35Å; F465-S480 WeakPolarHBondContact O-CB 3.48Å; H467-S480 PolarHBondContact O-OG 3.38Å; H467-S480 VanDerWaalsContact O-OG 3.11Å
481	A	95.4	Very high	92.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.			trans	-98.7	179.7	-173.3	0	0	0	0	0	111.7	V119 N365 G367 F370 D479 G483 D484	V119-A481 HydrophobicContact CG2-CB 3.59Å; N365-A481 PolarHBondContact ND2-O 3.08Å; G367-A481 WeakPolarHBondContact O-CA 3.38Å; F370-A481 HydrophobicContact CB-CB 3.85Å; F370-A481 HydrophobicContact CD1-CB 4.46Å; F370-A481 HydrophobicContact CG-CB 4.28Å; D479-A481 PolarHBondContact O-N 3.36Å; A481-G483 PolarHBondContact O-N 3.17Å; A481-D484 PolarHBondContact N-OD2 2.74Å; A481-D484 WeakPolarHBondContact O-CB 3.44Å; A481-D484 PolarHBondContact O-N 3.41Å
482	H	96.4	Very high	93.2	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.023	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	123.9	-177.2	-166.5	53.4	0	0	0	112.8	M116 P118 V119 S273 E368 W442	M116-H482 PolarHBondContact O-CD2 3.03Å; M116-H482 PolarHBondContact O-NE2 3.46Å; P118-H482 VanDerWaalsContact CA-O 3.32Å; P118-H482 WeakPolarHBondContact CA-O 3.08Å; V119-H482 PolarHBondContact N-O 2.84Å; S273-H482 PolarHBondContact O-CE1 2.98Å; S273-H482 VanDerWaalsContact O-CE1 3.25Å; E368-H482 WeakPolarHBondContact OE2-CA 3.45Å; E368-H482 WeakPolarHBondContact OE2-CB 3.37Å; E368-H482 IonicContact OE2-CE1 3.05Å; E368-H482 IonicContact OE2-CG 2.72Å; E368-H482 IonicContact OE2-ND1 2.76Å; E368-H482 PolarHBondContact OE2-ND1 3.05Å; W442-H482 AromaticContact CE2-ND1 3.98Å; W442-H482 AromaticContact NE1-CE1 3.57Å; W442-H482 AromaticContact NE1-ND1 3.53Å
483	G	94.8	Very high	93.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	5.7	179.8	0	0	0	0	0	116.3	W120 A481 E485 V486	W120-G483 VanDerWaalsContact CD1-O 3.32Å; W120-G483 PolarHBondContact NE1-O 3.23Å; W120-G483 VanDerWaalsContact NE1-O 3.16Å; A481-G483 PolarHBondContact O-N 3.17Å; G483-E485 WeakPolarHBondContact CA-OE2 3.3Å; G483-E485 PolarHBondContact O-N 3.45Å; G483-V486 WeakPolarHBondContact O-CB 3.43Å; G483-V486 WeakPolarHBondContact O-CG2 3.41Å; G483-V486 PolarHBondContact O-N 3.42Å
484	D	96.4	Very high	94.8	Very high	13 Å²	13	14.9 Å²	14.9	7%	0.07	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.9	179	-80.7	-10.7	0	0	0	113.7	H468 K474 A481 P487 Y488	H468-D484 HydrophobicContact CB-CB 4.09Å; H468-D484 WeakPolarHBondContact CB-OD2 3.47Å; H468-D484 IonicContact CG-OD2 3.06Å; K474-D484 IonicContact NZ-OD2 3.77Å; K474-D484 PolarHBondContact NZ-OD2 2.93Å; A481-D484 PolarHBondContact N-OD2 2.74Å; A481-D484 WeakPolarHBondContact O-CB 3.44Å; A481-D484 PolarHBondContact O-N 3.41Å; D484-P487 WeakPolarHBondContact O-CD 3.41Å; D484-P487 WeakPolarHBondContact O-CG 3.46Å; D484-Y488 WeakPolarHBondContact O-CD2 3.19Å; D484-Y488 VanDerWaalsContact O-CE2 3.27Å; D484-Y488 WeakPolarHBondContact O-CE2 3.3Å
485	E	98.1	Very high	95.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-27.2	176.3	82.7	-66.9	168.1	0	0	112.6	S246 Q272 N365 F465 G483 Y488 V489	S246-E485 WeakPolarHBondContact CB-OE1 3.41Å; S246-E485 PolarHBondContact OG-OE1 3.24Å; Q272-E485 HydrophobicContact CB-CG 4.49Å; Q272-E485 WeakPolarHBondContact CB-OE1 3.28Å; Q272-E485 PolarHBondContact NE2-OE1 2.93Å; N365-E485 PolarHBondContact ND2-OE2 3.07Å; F465-E485 HydrophobicContact CD1-CB 3.96Å; F465-E485 HydrophobicContact CD2-CB 4.07Å; F465-E485 HydrophobicContact CE1-CB 3.98Å; F465-E485 HydrophobicContact CE2-CB 4.11Å; F465-E485 HydrophobicContact CG-CB 4.01Å; F465-E485 HydrophobicContact CZ-CB 4.09Å; G483-E485 WeakPolarHBondContact CA-OE2 3.3Å; G483-E485 PolarHBondContact O-N 3.45Å; E485-Y488 WeakPolarHBondContact O-CB 3.47Å; E485-Y488 PolarHBondContact O-N 2.93Å; E485-V489 WeakPolarHBondContact O-CG2 3.36Å; E485-V489 PolarHBondContact O-N 3.49Å
486	V	97.8	Very high	95.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-50.6	-52.6	-177.1	177.3	0	0	0	0	113.1	W120 I178 G483 Y488 V489 F490 F501	W120-V486 HydrophobicContact CZ2-CG1 4.36Å; I178-V486 HydrophobicContact CD1-CG1 4Å; G483-V486 WeakPolarHBondContact O-CB 3.43Å; G483-V486 WeakPolarHBondContact O-CG2 3.41Å; G483-V486 PolarHBondContact O-N 3.42Å; V486-Y488 PolarHBondContact O-N 3.48Å; V486-V489 PolarHBondContact O-N 3Å; V486-V489 VanDerWaalsContact O-N 3.17Å; V486-F490 HydrophobicContact CG1-CD2 3.81Å; V486-F490 HydrophobicContact CG1-CE2 4.1Å; V486-F490 WeakPolarHBondContact O-CD2 3.47Å; V486-F490 PolarHBondContact O-N 3.35Å; V486-F501 HydrophobicContact CG1-CE1 4.37Å; V486-F501 HydrophobicContact CG1-CZ 4.01Å
487	P	97.2	Very high	95.5	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.019	8%	0.082	C	C	.	.	H	α-helix	trans	-60.6	-29.9	179.8	22	-33.9	0	0	0	113.4	D484 G491 I492 P493 F501 F505	D484-P487 WeakPolarHBondContact O-CD 3.41Å; D484-P487 WeakPolarHBondContact O-CG 3.46Å; P487-G491 PolarHBondContact O-N 3.01Å; P487-I492 HydrophobicContact CB-CB 4.04Å; P487-I492 HydrophobicContact CB-CG1 4.05Å; P487-I492 PolarHBondContact O-N 3.5Å; P487-P493 VanDerWaalsContact O-CD 3.26Å; P487-P493 WeakPolarHBondContact O-CD 3.4Å; P487-F501 HydrophobicContact CB-CD1 3.97Å; P487-F501 HydrophobicContact CB-CE1 4.24Å; P487-F501 HydrophobicContact CB-CG 4.29Å; P487-F501 HydrophobicContact CG-CD1 4.26Å; P487-F501 HydrophobicContact CG-CE1 4.43Å; P487-F505 HydrophobicContact CB-CE1 4.4Å; P487-F505 HydrophobicContact CB-CZ 4.11Å
488	Y	98.5	Very high	95.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-75.9	-38.1	178	-60.6	-90	0	0	0	111.9	F465 H467 C469 D484 E485 V486 F490 G491 P493 D509 L512 S513	F465-Y488 AromaticContact CE1-CD2 3.96Å; F465-Y488 HydrophobicContact CE1-CD2 3.96Å; F465-Y488 HydrophobicContact CE1-CE2 4.16Å; F465-Y488 AromaticContact CZ-CD2 3.62Å; F465-Y488 HydrophobicContact CZ-CD2 3.62Å; F465-Y488 HydrophobicContact CZ-CE2 4.17Å; F465-Y488 AromaticContact CZ-CG 3.87Å; F465-Y488 HydrophobicContact CZ-CG 3.87Å; H467-Y488 AromaticContact CD2-CE1 3.79Å; H467-Y488 AromaticContact CD2-CZ 3.58Å; H467-Y488 PolarHBondContact CD2-OH 2.9Å; H467-Y488 VanDerWaalsContact CD2-OH 3.24Å; H467-Y488 PolarHBondContact NE2-OH 3.45Å; C469-Y488 WeakPolarHBondContact CA-OH 3.2Å; C469-Y488 PolarHBondContact N-OH 3.02Å; D484-Y488 WeakPolarHBondContact O-CD2 3.19Å; D484-Y488 VanDerWaalsContact O-CE2 3.27Å; D484-Y488 WeakPolarHBondContact O-CE2 3.3Å; E485-Y488 WeakPolarHBondContact O-CB 3.47Å; E485-Y488 PolarHBondContact O-N 2.93Å; V486-Y488 PolarHBondContact O-N 3.48Å; Y488-F490 VanDerWaalsContact C-N 3.32Å; Y488-G491 PolarHBondContact O-N 3.5Å; Y488-P493 HydrophobicContact CD1-CG 4.24Å; Y488-P493 HydrophobicContact CE1-CG 4.35Å; Y488-D509 HydrophobicContact CE1-CB 3.9Å; Y488-D509 PolarHBondContact OH-OD1 3.09Å; Y488-L512 HydrophobicContact CD1-CB 4.26Å; Y488-L512 HydrophobicContact CD1-CD2 4.08Å; Y488-L512 HydrophobicContact CD1-CG 4.19Å; Y488-L512 HydrophobicContact CE1-CB 4.44Å; Y488-L512 HydrophobicContact CE1-CD2 4.02Å; Y488-S513 PolarHBondContact O-OG 3.38Å
489	V	98.7	Very high	95.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-36.8	175.4	174.8	0	0	0	0	111.4	F244 E485 V486 V516 M517 W520	F244-V489 HydrophobicContact CD2-CG1 4.5Å; F244-V489 HydrophobicContact CE2-CG1 3.97Å; E485-V489 WeakPolarHBondContact O-CG2 3.36Å; E485-V489 PolarHBondContact O-N 3.49Å; V486-V489 PolarHBondContact O-N 3Å; V486-V489 VanDerWaalsContact O-N 3.17Å; V489-V516 HydrophobicContact CB-CG1 4.36Å; V489-V516 HydrophobicContact CG2-CG1 3.65Å; V489-M517 VanDerWaalsContact O-CG 3.29Å; V489-M517 WeakPolarHBondContact O-CG 3.49Å; V489-W520 HydrophobicContact CG1-CG 4.42Å; V489-W520 HydrophobicContact CG2-CD2 4.43Å; V489-W520 HydrophobicContact CG2-CZ2 3.98Å
490	F	98.4	Very high	95.3	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.9	-179.2	-71.9	-74.3	0	0	0	114.7	Y164 I178 L183 F244 V486 Y488 I492	Y164-F490 HydrophobicContact CD1-CZ 4.12Å; Y164-F490 HydrophobicContact CD2-CE2 4.12Å; Y164-F490 AromaticContact CD2-CZ 3.58Å; Y164-F490 HydrophobicContact CD2-CZ 3.58Å; Y164-F490 HydrophobicContact CE1-CE2 4.45Å; Y164-F490 HydrophobicContact CE1-CZ 4.35Å; Y164-F490 AromaticContact CE2-CE2 3.83Å; Y164-F490 HydrophobicContact CE2-CE2 3.83Å; Y164-F490 AromaticContact CE2-CZ 3.8Å; Y164-F490 HydrophobicContact CE2-CZ 3.8Å; Y164-F490 HydrophobicContact CG-CE2 4.49Å; Y164-F490 AromaticContact CG-CZ 3.72Å; Y164-F490 HydrophobicContact CG-CZ 3.72Å; I178-F490 HydrophobicContact CG2-CD1 3.39Å; I178-F490 HydrophobicContact CG2-CD2 3.68Å; I178-F490 HydrophobicContact CG2-CE1 3.24Å; I178-F490 HydrophobicContact CG2-CE2 3.54Å; I178-F490 HydrophobicContact CG2-CG 3.62Å; I178-F490 HydrophobicContact CG2-CZ 3.33Å; L183-F490 HydrophobicContact CB-CD1 4.49Å; L183-F490 HydrophobicContact CD2-CD1 4.17Å; L183-F490 HydrophobicContact CD2-CE1 4.06Å; F244-F490 HydrophobicContact CE2-CE1 4.08Å; F244-F490 HydrophobicContact CE2-CE2 4.19Å; F244-F490 AromaticContact CE2-CZ 3.48Å; F244-F490 HydrophobicContact CE2-CZ 3.48Å; F244-F490 VanDerWaalsContact CE2-CZ 3.48Å; F244-F490 AromaticContact CZ-CE1 3.82Å; F244-F490 HydrophobicContact CZ-CE1 3.82Å; F244-F490 AromaticContact CZ-CZ 3.58Å; F244-F490 HydrophobicContact CZ-CZ 3.58Å; V486-F490 HydrophobicContact CG1-CD2 3.81Å; V486-F490 HydrophobicContact CG1-CE2 4.1Å; V486-F490 WeakPolarHBondContact O-CD2 3.47Å; V486-F490 PolarHBondContact O-N 3.35Å; Y488-F490 VanDerWaalsContact C-N 3.32Å; F490-I492 VanDerWaalsContact C-N 3.28Å; F490-I492 HydrophobicContact CB-CD1 4.36Å; F490-I492 HydrophobicContact CB-CG1 4.38Å; F490-I492 PolarHBondContact O-N 3.4Å
491	G	97.4	Very high	95	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	11.3	172.2	0	0	0	0	0	115.2	I182 P487 Y488 P493 M494 S513 M517	I182-G491 WeakPolarHBondContact CD1-O 3.21Å; P487-G491 PolarHBondContact O-N 3.01Å; Y488-G491 PolarHBondContact O-N 3.5Å; G491-P493 VanDerWaalsContact C-CD 3.41Å; G491-P493 VanDerWaalsContact C-N 3.31Å; G491-M494 VanDerWaalsContact O-CB 3.26Å; G491-M494 WeakPolarHBondContact O-CB 3.48Å; G491-M494 WeakPolarHBondContact O-CG 3.4Å; G491-M494 PolarHBondContact O-N 3.46Å; G491-S513 VanDerWaalsContact CA-OG 3.26Å; G491-S513 WeakPolarHBondContact CA-OG 3.45Å; G491-M517 VanDerWaalsContact CA-SD 3.59Å
492	I	96.6	Very high	94.6	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.051	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-52.8	-41.3	-175.7	-53.5	-57.5	0	0	0	112.9	P487 F490 M494 I495 G496 T498 F501 F505	P487-I492 HydrophobicContact CB-CB 4.04Å; P487-I492 HydrophobicContact CB-CG1 4.05Å; P487-I492 PolarHBondContact O-N 3.5Å; F490-I492 VanDerWaalsContact C-N 3.28Å; F490-I492 HydrophobicContact CB-CD1 4.36Å; F490-I492 HydrophobicContact CB-CG1 4.38Å; F490-I492 PolarHBondContact O-N 3.4Å; I492-M494 PolarHBondContact O-N 3.04Å; I492-I495 WeakPolarHBondContact O-CG1 3.33Å; I492-I495 PolarHBondContact O-N 3Å; I492-G496 PolarHBondContact O-N 3.36Å; I492-G496 VanDerWaalsContact O-N 3.16Å; I492-T498 HydrophobicContact CG2-CG2 4.05Å; I492-F501 HydrophobicContact CD1-CD2 4.08Å; I492-F501 HydrophobicContact CD1-CE2 4.21Å; I492-F501 HydrophobicContact CG1-CD2 3.81Å; I492-F501 HydrophobicContact CG1-CE2 4.05Å; I492-F501 HydrophobicContact CG1-CG 4.42Å; I492-F501 HydrophobicContact CG2-CB 3.95Å; I492-F501 HydrophobicContact CG2-CD2 4.16Å; I492-F501 HydrophobicContact CG2-CG 4.32Å; I492-F505 HydrophobicContact CB-CE2 4.46Å; I492-F505 HydrophobicContact CB-CZ 4.39Å; I492-F505 HydrophobicContact CG2-CE2 3.66Å; I492-F505 HydrophobicContact CG2-CZ 3.95Å
493	P	96.1	Very high	94.1	Very high	6 Å²	6	24 Å²	24	4%	0.039	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-53.6	-25.3	175.6	-29.6	37.6	0	0	0	114.9	P487 Y488 G491 I495 F505 D509 V510	P487-P493 VanDerWaalsContact O-CD 3.26Å; P487-P493 WeakPolarHBondContact O-CD 3.4Å; Y488-P493 HydrophobicContact CD1-CG 4.24Å; Y488-P493 HydrophobicContact CE1-CG 4.35Å; G491-P493 VanDerWaalsContact C-CD 3.41Å; G491-P493 VanDerWaalsContact C-N 3.31Å; P493-I495 VanDerWaalsContact C-N 3.32Å; P493-I495 PolarHBondContact O-N 3.02Å; P493-F505 HydrophobicContact CB-CB 4.11Å; P493-F505 HydrophobicContact CB-CD1 4.03Å; P493-F505 HydrophobicContact CB-CG 3.99Å; P493-F505 HydrophobicContact CG-CD1 3.62Å; P493-F505 HydrophobicContact CG-CE1 3.78Å; P493-F505 HydrophobicContact CG-CG 4.04Å; P493-F505 HydrophobicContact CG-CZ 4.35Å; P493-D509 HydrophobicContact CB-CB 4.13Å; P493-D509 HydrophobicContact CG-CB 4.21Å; P493-V510 HydrophobicContact CB-CG2 4.16Å; P493-V510 WeakPolarHBondContact O-CG2 3.5Å
494	M	94.4	Very high	93.8	Very high	14 Å²	14	29.6 Å²	29.6	7%	0.069	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-74.1	-18.1	-178.7	-59.7	-169.4	171.8	0	0	114.6	N57 L60 I182 Y186 G491 I492 V510 A514 M517 I540	N57-M494 PolarHBondContact ND2-O 2.91Å; L60-M494 HydrophobicContact CD1-SD 4.34Å; I182-M494 HydrophobicContact CG2-CB 4.43Å; I182-M494 HydrophobicContact CG2-SD 3.93Å; Y186-M494 HydrophobicContact CD2-CE 3.77Å; Y186-M494 HydrophobicContact CD2-SD 4.17Å; Y186-M494 HydrophobicContact CE2-CE 3.83Å; Y186-M494 HydrophobicContact CG-CE 4.5Å; G491-M494 VanDerWaalsContact O-CB 3.26Å; G491-M494 WeakPolarHBondContact O-CB 3.48Å; G491-M494 WeakPolarHBondContact O-CG 3.4Å; G491-M494 PolarHBondContact O-N 3.46Å; I492-M494 PolarHBondContact O-N 3.04Å; M494-V510 HydrophobicContact CG-CG1 4.35Å; M494-A514 HydrophobicContact CE-CB 3.6Å; M494-M517 HydrophobicContact CE-CE 3.15Å; M494-M517 HydrophobicContact SD-CE 3.55Å; M494-M517 VanDerWaalsContact SD-CE 3.55Å; M494-I540 HydrophobicContact CE-CG1 3.9Å; M494-I540 HydrophobicContact SD-CD1 4.11Å; M494-I540 HydrophobicContact SD-CG1 4.06Å
495	I	93.1	Very high	93.7	Very high	65 Å²	65	30.1 Å²	30.1	33%	0.333	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-12.6	174.9	57.8	165.2	0	0	0	112.5	P56 I182 I492 P493 T498	P56-I495 HydrophobicContact CB-CG2 4.41Å; P56-I495 HydrophobicContact CG-CG2 4.17Å; I182-I495 HydrophobicContact CD1-CB 4.23Å; I182-I495 HydrophobicContact CD1-CD1 3.86Å; I182-I495 HydrophobicContact CD1-CG1 3.72Å; I182-I495 HydrophobicContact CD1-CG2 3.56Å; I182-I495 HydrophobicContact CG1-CG2 4.29Å; I492-I495 WeakPolarHBondContact O-CG1 3.33Å; I492-I495 PolarHBondContact O-N 3Å; P493-I495 VanDerWaalsContact C-N 3.32Å; P493-I495 PolarHBondContact O-N 3.02Å; I495-T498 HydrophobicContact CD1-CG2 3.75Å; I495-T498 HydrophobicContact CG1-CG2 4.4Å
496	G	91.4	Very high	93.5	Very high	16 Å²	16	32.5 Å²	32.5	17%	0.165	19%	0.186	C	C	.	.			trans	94.6	-169.7	-179.4	0	0	0	0	0	113.1	I492	I492-G496 PolarHBondContact O-N 3.36Å; I492-G496 VanDerWaalsContact O-N 3.16Å
497	P	91.7	Very high	93.4	Very high	78 Å²	78	38.8 Å²	38.8	51%	0.506	21%	0.213	S	C	.	.			trans	-59	138.9	178.7	-15.8	26.7	0	0	0	111.1	C503	P497-C503 WeakPolarHBondContact CB-O 3.35Å; P497-C503 WeakPolarHBondContact CG-O 3.26Å
498	T	91.9	Very high	93.3	Very high	41 Å²	41	40.5 Å²	40.5	25%	0.252	22%	0.223	S	C	.	.			trans	-119.7	167.7	173.2	70.2	0	0	0	0	109.8	I492 I495 L500 F501 N502	I492-T498 HydrophobicContact CG2-CG2 4.05Å; I495-T498 HydrophobicContact CD1-CG2 3.75Å; I495-T498 HydrophobicContact CG1-CG2 4.4Å; T498-L500 PolarHBondContact O-N 3.41Å; T498-F501 PolarHBondContact N-O 3.44Å; T498-F501 VanDerWaalsContact N-O 3.15Å; T498-F501 CarbonylContact O-C 3.54Å; T498-F501 PolarHBondContact O-N 3.49Å; T498-F501 PolarHBondContact OG1-N 3.38Å; T498-F501 VanDerWaalsContact OG1-N 3.07Å; T498-N502 PolarHBondContact O-N 2.87Å
499	D	89.3	Confident	93.2	Very high	131 Å²	131	40.8 Å²	40.8	70%	0.701	22%	0.224	S	C	*	.	S	Bend	trans	-59.5	-34.8	178.7	-60.8	-30	0	0	0	112.3	T127	T127-D499 HydrophobicContact CG2-CB 3.8Å; T127-D499 PolarHBondContact OG1-O 2.99Å
500	L	90.7	Very high	93.1	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	23%	0.23	C	C	.	.	S	Bend	trans	-80.8	-40.5	178.5	-173.5	64.5	0	0	0	112	W120 N124 T127 V128 M177 T498	W120-L500 HydrophobicContact CE3-CD1 4.08Å; W120-L500 HydrophobicContact CE3-CD2 4.43Å; W120-L500 HydrophobicContact CE3-CG 4.12Å; W120-L500 HydrophobicContact CZ3-CD1 4.04Å; W120-L500 HydrophobicContact CZ3-CD2 4.05Å; W120-L500 HydrophobicContact CZ3-CG 4.18Å; N124-L500 PolarHBondContact ND2-O 3.05Å; T127-L500 HydrophobicContact CG2-CB 4.44Å; T127-L500 HydrophobicContact CG2-CD1 4.49Å; V128-L500 HydrophobicContact CG2-CD1 3.75Å; M177-L500 HydrophobicContact CB-CD2 3.97Å; M177-L500 HydrophobicContact CG-CD2 4.49Å; M177-L500 WeakPolarHBondContact O-CD2 3.36Å; T498-L500 PolarHBondContact O-N 3.41Å
501	F	91.3	Very high	93.1	Very high	11 Å²	11	41.7 Å²	41.7	5%	0.048	23%	0.229	C	C	.	.	S	Bend	trans	-110.8	73.7	179.1	-61.5	-73.7	0	0	0	109.6	W120 I178 V486 P487 I492 T498 C503 F505	W120-F501 HydrophobicContact CB-CD1 4.14Å; W120-F501 HydrophobicContact CB-CE1 4.19Å; W120-F501 AromaticContact CD1-CE1 3.89Å; W120-F501 HydrophobicContact CD2-CD1 4.35Å; W120-F501 AromaticContact CD2-CE1 3.58Å; W120-F501 HydrophobicContact CD2-CE1 3.58Å; W120-F501 HydrophobicContact CD2-CZ 4.2Å; W120-F501 AromaticContact CE2-CE1 3.87Å; W120-F501 HydrophobicContact CE3-CE1 4.02Å; W120-F501 HydrophobicContact CE3-CZ 4.34Å; W120-F501 HydrophobicContact CG-CD1 4.08Å; W120-F501 AromaticContact CG-CE1 3.64Å; W120-F501 HydrophobicContact CG-CE1 3.64Å; W120-F501 AromaticContact NE1-CE1 3.99Å; I178-F501 HydrophobicContact CD1-CZ 4.2Å; V486-F501 HydrophobicContact CG1-CE1 4.37Å; V486-F501 HydrophobicContact CG1-CZ 4.01Å; P487-F501 HydrophobicContact CB-CD1 3.97Å; P487-F501 HydrophobicContact CB-CE1 4.24Å; P487-F501 HydrophobicContact CB-CG 4.29Å; P487-F501 HydrophobicContact CG-CD1 4.26Å; P487-F501 HydrophobicContact CG-CE1 4.43Å; I492-F501 HydrophobicContact CD1-CD2 4.08Å; I492-F501 HydrophobicContact CD1-CE2 4.21Å; I492-F501 HydrophobicContact CG1-CD2 3.81Å; I492-F501 HydrophobicContact CG1-CE2 4.05Å; I492-F501 HydrophobicContact CG1-CG 4.42Å; I492-F501 HydrophobicContact CG2-CB 3.95Å; I492-F501 HydrophobicContact CG2-CD2 4.16Å; I492-F501 HydrophobicContact CG2-CG 4.32Å; T498-F501 PolarHBondContact N-O 3.44Å; T498-F501 VanDerWaalsContact N-O 3.15Å; T498-F501 CarbonylContact O-C 3.54Å; T498-F501 PolarHBondContact O-N 3.49Å; T498-F501 PolarHBondContact OG1-N 3.38Å; T498-F501 VanDerWaalsContact OG1-N 3.07Å; F501-C503 PolarHBondContact O-N 3.01Å; F501-F505 HydrophobicContact CB-CZ 4.46Å
502	N	85.7	Confident	93.1	Very high	97 Å²	97	41.7 Å²	41.7	52%	0.519	23%	0.229	S	C	.	.			trans	-78.1	66.5	178.7	-169.2	15.6	0	0	0	111.3	T498	T498-N502 PolarHBondContact O-N 2.87Å
503	C	86.3	Confident	93.1	Very high	15 Å²	15	41.2 Å²	41.2	10%	0.101	23%	0.227	C	C	.	.			trans	-117.6	137.3	-179.5	-105	0	0	0	0	110.2	C469 P497 F501 F505	C469-C503 HydrophobicContact CB-CB 3.49Å; C469-C503 VanDerWaalsContact CB-CB 3.49Å; C469-C503 WeakPolarHBondContact CB-SG 3.46Å; C469-C503 WeakPolarHBondContact SG-CB 3.3Å; C469-C503 CovalentContact SG-SG 2.03Å; C469-C503 PolarHBondContact SG-SG 3.04Å; P497-C503 WeakPolarHBondContact CB-O 3.35Å; P497-C503 WeakPolarHBondContact CG-O 3.26Å; F501-C503 PolarHBondContact O-N 3.01Å; C503-F505 HydrophobicContact CB-CD1 4.24Å; C503-F505 HydrophobicContact CB-CD2 4.4Å; C503-F505 HydrophobicContact CB-CE1 3.71Å; C503-F505 HydrophobicContact CB-CE2 3.88Å; C503-F505 HydrophobicContact CB-CZ 3.52Å; C503-F505 WeakPolarHBondContact O-CD2 3.48Å; C503-F505 PolarHBondContact O-N 3.05Å
504	N	88.8	Confident	93.2	Very high	118 Å²	118	40.9 Å²	40.9	63%	0.631	23%	0.225	S	C	*	.	B	Isolated β-bridge	trans	-81.5	91.3	174.8	-168.3	4.6	0	0	0	110.1	Q470 S506	Q470-N504 PolarHBondContact O-N 3.47Å; N504-S506 PolarHBondContact O-N 2.8Å
505	F	93.9	Very high	93.4	Very high	23 Å²	23	40.2 Å²	40.2	10%	0.101	22%	0.222	C	C	.	.			trans	-75.2	120.5	-178.1	-61.5	-66.1	0	0	0	112	C469 P487 I492 P493 F501 C503 D509	C469-F505 HydrophobicContact CB-CD1 3.81Å; C469-F505 HydrophobicContact CB-CE1 3.65Å; P487-F505 HydrophobicContact CB-CE1 4.4Å; P487-F505 HydrophobicContact CB-CZ 4.11Å; I492-F505 HydrophobicContact CB-CE2 4.46Å; I492-F505 HydrophobicContact CB-CZ 4.39Å; I492-F505 HydrophobicContact CG2-CE2 3.66Å; I492-F505 HydrophobicContact CG2-CZ 3.95Å; P493-F505 HydrophobicContact CB-CB 4.11Å; P493-F505 HydrophobicContact CB-CD1 4.03Å; P493-F505 HydrophobicContact CB-CG 3.99Å; P493-F505 HydrophobicContact CG-CD1 3.62Å; P493-F505 HydrophobicContact CG-CE1 3.78Å; P493-F505 HydrophobicContact CG-CG 4.04Å; P493-F505 HydrophobicContact CG-CZ 4.35Å; F501-F505 HydrophobicContact CB-CZ 4.46Å; C503-F505 HydrophobicContact CB-CD1 4.24Å; C503-F505 HydrophobicContact CB-CD2 4.4Å; C503-F505 HydrophobicContact CB-CE1 3.71Å; C503-F505 HydrophobicContact CB-CE2 3.88Å; C503-F505 HydrophobicContact CB-CZ 3.52Å; C503-F505 WeakPolarHBondContact O-CD2 3.48Å; C503-F505 PolarHBondContact O-N 3.05Å; F505-D509 HydrophobicContact CB-CB 4.13Å; F505-D509 HydrophobicContact CD1-CB 3.95Å
506	S	94.8	Very high	93.7	Very high	50 Å²	50	37.1 Å²	37.1	35%	0.35	21%	0.206	S	C	.	.			trans	-80.7	168.5	170.6	80.2	0	0	0	0	111.8	N504 N508 D509 V510	N504-S506 PolarHBondContact O-N 2.8Å; S506-N508 PolarHBondContact O-N 3.07Å; S506-N508 PolarHBondContact OG-N 2.86Å; S506-D509 VanDerWaalsContact CA-OD2 3.32Å; S506-D509 WeakPolarHBondContact CA-OD2 3.27Å; S506-D509 WeakPolarHBondContact CB-OD2 3.44Å; S506-D509 PolarHBondContact N-OD2 3.42Å; S506-D509 WeakPolarHBondContact O-CA 3.35Å; S506-D509 VanDerWaalsContact O-CB 3.3Å; S506-D509 WeakPolarHBondContact O-CB 3.4Å; S506-D509 PolarHBondContact O-N 3.29Å; S506-D509 PolarHBondContact OG-N 2.91Å; S506-D509 PolarHBondContact OG-OD2 3.1Å; S506-V510 PolarHBondContact O-N 3.36Å
507	K	94.8	Very high	94	Very high	132 Å²	132	36.4 Å²	36.4	57%	0.574	20%	0.198	S	C	*	.	H	α-helix	trans	-60.4	-25.3	171.6	-63.4	-173.8	178.3	-175.7	0	113.6	D509 M511 T542 K543	K507-D509 VanDerWaalsContact C-N 3.31Å; K507-M511 PolarHBondContact O-N 2.85Å; K507-T542 WeakPolarHBondContact CB-OG1 3.44Å; K507-T542 PolarHBondContact O-OG1 3.4Å; K507-K543 HydrophobicContact CB-CG 3.75Å
508	N	95.9	Very high	94.3	Very high	40 Å²	40	32.9 Å²	32.9	21%	0.214	18%	0.175	C	C	.	.	H	α-helix	trans	-71.6	-31.2	174	-67.1	-43.8	0	0	0	111.1	S506 M511 L512 R546 L567	S506-N508 PolarHBondContact O-N 3.07Å; S506-N508 PolarHBondContact OG-N 2.86Å; N508-M511 PolarHBondContact O-N 2.81Å; N508-L512 WeakPolarHBondContact O-CB 3.47Å; N508-L512 PolarHBondContact O-N 3.07Å; N508-R546 PolarHBondContact OD1-NH2 2.76Å; N508-L567 HydrophobicContact CB-CD1 4.35Å; N508-L567 HydrophobicContact CB-CD2 3.79Å
509	D	96.9	Very high	94.7	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.032	16%	0.163	C	C	.	.	H	α-helix	trans	-69.7	-40.2	176.7	-57.6	-62.8	0	0	0	111.1	H467 Y488 P493 F505 S506 K507 L512 S513	H467-D509 IonicContact CD2-OD1 2.88Å; H467-D509 IonicContact CE1-OD1 3.37Å; H467-D509 IonicContact NE2-OD1 2.7Å; H467-D509 PolarHBondContact NE2-OD1 2.88Å; Y488-D509 HydrophobicContact CE1-CB 3.9Å; Y488-D509 PolarHBondContact OH-OD1 3.09Å; P493-D509 HydrophobicContact CB-CB 4.13Å; P493-D509 HydrophobicContact CG-CB 4.21Å; F505-D509 HydrophobicContact CB-CB 4.13Å; F505-D509 HydrophobicContact CD1-CB 3.95Å; S506-D509 VanDerWaalsContact CA-OD2 3.32Å; S506-D509 WeakPolarHBondContact CA-OD2 3.27Å; S506-D509 WeakPolarHBondContact CB-OD2 3.44Å; S506-D509 PolarHBondContact N-OD2 3.42Å; S506-D509 WeakPolarHBondContact O-CA 3.35Å; S506-D509 VanDerWaalsContact O-CB 3.3Å; S506-D509 WeakPolarHBondContact O-CB 3.4Å; S506-D509 PolarHBondContact O-N 3.29Å; S506-D509 PolarHBondContact OG-N 2.91Å; S506-D509 PolarHBondContact OG-OD2 3.1Å; K507-D509 VanDerWaalsContact C-N 3.31Å; D509-L512 PolarHBondContact O-N 3.05Å; D509-S513 VanDerWaalsContact O-CB 3.29Å; D509-S513 WeakPolarHBondContact O-CB 3.39Å; D509-S513 PolarHBondContact O-N 2.64Å
510	V	96.6	Very high	95.1	Very high	19 Å²	19	24.7 Å²	24.7	12%	0.115	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-48.5	172.1	-176.1	0	0	0	0	111.1	P493 M494 S506 S513 A514 I540 T542	P493-V510 HydrophobicContact CB-CG2 4.16Å; P493-V510 WeakPolarHBondContact O-CG2 3.5Å; M494-V510 HydrophobicContact CG-CG1 4.35Å; S506-V510 PolarHBondContact O-N 3.36Å; V510-S513 PolarHBondContact O-N 3.06Å; V510-A514 PolarHBondContact O-N 3.45Å; V510-I540 WeakPolarHBondContact CG1-O 3.48Å; V510-T542 HydrophobicContact CB-CG2 4.48Å; V510-T542 HydrophobicContact CG1-CG2 3.88Å
511	M	96.8	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.7	-47.4	176.8	179.7	-81.4	-59.1	0	0	111.7	K507 N508 S513 A514 V515 H541 K543 R546 L567	K507-M511 PolarHBondContact O-N 2.85Å; N508-M511 PolarHBondContact O-N 2.81Å; M511-S513 VanDerWaalsContact C-N 3.34Å; M511-S513 PolarHBondContact O-N 2.66Å; M511-A514 PolarHBondContact O-N 2.87Å; M511-V515 WeakPolarHBondContact O-CG2 3.24Å; M511-V515 PolarHBondContact O-N 3.47Å; M511-V515 HydrophobicContact SD-CG2 3.84Å; M511-H541 HydrophobicContact CB-CB 4.4Å; M511-H541 HydrophobicContact CG-CB 4.3Å; M511-H541 PolarHBondContact N-O 3.26Å; M511-K543 HydrophobicContact CB-CB 4.15Å; M511-K543 HydrophobicContact CG-CB 4.41Å; M511-R546 HydrophobicContact CE-CB 4.48Å; M511-R546 HydrophobicContact CE-CG 4.03Å; M511-L567 HydrophobicContact CE-CD2 4.34Å
512	L	97.7	Very high	95.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65	-39.2	-179.2	-175.3	64.3	0	0	0	111.9	F465 H467 Y488 N508 D509 V515 V516 F547 I565	F465-L512 HydrophobicContact CZ-CD2 4.23Å; H467-L512 HydrophobicContact CB-CD2 3.59Å; H467-L512 WeakPolarHBondContact CD2-CD2 3.45Å; H467-L512 VanDerWaalsContact CG-CD2 3.45Å; Y488-L512 HydrophobicContact CD1-CB 4.26Å; Y488-L512 HydrophobicContact CD1-CD2 4.08Å; Y488-L512 HydrophobicContact CD1-CG 4.19Å; Y488-L512 HydrophobicContact CE1-CB 4.44Å; Y488-L512 HydrophobicContact CE1-CD2 4.02Å; N508-L512 WeakPolarHBondContact O-CB 3.47Å; N508-L512 PolarHBondContact O-N 3.07Å; D509-L512 PolarHBondContact O-N 3.05Å; L512-V515 WeakPolarHBondContact O-CB 3.5Å; L512-V515 PolarHBondContact O-N 3.44Å; L512-V516 HydrophobicContact CD1-CG2 4.46Å; L512-V516 HydrophobicContact CG-CG2 4.39Å; L512-V516 WeakPolarHBondContact O-CB 3.46Å; L512-V516 VanDerWaalsContact O-CG2 3.27Å; L512-V516 WeakPolarHBondContact O-CG2 3.31Å; L512-V516 PolarHBondContact O-N 2.93Å; L512-F547 HydrophobicContact CD1-CE2 3.81Å; L512-F547 HydrophobicContact CD1-CZ 3.78Å; L512-I565 HydrophobicContact CD1-CG2 3.88Å
513	S	98.2	Very high	96.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-41.8	176.3	179.4	0	0	0	0	112.1	Y488 G491 D509 V510 M511 V515 V516 M517	Y488-S513 PolarHBondContact O-OG 3.38Å; G491-S513 VanDerWaalsContact CA-OG 3.26Å; G491-S513 WeakPolarHBondContact CA-OG 3.45Å; D509-S513 VanDerWaalsContact O-CB 3.29Å; D509-S513 WeakPolarHBondContact O-CB 3.39Å; D509-S513 PolarHBondContact O-N 2.64Å; V510-S513 PolarHBondContact O-N 3.06Å; M511-S513 VanDerWaalsContact C-N 3.34Å; M511-S513 PolarHBondContact O-N 2.66Å; S513-V515 VanDerWaalsContact C-N 3.32Å; S513-V515 PolarHBondContact O-N 3.01Å; S513-V516 PolarHBondContact O-N 2.88Å; S513-M517 WeakPolarHBondContact O-CB 3.24Å; S513-M517 WeakPolarHBondContact O-CG 3.44Å; S513-M517 PolarHBondContact O-N 3.48Å
514	A	97.9	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.1	-42.8	172.3	0	0	0	0	0	112	Y186 M494 V510 M511 T518 H541	Y186-A514 HydrophobicContact CE2-CB 4.11Å; Y186-A514 PolarHBondContact OH-O 2.77Å; Y186-A514 VanDerWaalsContact OH-O 3.09Å; M494-A514 HydrophobicContact CE-CB 3.6Å; V510-A514 PolarHBondContact O-N 3.45Å; M511-A514 PolarHBondContact O-N 2.87Å; A514-T518 WeakPolarHBondContact O-CB 3.44Å; A514-T518 PolarHBondContact O-N 3.14Å; A514-T518 PolarHBondContact O-OG1 3.19Å; A514-H541 VanDerWaalsContact CB-CD2 3.48Å; A514-H541 WeakPolarHBondContact CB-CD2 3.03Å
515	V	98.1	Very high	97.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-50.2	176.1	167.3	0	0	0	0	111.5	M511 L512 S513 T518 Y519 Q535 N545 F547	M511-V515 WeakPolarHBondContact O-CG2 3.24Å; M511-V515 PolarHBondContact O-N 3.47Å; M511-V515 HydrophobicContact SD-CG2 3.84Å; L512-V515 WeakPolarHBondContact O-CB 3.5Å; L512-V515 PolarHBondContact O-N 3.44Å; S513-V515 VanDerWaalsContact C-N 3.32Å; S513-V515 PolarHBondContact O-N 3.01Å; V515-T518 WeakPolarHBondContact O-CB 3.16Å; V515-T518 PolarHBondContact O-N 2.76Å; V515-Y519 HydrophobicContact CG1-CD2 3.77Å; V515-Y519 HydrophobicContact CG1-CE2 3.5Å; V515-Y519 VanDerWaalsContact CG1-CE2 3.5Å; V515-Y519 WeakPolarHBondContact O-CD2 3.18Å; V515-Y519 PolarHBondContact O-N 3.45Å; V515-Q535 PolarHBondContact O-NE2 3.02Å; V515-Q535 VanDerWaalsContact O-NE2 3.09Å; V515-N545 WeakPolarHBondContact CG2-OD1 3.33Å; V515-F547 HydrophobicContact CB-CD2 4.19Å; V515-F547 HydrophobicContact CB-CE2 4.36Å; V515-F547 HydrophobicContact CG1-CB 4.1Å; V515-F547 HydrophobicContact CG1-CD1 3.73Å; V515-F547 HydrophobicContact CG1-CD2 3.6Å; V515-F547 HydrophobicContact CG1-CE1 3.87Å; V515-F547 HydrophobicContact CG1-CE2 3.78Å; V515-F547 HydrophobicContact CG1-CG 3.56Å; V515-F547 HydrophobicContact CG1-CZ 3.88Å; V515-F547 HydrophobicContact CG2-CB 4.35Å; V515-F547 HydrophobicContact CG2-CD2 3.7Å; V515-F547 HydrophobicContact CG2-CE2 4.21Å; V515-F547 HydrophobicContact CG2-CG 4.2Å
516	V	98.6	Very high	97.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.7	-51.4	-179.4	168.3	0	0	0	0	110.1	F465 V489 L512 S513 T518 Y519 W520 I565	F465-V516 HydrophobicContact CE2-CG2 4Å; V489-V516 HydrophobicContact CB-CG1 4.36Å; V489-V516 HydrophobicContact CG2-CG1 3.65Å; L512-V516 HydrophobicContact CD1-CG2 4.46Å; L512-V516 HydrophobicContact CG-CG2 4.39Å; L512-V516 WeakPolarHBondContact O-CB 3.46Å; L512-V516 VanDerWaalsContact O-CG2 3.27Å; L512-V516 WeakPolarHBondContact O-CG2 3.31Å; L512-V516 PolarHBondContact O-N 2.93Å; S513-V516 PolarHBondContact O-N 2.88Å; V516-T518 PolarHBondContact O-N 3.22Å; V516-Y519 PolarHBondContact O-N 3.16Å; V516-Y519 VanDerWaalsContact O-N 3.13Å; V516-W520 HydrophobicContact CB-CZ3 4.47Å; V516-W520 HydrophobicContact CG1-CD2 4.06Å; V516-W520 HydrophobicContact CG1-CE3 3.73Å; V516-W520 HydrophobicContact CG1-CH2 4.14Å; V516-W520 HydrophobicContact CG1-CZ2 4.44Å; V516-W520 HydrophobicContact CG1-CZ3 3.77Å; V516-W520 PolarHBondContact O-N 2.91Å; V516-I565 HydrophobicContact CG2-CG2 4.11Å
517	M	98.6	Very high	97.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.3	-35.5	177.4	-70.5	-164.9	-67.9	0	0	112.4	I182 L183 Y186 V489 G491 M494 S513 T521	I182-M517 HydrophobicContact CG2-CE 4.17Å; I182-M517 HydrophobicContact CG2-SD 4.24Å; L183-M517 HydrophobicContact CB-SD 4.32Å; L183-M517 HydrophobicContact CD1-CB 4.13Å; L183-M517 HydrophobicContact CD1-CG 3.87Å; L183-M517 HydrophobicContact CD1-SD 3.99Å; Y186-M517 HydrophobicContact CD1-CB 3.56Å; Y186-M517 HydrophobicContact CD1-CE 3.79Å; Y186-M517 HydrophobicContact CD1-CG 4.48Å; Y186-M517 HydrophobicContact CD1-SD 4.19Å; Y186-M517 HydrophobicContact CD2-CE 3.99Å; Y186-M517 HydrophobicContact CE1-CB 3.67Å; Y186-M517 HydrophobicContact CE1-CE 4.33Å; Y186-M517 HydrophobicContact CE2-CE 4.48Å; Y186-M517 HydrophobicContact CG-CE 3.62Å; Y186-M517 HydrophobicContact CG-SD 4.31Å; V489-M517 VanDerWaalsContact O-CG 3.29Å; V489-M517 WeakPolarHBondContact O-CG 3.49Å; G491-M517 VanDerWaalsContact CA-SD 3.59Å; M494-M517 HydrophobicContact CE-CE 3.15Å; M494-M517 HydrophobicContact SD-CE 3.55Å; M494-M517 VanDerWaalsContact SD-CE 3.55Å; S513-M517 WeakPolarHBondContact O-CB 3.24Å; S513-M517 WeakPolarHBondContact O-CG 3.44Å; S513-M517 PolarHBondContact O-N 3.48Å; M517-T521 VanDerWaalsContact O-CB 3.28Å; M517-T521 WeakPolarHBondContact O-CB 3.18Å; M517-T521 WeakPolarHBondContact O-CG2 3.42Å; M517-T521 PolarHBondContact O-N 2.56Å; M517-T521 PolarHBondContact O-OG1 3.28Å
518	T	98.5	Very high	97.9	Very high	4 Å²	4	10.4 Å²	10.4	3%	0.025	6%	0.059	C	C	.	.	H	α-helix	trans	-63	-49.5	175.4	-55.2	0	0	0	0	110.9	Y186 A514 V515 V516 W520 T521 N522 V533	Y186-T518 WeakPolarHBondContact CE1-OG1 3.35Å; Y186-T518 PolarHBondContact OH-OG1 2.89Å; A514-T518 WeakPolarHBondContact O-CB 3.44Å; A514-T518 PolarHBondContact O-N 3.14Å; A514-T518 PolarHBondContact O-OG1 3.19Å; V515-T518 WeakPolarHBondContact O-CB 3.16Å; V515-T518 PolarHBondContact O-N 2.76Å; V516-T518 PolarHBondContact O-N 3.22Å; T518-W520 PolarHBondContact O-N 3.45Å; T518-T521 PolarHBondContact O-OG1 2.92Å; T518-N522 WeakPolarHBondContact O-CB 3.2Å; T518-N522 PolarHBondContact O-N 3.33Å; T518-V533 HydrophobicContact CG2-CB 4.11Å; T518-V533 HydrophobicContact CG2-CG1 4.09Å
519	Y	98.8	Very high	98	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.2	-44.3	177.7	-73.8	-54.3	0	0	0	112.7	V515 V516 F523 P529 Q535 F547 V550 W552 L563	V515-Y519 HydrophobicContact CG1-CD2 3.77Å; V515-Y519 HydrophobicContact CG1-CE2 3.5Å; V515-Y519 VanDerWaalsContact CG1-CE2 3.5Å; V515-Y519 WeakPolarHBondContact O-CD2 3.18Å; V515-Y519 PolarHBondContact O-N 3.45Å; V516-Y519 PolarHBondContact O-N 3.16Å; V516-Y519 VanDerWaalsContact O-N 3.13Å; Y519-F523 WeakPolarHBondContact O-CB 3.26Å; Y519-F523 PolarHBondContact O-N 2.91Å; Y519-P529 HydrophobicContact CD1-CB 3.88Å; Y519-P529 VanDerWaalsContact CD1-O 3.29Å; Y519-P529 WeakPolarHBondContact CD1-O 3.43Å; Y519-P529 HydrophobicContact CG-CB 4.43Å; Y519-Q535 VanDerWaalsContact CD2-NE2 3.3Å; Y519-Q535 HydrophobicContact CE1-CG 4Å; Y519-Q535 HydrophobicContact CE2-CG 4.44Å; Y519-Q535 VanDerWaalsContact CZ-NE2 3.33Å; Y519-F547 AromaticContact CE2-CD1 3.77Å; Y519-F547 HydrophobicContact CE2-CD1 3.77Å; Y519-F547 HydrophobicContact CE2-CE1 4.17Å; Y519-F547 HydrophobicContact CE2-CG 4.5Å; Y519-V550 PolarHBondContact OH-O 3.44Å; Y519-W552 AromaticContact CD1-CE3 3.91Å; Y519-W552 HydrophobicContact CD1-CE3 3.91Å; Y519-W552 HydrophobicContact CD2-CE3 4.29Å; Y519-W552 HydrophobicContact CD2-CZ3 4.49Å; Y519-W552 HydrophobicContact CE1-CB 4.24Å; Y519-W552 HydrophobicContact CE1-CE3 4.36Å; Y519-W552 AromaticContact CG-CE3 3.87Å; Y519-W552 HydrophobicContact CG-CE3 3.87Å; Y519-W552 HydrophobicContact CG-CZ3 4.15Å; Y519-L563 HydrophobicContact CD2-CD2 4.21Å; Y519-L563 HydrophobicContact CE2-CD2 3.72Å
520	W	98.9	Very high	98.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.5	-44.9	-179.4	-93.8	-120.8	0	0	0	111.7	M162 I270 M361 Y463 V489 V516 T518 F523 A524 W552 I565	M162-W520 HydrophobicContact CE-CB 4.32Å; I270-W520 HydrophobicContact CD1-CB 4.4Å; I270-W520 HydrophobicContact CD1-CG 4.01Å; M361-W520 HydrophobicContact SD-CD2 4.08Å; M361-W520 HydrophobicContact SD-CE3 4.08Å; M361-W520 HydrophobicContact SD-CH2 4.34Å; M361-W520 HydrophobicContact SD-CZ2 4.33Å; M361-W520 HydrophobicContact SD-CZ3 4.21Å; Y463-W520 HydrophobicContact CD1-CH2 4.17Å; Y463-W520 AromaticContact CE1-CH2 3.98Å; Y463-W520 HydrophobicContact CE1-CH2 3.98Å; Y463-W520 AromaticContact CE1-CZ2 4Å; Y463-W520 HydrophobicContact CE1-CZ2 4Å; V489-W520 HydrophobicContact CG1-CG 4.42Å; V489-W520 HydrophobicContact CG2-CD2 4.43Å; V489-W520 HydrophobicContact CG2-CZ2 3.98Å; V516-W520 HydrophobicContact CB-CZ3 4.47Å; V516-W520 HydrophobicContact CG1-CD2 4.06Å; V516-W520 HydrophobicContact CG1-CE3 3.73Å; V516-W520 HydrophobicContact CG1-CH2 4.14Å; V516-W520 HydrophobicContact CG1-CZ2 4.44Å; V516-W520 HydrophobicContact CG1-CZ3 3.77Å; V516-W520 PolarHBondContact O-N 2.91Å; T518-W520 PolarHBondContact O-N 3.45Å; W520-F523 PolarHBondContact O-N 3.19Å; W520-A524 PolarHBondContact O-N 2.86Å; W520-W552 HydrophobicContact CZ3-CH2 4.35Å; W520-W552 HydrophobicContact CZ3-CZ3 4.13Å; W520-I565 HydrophobicContact CH2-CD1 4.03Å; W520-I565 HydrophobicContact CZ3-CD1 4.01Å
521	T	98.7	Very high	98	Very high	3 Å²	3	14 Å²	14	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-76.9	-33	-177.2	59.9	0	0	0	0	111.9	M162 L183 V189 M517 T518 A524 K525	M162-T521 HydrophobicContact SD-CG2 4.06Å; L183-T521 HydrophobicContact CD1-CG2 3.56Å; V189-T521 HydrophobicContact CG1-CG2 4.34Å; V189-T521 HydrophobicContact CG2-CG2 4.03Å; M517-T521 VanDerWaalsContact O-CB 3.28Å; M517-T521 WeakPolarHBondContact O-CB 3.18Å; M517-T521 WeakPolarHBondContact O-CG2 3.42Å; M517-T521 PolarHBondContact O-N 2.56Å; M517-T521 PolarHBondContact O-OG1 3.28Å; T518-T521 PolarHBondContact O-OG1 2.92Å; T521-A524 PolarHBondContact O-N 3.39Å; T521-K525 WeakPolarHBondContact O-CB 3.36Å; T521-K525 WeakPolarHBondContact O-CD 3.41Å; T521-K525 WeakPolarHBondContact O-CG 3.28Å; T521-K525 PolarHBondContact O-N 3.14Å
522	N	98.5	Very high	97.9	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-47.9	168.4	-84.6	-3.6	0	0	0	111.6	T518 A524 K525 T526 D528 P529 Q531 P532 V533	T518-N522 WeakPolarHBondContact O-CB 3.2Å; T518-N522 PolarHBondContact O-N 3.33Å; N522-A524 VanDerWaalsContact C-N 3.32Å; N522-A524 PolarHBondContact O-N 2.9Å; N522-K525 WeakPolarHBondContact O-CB 3.27Å; N522-K525 PolarHBondContact O-N 2.95Å; N522-K525 VanDerWaalsContact O-N 3.11Å; N522-T526 PolarHBondContact O-N 2.64Å; N522-T526 PolarHBondContact O-OG1 3.01Å; N522-T526 VanDerWaalsContact O-OG1 3.1Å; N522-D528 CarbonylContact C-O 3.59Å; N522-P529 WeakPolarHBondContact CB-O 3.4Å; N522-P529 PolarHBondContact ND2-O 3.49Å; N522-Q531 CarbonylContact C-O 3.59Å; N522-Q531 WeakPolarHBondContact CA-O 3.4Å; N522-Q531 WeakPolarHBondContact CB-O 3.35Å; N522-Q531 VanDerWaalsContact CG-C 3.41Å; N522-Q531 VanDerWaalsContact CG-O 3.23Å; N522-Q531 VanDerWaalsContact O-O 3.08Å; N522-Q531 PolarHBondContact OD1-O 3.11Å; N522-P532 WeakPolarHBondContact OD1-CD 3.32Å; N522-V533 PolarHBondContact ND2-O 3.25Å; N522-V533 WeakPolarHBondContact OD1-CB 3.31Å; N522-V533 PolarHBondContact OD1-N 3.02Å; N522-V533 VanDerWaalsContact OD1-N 3.14Å
523	F	98.8	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.2	-44.1	175.6	-177.7	-102.6	0	0	0	111.6	T242 K268 I270 D359 M361 Y461 Y519 W520 K525 T526 G527 P529	T242-F523 HydrophobicContact CG2-CD1 4.42Å; T242-F523 HydrophobicContact CG2-CE1 4.46Å; K268-F523 HydrophobicContact CB-CE1 3.84Å; K268-F523 HydrophobicContact CB-CZ 4.24Å; K268-F523 HydrophobicContact CD-CD1 4.5Å; K268-F523 HydrophobicContact CD-CE1 4.32Å; K268-F523 WeakPolarHBondContact CD-O 3.48Å; K268-F523 WeakPolarHBondContact CE-O 3.45Å; I270-F523 HydrophobicContact CD1-CD1 3.85Å; I270-F523 HydrophobicContact CD1-CE1 4.44Å; I270-F523 HydrophobicContact CG1-CD1 3.64Å; I270-F523 HydrophobicContact CG1-CE1 3.73Å; D359-F523 HydrophobicContact CB-CE2 3.93Å; D359-F523 HydrophobicContact CB-CZ 3.76Å; D359-F523 WeakPolarHBondContact O-CZ 3.31Å; M361-F523 HydrophobicContact CB-CD1 4.23Å; M361-F523 HydrophobicContact CB-CD2 4.45Å; M361-F523 HydrophobicContact CB-CE1 3.97Å; M361-F523 HydrophobicContact CB-CE2 4.21Å; M361-F523 HydrophobicContact CB-CG 4.44Å; M361-F523 HydrophobicContact CB-CZ 3.95Å; M361-F523 HydrophobicContact CE-CB 3.55Å; M361-F523 HydrophobicContact CE-CD1 4.24Å; M361-F523 HydrophobicContact CE-CD2 4.01Å; M361-F523 HydrophobicContact CE-CG 3.68Å; Y461-F523 HydrophobicContact CD2-CD2 4.22Å; Y461-F523 AromaticContact CD2-CE2 3.88Å; Y461-F523 HydrophobicContact CD2-CE2 3.88Å; Y461-F523 HydrophobicContact CE2-CD2 4.37Å; Y461-F523 HydrophobicContact CE2-CE2 4.13Å; Y519-F523 WeakPolarHBondContact O-CB 3.26Å; Y519-F523 PolarHBondContact O-N 2.91Å; W520-F523 PolarHBondContact O-N 3.19Å; F523-K525 VanDerWaalsContact C-N 3.32Å; F523-K525 PolarHBondContact O-N 2.7Å; F523-T526 PolarHBondContact O-N 3.12Å; F523-G527 WeakPolarHBondContact CD2-O 3.28Å; F523-G527 WeakPolarHBondContact CE2-O 3.23Å; F523-G527 WeakPolarHBondContact O-CA 3.44Å; F523-G527 PolarHBondContact O-N 3.3Å; F523-P529 HydrophobicContact CB-CB 4.38Å
524	A	98.6	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-40.7	175	0	0	0	0	0	112.8	M162 T242 K268 W520 T521 N522	M162-A524 HydrophobicContact CE-CB 4.25Å; M162-A524 HydrophobicContact CG-CB 3.61Å; M162-A524 HydrophobicContact SD-CB 3.7Å; T242-A524 HydrophobicContact CG2-CB 4.43Å; T242-A524 WeakPolarHBondContact OG1-CA 3.45Å; K268-A524 PolarHBondContact NZ-O 3.45Å; W520-A524 PolarHBondContact O-N 2.86Å; T521-A524 PolarHBondContact O-N 3.39Å; N522-A524 VanDerWaalsContact C-N 3.32Å; N522-A524 PolarHBondContact O-N 2.9Å
525	K	97.1	Very high	97.2	Very high	26 Å²	26	23 Å²	23	11%	0.113	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-45	178.7	-74.9	164.3	-174.2	-177.9	0	112.8	P160 G187 T521 N522 F523 P532	P160-K525 HydrophobicContact CB-CG 4.44Å; P160-K525 HydrophobicContact CG-CB 4.2Å; P160-K525 HydrophobicContact CG-CG 3.45Å; P160-K525 VanDerWaalsContact CG-CG 3.45Å; G187-K525 WeakPolarHBondContact O-CE 3.35Å; G187-K525 PolarHBondContact O-NZ 2.79Å; T521-K525 WeakPolarHBondContact O-CB 3.36Å; T521-K525 WeakPolarHBondContact O-CD 3.41Å; T521-K525 WeakPolarHBondContact O-CG 3.28Å; T521-K525 PolarHBondContact O-N 3.14Å; N522-K525 WeakPolarHBondContact O-CB 3.27Å; N522-K525 PolarHBondContact O-N 2.95Å; N522-K525 VanDerWaalsContact O-N 3.11Å; F523-K525 VanDerWaalsContact C-N 3.32Å; F523-K525 PolarHBondContact O-N 2.7Å; K525-P532 HydrophobicContact CD-CG 4.14Å
526	T	97.3	Very high	96.8	Very high	67 Å²	67	26.8 Å²	26.8	41%	0.411	15%	0.151	S	C	.	.	H	α-helix	trans	-131.3	-18.7	-163.2	68.2	0	0	0	0	115.8	N522 F523 D528 Q531	N522-T526 PolarHBondContact O-N 2.64Å; N522-T526 PolarHBondContact O-OG1 3.01Å; N522-T526 VanDerWaalsContact O-OG1 3.1Å; F523-T526 PolarHBondContact O-N 3.12Å; T526-D528 VanDerWaalsContact C-N 3.27Å; T526-D528 PolarHBondContact OG1-N 3.3Å; T526-D528 VanDerWaalsContact OG1-N 3.1Å; T526-D528 PolarHBondContact OG1-O 3.04Å; T526-D528 VanDerWaalsContact OG1-O 3.04Å; T526-Q531 HydrophobicContact CG2-CB 4.2Å; T526-Q531 WeakPolarHBondContact CG2-O 3.44Å; T526-Q531 PolarHBondContact OG1-O 2.9Å
527	G	97.8	Very high	96.3	Very high	6 Å²	6	29.8 Å²	29.8	6%	0.062	17%	0.169	C	C	.	.	S	Bend	trans	86.8	-0.9	-170.3	0	0	0	0	0	112.9	D359 Y461 F523	D359-G527 WeakPolarHBondContact OD2-CA 3.44Å; Y461-G527 VanDerWaalsContact CE2-O 3.27Å; Y461-G527 WeakPolarHBondContact CE2-O 3.46Å; F523-G527 WeakPolarHBondContact CD2-O 3.28Å; F523-G527 WeakPolarHBondContact CE2-O 3.23Å; F523-G527 WeakPolarHBondContact O-CA 3.44Å; F523-G527 PolarHBondContact O-N 3.3Å
528	D	98.3	Very high	95.7	Very high	46 Å²	46	35 Å²	35	25%	0.246	19%	0.192	C	C	.	.			trans	-123	119.1	174.8	-172	-29.3	0	0	0	109.1	N522 T526 N530 Q531	N522-D528 CarbonylContact C-O 3.59Å; T526-D528 VanDerWaalsContact C-N 3.27Å; T526-D528 PolarHBondContact OG1-N 3.3Å; T526-D528 VanDerWaalsContact OG1-N 3.1Å; T526-D528 PolarHBondContact OG1-O 3.04Å; T526-D528 VanDerWaalsContact OG1-O 3.04Å; D528-N530 PolarHBondContact O-N 3.31Å; D528-N530 VanDerWaalsContact OD1-CB 3.29Å; D528-N530 WeakPolarHBondContact OD1-CB 3.4Å; D528-N530 PolarHBondContact OD1-N 3.32Å; D528-N530 PolarHBondContact OD1-ND2 2.98Å; D528-Q531 HydrophobicContact CB-CB 4.37Å; D528-Q531 HydrophobicContact CB-CG 4.45Å; D528-Q531 PolarHBondContact O-N 3.18Å; D528-Q531 VanDerWaalsContact O-N 3.11Å; D528-Q531 VanDerWaalsContact O-O 3.13Å
529	P	98.3	Very high	94.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.8	179.9	28.2	-34.6	0	0	0	113	M361 Y461 Y519 N522 F523 W552	M361-P529 HydrophobicContact CE-CB 3.72Å; M361-P529 HydrophobicContact CE-CG 4.29Å; Y461-P529 HydrophobicContact CD1-CG 3.58Å; Y461-P529 HydrophobicContact CD2-CG 4.38Å; Y461-P529 HydrophobicContact CE1-CG 3.71Å; Y461-P529 HydrophobicContact CE2-CG 4.49Å; Y461-P529 HydrophobicContact CG-CG 3.93Å; Y519-P529 HydrophobicContact CD1-CB 3.88Å; Y519-P529 VanDerWaalsContact CD1-O 3.29Å; Y519-P529 WeakPolarHBondContact CD1-O 3.43Å; Y519-P529 HydrophobicContact CG-CB 4.43Å; N522-P529 WeakPolarHBondContact CB-O 3.4Å; N522-P529 PolarHBondContact ND2-O 3.49Å; F523-P529 HydrophobicContact CB-CB 4.38Å; P529-W552 HydrophobicContact CB-CD2 4.31Å; P529-W552 HydrophobicContact CB-CE3 3.68Å; P529-W552 HydrophobicContact CB-CZ3 4.17Å; P529-W552 HydrophobicContact CG-CB 4.04Å; P529-W552 HydrophobicContact CG-CD2 3.87Å; P529-W552 HydrophobicContact CG-CE3 3.77Å; P529-W552 HydrophobicContact CG-CG 4.02Å; P529-W552 HydrophobicContact CG-CZ3 4.5Å
530	N	97.8	Very high	93.9	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.193	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.1	179.7	-50.7	-75.2	0	0	0	113.7	D528 W552	D528-N530 PolarHBondContact O-N 3.31Å; D528-N530 VanDerWaalsContact OD1-CB 3.29Å; D528-N530 WeakPolarHBondContact OD1-CB 3.4Å; D528-N530 PolarHBondContact OD1-N 3.32Å; D528-N530 PolarHBondContact OD1-ND2 2.98Å; N530-W552 PolarHBondContact ND2-O 3.2Å; N530-W552 PolarHBondContact OD1-N 3.07Å
531	Q	95.4	Very high	93.3	Very high	106 Å²	106	45 Å²	45	50%	0.495	24%	0.236	S	C	.	.	S	Bend	trans	-133.6	142.4	-172.9	-63.1	-62.6	-32	0	0	112.8	N522 T526 D528	N522-Q531 CarbonylContact C-O 3.59Å; N522-Q531 WeakPolarHBondContact CA-O 3.4Å; N522-Q531 WeakPolarHBondContact CB-O 3.35Å; N522-Q531 VanDerWaalsContact CG-C 3.41Å; N522-Q531 VanDerWaalsContact CG-O 3.23Å; N522-Q531 VanDerWaalsContact O-O 3.08Å; N522-Q531 PolarHBondContact OD1-O 3.11Å; T526-Q531 HydrophobicContact CG2-CB 4.2Å; T526-Q531 WeakPolarHBondContact CG2-O 3.44Å; T526-Q531 PolarHBondContact OG1-O 2.9Å; D528-Q531 HydrophobicContact CB-CB 4.37Å; D528-Q531 HydrophobicContact CB-CG 4.45Å; D528-Q531 PolarHBondContact O-N 3.18Å; D528-Q531 VanDerWaalsContact O-N 3.11Å; D528-Q531 VanDerWaalsContact O-O 3.13Å
532	P	94.8	Very high	92.6	Very high	63 Å²	63	48.2 Å²	48.2	41%	0.409	26%	0.256	S	S	.	.	S	Bend	cis	-95.1	-10.9	6	36.4	-34.8	0	0	0	113.8	N522 K525 P534	N522-P532 WeakPolarHBondContact OD1-CD 3.32Å; K525-P532 HydrophobicContact CD-CG 4.14Å; P532-P534 WeakPolarHBondContact O-CD 3.43Å
533	V	93.5	Very high	92.2	Very high	39 Å²	39	52.7 Å²	52.7	24%	0.236	28%	0.275	C	S	.	.	S	Bend	trans	-91.1	118.5	-172.1	-174.3	0	0	0	0	109.7	T518 N522	T518-V533 HydrophobicContact CG2-CB 4.11Å; T518-V533 HydrophobicContact CG2-CG1 4.09Å; N522-V533 PolarHBondContact ND2-O 3.25Å; N522-V533 WeakPolarHBondContact OD1-CB 3.31Å; N522-V533 PolarHBondContact OD1-N 3.02Å; N522-V533 VanDerWaalsContact OD1-N 3.14Å
534	P	93.3	Very high	91.7	Very high	71 Å²	71	57 Å²	57	46%	0.461	30%	0.304	S	S	.	.			trans	-68.7	157.6	174	29.9	-36.1	0	0	0	111.6	P532 D536	P532-P534 WeakPolarHBondContact O-CD 3.43Å; P534-D536 VanDerWaalsContact CG-OD2 3.31Å; P534-D536 WeakPolarHBondContact CG-OD2 3.2Å; P534-D536 PolarHBondContact O-N 2.9Å
535	Q	92.7	Very high	91.5	Very high	15 Å²	15	57.3 Å²	57.3	7%	0.07	31%	0.305	C	S	.	.			trans	-77.9	53	178.4	-72.2	-71.4	-4.2	0	0	112.4	V515 Y519 N545 F547 E548	V515-Q535 PolarHBondContact O-NE2 3.02Å; V515-Q535 VanDerWaalsContact O-NE2 3.09Å; Y519-Q535 VanDerWaalsContact CD2-NE2 3.3Å; Y519-Q535 HydrophobicContact CE1-CG 4Å; Y519-Q535 HydrophobicContact CE2-CG 4.44Å; Y519-Q535 VanDerWaalsContact CZ-NE2 3.33Å; Q535-N545 VanDerWaalsContact C-ND2 3.34Å; Q535-N545 PolarHBondContact O-ND2 2.85Å; Q535-N545 PolarHBondContact OE1-ND2 3.21Å; Q535-F547 HydrophobicContact CB-CB 4.24Å; Q535-F547 WeakPolarHBondContact CB-O 3.43Å; Q535-F547 HydrophobicContact CG-CB 4.28Å; Q535-E548 VanDerWaalsContact O-CA 3.29Å; Q535-E548 WeakPolarHBondContact O-CA 3.33Å; Q535-E548 WeakPolarHBondContact O-CG 3.48Å
536	D	88.5	Confident	91.2	Very high	80 Å²	80	61.6 Å²	61.6	43%	0.428	32%	0.321	S	S	.	.			trans	-79.1	149	-177.8	-64.7	-25.7	0	0	0	113.2	P534 K538 H541	P534-D536 VanDerWaalsContact CG-OD2 3.31Å; P534-D536 WeakPolarHBondContact CG-OD2 3.2Å; P534-D536 PolarHBondContact O-N 2.9Å; D536-K538 PolarHBondContact O-N 3.27Å; D536-H541 PolarHBondContact O-CE1 3.12Å; D536-H541 PolarHBondContact O-NE2 2.77Å
537	T	87.3	Confident	91.1	Very high	63 Å²	63	58.4 Å²	58.4	39%	0.387	30%	0.301	S	S	.	.			trans	-68.4	112.8	166.7	-61.1	0	0	0	0	111.6	P544 N545 E548	T537-P544 WeakPolarHBondContact OG1-CA 3.31Å; T537-N545 PolarHBondContact OG1-N 2.05Å; T537-E548 WeakPolarHBondContact CB-OE1 3.49Å; T537-E548 PolarHBondContact N-OE1 2.9Å; T537-E548 PolarHBondContact OG1-OE1 2.99Å
538	K	86.1	Confident	90.8	Very high	108 Å²	108	63.1 Å²	63.1	47%	0.47	32%	0.321	S	S	.	.			trans	-115.7	162	170.2	-59.3	177.9	-175.8	175.5	0	111.6	D536 I540 H541	D536-K538 PolarHBondContact O-N 3.27Å; K538-I540 HydrophobicContact CB-CG2 4.06Å; K538-I540 PolarHBondContact O-N 3.5Å; K538-I540 VanDerWaalsContact O-N 3.09Å; K538-H541 PolarHBondContact N-CE1 3.18Å; K538-H541 PolarHBondContact N-ND1 3.02Å; K538-H541 WeakPolarHBondContact O-CB 3.18Å; K538-H541 PolarHBondContact O-N 3.28Å; K538-H541 PolarHBondContact O-ND1 3.21Å
539	F	78.4	Confident	90.3	Very high	198 Å²	198	70.1 Å²	70.1	87%	0.868	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-51.5	-36.4	178.9	-72.4	-70.2	0	0	0	114	I59 H541 T542	I59-F539 HydrophobicContact CD1-CB 4.31Å; F539-H541 PolarHBondContact O-N 3.49Å; F539-H541 VanDerWaalsContact O-N 3.11Å; F539-T542 PolarHBondContact O-N 3.1Å; F539-T542 VanDerWaalsContact O-N 3.1Å
540	I	82.8	Confident	90.1	Very high	12 Å²	12	71.3 Å²	71.3	6%	0.062	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-56.7	-26	177.5	-165.8	67.9	0	0	0	113.6	I59 L60 Y186 M494 V510 K538 T542	I59-I540 HydrophobicContact CB-CD1 3.87Å; I59-I540 HydrophobicContact CD1-CB 4.4Å; I59-I540 HydrophobicContact CD1-CD1 4.02Å; I59-I540 HydrophobicContact CG2-CB 4.34Å; I59-I540 HydrophobicContact CG2-CD1 3.9Å; L60-I540 HydrophobicContact CD2-CD1 4.1Å; L60-I540 HydrophobicContact CG-CD1 4.3Å; Y186-I540 HydrophobicContact CD2-CG1 4.15Å; Y186-I540 HydrophobicContact CE2-CG1 4.04Å; Y186-I540 HydrophobicContact CE2-CG2 3.92Å; M494-I540 HydrophobicContact CE-CG1 3.9Å; M494-I540 HydrophobicContact SD-CD1 4.11Å; M494-I540 HydrophobicContact SD-CG1 4.06Å; V510-I540 WeakPolarHBondContact CG1-O 3.48Å; K538-I540 HydrophobicContact CB-CG2 4.06Å; K538-I540 PolarHBondContact O-N 3.5Å; K538-I540 VanDerWaalsContact O-N 3.09Å; I540-T542 VanDerWaalsContact C-N 3.35Å; I540-T542 PolarHBondContact O-N 3.32Å
541	H	84.8	Confident	89.9	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.019	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-75.6	-23.2	-178.9	-59.3	80.6	0	0	0	112.7	M511 A514 D536 K538 F539 K543	M511-H541 HydrophobicContact CB-CB 4.4Å; M511-H541 HydrophobicContact CG-CB 4.3Å; M511-H541 PolarHBondContact N-O 3.26Å; A514-H541 VanDerWaalsContact CB-CD2 3.48Å; A514-H541 WeakPolarHBondContact CB-CD2 3.03Å; D536-H541 PolarHBondContact O-CE1 3.12Å; D536-H541 PolarHBondContact O-NE2 2.77Å; K538-H541 PolarHBondContact N-CE1 3.18Å; K538-H541 PolarHBondContact N-ND1 3.02Å; K538-H541 WeakPolarHBondContact O-CB 3.18Å; K538-H541 PolarHBondContact O-N 3.28Å; K538-H541 PolarHBondContact O-ND1 3.21Å; F539-H541 PolarHBondContact O-N 3.49Å; F539-H541 VanDerWaalsContact O-N 3.11Å; H541-K543 VanDerWaalsContact CB-O 3.26Å; H541-K543 WeakPolarHBondContact CB-O 3.07Å; H541-K543 PolarHBondContact O-N 3.12Å
542	T	85.6	Confident	90.1	Very high	71 Å²	71	67.6 Å²	67.6	44%	0.436	35%	0.352	S	S	.	.	S	Bend	trans	59.6	-11.4	-174.2	78	0	0	0	0	116.6	K507 V510 F539 I540	K507-T542 WeakPolarHBondContact CB-OG1 3.44Å; K507-T542 PolarHBondContact O-OG1 3.4Å; V510-T542 HydrophobicContact CB-CG2 4.48Å; V510-T542 HydrophobicContact CG1-CG2 3.88Å; F539-T542 PolarHBondContact O-N 3.1Å; F539-T542 VanDerWaalsContact O-N 3.1Å; I540-T542 VanDerWaalsContact C-N 3.35Å; I540-T542 PolarHBondContact O-N 3.32Å
543	K	89.1	Confident	90.2	Very high	95 Å²	95	67.6 Å²	67.6	41%	0.413	35%	0.351	S	S	.	.	S	Bend	trans	-140.9	158.6	176.1	-78.7	-71.5	-172.8	174.2	0	109.5	K507 M511 H541 N545	K507-K543 HydrophobicContact CB-CG 3.75Å; M511-K543 HydrophobicContact CB-CB 4.15Å; M511-K543 HydrophobicContact CG-CB 4.41Å; H541-K543 VanDerWaalsContact CB-O 3.26Å; H541-K543 WeakPolarHBondContact CB-O 3.07Å; H541-K543 PolarHBondContact O-N 3.12Å; K543-N545 PolarHBondContact O-N 3.23Å
544	P	89.6	Confident	90.4	Very high	92 Å²	92	71 Å²	71	60%	0.597	36%	0.362	S	S	*	.			trans	-55.1	131.5	170	-24.6	34.7	0	0	0	111.5	T537 R546	T537-P544 WeakPolarHBondContact OG1-CA 3.31Å; P544-R546 PolarHBondContact O-N 3.06Å
545	N	92.3	Very high	90.7	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.032	34%	0.342	C	S	.	.			trans	-69.6	117.8	176.2	-174.1	-15.9	0	0	0	108.9	V515 Q535 T537 K543 F547 E548	V515-N545 WeakPolarHBondContact CG2-OD1 3.33Å; Q535-N545 VanDerWaalsContact C-ND2 3.34Å; Q535-N545 PolarHBondContact O-ND2 2.85Å; Q535-N545 PolarHBondContact OE1-ND2 3.21Å; T537-N545 PolarHBondContact OG1-N 2.05Å; K543-N545 PolarHBondContact O-N 3.23Å; N545-F547 PolarHBondContact O-N 3.1Å; N545-F547 WeakPolarHBondContact OD1-CA 3.32Å; N545-F547 WeakPolarHBondContact OD1-CB 3.46Å; N545-F547 PolarHBondContact OD1-N 2.7Å; N545-E548 HydrophobicContact CB-CG 4.17Å
546	R	92.8	Very high	90.9	Very high	116 Å²	116	69.6 Å²	69.6	44%	0.438	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-4.1	-178.6	-59.4	-173.5	-172.1	-167	4.4	113.2	N508 M511 P544 L567 P569	N508-R546 PolarHBondContact OD1-NH2 2.76Å; M511-R546 HydrophobicContact CE-CB 4.48Å; M511-R546 HydrophobicContact CE-CG 4.03Å; P544-R546 PolarHBondContact O-N 3.06Å; R546-L567 WeakPolarHBondContact CD-O 3.33Å; R546-L567 PolarHBondContact NH1-O 3.16Å; R546-P569 HydrophobicContact CB-CG 3.92Å; R546-P569 WeakPolarHBondContact O-CG 3.01Å
547	F	95	Very high	91.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	5.8	-176.4	-65.2	-112.5	0	0	0	113	L512 V515 Y519 Q535 N545 E549 V550 L563 I565 P569	L512-F547 HydrophobicContact CD1-CE2 3.81Å; L512-F547 HydrophobicContact CD1-CZ 3.78Å; V515-F547 HydrophobicContact CB-CD2 4.19Å; V515-F547 HydrophobicContact CB-CE2 4.36Å; V515-F547 HydrophobicContact CG1-CB 4.1Å; V515-F547 HydrophobicContact CG1-CD1 3.73Å; V515-F547 HydrophobicContact CG1-CD2 3.6Å; V515-F547 HydrophobicContact CG1-CE1 3.87Å; V515-F547 HydrophobicContact CG1-CE2 3.78Å; V515-F547 HydrophobicContact CG1-CG 3.56Å; V515-F547 HydrophobicContact CG1-CZ 3.88Å; V515-F547 HydrophobicContact CG2-CB 4.35Å; V515-F547 HydrophobicContact CG2-CD2 3.7Å; V515-F547 HydrophobicContact CG2-CE2 4.21Å; V515-F547 HydrophobicContact CG2-CG 4.2Å; Y519-F547 AromaticContact CE2-CD1 3.77Å; Y519-F547 HydrophobicContact CE2-CD1 3.77Å; Y519-F547 HydrophobicContact CE2-CE1 4.17Å; Y519-F547 HydrophobicContact CE2-CG 4.5Å; Q535-F547 HydrophobicContact CB-CB 4.24Å; Q535-F547 WeakPolarHBondContact CB-O 3.43Å; Q535-F547 HydrophobicContact CG-CB 4.28Å; N545-F547 PolarHBondContact O-N 3.1Å; N545-F547 WeakPolarHBondContact OD1-CA 3.32Å; N545-F547 WeakPolarHBondContact OD1-CB 3.46Å; N545-F547 PolarHBondContact OD1-N 2.7Å; F547-E549 PolarHBondContact O-N 2.99Å; F547-E549 VanDerWaalsContact O-N 3.14Å; F547-V550 HydrophobicContact CB-CB 4.26Å; F547-V550 HydrophobicContact CD1-CB 4.33Å; F547-V550 HydrophobicContact CD1-CG1 4.36Å; F547-V550 PolarHBondContact O-N 3.37Å; F547-L563 HydrophobicContact CE1-CD2 4.49Å; F547-I565 HydrophobicContact CZ-CG2 4.32Å; F547-P569 HydrophobicContact CD1-CB 3.46Å; F547-P569 VanDerWaalsContact CD1-CB 3.46Å; F547-P569 HydrophobicContact CD1-CG 3.97Å; F547-P569 HydrophobicContact CD2-CB 3.94Å; F547-P569 HydrophobicContact CD2-CG 3.66Å; F547-P569 HydrophobicContact CE1-CB 3.2Å; F547-P569 HydrophobicContact CE1-CG 4.04Å; F547-P569 HydrophobicContact CE2-CB 3.68Å; F547-P569 HydrophobicContact CE2-CG 3.69Å; F547-P569 HydrophobicContact CG-CB 3.85Å; F547-P569 HydrophobicContact CG-CG 3.81Å; F547-P569 HydrophobicContact CZ-CB 3.34Å; F547-P569 HydrophobicContact CZ-CG 3.92Å
548	E	89.9	Confident	91.6	Very high	104 Å²	104	73.1 Å²	73.1	49%	0.486	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-41.5	179.7	-80.9	179.1	-176.7	0	0	113.2	Q535 T537 N545	Q535-E548 VanDerWaalsContact O-CA 3.29Å; Q535-E548 WeakPolarHBondContact O-CA 3.33Å; Q535-E548 WeakPolarHBondContact O-CG 3.48Å; T537-E548 WeakPolarHBondContact CB-OE1 3.49Å; T537-E548 PolarHBondContact N-OE1 2.9Å; T537-E548 PolarHBondContact OG1-OE1 2.99Å; N545-E548 HydrophobicContact CB-CG 4.17Å
549	E	88.3	Confident	92.2	Very high	194 Å²	194	71.2 Å²	71.2	91%	0.907	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	9.6	179.9	-59.8	-175	165.6	0	0	113.2	F547	F547-E549 PolarHBondContact O-N 2.99Å; F547-E549 VanDerWaalsContact O-N 3.14Å
550	V	93.6	Very high	93.1	Very high	24 Å²	24	63.2 Å²	63.2	15%	0.145	32%	0.322	C	S	.	.			trans	-103.5	96.9	-174.9	-175	0	0	0	0	110.2	Y519 F547 L563 P569	Y519-V550 PolarHBondContact OH-O 3.44Å; F547-V550 HydrophobicContact CB-CB 4.26Å; F547-V550 HydrophobicContact CD1-CB 4.33Å; F547-V550 HydrophobicContact CD1-CG1 4.36Å; F547-V550 PolarHBondContact O-N 3.37Å; V550-L563 HydrophobicContact CG1-CD1 3.52Å; V550-P569 HydrophobicContact CG2-CB 4.31Å; V550-P569 HydrophobicContact CG2-CG 4.2Å
551	A	94.9	Very high	93.9	Very high	63 Å²	63	64.6 Å²	64.6	52%	0.521	33%	0.33	S	S	.	.			trans	-82.7	125.1	169.9	0	0	0	0	0	110.7	T553 V571	A551-T553 PolarHBondContact O-N 3.31Å; A551-V571 WeakPolarHBondContact O-CG2 3.31Å
552	W	97.9	Very high	94.5	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.008	33%	0.333	C	S	.	.			trans	-77.4	103.8	176	-168.8	-13.4	0	0	0	109.8	M361 Y461 F462 Y463 Y519 W520 P529 N530 L563	M361-W552 HydrophobicContact CE-CE3 4.39Å; M361-W552 HydrophobicContact CE-CH2 3.74Å; M361-W552 HydrophobicContact CE-CZ3 3.64Å; M361-W552 HydrophobicContact CG-CH2 3.66Å; M361-W552 HydrophobicContact CG-CZ2 4.05Å; M361-W552 HydrophobicContact SD-CH2 3.48Å; M361-W552 WeakPolarHBondContact SD-CH2 3.23Å; M361-W552 HydrophobicContact SD-CZ2 4.43Å; M361-W552 HydrophobicContact SD-CZ3 3.86Å; Y461-W552 AromaticContact CD1-CD1 3.97Å; Y461-W552 HydrophobicContact CD1-CG 4.24Å; F462-W552 PolarHBondContact O-NE1 3.02Å; Y463-W552 AromaticContact CD1-CH2 3.84Å; Y463-W552 HydrophobicContact CD1-CH2 3.84Å; Y463-W552 HydrophobicContact CD1-CZ2 4.08Å; Y463-W552 HydrophobicContact CG-CH2 4.19Å; Y463-W552 HydrophobicContact CG-CZ2 4.32Å; Y519-W552 AromaticContact CD1-CE3 3.91Å; Y519-W552 HydrophobicContact CD1-CE3 3.91Å; Y519-W552 HydrophobicContact CD2-CE3 4.29Å; Y519-W552 HydrophobicContact CD2-CZ3 4.49Å; Y519-W552 HydrophobicContact CE1-CB 4.24Å; Y519-W552 HydrophobicContact CE1-CE3 4.36Å; Y519-W552 AromaticContact CG-CE3 3.87Å; Y519-W552 HydrophobicContact CG-CE3 3.87Å; Y519-W552 HydrophobicContact CG-CZ3 4.15Å; W520-W552 HydrophobicContact CZ3-CH2 4.35Å; W520-W552 HydrophobicContact CZ3-CZ3 4.13Å; P529-W552 HydrophobicContact CB-CD2 4.31Å; P529-W552 HydrophobicContact CB-CE3 3.68Å; P529-W552 HydrophobicContact CB-CZ3 4.17Å; P529-W552 HydrophobicContact CG-CB 4.04Å; P529-W552 HydrophobicContact CG-CD2 3.87Å; P529-W552 HydrophobicContact CG-CE3 3.77Å; P529-W552 HydrophobicContact CG-CG 4.02Å; P529-W552 HydrophobicContact CG-CZ3 4.5Å; N530-W552 PolarHBondContact ND2-O 3.2Å; N530-W552 PolarHBondContact OD1-N 3.07Å; W552-L563 HydrophobicContact CB-CD2 4.18Å; W552-L563 HydrophobicContact CD2-CB 3.8Å; W552-L563 HydrophobicContact CD2-CD2 3.59Å; W552-L563 HydrophobicContact CD2-CG 4.33Å; W552-L563 HydrophobicContact CE3-CB 4.49Å; W552-L563 HydrophobicContact CE3-CD2 3.51Å; W552-L563 HydrophobicContact CG-CB 3.82Å; W552-L563 HydrophobicContact CG-CD2 3.9Å; W552-L563 HydrophobicContact CG-CG 4.41Å; W552-L563 HydrophobicContact CZ2-CB 4.37Å; W552-L563 HydrophobicContact CZ3-CD2 4.1Å
553	T	97.8	Very high	95.1	Very high	63 Å²	63	62 Å²	62	39%	0.387	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-76.6	147.3	-178.7	-50.6	0	0	0	0	111.3	A551 L561	A551-T553 PolarHBondContact O-N 3.31Å; T553-L561 HydrophobicContact CG2-CD1 3.5Å
554	K	98.1	Very high	95.6	Very high	109 Å²	109	58.2 Å²	58.2	47%	0.474	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-58.9	139.5	174.1	-69.5	-178.7	-179.7	-174.5	0	111.3	T460 Y461	T460-K554 WeakPolarHBondContact O-CA 3.21Å; Y461-K554 HydrophobicContact CD1-CG 4.38Å; Y461-K554 HydrophobicContact CE1-CB 4.38Å; Y461-K554 HydrophobicContact CE1-CG 3.58Å; Y461-K554 HydrophobicContact CE2-CG 4.37Å; Y461-K554 WeakPolarHBondContact OH-CE 3.47Å
555	Y	98.6	Very high	96	Very high	11 Å²	11	53.9 Å²	53.9	4%	0.043	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-75.5	142.8	170.6	-176.8	-88.3	0	0	0	110.4	A450 D451 A454 T460 F462 Q560 L561	A450-Y555 HydrophobicContact CB-CD1 3.89Å; A450-Y555 HydrophobicContact CB-CE1 3.57Å; A450-Y555 HydrophobicContact CB-CE2 4.48Å; A450-Y555 HydrophobicContact CB-CG 4.5Å; D451-Y555 VanDerWaalsContact OD1-CE1 3.26Å; D451-Y555 WeakPolarHBondContact OD1-CE1 3.37Å; D451-Y555 VanDerWaalsContact OD1-CZ 3.28Å; D451-Y555 PolarHBondContact OD1-OH 3.47Å; A454-Y555 HydrophobicContact CB-CD1 3.97Å; A454-Y555 HydrophobicContact CB-CE1 4.45Å; T460-Y555 HydrophobicContact CG2-CD1 4.04Å; T460-Y555 HydrophobicContact CG2-CG 4.31Å; T460-Y555 PolarHBondContact O-N 2.79Å; F462-Y555 HydrophobicContact CB-CD2 3.52Å; F462-Y555 HydrophobicContact CB-CE2 4.2Å; F462-Y555 HydrophobicContact CB-CG 4.05Å; F462-Y555 HydrophobicContact CG-CD2 4.2Å; F462-Y555 HydrophobicContact CG-CE2 4.42Å; Y555-Q560 HydrophobicContact CE2-CB 3.86Å; Y555-Q560 HydrophobicContact CE2-CG 4.2Å; Y555-Q560 WeakPolarHBondContact OH-CG 3.47Å; Y555-Q560 PolarHBondContact OH-NE2 3.31Å; Y555-L561 WeakPolarHBondContact CD2-O 3.45Å
556	N	97.1	Very high	96.2	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	27%	0.266	S	S	.	.			trans	-149.2	156.2	167.1	72	74	0	0	0	109.5	K558 D559 Q560	N556-K558 PolarHBondContact O-N 2.97Å; N556-K558 VanDerWaalsContact O-N 3.08Å; N556-K558 WeakPolarHBondContact OD1-CA 3.3Å; N556-K558 VanDerWaalsContact OD1-CB 3.3Å; N556-K558 WeakPolarHBondContact OD1-CB 3.42Å; N556-K558 PolarHBondContact OD1-N 2.9Å; N556-D559 PolarHBondContact ND2-OD2 2.91Å; N556-D559 PolarHBondContact O-N 3.37Å; N556-D559 PolarHBondContact OD1-N 3.34Å; N556-Q560 VanDerWaalsContact O-CA 3.26Å; N556-Q560 WeakPolarHBondContact O-CA 3.35Å; N556-Q560 PolarHBondContact O-N 3.39Å
557	P	95.9	Very high	96.3	Very high	51 Å²	51	50.3 Å²	50.3	33%	0.331	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.3	-173.6	-21.4	33.6	0	0	0	114.4	D451 A454 Q455 Q560	D451-P557 HydrophobicContact CB-CB 4.5Å; D451-P557 HydrophobicContact CB-CG 4.47Å; D451-P557 WeakPolarHBondContact OD1-CA 3.26Å; A454-P557 HydrophobicContact CB-CG 4.27Å; Q455-P557 HydrophobicContact CB-CG 4.34Å; P557-Q560 WeakPolarHBondContact O-CG 3.48Å
558	K	95.6	Very high	96.3	Very high	165 Å²	165	57.2 Å²	57.2	72%	0.717	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-48.4	-178.4	175.9	-171.8	169.4	-169.2	0	112.4	N556	N556-K558 PolarHBondContact O-N 2.97Å; N556-K558 VanDerWaalsContact O-N 3.08Å; N556-K558 WeakPolarHBondContact OD1-CA 3.3Å; N556-K558 VanDerWaalsContact OD1-CB 3.3Å; N556-K558 WeakPolarHBondContact OD1-CB 3.42Å; N556-K558 PolarHBondContact OD1-N 2.9Å
559	D	97.5	Very high	96.5	Very high	69 Å²	69	53.3 Å²	53.3	37%	0.369	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-19.9	-176.1	-52.9	-48	0	0	0	112	N556 L561 D573 H574	N556-D559 PolarHBondContact ND2-OD2 2.91Å; N556-D559 PolarHBondContact O-N 3.37Å; N556-D559 PolarHBondContact OD1-N 3.34Å; D559-L561 HydrophobicContact CB-CD1 4.39Å; D559-L561 HydrophobicContact CB-CD2 4.45Å; D559-L561 HydrophobicContact CB-CG 3.92Å; D559-L561 PolarHBondContact O-N 2.6Å; D559-D573 WeakPolarHBondContact O-CB 3.4Å; D559-H574 PolarHBondContact O-CE1 3.04Å
560	Q	98	Very high	96.8	Very high	29 Å²	29	48.1 Å²	48.1	14%	0.136	24%	0.242	C	C	.	.			trans	43.9	42	178.6	-61.5	-168.2	-29.2	0	0	113.7	D451 Y555 N556 P557 D573 H574	D451-Q560 PolarHBondContact OD1-NE2 3.09Å; D451-Q560 PolarHBondContact OD2-NE2 2.89Å; Y555-Q560 HydrophobicContact CE2-CB 3.86Å; Y555-Q560 HydrophobicContact CE2-CG 4.2Å; Y555-Q560 WeakPolarHBondContact OH-CG 3.47Å; Y555-Q560 PolarHBondContact OH-NE2 3.31Å; N556-Q560 VanDerWaalsContact O-CA 3.26Å; N556-Q560 WeakPolarHBondContact O-CA 3.35Å; N556-Q560 PolarHBondContact O-N 3.39Å; P557-Q560 WeakPolarHBondContact O-CG 3.48Å; Q560-D573 WeakPolarHBondContact O-CA 3.38Å; Q560-H574 PolarHBondContact O-N 3.49Å; Q560-H574 PolarHBondContact OE1-CD2 2.9Å
561	L	98.6	Very high	97	Very high	42 Å²	42	49 Å²	49	22%	0.22	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.9	-178.1	-62.1	178.8	0	0	0	111	T553 Y555 D559 V571 R572 D573	T553-L561 HydrophobicContact CG2-CD1 3.5Å; Y555-L561 WeakPolarHBondContact CD2-O 3.45Å; D559-L561 HydrophobicContact CB-CD1 4.39Å; D559-L561 HydrophobicContact CB-CD2 4.45Å; D559-L561 HydrophobicContact CB-CG 3.92Å; D559-L561 PolarHBondContact O-N 2.6Å; L561-V571 HydrophobicContact CB-CG1 4.15Å; L561-V571 HydrophobicContact CD2-CG1 4.2Å; L561-R572 CarbonylContact C-O 3.55Å; L561-R572 WeakPolarHBondContact CA-O 3.37Å; L561-D573 HydrophobicContact CD2-CB 3.86Å
562	Y	98.8	Very high	97.2	Very high	20 Å²	20	51.2 Å²	51.2	8%	0.078	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.6	176.4	74.5	-80.9	0	0	0	112.3	F462 A464 H564 V571 R572 Y575	F462-Y562 HydrophobicContact CD1-CG 4.41Å; F462-Y562 CarbonylContact O-C 3.54Å; F462-Y562 VanDerWaalsContact O-CA 3.25Å; F462-Y562 WeakPolarHBondContact O-CA 3.5Å; F462-Y562 WeakPolarHBondContact O-CB 3.29Å; A464-Y562 HydrophobicContact CB-CD2 3.82Å; A464-Y562 HydrophobicContact CB-CE2 3.7Å; Y562-H564 HydrophobicContact CE2-CB 4.21Å; Y562-V571 WeakPolarHBondContact O-CA 3.32Å; Y562-R572 HydrophobicContact CD1-CB 4.01Å; Y562-R572 WeakPolarHBondContact CD1-O 3.06Å; Y562-R572 HydrophobicContact CE1-CB 3.31Å; Y562-R572 HydrophobicContact CE2-CB 4.12Å; Y562-R572 PolarHBondContact N-O 2.86Å; Y562-R572 PolarHBondContact O-N 2.77Å; Y562-R572 WeakPolarHBondContact OH-CB 3.48Å; Y562-Y575 HydrophobicContact CE1-CD2 4.12Å; Y562-Y575 HydrophobicContact CE1-CG 4.31Å; Y562-Y575 AromaticContact CE2-CD2 3.86Å; Y562-Y575 HydrophobicContact CE2-CD2 3.86Å; Y562-Y575 HydrophobicContact CE2-CG 4.33Å; Y562-Y575 AromaticContact CZ-CD2 3.57Å
563	L	98.8	Very high	97.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.3	172.4	-178.4	62.5	0	0	0	110.3	F462 Y463 A464 Y519 F547 V550 W552 I565	F462-L563 PolarHBondContact O-N 2.88Å; Y463-L563 VanDerWaalsContact CA-O 3.31Å; Y463-L563 WeakPolarHBondContact CA-O 3.31Å; A464-L563 PolarHBondContact N-O 3.28Å; Y519-L563 HydrophobicContact CD2-CD2 4.21Å; Y519-L563 HydrophobicContact CE2-CD2 3.72Å; F547-L563 HydrophobicContact CE1-CD2 4.49Å; V550-L563 HydrophobicContact CG1-CD1 3.52Å; W552-L563 HydrophobicContact CB-CD2 4.18Å; W552-L563 HydrophobicContact CD2-CB 3.8Å; W552-L563 HydrophobicContact CD2-CD2 3.59Å; W552-L563 HydrophobicContact CD2-CG 4.33Å; W552-L563 HydrophobicContact CE3-CB 4.49Å; W552-L563 HydrophobicContact CE3-CD2 3.51Å; W552-L563 HydrophobicContact CG-CB 3.82Å; W552-L563 HydrophobicContact CG-CD2 3.9Å; W552-L563 HydrophobicContact CG-CG 4.41Å; W552-L563 HydrophobicContact CZ2-CB 4.37Å; W552-L563 HydrophobicContact CZ3-CD2 4.1Å; L563-I565 HydrophobicContact CB-CG1 4.5Å; L563-I565 HydrophobicContact CD2-CD1 4.24Å; L563-I565 HydrophobicContact CD2-CG1 3.79Å; L563-I565 HydrophobicContact CG-CG1 3.81Å; L563-I565 PolarHBondContact O-N 2.93Å
564	H	98.4	Very high	97.2	Very high	16 Å²	16	56.1 Å²	56.1	7%	0.074	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	104	167.1	172.6	-65.8	0	0	0	109.1	Y466 Y562 P569 R570	Y466-H564 AromaticContact CD1-NE2 3.55Å; Y466-H564 AromaticContact CD2-CD2 3.65Å; Y466-H564 AromaticContact CD2-NE2 3.81Å; Y466-H564 AromaticContact CE2-CD2 3.89Å; Y466-H564 AromaticContact CG-CD2 3.74Å; Y466-H564 AromaticContact CG-CE1 3.93Å; Y466-H564 AromaticContact CG-NE2 3.36Å; Y562-H564 HydrophobicContact CE2-CB 4.21Å; H564-P569 WeakPolarHBondContact O-CA 3.34Å; H564-R570 HydrophobicContact CB-CG 4.34Å; H564-R570 WeakPolarHBondContact CB-O 3.39Å; H564-R570 PolarHBondContact N-O 3.18Å
565	I	98.3	Very high	97.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.4	-179.6	-58.7	178.3	0	0	0	109.3	Y463 A464 F465 Y466 L512 V516 W520 F547 L563	Y463-I565 HydrophobicContact CD2-CD1 3.92Å; Y463-I565 HydrophobicContact CG-CD1 3.85Å; A464-I565 PolarHBondContact O-N 2.66Å; F465-I565 HydrophobicContact CD2-CB 3.84Å; F465-I565 HydrophobicContact CD2-CD1 4.37Å; F465-I565 HydrophobicContact CD2-CG2 3.56Å; F465-I565 HydrophobicContact CE2-CB 4.34Å; F465-I565 HydrophobicContact CE2-CG2 3.54Å; Y466-I565 PolarHBondContact N-O 2.77Å; L512-I565 HydrophobicContact CD1-CG2 3.88Å; V516-I565 HydrophobicContact CG2-CG2 4.11Å; W520-I565 HydrophobicContact CH2-CD1 4.03Å; W520-I565 HydrophobicContact CZ3-CD1 4.01Å; F547-I565 HydrophobicContact CZ-CG2 4.32Å; L563-I565 HydrophobicContact CB-CG1 4.5Å; L563-I565 HydrophobicContact CD2-CD1 4.24Å; L563-I565 HydrophobicContact CD2-CG1 3.79Å; L563-I565 HydrophobicContact CG-CG1 3.81Å; L563-I565 PolarHBondContact O-N 2.93Å
566	G	96.3	Very high	97.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	173.8	-166.9	175	0	0	0	0	0	111.2	K568 P569	G566-K568 PolarHBondContact O-N 3.12Å; G566-K568 VanDerWaalsContact O-N 3.15Å; G566-P569 WeakPolarHBondContact O-CD 3.17Å
567	L	95	Very high	97.1	Very high	47 Å²	47	51.4 Å²	51.4	25%	0.246	25%	0.246	C	C	.	.	S	Bend	trans	-71.4	-9	-175.1	-57.3	-173.4	0	0	0	115	N508 M511 R546	N508-L567 HydrophobicContact CB-CD1 4.35Å; N508-L567 HydrophobicContact CB-CD2 3.79Å; M511-L567 HydrophobicContact CE-CD2 4.34Å; R546-L567 WeakPolarHBondContact CD-O 3.33Å; R546-L567 PolarHBondContact NH1-O 3.16Å
568	K	94.8	Very high	97.1	Very high	146 Å²	146	53.3 Å²	53.3	64%	0.635	26%	0.257	S	S	*	.	S	Bend	trans	-126.2	66.8	173.8	-65.8	-178.7	-176.6	174.6	0	109.4	G566 R570	G566-K568 PolarHBondContact O-N 3.12Å; G566-K568 VanDerWaalsContact O-N 3.15Å; K568-R570 PolarHBondContact O-NH1 3.2Å
569	P	94	Very high	97.2	Very high	21 Å²	21	46.9 Å²	46.9	14%	0.136	23%	0.229	C	C	.	.			trans	-70.5	146.8	-169.9	32.8	-37.8	0	0	0	111.9	R546 F547 V550 H564 G566	R546-P569 HydrophobicContact CB-CG 3.92Å; R546-P569 WeakPolarHBondContact O-CG 3.01Å; F547-P569 HydrophobicContact CD1-CB 3.46Å; F547-P569 VanDerWaalsContact CD1-CB 3.46Å; F547-P569 HydrophobicContact CD1-CG 3.97Å; F547-P569 HydrophobicContact CD2-CB 3.94Å; F547-P569 HydrophobicContact CD2-CG 3.66Å; F547-P569 HydrophobicContact CE1-CB 3.2Å; F547-P569 HydrophobicContact CE1-CG 4.04Å; F547-P569 HydrophobicContact CE2-CB 3.68Å; F547-P569 HydrophobicContact CE2-CG 3.69Å; F547-P569 HydrophobicContact CG-CB 3.85Å; F547-P569 HydrophobicContact CG-CG 3.81Å; F547-P569 HydrophobicContact CZ-CB 3.34Å; F547-P569 HydrophobicContact CZ-CG 3.92Å; V550-P569 HydrophobicContact CG2-CB 4.31Å; V550-P569 HydrophobicContact CG2-CG 4.2Å; H564-P569 WeakPolarHBondContact O-CA 3.34Å; G566-P569 WeakPolarHBondContact O-CD 3.17Å
570	R	95.8	Very high	97.3	Very high	85 Å²	85	44 Å²	44	32%	0.321	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	152.3	179.8	56.5	-151.7	-170.2	-109.4	1.6	109.9	H564 K568 R572	H564-R570 HydrophobicContact CB-CG 4.34Å; H564-R570 WeakPolarHBondContact CB-O 3.39Å; H564-R570 PolarHBondContact N-O 3.18Å; K568-R570 PolarHBondContact O-NH1 3.2Å; R570-R572 VanDerWaalsContact CD-NH2 3.29Å; R570-R572 HydrophobicContact CG-CG 4.05Å; R570-R572 VanDerWaalsContact NE-NE 3.19Å; R570-R572 VanDerWaalsContact NE-NH2 3.1Å
571	V	97.5	Very high	97.2	Very high	43 Å²	43	45 Å²	45	26%	0.261	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	137.7	163.9	-178.3	0	0	0	0	108.7	A551 L561 Y562	A551-V571 WeakPolarHBondContact O-CG2 3.31Å; L561-V571 HydrophobicContact CB-CG1 4.15Å; L561-V571 HydrophobicContact CD2-CG1 4.2Å; Y562-V571 WeakPolarHBondContact O-CA 3.32Å
572	R	97.7	Very high	97.2	Very high	109 Å²	109	43.2 Å²	43.2	41%	0.411	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	172.4	174.3	-73.4	-66.3	-177.3	-106.6	14.2	108.5	L561 Y562 R570	L561-R572 CarbonylContact C-O 3.55Å; L561-R572 WeakPolarHBondContact CA-O 3.37Å; Y562-R572 HydrophobicContact CD1-CB 4.01Å; Y562-R572 WeakPolarHBondContact CD1-O 3.06Å; Y562-R572 HydrophobicContact CE1-CB 3.31Å; Y562-R572 HydrophobicContact CE2-CB 4.12Å; Y562-R572 PolarHBondContact N-O 2.86Å; Y562-R572 PolarHBondContact O-N 2.77Å; Y562-R572 WeakPolarHBondContact OH-CB 3.48Å; R570-R572 VanDerWaalsContact CD-NH2 3.29Å; R570-R572 HydrophobicContact CG-CG 4.05Å; R570-R572 VanDerWaalsContact NE-NE 3.19Å; R570-R572 VanDerWaalsContact NE-NH2 3.1Å
573	D	97.8	Very high	97.1	Very high	91 Å²	91	42.9 Å²	42.9	49%	0.487	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.5	-176.7	61.6	-78.9	0	0	0	110.2	D559 Q560 L561 Y575	D559-D573 WeakPolarHBondContact O-CB 3.4Å; Q560-D573 WeakPolarHBondContact O-CA 3.38Å; L561-D573 HydrophobicContact CD2-CB 3.86Å; D573-Y575 PolarHBondContact O-N 3.08Å
574	H	98.1	Very high	96.9	Very high	77 Å²	77	45.8 Å²	45.8	36%	0.356	23%	0.232	S	C	.	.	S	Bend	trans	54.1	55.6	168.9	-62.5	91.9	0	0	0	113.8	D559 Q560 R576 A577	D559-H574 PolarHBondContact O-CE1 3.04Å; Q560-H574 PolarHBondContact O-N 3.49Å; Q560-H574 PolarHBondContact OE1-CD2 2.9Å; H574-R576 PolarHBondContact O-N 3.03Å; H574-A577 HydrophobicContact CB-CB 3.74Å; H574-A577 WeakPolarHBondContact O-CB 3.44Å; H574-A577 PolarHBondContact O-N 3.17Å; H574-A577 VanDerWaalsContact O-N 3.13Å
575	Y	98.1	Very high	96.8	Very high	8 Å²	8	52 Å²	52	3%	0.031	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	110.2	-177.1	-175.5	-124.4	0	0	0	111.7	V364 V443 F462 A464 Y466 Y562 D573 A577	V364-Y575 HydrophobicContact CG2-CD1 4.29Å; V364-Y575 HydrophobicContact CG2-CE1 3.54Å; V443-Y575 HydrophobicContact CG1-CD1 3.72Å; V443-Y575 HydrophobicContact CG1-CE1 3.68Å; V443-Y575 HydrophobicContact CG2-CE1 4.08Å; F462-Y575 AromaticContact CE1-CD1 4Å; F462-Y575 HydrophobicContact CE1-CD1 4Å; A464-Y575 HydrophobicContact CB-CD1 4.47Å; A464-Y575 HydrophobicContact CB-CD2 4.19Å; A464-Y575 HydrophobicContact CB-CE1 4.15Å; A464-Y575 HydrophobicContact CB-CE2 3.89Å; A464-Y575 HydrophobicContact CB-CG 4.48Å; Y466-Y575 HydrophobicContact CE2-CE2 4.03Å; Y466-Y575 WeakPolarHBondContact OH-CE2 3.28Å; Y562-Y575 HydrophobicContact CE1-CD2 4.12Å; Y562-Y575 HydrophobicContact CE1-CG 4.31Å; Y562-Y575 AromaticContact CE2-CD2 3.86Å; Y562-Y575 HydrophobicContact CE2-CD2 3.86Å; Y562-Y575 HydrophobicContact CE2-CG 4.33Å; Y562-Y575 AromaticContact CZ-CD2 3.57Å; D573-Y575 PolarHBondContact O-N 3.08Å; Y575-A577 PolarHBondContact O-N 3.26Å; Y575-A577 VanDerWaalsContact O-N 3.07Å
576	R	97.2	Very high	96.5	Very high	29 Å²	29	55.4 Å²	55.4	11%	0.109	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	31.9	179.4	-57.5	176.7	65.6	84.2	-1	113.4	D439 H574 T578 K579 V580 D777	D439-R576 VanDerWaalsContact CG-NH2 3.35Å; D439-R576 IonicContact OD1-CZ 2.78Å; D439-R576 VanDerWaalsContact OD1-CZ 3.26Å; D439-R576 IonicContact OD1-NE 2.66Å; D439-R576 PolarHBondContact OD1-NE 3.22Å; D439-R576 IonicContact OD1-NH2 2.71Å; D439-R576 PolarHBondContact OD1-NH2 3.03Å; D439-R576 IonicContact OD2-CZ 3.71Å; D439-R576 IonicContact OD2-NE 3.62Å; D439-R576 IonicContact OD2-NH2 3.38Å; D439-R576 PolarHBondContact OD2-NH2 3.2Å; H574-R576 PolarHBondContact O-N 3.03Å; R576-T578 VanDerWaalsContact C-N 3.28Å; R576-T578 PolarHBondContact O-N 3.2Å; R576-K579 WeakPolarHBondContact O-CA 3.22Å; R576-K579 PolarHBondContact O-N 3Å; R576-V580 PolarHBondContact O-N 3.09Å; R576-D777 WeakPolarHBondContact CG-OD1 3.44Å; R576-D777 IonicContact CZ-OD1 2.91Å; R576-D777 IonicContact NH1-OD1 3Å; R576-D777 PolarHBondContact NH1-OD1 3.32Å
577	A	96.6	Very high	96.3	Very high	31 Å²	31	55.4 Å²	55.4	26%	0.256	28%	0.279	S	S	.	.	H	α-helix	trans	-53.1	-36.8	-167.1	0	0	0	0	0	115	H574 Y575 K579 V580 A581	H574-A577 HydrophobicContact CB-CB 3.74Å; H574-A577 WeakPolarHBondContact O-CB 3.44Å; H574-A577 PolarHBondContact O-N 3.17Å; H574-A577 VanDerWaalsContact O-N 3.13Å; Y575-A577 PolarHBondContact O-N 3.26Å; Y575-A577 VanDerWaalsContact O-N 3.07Å; A577-K579 VanDerWaalsContact C-N 3.32Å; A577-K579 PolarHBondContact O-N 3.39Å; A577-V580 PolarHBondContact O-N 2.96Å; A577-A581 VanDerWaalsContact O-CB 3.27Å; A577-A581 WeakPolarHBondContact O-CB 3.44Å; A577-A581 PolarHBondContact O-N 3.5Å
578	T	96.9	Very high	96.1	Very high	91 Å²	91	55.9 Å²	55.9	56%	0.558	28%	0.284	S	S	*	.	H	α-helix	trans	-62	-38.8	176.2	-52.6	0	0	0	0	112.6	M416 R576 F582 L781	M416-T578 HydrophobicContact CE-CG2 4.39Å; R576-T578 VanDerWaalsContact C-N 3.28Å; R576-T578 PolarHBondContact O-N 3.2Å; T578-F582 VanDerWaalsContact O-CB 3.3Å; T578-F582 WeakPolarHBondContact O-CB 3.48Å; T578-F582 PolarHBondContact O-N 3.47Å; T578-L781 HydrophobicContact CG2-CD1 4.36Å
579	K	97.8	Very high	95.8	Very high	30 Å²	30	54.4 Å²	54.4	13%	0.13	28%	0.28	C	S	.	.	H	α-helix	trans	-76.4	-38.1	178.4	-58.4	-53.2	-174.4	-172.3	0	111.2	M416 Y417 D439 R576 A577 F582 W583	M416-K579 PolarHBondContact O-NZ 3.42Å; Y417-K579 HydrophobicContact CE1-CD 4.34Å; D439-K579 WeakPolarHBondContact OD2-CB 3.37Å; R576-K579 WeakPolarHBondContact O-CA 3.22Å; R576-K579 PolarHBondContact O-N 3Å; A577-K579 VanDerWaalsContact C-N 3.32Å; A577-K579 PolarHBondContact O-N 3.39Å; K579-F582 WeakPolarHBondContact O-CB 3.35Å; K579-F582 PolarHBondContact O-N 3.24Å; K579-W583 PolarHBondContact O-N 3.01Å; K579-W583 VanDerWaalsContact O-N 3.09Å
580	V	98.1	Very high	95.3	Very high	10 Å²	10	54.5 Å²	54.5	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-53.2	173.5	174.5	0	0	0	0	110.7	V443 V447 R576 A577 F582 W583 L584	V443-V580 HydrophobicContact CG1-CG2 3.84Å; V447-V580 HydrophobicContact CB-CG1 3.94Å; V447-V580 HydrophobicContact CG1-CG1 3.78Å; V447-V580 HydrophobicContact CG2-CG1 4.43Å; V447-V580 HydrophobicContact CG2-CG2 4.15Å; R576-V580 PolarHBondContact O-N 3.09Å; A577-V580 PolarHBondContact O-N 2.96Å; V580-F582 PolarHBondContact O-N 3.01Å; V580-W583 PolarHBondContact O-N 3.08Å; V580-W583 VanDerWaalsContact O-N 3.07Å; V580-L584 HydrophobicContact CG1-CD1 3.57Å; V580-L584 HydrophobicContact CG1-CG 4.12Å; V580-L584 WeakPolarHBondContact O-CB 3.36Å; V580-L584 WeakPolarHBondContact O-CG 3.34Å; V580-L584 PolarHBondContact O-N 2.97Å
581	A	97.3	Very high	94.5	Very high	48 Å²	48	52.9 Å²	52.9	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-34.8	177.1	0	0	0	0	0	112.2	A577 W583 E585 L586	A577-A581 VanDerWaalsContact O-CB 3.27Å; A577-A581 WeakPolarHBondContact O-CB 3.44Å; A577-A581 PolarHBondContact O-N 3.5Å; A581-W583 PolarHBondContact O-N 3.4Å; A581-E585 WeakPolarHBondContact O-CA 3.35Å; A581-E585 WeakPolarHBondContact O-CB 3.49Å; A581-E585 PolarHBondContact O-N 3.25Å; A581-L586 PolarHBondContact O-N 2.72Å
582	F	97.6	Very high	93.5	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.026	28%	0.281	C	S	.	.	I	π-helix	trans	-57	-49.7	172.3	169	-110.3	0	0	0	111.9	T412 I413 M416 Y417 T578 K579 V580 L586 V587	T412-F582 HydrophobicContact CG2-CE2 3.79Å; T412-F582 HydrophobicContact CG2-CZ 4.37Å; I413-F582 HydrophobicContact CB-CZ 4.46Å; I413-F582 HydrophobicContact CG1-CE1 4Å; I413-F582 HydrophobicContact CG1-CZ 3.64Å; M416-F582 HydrophobicContact CB-CE1 4.45Å; M416-F582 HydrophobicContact CB-CZ 4.39Å; M416-F582 HydrophobicContact CE-CB 4.17Å; M416-F582 HydrophobicContact CE-CD2 4.18Å; M416-F582 HydrophobicContact CE-CG 4.19Å; M416-F582 HydrophobicContact CG-CD2 3.9Å; M416-F582 HydrophobicContact CG-CE2 3.77Å; M416-F582 HydrophobicContact CG-CG 4.34Å; M416-F582 HydrophobicContact CG-CZ 4.08Å; Y417-F582 HydrophobicContact CE2-CD1 4.31Å; Y417-F582 HydrophobicContact CE2-CE1 4.15Å; T578-F582 VanDerWaalsContact O-CB 3.3Å; T578-F582 WeakPolarHBondContact O-CB 3.48Å; T578-F582 PolarHBondContact O-N 3.47Å; K579-F582 WeakPolarHBondContact O-CB 3.35Å; K579-F582 PolarHBondContact O-N 3.24Å; V580-F582 PolarHBondContact O-N 3.01Å; F582-L586 HydrophobicContact CD2-CB 4.13Å; F582-L586 HydrophobicContact CD2-CD2 3.85Å; F582-L586 HydrophobicContact CD2-CG 4.34Å; F582-L586 HydrophobicContact CE2-CD2 4.04Å; F582-L586 HydrophobicContact CE2-CG 4.47Å; F582-L586 PolarHBondContact O-N 3.09Å; F582-V587 HydrophobicContact CD1-CG2 4.24Å; F582-V587 HydrophobicContact CD2-CG2 4.16Å; F582-V587 HydrophobicContact CE1-CG2 3.73Å; F582-V587 HydrophobicContact CE2-CG2 3.62Å; F582-V587 HydrophobicContact CG-CG2 4.44Å; F582-V587 HydrophobicContact CZ-CG2 3.39Å; F582-V587 WeakPolarHBondContact O-CG2 3.36Å; F582-V587 PolarHBondContact O-N 2.93Å
583	W	97.2	Very high	92.2	Very high	12 Å²	12	51.9 Å²	51.9	5%	0.045	28%	0.275	C	S	.	.	I	π-helix	trans	-74.4	-37.1	-178.9	-69.8	121.9	0	0	0	114.2	F395 Y400 I413 Y417 L436 H440 A444 K579 V580 A581 V587 P588	F395-W583 AromaticContact CE1-CH2 3.85Å; F395-W583 HydrophobicContact CE1-CH2 3.85Å; F395-W583 HydrophobicContact CE1-CZ3 4.47Å; F395-W583 HydrophobicContact CZ-CH2 4.41Å; Y400-W583 HydrophobicContact CE2-CZ3 4.32Å; Y400-W583 WeakPolarHBondContact OH-CZ3 3.48Å; I413-W583 HydrophobicContact CD1-CH2 3.69Å; I413-W583 HydrophobicContact CD1-CZ3 3.88Å; I413-W583 HydrophobicContact CG1-CH2 3.79Å; I413-W583 HydrophobicContact CG1-CZ3 4.15Å; I413-W583 HydrophobicContact CG2-CH2 4.16Å; Y417-W583 AromaticContact CE2-CZ2 3.71Å; Y417-W583 HydrophobicContact CE2-CZ2 3.71Å; Y417-W583 AromaticContact CE2-NE1 3.99Å; Y417-W583 AromaticContact CZ-NE1 3.82Å; Y417-W583 PolarHBondContact OH-NE1 3.03Å; L436-W583 HydrophobicContact CG-CZ2 4.32Å; H440-W583 HydrophobicContact CB-CD2 4.37Å; H440-W583 HydrophobicContact CB-CZ2 4.2Å; H440-W583 AromaticContact CD2-CD2 3.87Å; H440-W583 AromaticContact CD2-CE3 3.54Å; H440-W583 AromaticContact CD2-CZ3 3.69Å; A444-W583 HydrophobicContact CB-CB 3.91Å; A444-W583 HydrophobicContact CB-CG 4.45Å; K579-W583 PolarHBondContact O-N 3.01Å; K579-W583 VanDerWaalsContact O-N 3.09Å; V580-W583 PolarHBondContact O-N 3.08Å; V580-W583 VanDerWaalsContact O-N 3.07Å; A581-W583 PolarHBondContact O-N 3.4Å; W583-V587 HydrophobicContact CD2-CG2 4.48Å; W583-V587 HydrophobicContact CE3-CB 4.06Å; W583-V587 HydrophobicContact CE3-CG1 4.1Å; W583-V587 HydrophobicContact CE3-CG2 3.59Å; W583-V587 HydrophobicContact CZ3-CB 4.5Å; W583-V587 HydrophobicContact CZ3-CG1 4.23Å; W583-V587 HydrophobicContact CZ3-CG2 3.83Å; W583-P588 VanDerWaalsContact O-CD 3.23Å; W583-P588 WeakPolarHBondContact O-CD 3.43Å
584	L	95.7	Very high	90.3	Very high	62 Å²	62	48.5 Å²	48.5	33%	0.325	26%	0.257	S	S	.	.	I	π-helix	trans	-85	-27.8	-176	-61.8	-175.4	0	0	0	113.3	A444 A448 V580	A444-L584 HydrophobicContact CB-CD2 4.15Å; A444-L584 HydrophobicContact CB-CG 4.39Å; A448-L584 HydrophobicContact CB-CD1 4.04Å; A448-L584 HydrophobicContact CB-CD2 4.14Å; V580-L584 HydrophobicContact CG1-CD1 3.57Å; V580-L584 HydrophobicContact CG1-CG 4.12Å; V580-L584 WeakPolarHBondContact O-CB 3.36Å; V580-L584 WeakPolarHBondContact O-CG 3.34Å; V580-L584 PolarHBondContact O-N 2.97Å
585	E	94.4	Very high	88.3	Confident	145 Å²	145	50.3 Å²	50.3	68%	0.678	27%	0.266	S	S	*	.	I	π-helix	trans	-113.8	-56.1	-174.4	-57	-72.3	162.2	0	0	112.3	A581	A581-E585 WeakPolarHBondContact O-CA 3.35Å; A581-E585 WeakPolarHBondContact O-CB 3.49Å; A581-E585 PolarHBondContact O-N 3.25Å
586	L	93.8	Very high	85.7	Confident	72 Å²	72	57.1 Å²	57.1	38%	0.377	30%	0.296	S	S	.	.	I	π-helix	trans	-75	-45	-171.3	-178.1	59	0	0	0	112.3	T412 A581 F582 H589 L590	T412-L586 HydrophobicContact CG2-CD2 4.35Å; A581-L586 PolarHBondContact O-N 2.72Å; F582-L586 HydrophobicContact CD2-CB 4.13Å; F582-L586 HydrophobicContact CD2-CD2 3.85Å; F582-L586 HydrophobicContact CD2-CG 4.34Å; F582-L586 HydrophobicContact CE2-CD2 4.04Å; F582-L586 HydrophobicContact CE2-CG 4.47Å; F582-L586 PolarHBondContact O-N 3.09Å; L586-H589 WeakPolarHBondContact O-CB 3.35Å; L586-H589 PolarHBondContact O-N 2.94Å; L586-L590 HydrophobicContact CD1-CD1 4.22Å; L586-L590 HydrophobicContact CD1-CD2 4.41Å; L586-L590 HydrophobicContact CD1-CG 4.03Å; L586-L590 HydrophobicContact CD2-CD1 4.34Å; L586-L590 HydrophobicContact CG-CD1 3.87Å; L586-L590 HydrophobicContact CG-CG 4.15Å; L586-L590 WeakPolarHBondContact O-CG 2.86Å; L586-L590 PolarHBondContact O-N 3.49Å
587	V	92.1	Very high	83.2	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-45.7	-176.7	167.4	0	0	0	0	112.7	Y400 L409 F582 W583 H589 L590 H591	Y400-V587 HydrophobicContact CE1-CG1 3.84Å; Y400-V587 WeakPolarHBondContact OH-CG1 3.4Å; L409-V587 HydrophobicContact CD1-CB 4.26Å; L409-V587 HydrophobicContact CD1-CG1 3.81Å; L409-V587 HydrophobicContact CD1-CG2 3.86Å; F582-V587 HydrophobicContact CD1-CG2 4.24Å; F582-V587 HydrophobicContact CD2-CG2 4.16Å; F582-V587 HydrophobicContact CE1-CG2 3.73Å; F582-V587 HydrophobicContact CE2-CG2 3.62Å; F582-V587 HydrophobicContact CG-CG2 4.44Å; F582-V587 HydrophobicContact CZ-CG2 3.39Å; F582-V587 WeakPolarHBondContact O-CG2 3.36Å; F582-V587 PolarHBondContact O-N 2.93Å; W583-V587 HydrophobicContact CD2-CG2 4.48Å; W583-V587 HydrophobicContact CE3-CB 4.06Å; W583-V587 HydrophobicContact CE3-CG1 4.1Å; W583-V587 HydrophobicContact CE3-CG2 3.59Å; W583-V587 HydrophobicContact CZ3-CB 4.5Å; W583-V587 HydrophobicContact CZ3-CG1 4.23Å; W583-V587 HydrophobicContact CZ3-CG2 3.83Å; V587-H589 VanDerWaalsContact C-N 3.27Å; V587-H589 PolarHBondContact O-N 2.92Å; V587-L590 PolarHBondContact O-N 3.31Å; V587-H591 WeakPolarHBondContact O-CB 3.39Å; V587-H591 PolarHBondContact O-N 3.42Å
588	P	89.8	Confident	80.6	Confident	56 Å²	56	66.8 Å²	66.8	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-57.9	-39.2	173.7	-28.4	37.4	0	0	0	112.7	W583 H591 N592	W583-P588 VanDerWaalsContact O-CD 3.23Å; W583-P588 WeakPolarHBondContact O-CD 3.43Å; P588-H591 PolarHBondContact O-N 2.67Å; P588-N592 WeakPolarHBondContact O-CB 3.48Å; P588-N592 VanDerWaalsContact O-CG 3.27Å; P588-N592 PolarHBondContact O-N 3.01Å
589	H	87.6	Confident	77.9	Confident	116 Å²	116	72.2 Å²	72.2	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-47.9	175.2	-175.2	67.2	0	0	0	112.2	L586 V587 H591 N592 I593	L586-H589 WeakPolarHBondContact O-CB 3.35Å; L586-H589 PolarHBondContact O-N 2.94Å; V587-H589 VanDerWaalsContact C-N 3.27Å; V587-H589 PolarHBondContact O-N 2.92Å; H589-H591 VanDerWaalsContact C-N 3.29Å; H589-H591 PolarHBondContact O-N 3.41Å; H589-N592 PolarHBondContact O-N 3.49Å; H589-I593 WeakPolarHBondContact NE2-CD1 3.37Å; H589-I593 VanDerWaalsContact O-CG1 3.28Å; H589-I593 WeakPolarHBondContact O-CG1 3.17Å; H589-I593 PolarHBondContact O-N 3.17Å
590	L	84.6	Confident	74.9	Confident	23 Å²	23	76 Å²	76	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-63.8	-34.7	177.8	-67.8	177.2	0	0	0	112.6	T408 L409 T412 L586 V587 I593	T408-L590 HydrophobicContact CG2-CD2 4.29Å; L409-L590 HydrophobicContact CD1-CB 4.33Å; L409-L590 HydrophobicContact CD1-CD1 4.31Å; T412-L590 HydrophobicContact CG2-CD1 3.94Å; L586-L590 HydrophobicContact CD1-CD1 4.22Å; L586-L590 HydrophobicContact CD1-CD2 4.41Å; L586-L590 HydrophobicContact CD1-CG 4.03Å; L586-L590 HydrophobicContact CD2-CD1 4.34Å; L586-L590 HydrophobicContact CG-CD1 3.87Å; L586-L590 HydrophobicContact CG-CG 4.15Å; L586-L590 WeakPolarHBondContact O-CG 2.86Å; L586-L590 PolarHBondContact O-N 3.49Å; V587-L590 PolarHBondContact O-N 3.31Å; L590-I593 HydrophobicContact CD2-CD1 4.26Å
591	H	78.4	Confident	71.9	Confident	50 Å²	50	80.3 Å²	80.3	23%	0.231	40%	0.403	C	S	.	.	H	α-helix	trans	-65.8	-47.4	175.9	-167.5	64.3	0	0	0	111.1	V587 P588 H589 I593 N594	V587-H591 WeakPolarHBondContact O-CB 3.39Å; V587-H591 PolarHBondContact O-N 3.42Å; P588-H591 PolarHBondContact O-N 2.67Å; H589-H591 VanDerWaalsContact C-N 3.29Å; H589-H591 PolarHBondContact O-N 3.41Å; H591-I593 PolarHBondContact O-N 2.91Å; H591-N594 PolarHBondContact O-N 2.94Å
592	N	76.8	Confident	69.1	Low	75 Å²	75	84.1 Å²	84.1	40%	0.401	42%	0.422	S	S	.	.	H	α-helix	trans	-70.2	-30.1	-177.9	-70.4	-8.7	0	0	0	113.7	P588 H589 N594 E595 F596	P588-N592 WeakPolarHBondContact O-CB 3.48Å; P588-N592 VanDerWaalsContact O-CG 3.27Å; P588-N592 PolarHBondContact O-N 3.01Å; H589-N592 PolarHBondContact O-N 3.49Å; N592-N594 PolarHBondContact O-N 3.11Å; N592-E595 PolarHBondContact O-N 2.76Å; N592-F596 WeakPolarHBondContact O-CD2 3.23Å; N592-F596 PolarHBondContact O-N 3.21Å
593	I	70.6	Confident	66.2	Low	56 Å²	56	89.7 Å²	89.7	29%	0.287	46%	0.456	S	S	.	.	H	α-helix	trans	-54	-37.1	176.8	-75.3	161.2	0	0	0	111.2	H589 L590 H591 F596 F597	H589-I593 WeakPolarHBondContact NE2-CD1 3.37Å; H589-I593 VanDerWaalsContact O-CG1 3.28Å; H589-I593 WeakPolarHBondContact O-CG1 3.17Å; H589-I593 PolarHBondContact O-N 3.17Å; L590-I593 HydrophobicContact CD2-CD1 4.26Å; H591-I593 PolarHBondContact O-N 2.91Å; I593-F596 PolarHBondContact O-N 2.82Å; I593-F597 HydrophobicContact CG2-CD2 3.91Å; I593-F597 HydrophobicContact CG2-CE2 3.59Å; I593-F597 WeakPolarHBondContact O-CD2 3.43Å; I593-F597 PolarHBondContact O-N 3.39Å
594	N	59	Low	63.4	Low	20 Å²	20	95.3 Å²	95.3	11%	0.107	49%	0.492	C	S	.	.	H	α-helix	trans	-74.1	-25.2	-179	-66	-32.1	0	0	0	113.2	G405 H591 N592	G405-N594 WeakPolarHBondContact CA-OD1 3.37Å; G405-N594 PolarHBondContact O-ND2 3.24Å; G405-N594 PolarHBondContact O-OD1 2.66Å; H591-N594 PolarHBondContact O-N 2.94Å; N592-N594 PolarHBondContact O-N 3.11Å
595	E	55.5	Low	60.4	Low	116 Å²	116	102 Å²	102	54%	0.542	52%	0.518	S	S	.	.	H	α-helix	trans	-74.1	-37.7	172.4	-64.3	-164.7	153.8	0	0	112	N592 F597 Q598	N592-E595 PolarHBondContact O-N 2.76Å; E595-F597 PolarHBondContact O-N 3.3Å; E595-Q598 PolarHBondContact O-N 2.85Å
596	F	43.9	Very low	57.4	Low	151 Å²	151	102.3 Å²	102.3	66%	0.662	52%	0.523	S	S	*	.	H	α-helix	trans	-65.3	-34.6	179.5	-89.3	-81.8	0	0	0	113.4	N592 I593 Q598 Y599	N592-F596 WeakPolarHBondContact O-CD2 3.23Å; N592-F596 PolarHBondContact O-N 3.21Å; I593-F596 PolarHBondContact O-N 2.82Å; F596-Q598 VanDerWaalsContact C-N 3.27Å; F596-Q598 PolarHBondContact O-N 3.49Å; F596-Y599 PolarHBondContact O-N 2.94Å
597	F	44.6	Very low	54.6	Low	142 Å²	142	104 Å²	104	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-72	-17.5	178.3	-77.6	-68.8	0	0	0	114.1	I593 E595	I593-F597 HydrophobicContact CG2-CD2 3.91Å; I593-F597 HydrophobicContact CG2-CE2 3.59Å; I593-F597 WeakPolarHBondContact O-CD2 3.43Å; I593-F597 PolarHBondContact O-N 3.39Å; E595-F597 PolarHBondContact O-N 3.3Å
598	Q	41.7	Very low	51.7	Low	120 Å²	120	110.2 Å²	110.2	56%	0.561	58%	0.579	S	S	*	*	H	α-helix	trans	-74.3	-27.1	174.4	-68.6	-174.4	-13	0	0	112.6	E595 F596	E595-Q598 PolarHBondContact O-N 2.85Å; F596-Q598 VanDerWaalsContact C-N 3.27Å; F596-Q598 PolarHBondContact O-N 3.49Å
599	Y	39.9	Very low	48.9	Very low	206 Å²	206	115.8 Å²	115.8	81%	0.808	60%	0.6	S	S	*	*	H	α-helix	trans	-81.7	-22.9	176.3	-91.5	-84.8	0	0	0	114.1	F596	F596-Y599 PolarHBondContact O-N 2.94Å
600	V	35.4	Very low	46.2	Very low	109 Å²	109	116.4 Å²	116.4	66%	0.661	61%	0.607	S	S	*	*	H	α-helix	trans	-95.6	-3.9	-174.4	-165.9	0	0	0	0	113.1	T602	V600-T602 PolarHBondContact O-N 2.94Å
601	S	34.1	Very low	43.6	Very low	100 Å²	100	121.2 Å²	121.2	70%	0.699	64%	0.638	S	S	*	*			trans	-81.9	56.4	169.9	-83.1	0	0	0	0	113
602	T	38.3	Very low	41.5	Very low	129 Å²	129	125.2 Å²	125.2	79%	0.791	67%	0.666	S	S	*	*			trans	-123.1	71.4	154.2	25.9	0	0	0	0	109	V600 T604	V600-T602 PolarHBondContact O-N 2.94Å; T602-T604 PolarHBondContact O-N 3.21Å
603	T	37.8	Very low	39.6	Very low	122 Å²	122	126.2 Å²	126.2	75%	0.748	68%	0.676	S	S	*	*			trans	-70.8	116.7	167.1	73.6	0	0	0	0	109	K605	T603-K605 PolarHBondContact O-N 3.24Å
604	T	38.1	Very low	37.7	Very low	130 Å²	130	133.9 Å²	133.9	80%	0.798	70%	0.703	S	S	*	*			trans	-6.4	101.4	159.2	11.6	0	0	0	0	115.8	T602	T602-T604 PolarHBondContact O-N 3.21Å
605	K	32.4	Very low	37.1	Very low	204 Å²	204	137.5 Å²	137.5	89%	0.887	73%	0.728	S	S	*	*			trans	-85.1	108	149.6	-80.7	-168.3	177.5	179	0	108.5	T603	T603-K605 PolarHBondContact O-N 3.24Å
606	I	32.2	Very low	35.8	Very low	150 Å²	150	142.8 Å²	142.8	77%	0.769	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-61	127.4	166.6	-60	165.1	0	0	0	107.7
607	P	33.9	Very low	35.1	Very low	108 Å²	108	140.9 Å²	140.9	70%	0.701	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-80.7	146.8	174.5	30.8	-29.1	0	0	0	110.6
608	P	31.1	Very low	34.4	Very low	131 Å²	131	142.7 Å²	142.7	85%	0.851	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-77.7	127.4	172.4	14.9	-3.7	0	0	0	111.5
609	Q	31.6	Very low	33.6	Very low	173 Å²	173	148 Å²	148	81%	0.808	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-75.9	150.3	155.2	-78.4	-179.5	-39.6	0	0	108.4
610	D	30.9	Very low	33.2	Very low	129 Å²	129	147.9 Å²	147.9	69%	0.69	77%	0.772	S	S	*	*			cis	-169.7	-177.8	13.7	-120.1	-23.5	0	0	0	109.1
611	T	29.8	Very low	33.4	Very low	125 Å²	125	148.6 Å²	148.6	77%	0.767	78%	0.779	S	S	*	*			trans	97.8	126.3	162.9	72.3	0	0	0	0	115.3
612	T	33.7	Very low	33.1	Very low	134 Å²	134	147.4 Å²	147.4	82%	0.822	78%	0.782	S	S	*	*			cis	-166.6	178.1	29.3	20.9	0	0	0	0	110.7
613	P	37.8	Very low	32.8	Very low	96 Å²	96	150.5 Å²	150.5	62%	0.623	78%	0.784	S	S	*	*			trans	-119.2	171.5	-139.9	40.1	-29.1	0	0	0	119.7
614	Y	30.7	Very low	32.4	Very low	217 Å²	217	151.1 Å²	151.1	85%	0.851	78%	0.783	S	S	*	*			trans	82.7	164.7	158	-67.4	-69.5	0	0	0	119.6
615	P	45.6	Very low	31.9	Very low	96 Å²	96	151.4 Å²	151.4	62%	0.623	78%	0.78	S	S	*	*				-134.8	170.8	-74.3	35.7	-15.8	0	0	0	112.8
616	Y	28.8	Very low	31.7	Very low	227 Å²	227	153 Å²	153	89%	0.89	78%	0.78	S	S	*	*			trans	-176.1	138.7	132.2	-107.1	-77.2	0	0	0	112.3
617	T	29	Very low	32.4	Very low	110 Å²	110	150.6 Å²	150.6	68%	0.675	78%	0.775	S	S	*	*			trans	-76	152.2	-170	49.2	0	0	0	0	116.1
618	K	29	Very low	32.1	Very low	181 Å²	181	150.2 Å²	150.2	79%	0.787	78%	0.775	S	S	*	*				-176.4	126.4	109.1	-100.6	173.2	-175.7	174.2	0	115.7
619	R	26	Very low	32	Very low	232 Å²	232	149.7 Å²	149.7	88%	0.875	77%	0.769	S	S	*	*			trans	77.4	106.8	141.4	-74.5	-177.8	178.2	179.4	-1.9	122.4
620	F	30.2	Very low	32	Very low	203 Å²	203	148.4 Å²	148.4	89%	0.89	77%	0.773	S	S	*	*			trans	-87.1	-175.9	150.3	-86.3	-84.1	0	0	0	111.1
621	P	41	Very low	31.9	Very low	124 Å²	124	152.1 Å²	152.1	81%	0.805	78%	0.777	S	S	*	*			cis	-138.7	176.4	-0.5	23.7	1.8	0	0	0	116.5
622	G	27.7	Very low	31.9	Very low	74 Å²	74	152.8 Å²	152.8	76%	0.763	77%	0.772	S	S	*	*			trans	131.4	90.4	134.6	0	0	0	0	0	120.9
623	K	30.7	Very low	32.3	Very low	194 Å²	194	152.1 Å²	152.1	84%	0.843	77%	0.77	S	S	*	*			trans	9.6	126.9	131.6	-94.2	-179.4	178.5	179.2	0	120.7
624	N	29.8	Very low	31.8	Very low	136 Å²	136	150.7 Å²	150.7	73%	0.727	77%	0.772	S	S	*	*				158.9	133.7	106.1	-87.3	-15.1	0	0	0	115.4
625	N	27.4	Very low	31.9	Very low	136 Å²	136	146.9 Å²	146.9	73%	0.727	77%	0.771	S	S	*	*			trans	62.6	108.4	138.9	-72.3	6.9	0	0	0	125
626	W	28.1	Very low	31.4	Very low	237 Å²	237	148.5 Å²	148.5	90%	0.898	78%	0.781	S	S	*	*				68	166.6	115	-100.8	33.1	0	0	0	121.1
627	P	47.9	Very low	31.4	Very low	100 Å²	100	143.3 Å²	143.3	65%	0.649	78%	0.779	S	S	*	*				-138.5	179.8	-61.3	38.1	-18.1	0	0	0	112.4
628	S	27.7	Very low	31.4	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	78%	0.782	S	S	*	*			trans	-179.3	107.4	150.1	-169.5	0	0	0	0	110.9
629	T	29.6	Very low	31.3	Very low	119 Å²	119	140.8 Å²	140.8	73%	0.73	78%	0.782	S	S	*	*				66.5	122.9	93.3	78.6	0	0	0	0	117.9
630	T	29.9	Very low	31.5	Very low	147 Å²	147	135.1 Å²	135.1	90%	0.902	77%	0.773	S	S	*	*				-162.3	144.2	110	17.4	0	0	0	0	110.1
631	R	28.8	Very low	31.4	Very low	206 Å²	206	134.1 Å²	134.1	78%	0.777	77%	0.768	S	S	*	*			trans	-144.4	163.1	-168.6	-161.8	175.4	-172.4	-143.9	18.2	107
632	H	31.2	Very low	30.7	Very low	140 Å²	140	136.6 Å²	136.6	65%	0.648	77%	0.769	S	S	*	*			trans	94.2	160.2	152.8	-68.4	-56	0	0	0	119
633	P	41.6	Very low	30.6	Very low	120 Å²	120	139 Å²	139	78%	0.779	77%	0.769	S	S	*	*			cis	-136.2	167.2	-6.4	15.5	9.9	0	0	0	116.2
634	G	26.2	Very low	30.5	Very low	65 Å²	65	135.4 Å²	135.4	67%	0.67	76%	0.764	S	S	*	*			trans	-108.9	140.2	153	0	0	0	0	0	112.1
635	V	33.3	Very low	30.4	Very low	138 Å²	138	135.2 Å²	135.2	84%	0.836	76%	0.763	S	S	*	*			trans	61.5	140.4	151.8	-164.2	0	0	0	0	121.3
636	P	35.8	Very low	30.4	Very low	129 Å²	129	135.7 Å²	135.7	84%	0.838	76%	0.76	S	S	*	*			trans	-118.7	153.4	142.4	31.3	-16.6	0	0	0	114.2
637	S	28.2	Very low	30.4	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	75%	0.753	S	S	*	*			trans	-102.6	151.6	-173.3	-179.2	0	0	0	0	113
638	A	29	Very low	29.4	Very low	89 Å²	89	137.5 Å²	137.5	74%	0.736	76%	0.759	S	S	*	*			trans	-158.3	124.8	151.9	0	0	0	0	0	114.5
639	N	28.1	Very low	29.4	Very low	149 Å²	149	138.1 Å²	138.1	80%	0.797	76%	0.764	S	S	*	*			trans	87.3	103.6	137.7	-79.6	-3.5	0	0	0	125.3
640	T	28.3	Very low	29.2	Very low	112 Å²	112	136.3 Å²	136.3	69%	0.687	77%	0.769	S	S	*	*				78.3	111.3	118.5	-20.6	0	0	0	0	122
641	K	28	Very low	29.2	Very low	182 Å²	182	136.2 Å²	136.2	79%	0.791	76%	0.762	S	S	*	*				158.1	108.3	113.4	-86.3	-177.8	179.3	176.6	0	109.6
642	Q	27.2	Very low	29.2	Very low	177 Å²	177	132.9 Å²	132.9	83%	0.827	76%	0.759	S	S	*	*				68.8	105.6	92.9	-118	-175.6	3.4	0	0	115.1
643	T	26.6	Very low	29.1	Very low	124 Å²	124	131.7 Å²	131.7	76%	0.761	76%	0.762	S	S	*	*				172.3	106.6	120.1	33.8	0	0	0	0	108.6
644	T	27.9	Very low	28.5	Very low	118 Å²	118	134.4 Å²	134.4	72%	0.724	76%	0.764	S	S	*	*				53.1	120.7	101	42.1	0	0	0	0	113.3
645	D	27.3	Very low	28.8	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	77%	0.773	S	S	*	*				-155.2	135.9	51.8	-91.8	-39.9	0	0	0	112
646	Q	28	Very low	28.5	Very low	146 Å²	146	138.6 Å²	138.6	68%	0.682	77%	0.77	S	S	*	*				50	121	96.6	-78.6	-162.4	37.6	0	0	113.8
647	R	27.4	Very low	28.2	Very low	198 Å²	198	138.7 Å²	138.7	75%	0.747	77%	0.768	S	S	*	*			cis	-175.9	142.4	45.6	-116.9	165.9	-168.1	-164.6	0.9	112
648	K	27.8	Very low	28.1	Very low	178 Å²	178	139.8 Å²	139.8	77%	0.774	77%	0.769	S	S	*	*			trans	53.3	110.7	134.5	-77	-175.8	173.3	-175.3	0	119.6
649	S	26.6	Very low	28.1	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	77%	0.774	S	S	*	*				77.6	121.2	73.8	80.2	0	0	0	0	114.5
650	G	26.6	Very low	28.3	Very low	81 Å²	81	143.7 Å²	143.7	84%	0.835	77%	0.773	S	S	*	*			trans	167	87	166.1	0	0	0	0	0	114.1
651	D	28.3	Very low	28.6	Very low	144 Å²	144	147.4 Å²	147.4	77%	0.77	78%	0.782	S	S	*	*			trans	-50	145.7	170.7	-160.7	10.8	0	0	0	115.6
652	L	29.8	Very low	29	Very low	137 Å²	137	144.6 Å²	144.6	72%	0.717	78%	0.781	S	S	*	*				151.2	115.5	125.8	-78.8	167.5	0	0	0	115.3
653	T	28.7	Very low	29.7	Very low	114 Å²	114	145.6 Å²	145.6	70%	0.699	78%	0.782	S	S	*	*			trans	48.2	129.6	135.1	56.7	0	0	0	0	124.1
654	E	29.1	Very low	30.7	Very low	178 Å²	178	150.7 Å²	150.7	83%	0.832	79%	0.788	S	S	*	*			trans	96.2	118.9	142.4	-81.7	-179.1	174.4	0	0	121.7
655	E	33.5	Very low	31.6	Very low	180 Å²	180	151.7 Å²	151.7	84%	0.841	79%	0.788	S	S	*	*			trans	31.5	114.3	152.7	-68.9	-173.1	150.3	0	0	119.8
656	S	27.2	Very low	32.7	Very low	111 Å²	111	155.3 Å²	155.3	78%	0.776	79%	0.794	S	S	*	*			trans	-176.6	119.5	139	-79.9	0	0	0	0	112
657	T	27.8	Very low	34.3	Very low	130 Å²	130	152.7 Å²	152.7	80%	0.798	79%	0.792	S	S	*	*			trans	23.1	102.4	142.2	38.9	0	0	0	0	118.3	M659	T657-M659 PolarHBondContact O-N 3.33Å
658	V	27.8	Very low	36.1	Very low	142 Å²	142	148.1 Å²	148.1	86%	0.861	79%	0.786	S	S	*	*			trans	-75.9	102.2	163.3	178.6	0	0	0	0	108.7
659	M	28.9	Very low	37.9	Very low	172 Å²	172	146.6 Å²	146.6	85%	0.847	78%	0.781	S	S	*	*			trans	-67.7	128.4	157.1	-71.5	-155.2	-160.3	0	0	108.9	T657 E661	T657-M659 PolarHBondContact O-N 3.33Å; M659-E661 PolarHBondContact O-N 3.02Å
660	I	32	Very low	40	Very low	149 Å²	149	146.6 Å²	146.6	76%	0.764	77%	0.772	S	S	*	*			trans	-70.9	106.4	168.3	-66.6	170.6	0	0	0	107.8	T662	I660-T662 WeakPolarHBondContact CG2-OG1 3.46Å; I660-T662 PolarHBondContact O-N 3.4Å
661	E	34.7	Very low	42	Very low	190 Å²	190	146 Å²	146	89%	0.888	76%	0.755	S	S	*	*			trans	-86.4	87.9	169.2	-166.7	166.9	-154.7	0	0	109.1	M659	M659-E661 PolarHBondContact O-N 3.02Å
662	T	35.6	Very low	44.5	Very low	123 Å²	123	143.4 Å²	143.4	76%	0.755	74%	0.744	S	S	*	*			trans	-143.9	77.3	160.5	39.1	0	0	0	0	109.6	I660	I660-T662 WeakPolarHBondContact CG2-OG1 3.46Å; I660-T662 PolarHBondContact O-N 3.4Å
663	K	42.7	Very low	47.1	Very low	197 Å²	197	141.5 Å²	141.5	86%	0.857	74%	0.738	S	S	*	*			trans	-150.6	93	163.1	-155.2	175.5	-172.3	175.8	0	112.2
664	R	48	Very low	49.9	Very low	232 Å²	232	141.2 Å²	141.2	88%	0.875	73%	0.731	S	S	*	*	S	Bend	trans	159.2	96.4	158.3	-90.6	156.2	-175.9	167	2.4	103.6
665	D	45.6	Very low	52.5	Low	139 Å²	139	135.4 Å²	135.4	74%	0.743	71%	0.714	S	S	*	*	S	Bend		-163.6	85.4	82	-71.5	-37	0	0	0	112
666	Y	50.3	Low	55.3	Low	208 Å²	208	130.7 Å²	130.7	82%	0.816	70%	0.697	S	S	*	*	S	Bend	trans	-120.6	3.5	171.7	-95.3	-84.1	0	0	0	113.3
667	S	61.4	Low	58.3	Low	91 Å²	91	127.3 Å²	127.3	64%	0.636	68%	0.68	S	S	*	*	H	α-helix	trans	-87.3	-21.8	-167.5	-165	0	0	0	0	114.4	S671	S667-S671 WeakPolarHBondContact O-CB 3.25Å; S667-S671 PolarHBondContact O-OG 2.85Å
668	T	65.4	Low	61.1	Low	102 Å²	102	123.9 Å²	123.9	63%	0.626	66%	0.664	S	S	*	*	H	α-helix	trans	-89.3	-46.9	-174.2	43.1	0	0	0	0	112.1	S671 V672	T668-S671 PolarHBondContact O-N 2.92Å; T668-V672 WeakPolarHBondContact O-CG2 3.48Å; T668-V672 PolarHBondContact O-N 3.43Å
669	E	66.3	Low	64	Low	146 Å²	146	120.6 Å²	120.6	68%	0.682	65%	0.648	S	S	*	*	H	α-helix	trans	-68.1	-38.8	-177.6	-63.5	-177.2	171.8	0	0	112.9	V672 T673	E669-V672 PolarHBondContact O-N 3Å; E669-T673 WeakPolarHBondContact O-CB 3.35Å; E669-T673 PolarHBondContact O-N 3.5Å; E669-T673 PolarHBondContact O-OG1 3.26Å
670	L	69.6	Low	66.8	Low	112 Å²	112	117.2 Å²	117.2	59%	0.586	63%	0.633	S	S	*	*	H	α-helix	trans	-66.3	-39.9	175.3	-169.5	71	0	0	0	111.3	T673 I674	L670-T673 PolarHBondContact O-N 3.18Å; L670-I674 HydrophobicContact CG-CD1 3.98Å; L670-I674 WeakPolarHBondContact O-CB 3.31Å; L670-I674 WeakPolarHBondContact O-CD1 3.41Å; L670-I674 VanDerWaalsContact O-CG1 3.23Å; L670-I674 WeakPolarHBondContact O-CG1 3.39Å; L670-I674 PolarHBondContact O-N 2.85Å
671	S	69.3	Low	69.6	Low	69 Å²	69	115.5 Å²	115.5	48%	0.483	63%	0.625	S	S	.	*	H	α-helix	trans	-67	-38.6	178.4	-61.5	0	0	0	0	112	S667 T668 A675	S667-S671 WeakPolarHBondContact O-CB 3.25Å; S667-S671 PolarHBondContact O-OG 2.85Å; T668-S671 PolarHBondContact O-N 2.92Å; S671-A675 WeakPolarHBondContact O-CB 3.13Å; S671-A675 PolarHBondContact O-N 3.1Å
672	V	81.4	Confident	72.2	Confident	90 Å²	90	112.8 Å²	112.8	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-66.4	-43.5	175.2	173.2	0	0	0	0	110.7	T668 E669 I674 A675 V676	T668-V672 WeakPolarHBondContact O-CG2 3.48Å; T668-V672 PolarHBondContact O-N 3.43Å; E669-V672 PolarHBondContact O-N 3Å; V672-I674 PolarHBondContact O-N 3.47Å; V672-A675 PolarHBondContact O-N 3.41Å; V672-V676 HydrophobicContact CG1-CG2 4.38Å; V672-V676 WeakPolarHBondContact O-CG2 3.43Å; V672-V676 PolarHBondContact O-N 2.93Å
673	T	84.8	Confident	74.8	Confident	96 Å²	96	112.1 Å²	112.1	59%	0.589	60%	0.601	S	S	*	*	H	α-helix	trans	-63.1	-42.4	178.9	-54.2	0	0	0	0	111.6	E669 L670 V676 G677	E669-T673 WeakPolarHBondContact O-CB 3.35Å; E669-T673 PolarHBondContact O-N 3.5Å; E669-T673 PolarHBondContact O-OG1 3.26Å; L670-T673 PolarHBondContact O-N 3.18Å; T673-V676 PolarHBondContact O-N 3.35Å; T673-G677 PolarHBondContact O-N 2.93Å
674	I	86.9	Confident	76.8	Confident	109 Å²	109	107.4 Å²	107.4	56%	0.559	59%	0.586	S	S	*	*	H	α-helix	trans	-64.8	-42	175.6	-68.1	166.9	0	0	0	110.9	L670 V672 G677 A678	L670-I674 HydrophobicContact CG-CD1 3.98Å; L670-I674 WeakPolarHBondContact O-CB 3.31Å; L670-I674 WeakPolarHBondContact O-CD1 3.41Å; L670-I674 VanDerWaalsContact O-CG1 3.23Å; L670-I674 WeakPolarHBondContact O-CG1 3.39Å; L670-I674 PolarHBondContact O-N 2.85Å; V672-I674 PolarHBondContact O-N 3.47Å; I674-G677 PolarHBondContact O-N 3.27Å; I674-A678 WeakPolarHBondContact O-CB 3.29Å; I674-A678 PolarHBondContact O-N 2.86Å
675	A	84.2	Confident	78.8	Confident	56 Å²	56	101 Å²	101	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-65	-41.5	179.1	0	0	0	0	0	112.5	S671 V672 S679	S671-A675 WeakPolarHBondContact O-CB 3.13Å; S671-A675 PolarHBondContact O-N 3.1Å; V672-A675 PolarHBondContact O-N 3.41Å; A675-S679 WeakPolarHBondContact O-CB 3.2Å; A675-S679 PolarHBondContact O-N 2.87Å; A675-S679 PolarHBondContact O-OG 3.49Å
676	V	91.6	Very high	80.9	Confident	80 Å²	80	98.7 Å²	98.7	49%	0.485	56%	0.555	S	S	.	*	H	α-helix	trans	-67.3	-44.7	176	174.7	0	0	0	0	110.6	V672 T673 A678 S679 L680	V672-V676 HydrophobicContact CG1-CG2 4.38Å; V672-V676 WeakPolarHBondContact O-CG2 3.43Å; V672-V676 PolarHBondContact O-N 2.93Å; T673-V676 PolarHBondContact O-N 3.35Å; V676-A678 PolarHBondContact O-N 3.27Å; V676-S679 PolarHBondContact O-N 2.98Å; V676-L680 HydrophobicContact CG1-CD1 4.15Å; V676-L680 WeakPolarHBondContact O-CG 3.33Å; V676-L680 PolarHBondContact O-N 2.69Å
677	G	89.8	Confident	82.7	Confident	40 Å²	40	91 Å²	91	41%	0.412	53%	0.534	S	S	.	.	H	α-helix	trans	-59.9	-45.2	176.8	0	0	0	0	0	112.9	T673 I674 S679 L680 L681	T673-G677 PolarHBondContact O-N 2.93Å; I674-G677 PolarHBondContact O-N 3.27Å; G677-S679 VanDerWaalsContact C-N 3.33Å; G677-S679 PolarHBondContact O-N 2.93Å; G677-L680 PolarHBondContact O-N 3.03Å; G677-L681 PolarHBondContact O-N 3.16Å
678	A	86.9	Confident	84	Confident	58 Å²	58	93.8 Å²	93.8	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-64.7	-36.6	176.8	0	0	0	0	0	112.5	I674 V676 L681 F682	I674-A678 WeakPolarHBondContact O-CB 3.29Å; I674-A678 PolarHBondContact O-N 2.86Å; V676-A678 PolarHBondContact O-N 3.27Å; A678-L681 PolarHBondContact O-N 3.46Å; A678-F682 PolarHBondContact O-N 2.97Å
679	S	88.2	Confident	85.1	Confident	73 Å²	73	91.5 Å²	91.5	51%	0.51	53%	0.527	S	S	.	.	H	α-helix	trans	-67.6	-41.3	178.1	-59.4	0	0	0	0	112.1	A675 V676 G677 F682 L683	A675-S679 WeakPolarHBondContact O-CB 3.2Å; A675-S679 PolarHBondContact O-N 2.87Å; A675-S679 PolarHBondContact O-OG 3.49Å; V676-S679 PolarHBondContact O-N 2.98Å; G677-S679 VanDerWaalsContact C-N 3.33Å; G677-S679 PolarHBondContact O-N 2.93Å; S679-F682 PolarHBondContact O-N 3.46Å; S679-L683 PolarHBondContact O-N 2.89Å
680	L	89.3	Confident	86	Confident	101 Å²	101	87.5 Å²	87.5	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-67.2	-38.8	175.8	-71.9	172.5	0	0	0	112	V676 G677 F682 L683 N684	V676-L680 HydrophobicContact CG1-CD1 4.15Å; V676-L680 WeakPolarHBondContact O-CG 3.33Å; V676-L680 PolarHBondContact O-N 2.69Å; G677-L680 PolarHBondContact O-N 3.03Å; L680-F682 VanDerWaalsContact C-N 3.34Å; L680-F682 PolarHBondContact O-N 3.47Å; L680-L683 PolarHBondContact O-N 3.35Å; L680-N684 PolarHBondContact O-N 3.43Å; L680-N684 PolarHBondContact O-ND2 3.44Å
681	L	89.7	Confident	86.7	Confident	114 Å²	114	87.5 Å²	87.5	60%	0.597	52%	0.519	S	S	*	.	H	α-helix	trans	-60.1	-45.6	173.5	-168.9	89	0	0	0	111	G677 A678 L683 N684 I685	G677-L681 PolarHBondContact O-N 3.16Å; A678-L681 PolarHBondContact O-N 3.46Å; L681-L683 PolarHBondContact O-N 2.82Å; L681-N684 PolarHBondContact O-N 3.01Å; L681-I685 HydrophobicContact CD2-CD1 4.32Å; L681-I685 HydrophobicContact CG-CD1 4.23Å; L681-I685 WeakPolarHBondContact O-CG1 3.45Å; L681-I685 PolarHBondContact O-N 3.33Å
682	F	89.5	Confident	87.5	Confident	132 Å²	132	92.3 Å²	92.3	58%	0.579	53%	0.527	S	S	*	.	H	α-helix	trans	-65	-40.1	179.7	-161.6	-100.3	0	0	0	112.2	A678 S679 L680 I685 L686	A678-F682 PolarHBondContact O-N 2.97Å; S679-F682 PolarHBondContact O-N 3.46Å; L680-F682 VanDerWaalsContact C-N 3.34Å; L680-F682 PolarHBondContact O-N 3.47Å; F682-I685 PolarHBondContact O-N 3.23Å; F682-L686 HydrophobicContact CD1-CD1 3.78Å; F682-L686 HydrophobicContact CD1-CG 4.24Å; F682-L686 HydrophobicContact CE1-CD1 3.67Å; F682-L686 HydrophobicContact CE1-CD2 4.47Å; F682-L686 HydrophobicContact CE1-CG 4.12Å; F682-L686 WeakPolarHBondContact O-CG 3.2Å; F682-L686 PolarHBondContact O-N 3.22Å
683	L	90.4	Very high	87.6	Confident	110 Å²	110	96.1 Å²	96.1	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-61.7	-42.6	173.6	-94	166.1	0	0	0	112.4	S679 L680 L681 L686 A687	S679-L683 PolarHBondContact O-N 2.89Å; L680-L683 PolarHBondContact O-N 3.35Å; L681-L683 PolarHBondContact O-N 2.82Å; L683-L686 PolarHBondContact O-N 3.36Å; L683-A687 WeakPolarHBondContact O-CB 3.48Å; L683-A687 PolarHBondContact O-N 3.4Å
684	N	83.7	Confident	87.4	Confident	98 Å²	98	97.5 Å²	97.5	52%	0.524	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-41.9	176.6	-79.1	-28.8	0	0	0	111.8	L680 L681 L686 A687 F688	L680-N684 PolarHBondContact O-N 3.43Å; L680-N684 PolarHBondContact O-ND2 3.44Å; L681-N684 PolarHBondContact O-N 3.01Å; N684-L686 VanDerWaalsContact C-N 3.34Å; N684-L686 PolarHBondContact O-N 3.39Å; N684-A687 PolarHBondContact O-N 2.94Å; N684-F688 VanDerWaalsContact O-CD2 3.23Å; N684-F688 WeakPolarHBondContact O-CD2 3.27Å; N684-F688 PolarHBondContact O-N 3.01Å
685	I	90.8	Very high	87	Confident	96 Å²	96	98.7 Å²	98.7	49%	0.492	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-43.8	175.7	-68.9	167.6	0	0	0	110.9	L681 F682 F688 A689	L681-I685 HydrophobicContact CD2-CD1 4.32Å; L681-I685 HydrophobicContact CG-CD1 4.23Å; L681-I685 WeakPolarHBondContact O-CG1 3.45Å; L681-I685 PolarHBondContact O-N 3.33Å; F682-I685 PolarHBondContact O-N 3.23Å; I685-F688 PolarHBondContact O-N 3Å; I685-A689 WeakPolarHBondContact O-CB 3.34Å; I685-A689 PolarHBondContact O-N 2.83Å
686	L	89.6	Confident	86.8	Confident	92 Å²	92	99 Å²	99	48%	0.482	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-39.7	176.6	-71.7	175.4	0	0	0	112.3	F682 L683 N684 A689 A690	F682-L686 HydrophobicContact CD1-CD1 3.78Å; F682-L686 HydrophobicContact CD1-CG 4.24Å; F682-L686 HydrophobicContact CE1-CD1 3.67Å; F682-L686 HydrophobicContact CE1-CD2 4.47Å; F682-L686 HydrophobicContact CE1-CG 4.12Å; F682-L686 WeakPolarHBondContact O-CG 3.2Å; F682-L686 PolarHBondContact O-N 3.22Å; L683-L686 PolarHBondContact O-N 3.36Å; N684-L686 VanDerWaalsContact C-N 3.34Å; N684-L686 PolarHBondContact O-N 3.39Å; L686-A689 PolarHBondContact O-N 3.14Å; L686-A690 WeakPolarHBondContact O-CB 3.34Å; L686-A690 PolarHBondContact O-N 3.03Å
687	A	88.3	Confident	86	Confident	47 Å²	47	101 Å²	101	39%	0.388	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.9	0	0	0	0	0	111.7	L683 N684 A690 L691	L683-A687 WeakPolarHBondContact O-CB 3.48Å; L683-A687 PolarHBondContact O-N 3.4Å; N684-A687 PolarHBondContact O-N 2.94Å; A687-A690 PolarHBondContact O-N 2.85Å; A687-L691 WeakPolarHBondContact O-CB 3.33Å; A687-L691 WeakPolarHBondContact O-CG 3.4Å; A687-L691 PolarHBondContact O-N 2.79Å
688	F	88.1	Confident	85.1	Confident	149 Å²	149	106.9 Å²	106.9	65%	0.654	54%	0.538	S	S	*	.	H	α-helix	trans	-65.6	-41	174.9	-85.2	-70.4	0	0	0	112.4	N684 I685 A690 L691 Y692	N684-F688 VanDerWaalsContact O-CD2 3.23Å; N684-F688 WeakPolarHBondContact O-CD2 3.27Å; N684-F688 PolarHBondContact O-N 3.01Å; I685-F688 PolarHBondContact O-N 3Å; F688-A690 VanDerWaalsContact C-N 3.35Å; F688-A690 PolarHBondContact O-N 3.5Å; F688-L691 PolarHBondContact O-N 3.08Å; F688-Y692 VanDerWaalsContact O-CB 3.3Å; F688-Y692 WeakPolarHBondContact O-CB 3.34Å; F688-Y692 PolarHBondContact O-N 3.42Å
689	A	88.3	Confident	84.1	Confident	54 Å²	54	112.2 Å²	112.2	45%	0.446	55%	0.546	S	S	.	.	H	α-helix	trans	-62.8	-41.4	175.4	0	0	0	0	0	111.7	I685 L686 Y692 Y693	I685-A689 WeakPolarHBondContact O-CB 3.34Å; I685-A689 PolarHBondContact O-N 2.83Å; L686-A689 PolarHBondContact O-N 3.14Å; A689-Y692 PolarHBondContact O-N 2.57Å; A689-Y693 WeakPolarHBondContact O-CB 3.42Å; A689-Y693 PolarHBondContact O-N 3.1Å
690	A	85.9	Confident	82.8	Confident	62 Å²	62	115 Å²	115	51%	0.512	55%	0.55	S	S	.	*	H	α-helix	trans	-65.6	-41.3	176.1	0	0	0	0	0	112.2	L686 A687 F688 Y693 K694	L686-A690 WeakPolarHBondContact O-CB 3.34Å; L686-A690 PolarHBondContact O-N 3.03Å; A687-A690 PolarHBondContact O-N 2.85Å; F688-A690 VanDerWaalsContact C-N 3.35Å; F688-A690 PolarHBondContact O-N 3.5Å; A690-Y693 PolarHBondContact O-N 3.39Å; A690-K694 VanDerWaalsContact O-CB 3.31Å; A690-K694 WeakPolarHBondContact O-CB 3.28Å; A690-K694 PolarHBondContact O-N 3.37Å
691	L	85	Confident	81.3	Confident	112 Å²	112	116 Å²	116	59%	0.586	55%	0.552	S	S	*	*	H	α-helix	trans	-65.9	-40.5	174.6	-75.9	171.2	0	0	0	112	A687 F688 K694 K695	A687-L691 WeakPolarHBondContact O-CB 3.33Å; A687-L691 WeakPolarHBondContact O-CG 3.4Å; A687-L691 PolarHBondContact O-N 2.79Å; F688-L691 PolarHBondContact O-N 3.08Å; L691-K694 PolarHBondContact O-N 3.39Å; L691-K695 WeakPolarHBondContact O-CB 3.24Å; L691-K695 PolarHBondContact O-N 3.06Å
692	Y	86.1	Confident	79.7	Confident	169 Å²	169	114.5 Å²	114.5	66%	0.663	55%	0.551	S	S	*	*	H	α-helix	trans	-63.1	-47.1	175.7	-173	-92.3	0	0	0	111	F688 A689 K694 K695 D696	F688-Y692 VanDerWaalsContact O-CB 3.3Å; F688-Y692 WeakPolarHBondContact O-CB 3.34Å; F688-Y692 PolarHBondContact O-N 3.42Å; A689-Y692 PolarHBondContact O-N 2.57Å; Y692-K694 VanDerWaalsContact C-N 3.33Å; Y692-K694 PolarHBondContact O-N 3.19Å; Y692-K695 WeakPolarHBondContact O-CB 3.23Å; Y692-K695 PolarHBondContact O-N 3.46Å; Y692-K695 VanDerWaalsContact O-N 3.14Å; Y692-D696 WeakPolarHBondContact O-CB 3.33Å; Y692-D696 PolarHBondContact O-N 3.42Å
693	Y	82.8	Confident	77.8	Confident	170 Å²	170	115.2 Å²	115.2	67%	0.667	56%	0.561	S	S	*	*	H	α-helix	trans	-62.4	-39.3	176.4	-168	-97.2	0	0	0	112.1	A689 A690 K695 D696 K697	A689-Y693 WeakPolarHBondContact O-CB 3.42Å; A689-Y693 PolarHBondContact O-N 3.1Å; A690-Y693 PolarHBondContact O-N 3.39Å; Y693-K695 VanDerWaalsContact C-N 3.33Å; Y693-K695 PolarHBondContact O-N 3.33Å; Y693-D696 PolarHBondContact O-N 2.63Å; Y693-K697 WeakPolarHBondContact O-CB 3.21Å; Y693-K697 PolarHBondContact O-N 3.38Å
694	K	79.8	Confident	75.7	Confident	126 Å²	126	120.9 Å²	120.9	55%	0.548	58%	0.575	S	S	.	*	H	α-helix	trans	-66.9	-32.7	175.5	-164.1	176.5	-172.7	178.7	0	112.3	A690 L691 Y692 R698	A690-K694 VanDerWaalsContact O-CB 3.31Å; A690-K694 WeakPolarHBondContact O-CB 3.28Å; A690-K694 PolarHBondContact O-N 3.37Å; L691-K694 PolarHBondContact O-N 3.39Å; Y692-K694 VanDerWaalsContact C-N 3.33Å; Y692-K694 PolarHBondContact O-N 3.19Å; K694-R698 WeakPolarHBondContact O-CG 3.35Å; K694-R698 PolarHBondContact O-N 2.92Å
695	K	79.8	Confident	73.9	Confident	133 Å²	133	126.8 Å²	126.8	58%	0.578	59%	0.59	S	S	*	*	H	α-helix	trans	-73.4	-40.5	175	-175.2	178.2	179.5	177.4	0	111.6	L691 Y692 Y693 R698 R699	L691-K695 WeakPolarHBondContact O-CB 3.24Å; L691-K695 PolarHBondContact O-N 3.06Å; Y692-K695 WeakPolarHBondContact O-CB 3.23Å; Y692-K695 PolarHBondContact O-N 3.46Å; Y692-K695 VanDerWaalsContact O-N 3.14Å; Y693-K695 VanDerWaalsContact C-N 3.33Å; Y693-K695 PolarHBondContact O-N 3.33Å; K695-R698 PolarHBondContact O-N 2.88Å; K695-R699 PolarHBondContact O-N 3.44Å; K695-R699 VanDerWaalsContact O-N 3.1Å
696	D	79.4	Confident	71.3	Confident	63 Å²	63	128.3 Å²	128.3	34%	0.337	60%	0.603	S	S	.	*	H	α-helix	trans	-69	-40.4	179.5	-165.4	50.8	0	0	0	112.1	Y692 Y693 R698 R699 H700	Y692-D696 WeakPolarHBondContact O-CB 3.33Å; Y692-D696 PolarHBondContact O-N 3.42Å; Y693-D696 PolarHBondContact O-N 2.63Å; D696-R698 VanDerWaalsContact C-N 3.31Å; D696-R698 PolarHBondContact O-N 3.04Å; D696-R699 WeakPolarHBondContact O-CB 3.34Å; D696-R699 PolarHBondContact O-N 3.07Å; D696-R699 VanDerWaalsContact O-N 3.09Å; D696-H700 PolarHBondContact O-N 3.25Å; D696-H700 IonicContact OD2-CD2 3.08Å
697	K	74.3	Confident	68.9	Low	123 Å²	123	129.6 Å²	129.6	54%	0.535	62%	0.617	S	S	.	*	H	α-helix	trans	-58.3	-40.3	171.9	-170.8	175.9	178.4	179.8	0	112.6	Y693 H700 E701	Y693-K697 WeakPolarHBondContact O-CB 3.21Å; Y693-K697 PolarHBondContact O-N 3.38Å; K697-H700 PolarHBondContact O-N 3.43Å; K697-E701 PolarHBondContact O-N 3.27Å; K697-E701 VanDerWaalsContact O-N 3.09Å
698	R	70.8	Confident	66.4	Low	162 Å²	162	134 Å²	134	61%	0.611	64%	0.639	S	S	*	*	H	α-helix	trans	-68.4	-34.1	175.3	-71.1	-172.9	-151	-166.1	8	112.8	K694 K695 D696 E701 S702	K694-R698 WeakPolarHBondContact O-CG 3.35Å; K694-R698 PolarHBondContact O-N 2.92Å; K695-R698 PolarHBondContact O-N 2.88Å; D696-R698 VanDerWaalsContact C-N 3.31Å; D696-R698 PolarHBondContact O-N 3.04Å; R698-E701 PolarHBondContact O-N 2.64Å; R698-S702 WeakPolarHBondContact O-CB 3.13Å; R698-S702 PolarHBondContact O-N 3.11Å
699	R	66.6	Low	64.1	Low	170 Å²	170	132.8 Å²	132.8	64%	0.642	65%	0.647	S	S	*	*	H	α-helix	trans	-66.9	-40.5	173.4	-83.3	-172.8	169.2	-168.5	-3.6	111.9	K695 D696 E701 S702 N703	K695-R699 PolarHBondContact O-N 3.44Å; K695-R699 VanDerWaalsContact O-N 3.1Å; D696-R699 WeakPolarHBondContact O-CB 3.34Å; D696-R699 PolarHBondContact O-N 3.07Å; D696-R699 VanDerWaalsContact O-N 3.09Å; R699-E701 VanDerWaalsContact C-N 3.35Å; R699-E701 PolarHBondContact O-N 2.58Å; R699-S702 WeakPolarHBondContact O-CB 3.48Å; R699-S702 PolarHBondContact O-N 3Å; R699-N703 PolarHBondContact O-N 3.48Å
700	H	60.6	Low	61.5	Low	132 Å²	132	140 Å²	140	61%	0.611	67%	0.671	S	S	*	*	H	α-helix	trans	-65.8	-34.7	175.7	-96.6	-69.9	0	0	0	113.1	D696 K697	D696-H700 PolarHBondContact O-N 3.25Å; D696-H700 IonicContact OD2-CD2 3.08Å; K697-H700 PolarHBondContact O-N 3.43Å
701	E	58.6	Low	58.9	Low	121 Å²	121	147.8 Å²	147.8	57%	0.565	69%	0.687	S	S	*	*	H	α-helix	trans	-71.7	-34.3	173	-76	173.4	179.5	0	0	112.7	K697 R698 R699 R704	K697-E701 PolarHBondContact O-N 3.27Å; K697-E701 VanDerWaalsContact O-N 3.09Å; R698-E701 PolarHBondContact O-N 2.64Å; R699-E701 VanDerWaalsContact C-N 3.35Å; R699-E701 PolarHBondContact O-N 2.58Å; E701-R704 PolarHBondContact O-N 3.03Å
702	S	54.9	Low	56.2	Low	83 Å²	83	148.9 Å²	148.9	58%	0.58	69%	0.693	S	S	*	*	H	α-helix	trans	-66.9	-35.2	174.6	-179.5	0	0	0	0	113.2	R698 R699 R704	R698-S702 WeakPolarHBondContact O-CB 3.13Å; R698-S702 PolarHBondContact O-N 3.11Å; R699-S702 WeakPolarHBondContact O-CB 3.48Å; R699-S702 PolarHBondContact O-N 3Å; S702-R704 PolarHBondContact O-N 2.91Å
703	N	49.4	Very low	53.6	Low	147 Å²	147	146 Å²	146	79%	0.786	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-3.7	-179.2	-101.3	1.8	0	0	0	114.3	R699	R699-N703 PolarHBondContact O-N 3.48Å
704	R	46.9	Very low	51.1	Low	230 Å²	230	142.6 Å²	142.6	87%	0.868	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	0.4	176.7	-123.5	177.8	175.4	-177.2	-2.1	113.8	E701 S702	E701-R704 PolarHBondContact O-N 3.03Å; S702-R704 PolarHBondContact O-N 2.91Å
705	R	45.1	Very low	49.5	Very low	221 Å²	221	142.3 Å²	142.3	83%	0.834	72%	0.716	S	S	*	*	S	Bend	trans	-130.9	57.8	-175.3	-67.6	-173.6	-178.4	171.7	1.2	113.9
706	V	37	Very low	47.1	Very low	128 Å²	128	140 Å²	140	78%	0.776	72%	0.722	S	S	*	*			trans	-155.8	122.8	153.6	-174.1	0	0	0	0	109.5
707	P	39.6	Very low	44.7	Very low	120 Å²	120	144 Å²	144	78%	0.779	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-88.5	140.8	164.1	5	13.9	0	0	0	111.7
708	T	36.5	Very low	42.5	Very low	138 Å²	138	144 Å²	144	85%	0.847	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-61.1	145.2	177	-9	0	0	0	0	113.5
709	P	38.9	Very low	40.5	Very low	124 Å²	124	141 Å²	141	81%	0.805	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-97.1	126.9	167.4	31	-21.1	0	0	0	112.1
710	Q	32.9	Very low	38.6	Very low	205 Å²	205	138.4 Å²	138.4	96%	0.958	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-88.8	152.2	165.4	-101	-178.7	-21.1	0	0	111.2
711	R	30.9	Very low	37.1	Very low	227 Å²	227	138.5 Å²	138.5	86%	0.857	77%	0.771	S	S	*	*			trans	-106.4	136.5	-168	-156.9	-164.7	175.9	160.6	-1.5	110.8
712	N	29.6	Very low	35.8	Very low	134 Å²	134	136.6 Å²	136.6	72%	0.717	78%	0.776	S	S	*	*			trans	129.9	120.1	140.7	-75.3	-15.8	0	0	0	118.9
713	S	30.5	Very low	34.6	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	79%	0.786	S	S	*	*			trans	71.7	107.7	132.7	64	0	0	0	0	124.2
714	A	30.7	Very low	33.5	Very low	97 Å²	97	139.6 Å²	139.6	80%	0.802	79%	0.785	S	S	*	*				77.1	165	129.9	0	0	0	0	0	120.2
715	P	46	Very low	32.7	Very low	121 Å²	121	135.1 Å²	135.1	79%	0.786	78%	0.783	S	S	*	*				-130	170.2	-91.3	35.2	-15.9	0	0	0	116.2
716	A	30.2	Very low	31.9	Very low	85 Å²	85	129.1 Å²	129.1	70%	0.702	78%	0.781	S	S	*	*			trans	61.8	116.4	154.2	0	0	0	0	0	120.9
717	N	28.8	Very low	31.4	Very low	146 Å²	146	130.4 Å²	130.4	78%	0.781	78%	0.778	S	S	*	*				162.2	144.7	111	-91	-19.4	0	0	0	114.6
718	T	28.8	Very low	30.8	Very low	122 Å²	122	132.2 Å²	132.2	75%	0.748	78%	0.778	S	S	*	*			trans	71.5	111.5	144.5	48.1	0	0	0	0	123
719	S	27.3	Very low	30.4	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	77%	0.771	S	S	*	*				72.2	132.6	121.2	69.1	0	0	0	0	123.8
720	T	28	Very low	29.8	Very low	116 Å²	116	131.1 Å²	131.1	71%	0.712	76%	0.762	S	S	*	*			trans	88.5	124.3	135.7	40.8	0	0	0	0	122.4
721	T	28.7	Very low	29.8	Very low	134 Å²	134	129.7 Å²	129.7	82%	0.822	76%	0.756	S	S	*	*			trans	65.4	150.1	141.6	53.7	0	0	0	0	118.8
722	A	30.2	Very low	29.8	Very low	80 Å²	80	126.3 Å²	126.3	66%	0.661	75%	0.749	S	S	*	*			cis	-177.7	149.8	-15.2	0	0	0	0	0	106.4
723	N	30.5	Very low	30	Very low	150 Å²	150	125.9 Å²	125.9	80%	0.802	75%	0.746	S	S	*	*			trans	67.3	153.5	148.2	-69.2	0.1	0	0	0	125.6
724	D	27.2	Very low	29.9	Very low	144 Å²	144	127.7 Å²	127.7	77%	0.77	75%	0.745	S	S	*	*			trans	82.6	110.3	163.4	-58.7	-21	0	0	0	118.6
725	V	30.1	Very low	29.9	Very low	136 Å²	136	127.2 Å²	127.2	82%	0.824	74%	0.735	S	S	*	*				77.1	108.8	54.4	-178.7	0	0	0	0	114.3
726	A	27.5	Very low	29	Very low	94 Å²	94	129.6 Å²	129.6	78%	0.777	74%	0.74	S	S	*	*			trans	171.1	103.6	144.1	0	0	0	0	0	108.2
727	H	27.3	Very low	28.9	Very low	155 Å²	155	134 Å²	134	72%	0.718	75%	0.747	S	S	*	*				66.2	112.8	73.2	-131.7	-54.9	0	0	0	116.2
728	M	26.9	Very low	29	Very low	159 Å²	159	135 Å²	135	78%	0.783	75%	0.748	S	S	*	*			trans	162.4	102.6	141.6	-81.5	-141.7	73.4	0	0	108
729	Q	26.8	Very low	29	Very low	150 Å²	150	137.7 Å²	137.7	70%	0.701	75%	0.75	S	S	*	*				49.3	128	83	-79.7	-177.8	-22.3	0	0	112.7
730	S	28	Very low	28.9	Very low	88 Å²	88	141.5 Å²	141.5	62%	0.615	76%	0.756	S	S	*	*			cis	-163.2	144.7	36.1	-36.4	0	0	0	0	110.5
731	E	32.1	Very low	28.8	Very low	176 Å²	176	144.4 Å²	144.4	82%	0.822	76%	0.762	S	S	*	*				79.9	134.7	112	-78.9	176.4	177.2	0	0	115.3
732	E	31.1	Very low	28.8	Very low	155 Å²	155	146.7 Å²	146.7	72%	0.724	76%	0.763	S	S	*	*			cis	-165.4	142.1	29.4	-120.3	-175.1	151.6	0	0	111.3
733	L	32.5	Very low	28.7	Very low	125 Å²	125	150 Å²	150	65%	0.654	77%	0.769	S	S	*	*			trans	59.3	143.3	130.9	-69.3	172.3	0	0	0	122.5
734	M	29.4	Very low	28.5	Very low	149 Å²	149	151.1 Å²	151.1	73%	0.734	77%	0.77	S	S	*	*			cis	-166.2	139.9	-1.8	-149.8	-165.2	-102.3	0	0	110
735	S	30.3	Very low	28.4	Very low	86 Å²	86	152.2 Å²	152.2	60%	0.601	77%	0.77	S	S	*	*			trans	35.8	136.1	140.1	69.4	0	0	0	0	123.7
736	L	26.9	Very low	28.2	Very low	171 Å²	171	153.4 Å²	153.4	90%	0.895	77%	0.767	S	S	*	*				-167.2	130.6	93.2	-99.7	158.5	0	0	0	111.4
737	Q	28.4	Very low	28.1	Very low	178 Å²	178	156.8 Å²	156.8	83%	0.832	77%	0.766	S	S	*	*			trans	-139.8	165.2	-179.5	-153.3	-177.9	6.8	0	0	108.1
738	M	30.2	Very low	28	Very low	166 Å²	166	158 Å²	158	82%	0.818	77%	0.771	S	S	*	*			trans	94.9	140.4	174.5	-58.9	-154.3	180	0	0	114.7
739	K	29.6	Very low	27.9	Very low	179 Å²	179	158 Å²	158	78%	0.778	77%	0.769	S	S	*	*			cis	-160	154	22	-139.8	166.4	177	178	0	105.7
740	Q	25.1	Very low	27.8	Very low	180 Å²	180	160.3 Å²	160.3	84%	0.841	78%	0.78	S	S	*	*				177.8	143.9	71.5	-168	153.4	-22.7	0	0	111
741	Q	25	Very low	27.5	Very low	178 Å²	178	161.8 Å²	161.8	83%	0.832	79%	0.789	S	S	*	*			trans	-125.2	168.7	173.2	-133.9	-178.4	-7.4	0	0	108.2
742	Q	30.6	Very low	27.1	Very low	181 Å²	181	162.9 Å²	162.9	85%	0.846	79%	0.794	S	S	*	*			trans	98.6	133.9	175.3	-69.6	178.9	-34.6	0	0	115.1
743	L	26.4	Very low	26.9	Very low	151 Å²	151	159.7 Å²	159.7	79%	0.791	79%	0.789	S	S	*	*			cis	-158.2	162.1	36.7	-115.8	132.1	0	0	0	113.3
744	E	26.6	Very low	26.5	Very low	172 Å²	172	159.9 Å²	159.9	80%	0.804	79%	0.79	S	S	*	*			trans	-87.3	161.8	-175.4	-59.3	164.3	133.7	0	0	115.1
745	H	24.9	Very low	26.4	Very low	168 Å²	168	160.9 Å²	160.9	78%	0.778	79%	0.793	S	S	*	*			trans	-160.3	128.1	135.4	-110.7	34.9	0	0	0	114.7
746	E	26.4	Very low	26.1	Very low	161 Å²	161	160.8 Å²	160.8	75%	0.752	79%	0.792	S	S	*	*			trans	40.2	119.9	144.4	-63	-175.9	139.8	0	0	122.7
747	H	25.3	Very low	26.1	Very low	164 Å²	164	161.1 Å²	161.1	76%	0.759	79%	0.789	S	S	*	*				73.2	105.2	74.6	-100.4	47.9	0	0	0	117.3
748	H	25	Very low	26	Very low	181 Å²	181	159.6 Å²	159.6	84%	0.838	79%	0.786	S	S	*	*				-170.3	142.1	125.2	-104.4	-50.6	0	0	0	114.7
749	H	26.2	Very low	25.8	Very low	160 Å²	160	158.1 Å²	158.1	74%	0.741	79%	0.787	S	S	*	*			trans	-53.4	152.8	175.1	-70.1	-85.5	0	0	0	114.5
750	E	24.6	Very low	25.6	Very low	197 Å²	197	157.5 Å²	157.5	92%	0.921	79%	0.791	S	S	*	*				-163.6	158.8	72.7	-111.3	176.5	166.8	0	0	113
751	C	21.3	Very low	25.6	Very low	119 Å²	119	159.5 Å²	159.5	80%	0.804	79%	0.791	S	S	*	*			trans	-117.5	139.7	-173.6	179.6	0	0	0	0	109.5
752	E	24.2	Very low	25.7	Very low	200 Å²	200	159.4 Å²	159.4	94%	0.935	80%	0.795	S	S	*	*			trans	-140.1	137	157	-122.2	-178.5	-177.5	0	0	111.7
753	S	25.3	Very low	25.4	Very low	88 Å²	88	156.3 Å²	156.3	62%	0.615	79%	0.789	S	S	*	*			trans	-90.7	155.5	-163.2	58.3	0	0	0	0	113.4
754	L	25.6	Very low	25.4	Very low	129 Å²	129	154.7 Å²	154.7	68%	0.675	79%	0.789	S	S	*	*				173.7	142.1	80.4	-101.7	135	0	0	0	110.7
755	Q	26.3	Very low	25.4	Very low	169 Å²	169	152.1 Å²	152.1	79%	0.79	79%	0.787	S	S	*	*			trans	60.7	143.4	145	-76.4	167.7	-3.6	0	0	120.5
756	S	24.2	Very low	25.6	Very low	85 Å²	85	149.9 Å²	149.9	59%	0.594	79%	0.788	S	S	*	*			cis	179.3	147.9	-11.9	43.1	0	0	0	0	107.2
757	H	26.6	Very low	25.5	Very low	177 Å²	177	149.3 Å²	149.3	82%	0.819	79%	0.79	S	S	*	*			trans	78.9	100.7	171.3	-57.7	-71.5	0	0	0	117.4
758	D	25.6	Very low	25.7	Very low	146 Å²	146	151.2 Å²	151.2	78%	0.781	79%	0.791	S	S	*	*				-168.1	152.8	88.7	-129.8	-26.5	0	0	0	112.4	L760	D758-L760 PolarHBondContact O-N 2.77Å
759	T	27.1	Very low	25.8	Very low	136 Å²	136	148.1 Å²	148.1	83%	0.834	79%	0.785	S	S	*	*			trans	-59.6	108.3	-171.7	0.5	0	0	0	0	114.7	R761	T759-R761 PolarHBondContact O-N 3.44Å
760	L	25.4	Very low	26	Very low	165 Å²	165	146.9 Å²	146.9	86%	0.864	78%	0.784	S	S	*	*			trans	-83.2	108.6	168.1	-84.9	161	0	0	0	111	D758 L762	D758-L760 PolarHBondContact O-N 2.77Å; L760-L762 PolarHBondContact O-N 2.89Å
761	R	25.6	Very low	26.1	Very low	223 Å²	223	142.6 Å²	142.6	84%	0.842	77%	0.771	S	S	*	*			trans	-73.2	111.2	155.2	-88.6	-172.3	173.2	178.6	-0.3	108.1	T759 T763	T759-R761 PolarHBondContact O-N 3.44Å; R761-T763 PolarHBondContact O-N 3.5Å; R761-T763 VanDerWaalsContact O-N 3.1Å
762	L	26	Very low	26.6	Very low	175 Å²	175	145.4 Å²	145.4	92%	0.916	78%	0.777	S	S	*	*			trans	-66.8	98.1	158.3	-93.3	124.2	0	0	0	108.5	L760	L760-L762 PolarHBondContact O-N 2.89Å
763	T	24.9	Very low	27.4	Very low	117 Å²	117	143.8 Å²	143.8	72%	0.718	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-100.2	117.5	159.9	46.5	0	0	0	0	108.1	R761	R761-T763 PolarHBondContact O-N 3.5Å; R761-T763 VanDerWaalsContact O-N 3.1Å
764	C	25.8	Very low	28.3	Very low	116 Å²	116	146.1 Å²	146.1	78%	0.784	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-50.7	144.5	165.6	-69	0	0	0	0	110
765	P	27.3	Very low	29.2	Very low	118 Å²	118	141 Å²	141	77%	0.766	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-64.2	136.4	172.3	27.5	-31.2	0	0	0	108.8	D767	P765-D767 PolarHBondContact O-N 2.65Å
766	P	29.6	Very low	30.2	Very low	122 Å²	122	134.1 Å²	134.1	79%	0.792	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-67.5	136.2	-179.7	26.8	-30.9	0	0	0	110	Y768	P766-Y768 PolarHBondContact O-N 3.21Å
767	D	24.6	Very low	31.3	Very low	148 Å²	148	133.1 Å²	133.1	79%	0.791	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-47	131.3	171.2	-76.4	-50.4	0	0	0	111.1	P765 T769	P765-D767 PolarHBondContact O-N 2.65Å; D767-T769 PolarHBondContact O-N 3.34Å
768	Y	28.5	Very low	32.2	Very low	204 Å²	204	129.7 Å²	129.7	80%	0.8	68%	0.678	S	S	*	*			trans	-70	69.6	177.4	-136.3	-93.8	0	0	0	110	P766 L770	P766-Y768 PolarHBondContact O-N 3.21Å; Y768-L770 PolarHBondContact O-N 3.24Å
769	T	26.3	Very low	33.4	Very low	116 Å²	116	124.2 Å²	124.2	71%	0.712	65%	0.649	S	S	*	*			trans	-80.2	95.9	165.8	53	0	0	0	0	107.9	D767 T771	D767-T769 PolarHBondContact O-N 3.34Å; T769-T771 VanDerWaalsContact C-N 3.32Å; T769-T771 PolarHBondContact O-N 3.22Å
770	L	30.9	Very low	33.8	Very low	135 Å²	135	121.2 Å²	121.2	71%	0.707	63%	0.632	S	S	*	*			trans	-45.6	99.4	157.5	-76.4	155.2	0	0	0	108.4	Y768 L772	Y768-L770 PolarHBondContact O-N 3.24Å; L770-L772 PolarHBondContact O-N 3.44Å
771	T	27.4	Very low	34.7	Very low	107 Å²	107	116.4 Å²	116.4	66%	0.656	61%	0.607	S	S	*	*			trans	-56.6	136.2	158.8	40.1	0	0	0	0	106.9	T769 R773	T769-T771 VanDerWaalsContact C-N 3.32Å; T769-T771 PolarHBondContact O-N 3.22Å; T771-R773 PolarHBondContact O-N 3.42Å
772	L	32.5	Very low	35.3	Very low	177 Å²	177	113 Å²	113	93%	0.927	60%	0.602	S	S	*	*			trans	-57.7	85	176.7	-85	116.1	0	0	0	110	L770 R774	L770-L772 PolarHBondContact O-N 3.44Å; L772-R774 PolarHBondContact O-N 3.2Å
773	R	40.4	Very low	35.5	Very low	166 Å²	166	109 Å²	109	63%	0.626	59%	0.585	S	S	*	*			trans	-72.8	108.8	163.1	-71.1	-179.5	175.5	173.3	-1.8	105.8	T771 S775	T771-R773 PolarHBondContact O-N 3.42Å; R773-S775 PolarHBondContact O-N 3.28Å
774	R	43.1	Very low	35.9	Very low	137 Å²	137	109.4 Å²	109.4	52%	0.517	59%	0.589	S	S	.	*			trans	-60.9	127	168.1	-70	-176	179.7	165.7	0.1	107.6	L772 D778	L772-R774 PolarHBondContact O-N 3.2Å; R774-D778 HydrophobicContact CB-CB 4.3Å
775	S	44.8	Very low	36.2	Very low	22 Å²	22	108.7 Å²	108.7	15%	0.154	59%	0.586	C	S	.	*			trans	-59.6	150.1	166.8	-178.3	0	0	0	0	108	R773 D777 D778	R773-S775 PolarHBondContact O-N 3.28Å; S775-D777 PolarHBondContact O-N 3.43Å; S775-D777 PolarHBondContact OG-N 3.04Å; S775-D777 PolarHBondContact OG-OD2 3.17Å; S775-D778 VanDerWaalsContact CB-OD2 3.31Å; S775-D778 WeakPolarHBondContact CB-OD2 3.31Å; S775-D778 PolarHBondContact N-OD2 3.32Å; S775-D778 WeakPolarHBondContact O-CA 3.19Å; S775-D778 WeakPolarHBondContact O-CB 3.47Å; S775-D778 PolarHBondContact O-N 3.02Å
776	P	48.3	Very low	36.6	Very low	25 Å²	25	107.1 Å²	107.1	16%	0.162	57%	0.574	C	S	.	*	G	3₁₀ helix	trans	-51.8	-25.2	165.4	-25	34.9	0	0	0	112.8	K431 A435 D778	K431-P776 HydrophobicContact CB-CG 4.44Å; A435-P776 HydrophobicContact CB-CB 4.47Å; P776-D778 VanDerWaalsContact C-N 3.29Å
777	D	47.6	Very low	36.7	Very low	64 Å²	64	108.1 Å²	108.1	34%	0.342	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-70.5	-22.8	173.8	-47.1	-44.7	0	0	0	113.4	Y466 R576 S775	Y466-D777 PolarHBondContact OH-OD2 3.06Å; R576-D777 WeakPolarHBondContact CG-OD1 3.44Å; R576-D777 IonicContact CZ-OD1 2.91Å; R576-D777 IonicContact NH1-OD1 3Å; R576-D777 PolarHBondContact NH1-OD1 3.32Å; S775-D777 PolarHBondContact O-N 3.43Å; S775-D777 PolarHBondContact OG-N 3.04Å; S775-D777 PolarHBondContact OG-OD2 3.17Å
778	D	44.3	Very low	36.9	Very low	104 Å²	104	106.8 Å²	106.8	56%	0.556	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-100	7.8	-175.2	-62.9	-44.9	0	0	0	112.9	R774 S775 P776 P780	R774-D778 HydrophobicContact CB-CB 4.3Å; S775-D778 VanDerWaalsContact CB-OD2 3.31Å; S775-D778 WeakPolarHBondContact CB-OD2 3.31Å; S775-D778 PolarHBondContact N-OD2 3.32Å; S775-D778 WeakPolarHBondContact O-CA 3.19Å; S775-D778 WeakPolarHBondContact O-CB 3.47Å; S775-D778 PolarHBondContact O-N 3.02Å; P776-D778 VanDerWaalsContact C-N 3.29Å; D778-P780 WeakPolarHBondContact O-CD 3.29Å
779	I	50.5	Low	36.8	Very low	31 Å²	31	105.3 Å²	105.3	16%	0.159	57%	0.571	C	S	.	*			trans	-71.8	108.9	176	-63.6	173.4	0	0	0	107.9	D419 T428 T432 L781	D419-I779 HydrophobicContact CB-CD1 4.47Å; D419-I779 HydrophobicContact CB-CG2 3.87Å; T428-I779 HydrophobicContact CG2-CD1 4.48Å; T432-I779 HydrophobicContact CG2-CD1 3.88Å; I779-L781 PolarHBondContact O-N 3.38Å; I779-L781 VanDerWaalsContact O-N 3.1Å
780	P	37	Very low	37	Very low	73 Å²	73	106.9 Å²	106.9	47%	0.474	57%	0.574	S	S	.	*			trans	-72.4	110.6	-174.7	28.9	-30.1	0	0	0	109.6	A421 D778	A421-P780 HydrophobicContact CB-CG 4.43Å; D778-P780 WeakPolarHBondContact O-CD 3.29Å
781	L	43.7	Very low	37	Very low	64 Å²	64	105.5 Å²	105.5	34%	0.335	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-82.6	140.5	164.8	-68	169.8	0	0	0	109.2	T578 I779 T783	T578-L781 HydrophobicContact CG2-CD1 4.36Å; I779-L781 PolarHBondContact O-N 3.38Å; I779-L781 VanDerWaalsContact O-N 3.1Å; L781-T783 PolarHBondContact O-N 2.84Å
782	M	37.5	Very low	37.3	Very low	153 Å²	153	107.9 Å²	107.9	75%	0.754	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-53.5	133.2	-177.6	-66.2	-136.8	87.4	0	0	111.2
783	T	31.1	Very low	37.1	Very low	90 Å²	90	105.2 Å²	105.2	55%	0.552	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-60.8	153.1	178.1	56.9	0	0	0	0	111.8	L781 S785 T786	L781-T783 PolarHBondContact O-N 2.84Å; T783-S785 PolarHBondContact O-N 3.34Å; T783-S785 PolarHBondContact OG1-OG 3.37Å; T783-T786 PolarHBondContact O-N 3.17Å
784	P	32.9	Very low	36.6	Very low	125 Å²	125	106.2 Å²	106.2	81%	0.812	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-56.5	-13.1	-176.2	-24.5	33.3	0	0	0	116	T786	P784-T786 PolarHBondContact O-N 3.49Å
785	S	32.5	Very low	36	Very low	101 Å²	101	104.4 Å²	104.4	71%	0.706	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-70.1	-5.8	-176.5	-10.5	0	0	0	0	115.5	T783	T783-S785 PolarHBondContact O-N 3.34Å; T783-S785 PolarHBondContact OG1-OG 3.37Å
786	T	34.3	Very low	35.2	Very low	85 Å²	85	107 Å²	107	52%	0.521	64%	0.639	S	S	.	*	G	3₁₀ helix	trans	-100	-3.3	-174.6	-40	0	0	0	0	113.8	T783 P784 T788	T783-T786 PolarHBondContact O-N 3.17Å; P784-T786 PolarHBondContact O-N 3.49Å; T786-T788 PolarHBondContact O-N 3Å
787	I	32	Very low	34.1	Very low	144 Å²	144	115.4 Å²	115.4	74%	0.738	68%	0.679	S	S	*	*			trans	-90.6	82.2	175.3	-54.4	176.8	0	0	0	109.4	M789	I787-M789 HydrophobicContact CG2-CG 4.22Å
788	T	28.7	Very low	33.3	Very low	120 Å²	120	121.4 Å²	121.4	74%	0.736	71%	0.705	S	S	*	*			trans	-101.5	97.6	156.3	39.8	0	0	0	0	108.9	T786 I790	T786-T788 PolarHBondContact O-N 3Å; T788-I790 PolarHBondContact O-N 3.25Å
789	M	28.1	Very low	32.6	Very low	172 Å²	172	122 Å²	122	85%	0.847	71%	0.714	S	S	*	*			trans	-67	108.6	165.1	-73.9	-83.9	-81.9	0	0	108.6	I787	I787-M789 HydrophobicContact CG2-CG 4.22Å
790	I	29.8	Very low	31.6	Very low	149 Å²	149	129.1 Å²	129.1	76%	0.764	75%	0.752	S	S	*	*			trans	-101.5	113.6	166.6	-58.2	174.4	0	0	0	107.4	T788 N792	T788-I790 PolarHBondContact O-N 3.25Å; I790-N792 PolarHBondContact O-N 3.24Å
791	P	31	Very low	31.2	Very low	106 Å²	106	134.3 Å²	134.3	69%	0.688	77%	0.769	S	S	*	*			trans	-86.2	109.9	171.5	30.9	-25.5	0	0	0	108.9
792	N	32.8	Very low	30.6	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	79%	0.794	S	S	*	*			trans	159.9	103.3	144.5	-84	-24	0	0	0	111.8	I790	I790-N792 PolarHBondContact O-N 3.24Å
793	S	28	Very low	30.1	Very low	121 Å²	121	141.2 Å²	141.2	85%	0.846	80%	0.801	S	S	*	*			trans	-174.5	84.8	141.9	54.3	0	0	0	0	110.6
794	L	31.1	Very low	30.1	Very low	186 Å²	186	144.6 Å²	144.6	97%	0.974	82%	0.815	S	S	*	*			trans	-86.7	111.4	161.3	-101	156	0	0	0	108
795	A	30	Very low	29.8	Very low	99 Å²	99	144.5 Å²	144.5	82%	0.818	81%	0.813	S	S	*	*			trans	-137.6	102.3	165.1	0	0	0	0	0	110
796	G	27.4	Very low	29.6	Very low	77 Å²	77	149.9 Å²	149.9	79%	0.794	82%	0.823	S	S	*	*			trans	62.8	100.6	138	0	0	0	0	0	119.8
797	M	26.6	Very low	29.4	Very low	201 Å²	201	149.5 Å²	149.5	99%	0.99	84%	0.837	S	S	*	*			trans	-121.1	124.9	144.9	-84.4	-171.5	169.5	0	0	109.8
798	Q	29.2	Very low	29.1	Very low	190 Å²	190	146.6 Å²	146.6	89%	0.888	84%	0.842	S	S	*	*			trans	-79.8	153.4	172	-77.4	-155.1	-32.5	0	0	111.5
799	P	30.8	Very low	29	Very low	116 Å²	116	146 Å²	146	75%	0.753	84%	0.843	S	S	*	*			trans	-91.5	138.3	-177.3	35.1	-29.7	0	0	0	111.9
800	L	28.6	Very low	29	Very low	182 Å²	182	145.5 Å²	145.5	95%	0.953	84%	0.838	S	S	*	*			trans	-111	134.8	166.8	-83.8	164.1	0	0	0	110.1
801	H	29.3	Very low	29	Very low	181 Å²	181	144.9 Å²	144.9	84%	0.838	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71.2	156.5	-166.9	-82.7	-85.1	0	0	0	116.2
802	N	29.9	Very low	28.9	Very low	161 Å²	161	144.1 Å²	144.1	86%	0.861	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-63.2	140.9	165.6	-77	-18.9	0	0	0	113.5
803	F	28.7	Very low	28.8	Very low	202 Å²	202	142 Å²	142	89%	0.886	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-83.2	130.9	163.8	-93.8	-91	0	0	0	111
804	N	30.1	Very low	28.9	Very low	160 Å²	160	143.6 Å²	143.6	86%	0.856	83%	0.826	S	S	*	*			trans	-114.4	141.2	162.6	-99.3	-17.6	0	0	0	108.8
805	T	27.8	Very low	28.7	Very low	124 Å²	124	141.5 Å²	141.5	76%	0.761	82%	0.815	S	S	*	*			trans	-134.8	111.4	157.1	45.2	0	0	0	0	108.8
806	F	28.2	Very low	29.5	Very low	213 Å²	213	141.7 Å²	141.7	93%	0.934	81%	0.808	S	S	*	*				-177.2	118.7	129.3	-105.8	-75.4	0	0	0	111.3
807	G	28.6	Very low	29.7	Very low	78 Å²	78	145.6 Å²	145.6	80%	0.804	81%	0.805	S	S	*	*			trans	53	99.2	137.6	0	0	0	0	0	123.1
808	G	26	Very low	30.2	Very low	82 Å²	82	139 Å²	139	85%	0.845	79%	0.788	S	S	*	*				89.2	120.5	109.4	0	0	0	0	0	120.7
809	S	26.3	Very low	30.4	Very low	108 Å²	108	138 Å²	138	76%	0.755	78%	0.783	S	S	*	*			trans	116.9	98.1	139.7	-170.8	0	0	0	0	118.6
810	Q	29.4	Very low	30.5	Very low	161 Å²	161	136.8 Å²	136.8	75%	0.752	78%	0.778	S	S	*	*				67.8	133.1	126.9	-63.9	-163.6	-3.6	0	0	123.5
811	N	28.6	Very low	30.7	Very low	136 Å²	136	133.5 Å²	133.5	73%	0.727	77%	0.765	S	S	*	*			trans	72.4	140.5	145.4	-65.4	-12.4	0	0	0	117.5
812	S	30.4	Very low	31	Very low	90 Å²	90	130.2 Å²	130.2	63%	0.629	76%	0.758	S	S	*	*			cis	-178.8	140.9	-5.8	44.4	0	0	0	0	106.6
813	T	29	Very low	31	Very low	114 Å²	114	133.5 Å²	133.5	70%	0.699	76%	0.759	S	S	*	*			trans	55.3	110.9	140.3	60.3	0	0	0	0	120.4
814	N	30	Very low	31.7	Very low	154 Å²	154	134 Å²	134	82%	0.824	78%	0.778	S	S	*	*				163	121.3	97.1	-89.5	-27	0	0	0	113
815	L	28.3	Very low	31.8	Very low	142 Å²	142	132.8 Å²	132.8	74%	0.743	77%	0.774	S	S	*	*			trans	-59.2	176.5	153.6	-82.1	158.7	0	0	0	110.9
816	P	46.2	Very low	32	Very low	103 Å²	103	133.2 Å²	133.2	67%	0.669	78%	0.775	S	S	*	*			cis	-146.7	165.1	25	25.3	1.7	0	0	0	119.5
817	H	32.3	Very low	32.2	Very low	159 Å²	159	128.8 Å²	128.8	74%	0.736	77%	0.766	S	S	*	*			trans	45.4	142.7	136.5	-56.1	-51.2	0	0	0	121.7
818	G	35.6	Very low	32.4	Very low	62 Å²	62	131.8 Å²	131.8	64%	0.639	76%	0.764	S	S	*	*			cis	169.7	-177.1	4.2	0	0	0	0	0	114.5
819	H	34.4	Very low	32.8	Very low	169 Å²	169	134.9 Å²	134.9	78%	0.782	76%	0.759	S	S	*	*			trans	70.6	116.1	152	-65.9	-67.3	0	0	0	118.4
820	S	33.7	Very low	33.2	Very low	91 Å²	91	136.7 Å²	136.7	64%	0.636	76%	0.759	S	S	*	*				110.6	136.2	68.1	-165.8	0	0	0	0	106.3
821	T	32.9	Very low	33.5	Very low	113 Å²	113	134.9 Å²	134.9	69%	0.693	76%	0.759	S	S	*	*			cis	-173.8	138.8	17	4.9	0	0	0	0	109.4
822	T	34	Very low	33.9	Very low	112 Å²	112	134.8 Å²	134.8	69%	0.687	76%	0.762	S	S	*	*			trans	48.3	142.9	133.4	28.3	0	0	0	0	126.9
823	R	30.9	Very low	34.2	Very low	231 Å²	231	138.6 Å²	138.6	87%	0.872	77%	0.773	S	S	*	*			trans	77.6	132.1	138.7	-79.4	173.6	174.8	-174.9	-2.4	116.3
824	V	42.7	Very low	34.6	Very low	213 Å²	213	140.8 Å²	140.8	100%	1.291	78%	0.779	S	S	*	*			cis	-128.2	0	39.5	174.9	0	0	0	0	112.5

Retrieved 824 of 824 residues in 734.7 ms (Link to these results)

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