A0A077Z3K2_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077Z3K2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 668 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	51.6	Low	210 Å²	210	108 Å²	108	100%	1.034	57%	0.57	S	S	*	*				0	-44.5	0	-101.4	-171.8	178.6	0	0	109.6	E3	M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact N-OE2 3.29Å
2	D	39.7	Very low	53	Low	129 Å²	129	99.9 Å²	99.9	69%	0.69	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-73.5	-21.3	179.9	-50.1	-97	0	0	0	113.8	H4 L5	D2-H4 VanDerWaalsContact C-N 3.32Å; D2-H4 PolarHBondContact O-N 2.89Å; D2-L5 PolarHBondContact O-N 2.95Å
3	E	39.8	Very low	54.8	Low	140 Å²	140	94.6 Å²	94.6	65%	0.654	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-58.2	-31.8	-172.7	-67.1	139.9	131.7	0	0	115.2	M1	M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact N-OE2 3.29Å
4	H	42.5	Very low	56.2	Low	144 Å²	144	87.9 Å²	87.9	67%	0.667	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-80.7	-11.7	178.1	-79.4	14.3	0	0	0	114.3	D2	D2-H4 VanDerWaalsContact C-N 3.32Å; D2-H4 PolarHBondContact O-N 2.89Å
5	L	50	Low	57.7	Low	59 Å²	59	86.8 Å²	86.8	31%	0.309	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-101.2	-0.9	175.5	-75	167	0	0	0	113.1	D2 G7 G8 A20 N71	D2-L5 PolarHBondContact O-N 2.95Å; L5-G7 VanDerWaalsContact C-N 3.26Å; L5-G7 PolarHBondContact O-N 2.75Å; L5-G8 PolarHBondContact O-N 3.38Å; L5-A20 HydrophobicContact CD1-CB 4.03Å; L5-N71 WeakPolarHBondContact CD1-ND2 3.32Å
6	Q	42.8	Very low	59.3	Low	157 Å²	157	83.8 Å²	83.8	73%	0.734	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.7	173	-70.8	177.5	-47.5	0	0	112.7	G8	Q6-G8 VanDerWaalsContact C-N 3.28Å; Q6-G8 PolarHBondContact O-N 3.33Å
7	G	47	Very low	60.7	Low	61 Å²	61	79 Å²	79	63%	0.629	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	8.3	176.5	0	0	0	0	0	115.7	L5	L5-G7 VanDerWaalsContact C-N 3.26Å; L5-G7 PolarHBondContact O-N 2.75Å
8	G	61.6	Low	62	Low	33 Å²	33	79.2 Å²	79.2	34%	0.34	42%	0.422	S	S	.	.			trans	80.4	153.9	-175.2	0	0	0	0	0	113.7	L5 Q6 E10 C12	L5-G8 PolarHBondContact O-N 3.38Å; Q6-G8 VanDerWaalsContact C-N 3.28Å; Q6-G8 PolarHBondContact O-N 3.33Å; G8-E10 VanDerWaalsContact C-N 3.26Å; G8-E10 PolarHBondContact O-N 2.81Å; G8-C12 PolarHBondContact O-SG 3.27Å
9	W	70.1	Confident	63.2	Low	69 Å²	69	84.6 Å²	84.6	26%	0.261	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-74.5	-16.9	-179.3	59.1	-89.1	0	0	0	113.1	N11 C12 F17 I149 C175	W9-N11 VanDerWaalsContact C-N 3.26Å; W9-N11 PolarHBondContact O-N 3.42Å; W9-C12 PolarHBondContact O-N 3.21Å; W9-F17 HydrophobicContact CB-CZ 4.23Å; W9-I149 HydrophobicContact CB-CB 4.37Å; W9-I149 HydrophobicContact CB-CG2 4.21Å; W9-I149 HydrophobicContact CD2-CB 4.06Å; W9-I149 HydrophobicContact CD2-CD1 3.77Å; W9-I149 HydrophobicContact CD2-CG2 4.04Å; W9-I149 HydrophobicContact CE3-CB 4.33Å; W9-I149 HydrophobicContact CE3-CD1 3.82Å; W9-I149 HydrophobicContact CE3-CG2 3.85Å; W9-I149 HydrophobicContact CG-CB 4.06Å; W9-I149 HydrophobicContact CG-CG2 4.19Å; W9-I149 HydrophobicContact CH2-CD1 3.78Å; W9-I149 HydrophobicContact CZ2-CD1 3.72Å; W9-I149 HydrophobicContact CZ3-CD1 3.82Å; W9-C175 HydrophobicContact CH2-CB 4.12Å; W9-C175 HydrophobicContact CZ3-CB 4.18Å
10	E	67.2	Low	64.1	Low	69 Å²	69	81.7 Å²	81.7	32%	0.322	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-68.8	-21.2	-174	-64.6	170.6	-156.3	0	0	113.4	G8 S164 C175 S176	G8-E10 VanDerWaalsContact C-N 3.26Å; G8-E10 PolarHBondContact O-N 2.81Å; E10-S164 WeakPolarHBondContact O-CB 3.46Å; E10-S164 PolarHBondContact O-OG 3.27Å; E10-C175 HydrophobicContact CG-CB 4.49Å; E10-S176 WeakPolarHBondContact OE2-CA 3.5Å
11	N	68.1	Low	65.1	Low	117 Å²	117	79.9 Å²	79.9	63%	0.626	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-111.1	6.3	179.7	-63.2	-34	0	0	0	113.2	W9 S176	W9-N11 VanDerWaalsContact C-N 3.26Å; W9-N11 PolarHBondContact O-N 3.42Å; N11-S176 PolarHBondContact OD1-OG 3.25Å
12	C	69.3	Low	67.3	Low	11 Å²	11	73.5 Å²	73.5	7%	0.074	39%	0.392	C	S	.	.			trans	-78.2	136.2	179.1	-67.3	0	0	0	0	112	G8 W9 D16 F17	G8-C12 PolarHBondContact O-SG 3.27Å; W9-C12 PolarHBondContact O-N 3.21Å; C12-D16 HydrophobicContact CB-CB 4.36Å; C12-F17 HydrophobicContact CB-CD2 4.04Å; C12-F17 HydrophobicContact CB-CE1 4.33Å; C12-F17 HydrophobicContact CB-CE2 3.41Å; C12-F17 VanDerWaalsContact CB-CE2 3.41Å; C12-F17 HydrophobicContact CB-CZ 3.57Å
13	S	75.6	Confident	69.6	Low	31 Å²	31	70.3 Å²	70.3	22%	0.217	37%	0.372	C	S	.	.			trans	-78.9	164.6	172.2	75.2	0	0	0	0	112.1	V15 D16 F17 D165	S13-V15 PolarHBondContact O-N 3.49Å; S13-V15 PolarHBondContact OG-N 3.08Å; S13-D16 WeakPolarHBondContact CB-OD2 3.31Å; S13-D16 PolarHBondContact N-OD2 3.31Å; S13-D16 PolarHBondContact O-N 3.33Å; S13-D16 VanDerWaalsContact OG-CG 3.32Å; S13-D16 PolarHBondContact OG-N 2.95Å; S13-D16 PolarHBondContact OG-OD2 3.19Å; S13-F17 VanDerWaalsContact O-CD2 3.26Å; S13-F17 WeakPolarHBondContact O-CD2 3.42Å; S13-F17 PolarHBondContact O-N 3.24Å; S13-F17 VanDerWaalsContact O-N 3.07Å; S13-D165 WeakPolarHBondContact CA-OD2 3.23Å; S13-D165 WeakPolarHBondContact CB-OD2 3.44Å
14	G	74.5	Confident	71.9	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-56.3	-30.7	171.6	0	0	0	0	0	113.6	E18 D165	G14-E18 PolarHBondContact O-N 3.31Å; G14-D165 PolarHBondContact N-OD2 3.33Å
15	V	79.6	Confident	74.1	Confident	71 Å²	71	62.1 Å²	62.1	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-70.5	-34.7	175.6	-177.5	0	0	0	0	111.3	S13 E18 R19	S13-V15 PolarHBondContact O-N 3.49Å; S13-V15 PolarHBondContact OG-N 3.08Å; V15-E18 PolarHBondContact O-N 3.25Å; V15-R19 WeakPolarHBondContact O-CD 3.36Å; V15-R19 VanDerWaalsContact O-CG 3.23Å; V15-R19 WeakPolarHBondContact O-CG 3.46Å; V15-R19 PolarHBondContact O-N 3.28Å
16	D	82.5	Confident	75.8	Confident	39 Å²	39	63.1 Å²	63.1	21%	0.209	35%	0.345	C	S	.	.	H	α-helix	trans	-74.9	-35.6	177.9	-57.3	-53.1	0	0	0	111.5	C12 S13 R19 A20	C12-D16 HydrophobicContact CB-CB 4.36Å; S13-D16 WeakPolarHBondContact CB-OD2 3.31Å; S13-D16 PolarHBondContact N-OD2 3.31Å; S13-D16 PolarHBondContact O-N 3.33Å; S13-D16 VanDerWaalsContact OG-CG 3.32Å; S13-D16 PolarHBondContact OG-N 2.95Å; S13-D16 PolarHBondContact OG-OD2 3.19Å; D16-R19 PolarHBondContact O-N 3.49Å; D16-R19 IonicContact OD1-CZ 2.6Å; D16-R19 IonicContact OD1-NH1 3.83Å; D16-R19 PolarHBondContact OD1-NH1 3.18Å; D16-A20 WeakPolarHBondContact O-CB 3.37Å; D16-A20 PolarHBondContact O-N 3.4Å
17	F	83.7	Confident	77.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.009	32%	0.319	C	S	.	.	H	α-helix	trans	-63.8	-37.1	168.4	-73.2	-66.9	0	0	0	112.8	W9 C12 S13 C21 V136 C138 Y147 I149	W9-F17 HydrophobicContact CB-CZ 4.23Å; C12-F17 HydrophobicContact CB-CD2 4.04Å; C12-F17 HydrophobicContact CB-CE1 4.33Å; C12-F17 HydrophobicContact CB-CE2 3.41Å; C12-F17 VanDerWaalsContact CB-CE2 3.41Å; C12-F17 HydrophobicContact CB-CZ 3.57Å; S13-F17 VanDerWaalsContact O-CD2 3.26Å; S13-F17 WeakPolarHBondContact O-CD2 3.42Å; S13-F17 PolarHBondContact O-N 3.24Å; S13-F17 VanDerWaalsContact O-N 3.07Å; F17-C21 WeakPolarHBondContact O-CB 3.21Å; F17-C21 PolarHBondContact O-N 3.38Å; F17-C21 VanDerWaalsContact O-N 3.1Å; F17-V136 HydrophobicContact CD1-CG1 4.08Å; F17-V136 HydrophobicContact CD2-CG1 4.08Å; F17-V136 HydrophobicContact CE1-CG1 3.8Å; F17-V136 HydrophobicContact CE2-CG1 3.79Å; F17-V136 HydrophobicContact CE2-CG2 4.36Å; F17-V136 HydrophobicContact CG-CG1 4.23Å; F17-V136 HydrophobicContact CZ-CG1 3.66Å; F17-C138 VanDerWaalsContact CD2-SG 3.56Å; F17-Y147 HydrophobicContact CB-CD1 3.97Å; F17-Y147 HydrophobicContact CB-CD2 3.89Å; F17-Y147 HydrophobicContact CB-CE1 4.14Å; F17-Y147 HydrophobicContact CB-CE2 4.08Å; F17-Y147 HydrophobicContact CB-CG 3.83Å; F17-Y147 HydrophobicContact CD1-CG 4.49Å; F17-Y147 HydrophobicContact CG-CG 4.37Å; F17-Y147 VanDerWaalsContact O-CE1 3.27Å; F17-Y147 WeakPolarHBondContact O-CE1 3.22Å; F17-I149 HydrophobicContact CE1-CG2 4.15Å; F17-I149 HydrophobicContact CZ-CG2 4.26Å
18	E	84.7	Confident	79.8	Confident	83 Å²	83	55.9 Å²	55.9	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-46	171.3	-169.2	-177.5	-153.6	0	0	111.8	G14 V15 A20 C21	G14-E18 PolarHBondContact O-N 3.31Å; V15-E18 PolarHBondContact O-N 3.25Å; E18-A20 PolarHBondContact O-N 2.98Å; E18-C21 VanDerWaalsContact O-CB 3.26Å; E18-C21 WeakPolarHBondContact O-CB 3.22Å; E18-C21 PolarHBondContact O-N 3.28Å
19	R	83.9	Confident	80	Confident	181 Å²	181	59.6 Å²	59.6	68%	0.683	33%	0.328	S	S	*	.	H	α-helix	trans	-64.1	-37.3	177.9	-71.6	163	175.5	172.1	-3.1	113.2	V15 D16	V15-R19 WeakPolarHBondContact O-CD 3.36Å; V15-R19 VanDerWaalsContact O-CG 3.23Å; V15-R19 WeakPolarHBondContact O-CG 3.46Å; V15-R19 PolarHBondContact O-N 3.28Å; D16-R19 PolarHBondContact O-N 3.49Å; D16-R19 IonicContact OD1-CZ 2.6Å; D16-R19 IonicContact OD1-NH1 3.83Å; D16-R19 PolarHBondContact OD1-NH1 3.18Å
20	A	82	Confident	79.3	Confident	26 Å²	26	57.9 Å²	57.9	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-86.2	-6.4	-177.3	0	0	0	0	0	113.9	L5 D16 E18 V22 N71	L5-A20 HydrophobicContact CD1-CB 4.03Å; D16-A20 WeakPolarHBondContact O-CB 3.37Å; D16-A20 PolarHBondContact O-N 3.4Å; E18-A20 PolarHBondContact O-N 2.98Å; A20-V22 WeakPolarHBondContact O-CG2 3.34Å; A20-V22 PolarHBondContact O-N 2.9Å; A20-N71 VanDerWaalsContact O-CB 3.31Å; A20-N71 WeakPolarHBondContact O-CB 3.36Å; A20-N71 PolarHBondContact O-ND2 3.12Å
21	C	85	Confident	78.2	Confident	45 Å²	45	62.4 Å²	62.4	30%	0.304	35%	0.354	S	S	.	.			trans	-57.4	117.1	-178.8	-178.9	0	0	0	0	112.7	F17 E18 F23 Y147	F17-C21 WeakPolarHBondContact O-CB 3.21Å; F17-C21 PolarHBondContact O-N 3.38Å; F17-C21 VanDerWaalsContact O-N 3.1Å; E18-C21 VanDerWaalsContact O-CB 3.26Å; E18-C21 WeakPolarHBondContact O-CB 3.22Å; E18-C21 PolarHBondContact O-N 3.28Å; C21-F23 PolarHBondContact SG-O 2.87Å; C21-F23 VanDerWaalsContact SG-O 3.39Å; C21-Y147 HydrophobicContact CB-CE1 4.12Å
22	V	83.9	Confident	77.2	Confident	76 Å²	76	59.7 Å²	59.7	46%	0.461	35%	0.354	S	S	.	.			trans	-100.6	-30.5	-179.1	-173	0	0	0	0	112.2	A20 N71	A20-V22 WeakPolarHBondContact O-CG2 3.34Å; A20-V22 PolarHBondContact O-N 2.9Å; V22-N71 HydrophobicContact CB-CB 4.46Å; V22-N71 HydrophobicContact CG2-CB 4.02Å; V22-N71 PolarHBondContact N-O 2.79Å
23	F	87.6	Confident	76.3	Confident	61 Å²	61	61.6 Å²	61.6	27%	0.268	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152	-175.7	-60.9	-85.1	0	0	0	112	C21 P69 N71 S72 R73 T644	C21-F23 PolarHBondContact SG-O 2.87Å; C21-F23 VanDerWaalsContact SG-O 3.39Å; F23-P69 HydrophobicContact CD2-CB 3.55Å; F23-P69 HydrophobicContact CD2-CG 3.73Å; F23-P69 HydrophobicContact CE1-CG 4.47Å; F23-P69 HydrophobicContact CE2-CB 3.41Å; F23-P69 VanDerWaalsContact CE2-CB 3.41Å; F23-P69 HydrophobicContact CE2-CG 3.58Å; F23-P69 HydrophobicContact CG-CB 4.48Å; F23-P69 HydrophobicContact CG-CG 4.25Å; F23-P69 HydrophobicContact CZ-CB 4.25Å; F23-P69 HydrophobicContact CZ-CG 3.98Å; F23-N71 PolarHBondContact N-O 2.79Å; F23-S72 WeakPolarHBondContact O-CA 3.41Å; F23-R73 PolarHBondContact O-N 2.8Å; F23-T644 HydrophobicContact CE1-CG2 3.96Å; F23-T644 HydrophobicContact CZ-CG2 4.05Å
24	H	88.8	Confident	75	Confident	95 Å²	95	66.5 Å²	66.5	44%	0.44	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124	175.9	-167.8	-78.7	0	0	0	109.5	P26 R73	H24-P26 VanDerWaalsContact O-CD 3.31Å; H24-P26 WeakPolarHBondContact O-CD 3.48Å; H24-R73 PolarHBondContact CD2-NE 2.77Å; H24-R73 PolarHBondContact CD2-NH2 2.81Å; H24-R73 PolarHBondContact NE2-NE 2.85Å; H24-R73 PolarHBondContact NE2-NH2 3.48Å
25	V	87.4	Confident	74.3	Confident	17 Å²	17	67.5 Å²	67.5	10%	0.103	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	94.5	171.8	-176.3	0	0	0	0	106.9	P44 R73 F74	V25-P44 HydrophobicContact CG1-CB 3.81Å; V25-P44 HydrophobicContact CG1-CG 3.93Å; V25-R73 PolarHBondContact N-O 3.04Å; V25-F74 HydrophobicContact CB-CD1 3.68Å; V25-F74 HydrophobicContact CB-CE1 3.89Å; V25-F74 HydrophobicContact CB-CG 4.35Å; V25-F74 HydrophobicContact CG1-CD1 3.78Å; V25-F74 HydrophobicContact CG1-CE1 3.85Å; V25-F74 HydrophobicContact CG2-CD1 4.18Å; V25-F74 HydrophobicContact CG2-CE1 3.93Å; V25-F74 HydrophobicContact CG2-CZ 4.33Å
26	P	86.4	Confident	73.4	Confident	80 Å²	80	68 Å²	68	52%	0.519	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-72	152.1	174.8	32.8	-34.5	0	0	0	110.4	H24	H24-P26 VanDerWaalsContact O-CD 3.31Å; H24-P26 WeakPolarHBondContact O-CD 3.48Å
27	D	88.2	Confident	73.1	Confident	36 Å²	36	70.9 Å²	70.9	19%	0.193	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-52.3	150.9	165.3	-73.8	17	0	0	0	111.1	S42 N119 W120	D27-S42 CarbonylContact C-O 3.58Å; D27-S42 WeakPolarHBondContact CA-O 3.49Å; D27-S42 WeakPolarHBondContact CB-O 3.05Å; D27-N119 PolarHBondContact OD2-ND2 2.89Å; D27-W120 PolarHBondContact OD1-NE1 2.91Å
28	A	85.3	Confident	73.1	Confident	31 Å²	31	72 Å²	72	26%	0.256	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-62.3	146.3	173.2	0	0	0	0	0	110.8	G30 S42 L43	A28-G30 PolarHBondContact O-N 3.13Å; A28-S42 PolarHBondContact N-O 3.38Å; A28-L43 VanDerWaalsContact CB-O 3.26Å; A28-L43 WeakPolarHBondContact CB-O 3.35Å
29	A	66.3	Low	73.1	Confident	110 Å²	110	68.2 Å²	68.2	91%	0.909	42%	0.424	S	S	*	.			trans	-74.6	65.6	176.3	0	0	0	0	0	111
30	G	54.8	Low	73.1	Confident	34 Å²	34	63.4 Å²	63.4	35%	0.351	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-62.6	162.1	168.5	0	0	0	0	0	111.5	A28	A28-G30 PolarHBondContact O-N 3.13Å
31	Q	44.7	Very low	73.2	Confident	163 Å²	163	64 Å²	64	76%	0.762	42%	0.416	S	S	*	.	S	Bend	trans	-57.5	152.8	163.2	-66.3	164.2	-9.8	0	0	108.7
32	G	47.9	Very low	73.4	Confident	61 Å²	61	62 Å²	62	63%	0.629	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-52.5	159.6	-170.9	0	0	0	0	0	113.9	C34 S35	G32-C34 PolarHBondContact O-N 3.45Å; G32-S35 PolarHBondContact O-N 2.83Å
33	A	50.5	Low	73.6	Confident	51 Å²	51	60 Å²	60	42%	0.421	39%	0.389	S	S	.	.	S	Bend	trans	-66.2	35.3	-168.1	0	0	0	0	0	116.6	Y38	A33-Y38 HydrophobicContact CB-CD1 4.28Å; A33-Y38 HydrophobicContact CB-CD2 4.25Å; A33-Y38 HydrophobicContact CB-CE1 4.13Å; A33-Y38 HydrophobicContact CB-CE2 4.11Å; A33-Y38 HydrophobicContact CB-CG 4.35Å
34	C	47.6	Very low	73.8	Confident	133 Å²	133	57.2 Å²	57.2	90%	0.899	38%	0.377	S	S	*	.			trans	-130.2	41.2	167.8	-51.5	0	0	0	0	109	G32	G32-C34 PolarHBondContact O-N 3.45Å
35	S	58.7	Low	73.6	Confident	23 Å²	23	62.2 Å²	62.2	16%	0.161	40%	0.398	C	S	.	.	S	Bend	trans	-105.4	140.1	170.3	68.3	0	0	0	0	109.2	G32 N37 Y38	G32-S35 PolarHBondContact O-N 2.83Å; S35-N37 PolarHBondContact O-N 3.32Å; S35-Y38 PolarHBondContact O-N 3.36Å; S35-Y38 VanDerWaalsContact O-N 3.08Å
36	A	62.2	Low	73.5	Confident	81 Å²	81	64 Å²	64	67%	0.669	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-12	-173.3	0	0	0	0	0	114.7
37	N	74.7	Confident	73.8	Confident	99 Å²	99	60.6 Å²	60.6	53%	0.529	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	41	177.9	-81.6	-58.4	0	0	0	111.4	S35 A39 L40 A41	S35-N37 PolarHBondContact O-N 3.32Å; N37-A39 PolarHBondContact O-N 3.28Å; N37-L40 HydrophobicContact CB-CB 4.3Å; N37-L40 HydrophobicContact CB-CD1 4.2Å; N37-L40 HydrophobicContact CB-CG 4.4Å; N37-L40 WeakPolarHBondContact O-CA 3.41Å; N37-L40 PolarHBondContact O-N 2.78Å; N37-A41 PolarHBondContact O-N 3.24Å
38	Y	84	Confident	73.9	Confident	27 Å²	27	63.7 Å²	63.7	11%	0.106	39%	0.393	C	S	.	.	H	α-helix	trans	-55.2	-38.4	-180	176.9	-119.6	0	0	0	113	A33 S35 L40 A41 S42 I78 T116 K117 S118 N119	A33-Y38 HydrophobicContact CB-CD1 4.28Å; A33-Y38 HydrophobicContact CB-CD2 4.25Å; A33-Y38 HydrophobicContact CB-CE1 4.13Å; A33-Y38 HydrophobicContact CB-CE2 4.11Å; A33-Y38 HydrophobicContact CB-CG 4.35Å; S35-Y38 PolarHBondContact O-N 3.36Å; S35-Y38 VanDerWaalsContact O-N 3.08Å; Y38-L40 PolarHBondContact O-N 2.69Å; Y38-A41 PolarHBondContact O-N 3.41Å; Y38-S42 WeakPolarHBondContact O-CB 3.44Å; Y38-S42 PolarHBondContact O-N 2.83Å; Y38-S42 PolarHBondContact O-OG 3.08Å; Y38-I78 HydrophobicContact CE1-CG2 4.07Å; Y38-I78 VanDerWaalsContact OH-CD1 3.27Å; Y38-I78 WeakPolarHBondContact OH-CD1 3.48Å; Y38-T116 WeakPolarHBondContact CB-O 3.34Å; Y38-K117 WeakPolarHBondContact CE1-O 3.18Å; Y38-S118 VanDerWaalsContact CD1-O 3.25Å; Y38-S118 WeakPolarHBondContact CD1-O 3.18Å; Y38-N119 HydrophobicContact CE1-CB 4.13Å
39	A	84.5	Confident	74	Confident	2 Å²	2	64.6 Å²	64.6	2%	0.017	39%	0.393	C	S	.	.	H	α-helix	trans	-60.3	-24.3	173.9	0	0	0	0	0	114.1	N37 A115 S118 W120 F123	N37-A39 PolarHBondContact O-N 3.28Å; A39-A115 HydrophobicContact CB-CB 4.15Å; A39-A115 WeakPolarHBondContact CB-O 3.32Å; A39-A115 PolarHBondContact N-O 3.08Å; A39-A115 VanDerWaalsContact N-O 3.08Å; A39-S118 VanDerWaalsContact CA-O 3.26Å; A39-S118 WeakPolarHBondContact CA-O 3.18Å; A39-S118 WeakPolarHBondContact CB-O 3.37Å; A39-S118 PolarHBondContact N-O 3.39Å; A39-W120 WeakPolarHBondContact O-CA 3.35Å; A39-W120 VanDerWaalsContact O-CB 3.27Å; A39-W120 WeakPolarHBondContact O-CB 3.48Å; A39-W120 PolarHBondContact O-N 3.29Å; A39-F123 HydrophobicContact CB-CE2 3.72Å; A39-F123 HydrophobicContact CB-CZ 4.1Å
40	L	84.3	Confident	74.9	Confident	80 Å²	80	62.6 Å²	62.6	42%	0.419	37%	0.365	S	S	.	.	H	α-helix	trans	-92.4	-41.4	173.2	-56.6	-178.4	0	0	0	111.6	N37 Y38 S42 L43 L49 F123	N37-L40 HydrophobicContact CB-CB 4.3Å; N37-L40 HydrophobicContact CB-CD1 4.2Å; N37-L40 HydrophobicContact CB-CG 4.4Å; N37-L40 WeakPolarHBondContact O-CA 3.41Å; N37-L40 PolarHBondContact O-N 2.78Å; Y38-L40 PolarHBondContact O-N 2.69Å; L40-S42 PolarHBondContact O-N 3.31Å; L40-L43 VanDerWaalsContact O-CB 3.26Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 PolarHBondContact O-N 2.9Å; L40-L43 VanDerWaalsContact O-N 3.11Å; L40-L49 HydrophobicContact CD2-CD1 3.4Å; L40-F123 HydrophobicContact CD2-CE2 3.99Å; L40-F123 HydrophobicContact CD2-CZ 4.23Å
41	A	84.9	Confident	76.2	Confident	40 Å²	40	64.6 Å²	64.6	33%	0.331	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-21.6	-178.2	0	0	0	0	0	113.7	N37 Y38	N37-A41 PolarHBondContact O-N 3.24Å; Y38-A41 PolarHBondContact O-N 3.41Å
42	S	88.6	Confident	77.5	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.014	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.2	173.9	52.9	0	0	0	0	114.1	D27 A28 Y38 L40 P44 N119 W120	D27-S42 CarbonylContact C-O 3.58Å; D27-S42 WeakPolarHBondContact CA-O 3.49Å; D27-S42 WeakPolarHBondContact CB-O 3.05Å; A28-S42 PolarHBondContact N-O 3.38Å; Y38-S42 WeakPolarHBondContact O-CB 3.44Å; Y38-S42 PolarHBondContact O-N 2.83Å; Y38-S42 PolarHBondContact O-OG 3.08Å; L40-S42 PolarHBondContact O-N 3.31Å; S42-P44 VanDerWaalsContact O-CD 3.3Å; S42-P44 WeakPolarHBondContact O-CD 3.46Å; S42-N119 WeakPolarHBondContact OG-CA 3.32Å; S42-W120 VanDerWaalsContact O-CD1 3.31Å; S42-W120 PolarHBondContact OG-N 3.35Å
43	L	89.3	Confident	78.5	Confident	33 Å²	33	62.9 Å²	62.9	17%	0.173	35%	0.352	C	S	.	.			trans	-64	119.7	-173.9	-174.6	70.1	0	0	0	112.3	A28 L40 L47 L49 V62 W120	A28-L43 VanDerWaalsContact CB-O 3.26Å; A28-L43 WeakPolarHBondContact CB-O 3.35Å; L40-L43 VanDerWaalsContact O-CB 3.26Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 PolarHBondContact O-N 2.9Å; L40-L43 VanDerWaalsContact O-N 3.11Å; L43-L47 HydrophobicContact CD1-CB 3.92Å; L43-L47 HydrophobicContact CD1-CD1 4.38Å; L43-L47 HydrophobicContact CG-CB 4.29Å; L43-L49 HydrophobicContact CD2-CG 4.38Å; L43-V62 HydrophobicContact CD1-CG1 4.29Å; L43-W120 HydrophobicContact CB-CB 4.03Å; L43-W120 HydrophobicContact CB-CG 4.46Å; L43-W120 HydrophobicContact CD1-CB 3.75Å; L43-W120 HydrophobicContact CD1-CD2 3.96Å; L43-W120 HydrophobicContact CD1-CE3 3.83Å; L43-W120 HydrophobicContact CD1-CG 3.95Å
44	P	90.3	Very high	78.9	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.019	35%	0.353	C	S	.	.			trans	-56.5	138	177.8	-26.7	33.1	0	0	0	113.2	V25 S42 N46 L47 W120	V25-P44 HydrophobicContact CG1-CB 3.81Å; V25-P44 HydrophobicContact CG1-CG 3.93Å; S42-P44 VanDerWaalsContact O-CD 3.3Å; S42-P44 WeakPolarHBondContact O-CD 3.46Å; P44-N46 WeakPolarHBondContact CB-OD1 3.26Å; P44-N46 PolarHBondContact O-N 3.39Å; P44-L47 HydrophobicContact CB-CD1 4.31Å; P44-L47 HydrophobicContact CB-CG 4.42Å; P44-L47 HydrophobicContact CG-CD1 4.14Å; P44-L47 WeakPolarHBondContact O-CB 3.3Å; P44-L47 PolarHBondContact O-N 3.33Å; P44-W120 VanDerWaalsContact CD-CE2 3.5Å; P44-W120 HydrophobicContact CG-CZ2 4.01Å
45	K	85.7	Confident	79.2	Confident	201 Å²	201	64.6 Å²	64.6	87%	0.874	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.4	-175.7	-61.8	-169.9	177.7	-168.9	0	115.5	L47	K45-L47 VanDerWaalsContact C-N 3.35Å
46	N	85.7	Confident	78.9	Confident	54 Å²	54	67 Å²	67	29%	0.289	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	6.3	174.8	60.8	-79.8	0	0	0	113.4	P44 C65	P44-N46 WeakPolarHBondContact CB-OD1 3.26Å; P44-N46 PolarHBondContact O-N 3.39Å; N46-C65 PolarHBondContact O-N 3.5Å
47	L	91.6	Very high	78.6	Confident	9 Å²	9	67.7 Å²	67.7	5%	0.047	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	160.2	176.7	-55.8	178.6	0	0	0	109.8	L43 P44 K45 V62 V63 T64 I68 F74 W120 L158	L43-L47 HydrophobicContact CD1-CB 3.92Å; L43-L47 HydrophobicContact CD1-CD1 4.38Å; L43-L47 HydrophobicContact CG-CB 4.29Å; P44-L47 HydrophobicContact CB-CD1 4.31Å; P44-L47 HydrophobicContact CB-CG 4.42Å; P44-L47 HydrophobicContact CG-CD1 4.14Å; P44-L47 WeakPolarHBondContact O-CB 3.3Å; P44-L47 PolarHBondContact O-N 3.33Å; K45-L47 VanDerWaalsContact C-N 3.35Å; L47-V62 HydrophobicContact CB-CG1 4Å; L47-V62 HydrophobicContact CD1-CG1 3.93Å; L47-V62 HydrophobicContact CD2-CG1 4.39Å; L47-V62 HydrophobicContact CG-CG1 4.33Å; L47-V63 CarbonylContact C-O 3.58Å; L47-V63 WeakPolarHBondContact CA-O 3.5Å; L47-T64 HydrophobicContact CD2-CG2 4.04Å; L47-I68 HydrophobicContact CD2-CD1 3.81Å; L47-F74 HydrophobicContact CD1-CE1 4.21Å; L47-W120 HydrophobicContact CD1-CE3 4.01Å; L47-W120 HydrophobicContact CD1-CH2 3.56Å; L47-W120 HydrophobicContact CD1-CZ2 4.15Å; L47-W120 HydrophobicContact CD1-CZ3 3.48Å; L47-W120 VanDerWaalsContact CD1-CZ3 3.48Å; L47-L158 HydrophobicContact CD1-CD1 3.93Å; L47-L158 HydrophobicContact CD2-CD1 3.85Å
48	R	90.3	Very high	78	Confident	100 Å²	100	67.2 Å²	67.2	38%	0.377	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.1	167.5	66.2	-178.3	-169.3	-162.6	3.2	109.4	V63	R48-V63 HydrophobicContact CG-CB 4.12Å; R48-V63 PolarHBondContact N-O 3.07Å; R48-V63 PolarHBondContact O-N 2.73Å
49	L	88.3	Confident	77.5	Confident	50 Å²	50	69.7 Å²	69.7	26%	0.262	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	148.9	157.1	-66.3	-178	0	0	0	109.6	L40 L43 V61 V62 F123	L40-L49 HydrophobicContact CD2-CD1 3.4Å; L43-L49 HydrophobicContact CD2-CG 4.38Å; L49-V61 WeakPolarHBondContact CA-O 3.44Å; L49-V62 HydrophobicContact CD2-CB 4.48Å; L49-V62 HydrophobicContact CD2-CG2 3.73Å; L49-F123 HydrophobicContact CD1-CD2 3.98Å; L49-F123 HydrophobicContact CD1-CE2 4.02Å; L49-F123 HydrophobicContact CD1-CG 4.26Å; L49-F123 HydrophobicContact CD1-CZ 4.33Å; L49-F123 HydrophobicContact CD2-CB 3.64Å; L49-F123 HydrophobicContact CD2-CD2 3.94Å; L49-F123 HydrophobicContact CD2-CG 3.86Å
50	Q	85.6	Confident	77.3	Confident	69 Å²	69	72.4 Å²	72.4	32%	0.322	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.5	170	-178.1	168.1	-26.5	0	0	108	V61 V63	Q50-V61 PolarHBondContact N-O 3.21Å; Q50-V61 WeakPolarHBondContact O-CG2 3.37Å; Q50-V61 PolarHBondContact O-N 3.05Å; Q50-V63 HydrophobicContact CB-CB 4.39Å; Q50-V63 HydrophobicContact CB-CG2 3.74Å
51	T	82	Confident	77.4	Confident	76 Å²	76	68.7 Å²	68.7	47%	0.466	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.3	170.8	-49.6	0	0	0	0	108.7	P58	T51-P58 HydrophobicContact CG2-CB 3.49Å; T51-P58 VanDerWaalsContact CG2-CB 3.49Å
52	L	71	Confident	77.6	Confident	55 Å²	55	66.8 Å²	66.8	29%	0.288	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.3	171.1	-65.8	178.1	0	0	0	109.2	N54 K59 V61	L52-N54 VanDerWaalsContact C-N 3.3Å; L52-N54 PolarHBondContact O-N 3.38Å; L52-K59 PolarHBondContact N-O 2.95Å; L52-K59 PolarHBondContact O-N 3.03Å; L52-V61 HydrophobicContact CD1-CG1 4.32Å; L52-V61 HydrophobicContact CD1-CG2 3.63Å; L52-V61 HydrophobicContact CG-CG2 3.91Å
53	D	68.5	Low	77.7	Confident	133 Å²	133	67 Å²	67	71%	0.711	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	73.8	-179.5	-62.7	-46.7	0	0	0	111.1	N55	D53-N55 PolarHBondContact O-N 3.25Å; D53-N55 VanDerWaalsContact O-N 3.15Å
54	N	59.7	Low	77.8	Confident	82 Å²	82	65.4 Å²	65.4	44%	0.439	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	101.5	175.6	-75.6	-12.8	0	0	0	109.8	L52 G56 T57	L52-N54 VanDerWaalsContact C-N 3.3Å; L52-N54 PolarHBondContact O-N 3.38Å; N54-G56 VanDerWaalsContact C-N 3.3Å; N54-G56 PolarHBondContact O-N 2.98Å; N54-T57 PolarHBondContact N-O 3.42Å; N54-T57 PolarHBondContact O-N 3.18Å; N54-T57 PolarHBondContact O-OG1 2.87Å
55	N	52.8	Low	77.7	Confident	137 Å²	137	68 Å²	68	73%	0.733	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	42.5	173.9	-64.5	-3.3	0	0	0	115.1	D53 T57 C210	D53-N55 PolarHBondContact O-N 3.25Å; D53-N55 VanDerWaalsContact O-N 3.15Å; N55-T57 VanDerWaalsContact C-N 3.31Å; N55-T57 PolarHBondContact O-N 3.34Å; N55-C210 PolarHBondContact ND2-SG 3.13Å; N55-C210 VanDerWaalsContact ND2-SG 3.37Å
56	G	52.7	Low	77.9	Confident	73 Å²	73	59.5 Å²	59.5	75%	0.753	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	1.1	-179.6	0	0	0	0	0	114.9	N54	N54-G56 VanDerWaalsContact C-N 3.3Å; N54-G56 PolarHBondContact O-N 2.98Å
57	T	56	Low	78.2	Confident	96 Å²	96	61.5 Å²	61.5	59%	0.589	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.4	166.2	51.5	0	0	0	0	110.7	N54 N55 K59	N54-T57 PolarHBondContact N-O 3.42Å; N54-T57 PolarHBondContact O-N 3.18Å; N54-T57 PolarHBondContact O-OG1 2.87Å; N55-T57 VanDerWaalsContact C-N 3.31Å; N55-T57 PolarHBondContact O-N 3.34Å; T57-K59 PolarHBondContact O-N 3.35Å
58	P	63	Low	78.1	Confident	89 Å²	89	61.3 Å²	61.3	58%	0.578	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	113	178.3	27.3	-32.6	0	0	0	110.2	T51	T51-P58 HydrophobicContact CG2-CB 3.49Å; T51-P58 VanDerWaalsContact CG2-CB 3.49Å
59	K	73.7	Confident	78.1	Confident	80 Å²	80	57.7 Å²	57.7	35%	0.348	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.1	177.9	-171.7	-171	174.5	-164.1	0	110.2	L52 T57 V61 S125	L52-K59 PolarHBondContact N-O 2.95Å; L52-K59 PolarHBondContact O-N 3.03Å; T57-K59 PolarHBondContact O-N 3.35Å; K59-V61 HydrophobicContact CD-CG1 3.87Å; K59-V61 HydrophobicContact CG-CG1 4.03Å; K59-V61 PolarHBondContact O-N 3.35Å; K59-S125 PolarHBondContact NZ-OG 3.27Å
60	C	80	Confident	78.2	Confident	59 Å²	59	59.6 Å²	59.6	40%	0.399	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125.6	167.3	-63	0	0	0	0	110.1	F123	C60-F123 HydrophobicContact CB-CD1 4.48Å
61	V	84.9	Confident	78.3	Confident	1 Å²	1	57 Å²	57	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.8	174.2	-59.5	0	0	0	0	110.7	L49 Q50 L52 K59 V63 E157	L49-V61 WeakPolarHBondContact CA-O 3.44Å; Q50-V61 PolarHBondContact N-O 3.21Å; Q50-V61 WeakPolarHBondContact O-CG2 3.37Å; Q50-V61 PolarHBondContact O-N 3.05Å; L52-V61 HydrophobicContact CD1-CG1 4.32Å; L52-V61 HydrophobicContact CD1-CG2 3.63Å; L52-V61 HydrophobicContact CG-CG2 3.91Å; K59-V61 HydrophobicContact CD-CG1 3.87Å; K59-V61 HydrophobicContact CG-CG1 4.03Å; K59-V61 PolarHBondContact O-N 3.35Å; V61-V63 HydrophobicContact CG2-CG2 4.04Å; V61-E157 HydrophobicContact CB-CG 4.02Å; V61-E157 WeakPolarHBondContact CG1-OE1 3.41Å; V61-E157 HydrophobicContact CG2-CG 4.13Å
62	V	89.8	Confident	78.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.1	174.8	-173.4	0	0	0	0	109.9	L43 L47 L49 W120 F123 V124 E157 L158	L43-V62 HydrophobicContact CD1-CG1 4.29Å; L47-V62 HydrophobicContact CB-CG1 4Å; L47-V62 HydrophobicContact CD1-CG1 3.93Å; L47-V62 HydrophobicContact CD2-CG1 4.39Å; L47-V62 HydrophobicContact CG-CG1 4.33Å; L49-V62 HydrophobicContact CD2-CB 4.48Å; L49-V62 HydrophobicContact CD2-CG2 3.73Å; V62-W120 HydrophobicContact CG1-CE3 4.23Å; V62-W120 HydrophobicContact CG1-CZ3 4.07Å; V62-W120 HydrophobicContact CG2-CE3 4.1Å; V62-W120 HydrophobicContact CG2-CZ3 4.37Å; V62-F123 HydrophobicContact CG2-CB 3.69Å; V62-V124 HydrophobicContact CB-CG2 4.34Å; V62-V124 HydrophobicContact CG2-CG2 3.95Å; V62-E157 CarbonylContact O-C 3.56Å; V62-E157 WeakPolarHBondContact O-CA 3.37Å; V62-L158 HydrophobicContact CB-CB 4.36Å; V62-L158 HydrophobicContact CB-CD1 4.25Å; V62-L158 HydrophobicContact CB-CG 4.47Å; V62-L158 HydrophobicContact CG1-CD1 3.7Å; V62-L158 HydrophobicContact CG1-CG 4.22Å; V62-L158 PolarHBondContact O-N 2.94Å
63	V	91	Very high	79.9	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.1	-179	176.7	0	0	0	0	110.1	L47 R48 Q50 V61 T156	L47-V63 CarbonylContact C-O 3.58Å; L47-V63 WeakPolarHBondContact CA-O 3.5Å; R48-V63 HydrophobicContact CG-CB 4.12Å; R48-V63 PolarHBondContact N-O 3.07Å; R48-V63 PolarHBondContact O-N 2.73Å; Q50-V63 HydrophobicContact CB-CB 4.39Å; Q50-V63 HydrophobicContact CB-CG2 3.74Å; V61-V63 HydrophobicContact CG2-CG2 4.04Å; V63-T156 WeakPolarHBondContact CA-O 3.47Å
64	T	92	Very high	81	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140	177.8	58	0	0	0	0	112.8	L47 I68 I152 A153 P154 H155 T156 L158	L47-T64 HydrophobicContact CD2-CG2 4.04Å; T64-I68 HydrophobicContact CG2-CD1 3.66Å; T64-I68 HydrophobicContact CG2-CG1 4.16Å; T64-I152 HydrophobicContact CG2-CB 4.49Å; T64-I152 HydrophobicContact CG2-CG2 3.8Å; T64-A153 PolarHBondContact OG1-O 2.79Å; T64-P154 VanDerWaalsContact OG1-C 3.23Å; T64-P154 WeakPolarHBondContact OG1-CA 3.3Å; T64-H155 VanDerWaalsContact O-CA 3.32Å; T64-H155 WeakPolarHBondContact O-CA 3.45Å; T64-H155 PolarHBondContact O-N 2.99Å; T64-H155 PolarHBondContact O-ND1 3.27Å; T64-H155 PolarHBondContact OG1-N 2.96Å; T64-T156 PolarHBondContact N-O 3.15Å; T64-T156 PolarHBondContact OG1-N 2.93Å; T64-T156 PolarHBondContact OG1-O 3.1Å; T64-L158 HydrophobicContact CG2-CD2 3.83Å; T64-L158 HydrophobicContact CG2-CG 4.47Å
65	C	88.4	Confident	82.4	Confident	57 Å²	57	43.1 Å²	43.1	39%	0.385	26%	0.255	S	S	.	.	S	Bend	trans	-98.5	-6.5	169.8	-64.5	0	0	0	0	112.7	N46	N46-C65 PolarHBondContact O-N 3.5Å
66	G	88.8	Confident	84.2	Confident	22 Å²	22	38.1 Å²	38.1	23%	0.227	23%	0.23	C	C	.	.	S	Bend	trans	-161.1	169.9	-179.6	0	0	0	0	0	111.4
67	Y	91.6	Very high	86	Confident	97 Å²	97	35.1 Å²	35.1	38%	0.38	20%	0.197	S	C	.	.			trans	-64.9	133.2	179.1	174.4	-81.3	0	0	0	111.3	P69 P151 I152 T648	Y67-P69 HydrophobicContact CD1-CG 4.38Å; Y67-P69 HydrophobicContact CE1-CB 4.2Å; Y67-P69 HydrophobicContact CE1-CG 3.97Å; Y67-P151 HydrophobicContact CE2-CB 4.02Å; Y67-I152 WeakPolarHBondContact CA-O 3.4Å; Y67-T648 HydrophobicContact CD1-CG2 4.31Å; Y67-T648 VanDerWaalsContact CE1-CB 3.48Å; Y67-T648 HydrophobicContact CE1-CG2 3.47Å; Y67-T648 VanDerWaalsContact CE1-CG2 3.47Å; Y67-T648 PolarHBondContact OH-O 2.99Å
68	I	91	Very high	87.6	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.021	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-114.9	120.3	175.5	-51.5	-170.6	0	0	0	108.6	L47 T64 F74 I152	L47-I68 HydrophobicContact CD2-CD1 3.81Å; T64-I68 HydrophobicContact CG2-CD1 3.66Å; T64-I68 HydrophobicContact CG2-CG1 4.16Å; I68-F74 HydrophobicContact CD1-CE1 4.09Å; I68-F74 HydrophobicContact CD1-CZ 3.72Å; I68-F74 HydrophobicContact CG2-CE2 4.46Å; I68-F74 HydrophobicContact CG2-CZ 3.91Å; I68-I152 HydrophobicContact CB-CB 4.13Å; I68-I152 HydrophobicContact CB-CG1 4.38Å; I68-I152 PolarHBondContact N-O 2.78Å; I68-I152 PolarHBondContact O-N 3.4Å
69	P	90.3	Very high	88.8	Confident	24 Å²	24	29.9 Å²	29.9	16%	0.156	16%	0.163	C	C	.	.			trans	-61.6	157.2	176.4	-19.8	30.7	0	0	0	112.6	F23 Y67 S72 S148 T648	F23-P69 HydrophobicContact CD2-CB 3.55Å; F23-P69 HydrophobicContact CD2-CG 3.73Å; F23-P69 HydrophobicContact CE1-CG 4.47Å; F23-P69 HydrophobicContact CE2-CB 3.41Å; F23-P69 VanDerWaalsContact CE2-CB 3.41Å; F23-P69 HydrophobicContact CE2-CG 3.58Å; F23-P69 HydrophobicContact CG-CB 4.48Å; F23-P69 HydrophobicContact CG-CG 4.25Å; F23-P69 HydrophobicContact CZ-CB 4.25Å; F23-P69 HydrophobicContact CZ-CG 3.98Å; Y67-P69 HydrophobicContact CD1-CG 4.38Å; Y67-P69 HydrophobicContact CE1-CB 4.2Å; Y67-P69 HydrophobicContact CE1-CG 3.97Å; P69-S72 WeakPolarHBondContact O-CB 3.46Å; P69-S72 PolarHBondContact O-OG 3.03Å; P69-S148 PolarHBondContact O-OG 3.17Å; P69-T648 HydrophobicContact CB-CG2 4.39Å; P69-T648 HydrophobicContact CG-CG2 4.1Å
70	Q	88.7	Confident	89.3	Confident	90 Å²	90	29.6 Å²	29.6	42%	0.421	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	152.4	163.6	-164.5	177.2	18.4	0	0	110.9	S72 I149 P151	Q70-S72 VanDerWaalsContact C-N 3.28Å; Q70-S72 PolarHBondContact O-N 3.41Å; Q70-I149 PolarHBondContact NE2-O 3.3Å; Q70-P151 HydrophobicContact CB-CG 4.24Å
71	N	88.7	Confident	89.5	Confident	16 Å²	16	32 Å²	32	9%	0.086	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	39.8	-176.4	-57.7	-1.8	0	0	0	113.4	L5 A20 V22 F23 S148	L5-N71 WeakPolarHBondContact CD1-ND2 3.32Å; A20-N71 VanDerWaalsContact O-CB 3.31Å; A20-N71 WeakPolarHBondContact O-CB 3.36Å; A20-N71 PolarHBondContact O-ND2 3.12Å; V22-N71 HydrophobicContact CB-CB 4.46Å; V22-N71 HydrophobicContact CG2-CB 4.02Å; V22-N71 PolarHBondContact N-O 2.79Å; F23-N71 PolarHBondContact N-O 2.79Å; N71-S148 PolarHBondContact N-O 2.67Å; N71-S148 PolarHBondContact N-OG 2.8Å
72	S	91.8	Very high	89.4	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.1	167.3	-58.4	0	0	0	0	109.6	F23 P69 Q70 Y147 S148	F23-S72 WeakPolarHBondContact O-CA 3.41Å; P69-S72 WeakPolarHBondContact O-CB 3.46Å; P69-S72 PolarHBondContact O-OG 3.03Å; Q70-S72 VanDerWaalsContact C-N 3.28Å; Q70-S72 PolarHBondContact O-N 3.41Å; S72-Y147 WeakPolarHBondContact O-CA 3.36Å; S72-S148 WeakPolarHBondContact CB-OG 3.2Å; S72-S148 PolarHBondContact N-OG 3Å; S72-S148 PolarHBondContact O-N 2.58Å
73	R	93.7	Very high	88.7	Confident	47 Å²	47	43.3 Å²	43.3	18%	0.177	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.5	175.1	-168.8	-179	82.2	164.2	7.4	111.4	F23 H24 V25 F145 F146 Y147	F23-R73 PolarHBondContact O-N 2.8Å; H24-R73 PolarHBondContact CD2-NE 2.77Å; H24-R73 PolarHBondContact CD2-NH2 2.81Å; H24-R73 PolarHBondContact NE2-NE 2.85Å; H24-R73 PolarHBondContact NE2-NH2 3.48Å; V25-R73 PolarHBondContact N-O 3.04Å; R73-F145 VanDerWaalsContact CD-CD1 3.5Å; R73-F145 HydrophobicContact CG-CB 3.97Å; R73-F145 HydrophobicContact CG-CD1 3.78Å; R73-F145 HydrophobicContact CG-CG 4.11Å; R73-F146 CarbonylContact C-O 3.22Å; R73-F146 WeakPolarHBondContact CA-O 3.49Å; R73-Y147 HydrophobicContact CB-CD1 3.93Å; R73-Y147 HydrophobicContact CB-CE1 3.73Å; R73-Y147 WeakPolarHBondContact CD-OH 3.37Å; R73-Y147 HydrophobicContact CG-CD1 4.06Å; R73-Y147 HydrophobicContact CG-CE1 3.6Å; R73-Y147 HydrophobicContact CG-CE2 4.3Å
74	F	93.3	Very high	87.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.8	169.9	-55.2	-100.5	0	0	0	109.9	V25 L47 I68 W120 M121 L135 F145 F146	V25-F74 HydrophobicContact CB-CD1 3.68Å; V25-F74 HydrophobicContact CB-CE1 3.89Å; V25-F74 HydrophobicContact CB-CG 4.35Å; V25-F74 HydrophobicContact CG1-CD1 3.78Å; V25-F74 HydrophobicContact CG1-CE1 3.85Å; V25-F74 HydrophobicContact CG2-CD1 4.18Å; V25-F74 HydrophobicContact CG2-CE1 3.93Å; V25-F74 HydrophobicContact CG2-CZ 4.33Å; L47-F74 HydrophobicContact CD1-CE1 4.21Å; I68-F74 HydrophobicContact CD1-CE1 4.09Å; I68-F74 HydrophobicContact CD1-CZ 3.72Å; I68-F74 HydrophobicContact CG2-CE2 4.46Å; I68-F74 HydrophobicContact CG2-CZ 3.91Å; F74-W120 HydrophobicContact CB-CH2 4.14Å; F74-W120 HydrophobicContact CB-CZ2 4.01Å; F74-W120 AromaticContact CD1-CH2 3.63Å; F74-W120 HydrophobicContact CD1-CH2 3.63Å; F74-W120 AromaticContact CD1-CZ2 3.83Å; F74-W120 HydrophobicContact CD1-CZ2 3.83Å; F74-W120 HydrophobicContact CE1-CH2 4.3Å; F74-W120 HydrophobicContact CG-CH2 4.14Å; F74-W120 HydrophobicContact CG-CZ2 4.34Å; F74-M121 HydrophobicContact CB-CE 4.3Å; F74-L135 HydrophobicContact CD2-CD2 4.02Å; F74-L135 HydrophobicContact CE2-CD2 3.57Å; F74-L135 HydrophobicContact CZ-CD2 4.42Å; F74-F145 WeakPolarHBondContact O-CD1 3.28Å; F74-F146 HydrophobicContact CB-CB 4.32Å; F74-F146 HydrophobicContact CD2-CB 4.39Å; F74-F146 PolarHBondContact N-O 3.27Å; F74-F146 PolarHBondContact O-N 2.85Å; F74-F146 VanDerWaalsContact O-N 3.12Å
75	G	87.6	Confident	86.2	Confident	5 Å²	5	49.1 Å²	49.1	5%	0.052	25%	0.254	C	S	.	.			trans	105.5	-164.9	175	0	0	0	0	0	115	M121	G75-M121 WeakPolarHBondContact CA-SD 3.42Å
76	P	91.7	Very high	84.7	Confident	32 Å²	32	50.9 Å²	50.9	21%	0.208	26%	0.259	C	S	.	.			cis	-70	163.3	18.3	30.4	-38	0	0	0	114.6	N119 E143 I144 F145	P76-N119 PolarHBondContact O-ND2 2.66Å; P76-E143 HydrophobicContact CB-CB 4.01Å; P76-E143 HydrophobicContact CB-CG 4.26Å; P76-I144 CarbonylContact C-O 3.57Å; P76-I144 VanDerWaalsContact CA-O 3.32Å; P76-I144 WeakPolarHBondContact CA-O 3.47Å; P76-F145 HydrophobicContact CB-CD1 4.4Å; P76-F145 HydrophobicContact CB-CE1 3.89Å; P76-F145 HydrophobicContact CB-CZ 4.03Å; P76-F145 HydrophobicContact CG-CE1 4.39Å
77	I	91.2	Very high	83.3	Confident	10 Å²	10	56.4 Å²	56.4	5%	0.051	28%	0.284	C	S	.	.			trans	-64.1	135.1	163.6	-54.5	179.7	0	0	0	108	W98 L110 L112 M121 I144 F146	I77-W98 HydrophobicContact CD1-CD2 3.86Å; I77-W98 HydrophobicContact CD1-CE3 4.18Å; I77-W98 HydrophobicContact CD1-CG 4.35Å; I77-W98 HydrophobicContact CD1-CH2 4.39Å; I77-W98 HydrophobicContact CD1-CZ2 4.05Å; I77-W98 HydrophobicContact CD1-CZ3 4.44Å; I77-L110 HydrophobicContact CB-CD2 3.89Å; I77-L110 HydrophobicContact CG2-CD2 3.66Å; I77-L112 HydrophobicContact CG2-CD1 3.92Å; I77-L112 HydrophobicContact CG2-CD2 3.64Å; I77-L112 HydrophobicContact CG2-CG 4.42Å; I77-M121 HydrophobicContact CB-SD 4.34Å; I77-M121 HydrophobicContact CG1-CB 4.26Å; I77-M121 HydrophobicContact CG1-CE 3.58Å; I77-M121 HydrophobicContact CG1-SD 3.82Å; I77-I144 HydrophobicContact CD1-CB 3.89Å; I77-I144 HydrophobicContact CD1-CG2 3.52Å; I77-I144 HydrophobicContact CG1-CB 4.19Å; I77-I144 HydrophobicContact CG1-CG2 4.18Å; I77-I144 PolarHBondContact N-O 3.12Å; I77-F146 HydrophobicContact CD1-CE1 3.69Å; I77-F146 HydrophobicContact CD1-CZ 3.82Å; I77-F146 HydrophobicContact CG1-CE1 4.36Å; I77-F146 HydrophobicContact CG1-CZ 4.37Å
78	I	89.5	Confident	81.8	Confident	59 Å²	59	54.2 Å²	54.2	30%	0.303	28%	0.28	S	S	.	.			trans	-121.2	141.6	178.7	-60.1	169.3	0	0	0	108.2	Y38 L112 S118 N119	Y38-I78 HydrophobicContact CE1-CG2 4.07Å; Y38-I78 VanDerWaalsContact OH-CD1 3.27Å; Y38-I78 WeakPolarHBondContact OH-CD1 3.48Å; I78-L112 VanDerWaalsContact O-CD2 3.29Å; I78-L112 WeakPolarHBondContact O-CD2 3.4Å; I78-S118 WeakPolarHBondContact O-CA 3.23Å; I78-S118 WeakPolarHBondContact O-CB 3.33Å; I78-N119 HydrophobicContact CB-CB 4.07Å; I78-N119 PolarHBondContact N-OD1 3.27Å; I78-N119 PolarHBondContact O-N 3.39Å; I78-N119 VanDerWaalsContact O-N 3.12Å
79	G	87	Confident	80.1	Confident	16 Å²	16	58.2 Å²	58.2	17%	0.165	31%	0.313	C	S	.	.			trans	-178.1	-178.2	-176	0	0	0	0	0	110.8	D111	G79-D111 CarbonylContact C-O 3.51Å; G79-D111 VanDerWaalsContact CA-O 3.27Å; G79-D111 WeakPolarHBondContact CA-O 3.04Å
80	D	84.2	Confident	78.5	Confident	75 Å²	75	58.3 Å²	58.3	40%	0.401	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	144.2	172	-99.4	-15.5	0	0	0	110.1	L110 D111 K117	D80-L110 CarbonylContact O-C 3.57Å; D80-L110 WeakPolarHBondContact O-CA 3.48Å; D80-D111 HydrophobicContact CB-CB 4.35Å; D80-D111 PolarHBondContact N-O 3.41Å; D80-D111 PolarHBondContact O-N 3.1Å; D80-K117 VanDerWaalsContact OD1-CD 3.23Å; D80-K117 WeakPolarHBondContact OD1-CD 3.48Å; D80-K117 WeakPolarHBondContact OD2-CD 3.3Å; D80-K117 WeakPolarHBondContact OD2-CE 3.3Å; D80-K117 IonicContact OD2-NZ 2.67Å; D80-K117 PolarHBondContact OD2-NZ 2.81Å
81	I	85.4	Confident	77	Confident	108 Å²	108	60.6 Å²	60.6	55%	0.554	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.8	179.3	-59.4	175.4	0	0	0	109.3	F108 L109 L110	I81-F108 HydrophobicContact CG2-CB 3.98Å; I81-F108 HydrophobicContact CG2-CD1 4.08Å; I81-F108 HydrophobicContact CG2-CG 4.4Å; I81-L109 WeakPolarHBondContact CA-O 3.31Å; I81-L110 HydrophobicContact CD1-CD1 4.33Å; I81-L110 HydrophobicContact CG1-CD1 3.67Å
82	R	81.4	Confident	75.2	Confident	110 Å²	110	64.1 Å²	64.1	42%	0.415	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.7	171	68	-166.7	-155.9	-138.6	4.1	110.3	E84 L109 D111	R82-E84 HydrophobicContact CG-CG 4.46Å; R82-E84 IonicContact CZ-OE1 2.68Å; R82-E84 IonicContact NE-OE1 3.96Å; R82-E84 PolarHBondContact NE-OE1 3.01Å; R82-E84 IonicContact NH2-OE1 3.84Å; R82-E84 PolarHBondContact NH2-OE1 2.87Å; R82-L109 HydrophobicContact CG-CB 3.72Å; R82-L109 HydrophobicContact CG-CD2 4.07Å; R82-L109 HydrophobicContact CG-CG 4.06Å; R82-L109 PolarHBondContact N-O 2.46Å; R82-L109 PolarHBondContact O-N 2.44Å; R82-D111 IonicContact CZ-OD2 3.15Å; R82-D111 IonicContact NH1-OD2 2.67Å; R82-D111 PolarHBondContact NH1-OD2 3.26Å
83	K	76.1	Confident	73.3	Confident	129 Å²	129	66.1 Å²	66.1	56%	0.561	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	131	174.8	-170.6	-179.8	-171.6	-178.2	0	108.7	E106 F108	K83-E106 WeakPolarHBondContact CE-OE1 3.42Å; K83-E106 IonicContact NZ-OE1 2.72Å; K83-E106 PolarHBondContact NZ-OE1 2.86Å; K83-E106 IonicContact NZ-OE2 2.58Å; K83-F108 HydrophobicContact CB-CD1 4.18Å; K83-F108 HydrophobicContact CB-CE1 4.16Å; K83-F108 HydrophobicContact CD-CE1 4.18Å; K83-F108 HydrophobicContact CG-CD1 4.29Å; K83-F108 HydrophobicContact CG-CE1 4.05Å
84	E	69	Low	71.6	Confident	41 Å²	41	67.9 Å²	67.9	19%	0.192	38%	0.376	C	S	.	.			trans	-127.8	155.8	-179.8	-76.1	-173.5	169	0	0	111.1	R82 V88 L109	R82-E84 HydrophobicContact CG-CG 4.46Å; R82-E84 IonicContact CZ-OE1 2.68Å; R82-E84 IonicContact NE-OE1 3.96Å; R82-E84 PolarHBondContact NE-OE1 3.01Å; R82-E84 IonicContact NH2-OE1 3.84Å; R82-E84 PolarHBondContact NH2-OE1 2.87Å; E84-V88 HydrophobicContact CB-CG2 4.41Å; E84-L109 HydrophobicContact CG-CB 4.22Å; E84-L109 WeakPolarHBondContact OE2-CG 3.35Å
85	P	61	Low	70.1	Confident	89 Å²	89	69.4 Å²	69.4	58%	0.578	38%	0.384	S	S	*	.			trans	-62.3	156.9	164.6	29.4	-34.8	0	0	0	110.6	D87 V88	P85-D87 PolarHBondContact O-N 3.32Å; P85-D87 VanDerWaalsContact O-N 3.15Å; P85-V88 HydrophobicContact CG-CG2 4.48Å
86	L	57.5	Low	69.3	Low	94 Å²	94	73.2 Å²	73.2	49%	0.492	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.2	-172.3	-133.6	77.1	0	0	0	113	V88 K99 V107	L86-V88 VanDerWaalsContact C-N 3.3Å; L86-V88 PolarHBondContact O-N 3.3Å; L86-K99 PolarHBondContact O-NZ 3.28Å; L86-V107 HydrophobicContact CD1-CB 4.23Å; L86-V107 HydrophobicContact CD1-CG2 3.54Å; L86-V107 HydrophobicContact CG-CG2 4.27Å
87	D	58.2	Low	68.7	Low	138 Å²	138	73.1 Å²	73.1	74%	0.738	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.4	-156.1	-42	-57.2	0	0	0	114.8	P85 A89	P85-D87 PolarHBondContact O-N 3.32Å; P85-D87 VanDerWaalsContact O-N 3.15Å; D87-A89 PolarHBondContact O-N 3.11Å
88	V	60.4	Low	68.5	Low	51 Å²	51	73.2 Å²	73.2	31%	0.309	40%	0.396	S	S	.	.			trans	-67.4	104.5	177.1	-177	0	0	0	0	109.6	E84 P85 L86 W97 K99	E84-V88 HydrophobicContact CB-CG2 4.41Å; P85-V88 HydrophobicContact CG-CG2 4.48Å; L86-V88 VanDerWaalsContact C-N 3.3Å; L86-V88 PolarHBondContact O-N 3.3Å; V88-W97 HydrophobicContact CG1-CH2 4.25Å; V88-K99 VanDerWaalsContact O-CE 3.25Å; V88-K99 WeakPolarHBondContact O-CE 3.27Å; V88-K99 PolarHBondContact O-NZ 2.92Å
89	A	56	Low	68.3	Low	87 Å²	87	71.3 Å²	71.3	72%	0.719	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-66.8	133.2	-176.9	0	0	0	0	0	112.4	D87	D87-A89 PolarHBondContact O-N 3.11Å
90	L	56.1	Low	68.3	Low	27 Å²	27	71 Å²	71	14%	0.141	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-78.8	123.1	175.3	-88.8	149.5	0	0	0	111.2	P92 W97 K99 L170 F172	L90-P92 WeakPolarHBondContact O-CD 3.39Å; L90-W97 HydrophobicContact CB-CH2 4.19Å; L90-W97 HydrophobicContact CD1-CZ3 4.43Å; L90-W97 HydrophobicContact CD2-CD2 4.16Å; L90-W97 HydrophobicContact CD2-CE3 3.56Å; L90-W97 HydrophobicContact CD2-CH2 3.49Å; L90-W97 VanDerWaalsContact CD2-CH2 3.49Å; L90-W97 HydrophobicContact CD2-CZ2 3.97Å; L90-W97 HydrophobicContact CD2-CZ3 3.24Å; L90-W97 HydrophobicContact CG-CE3 4.29Å; L90-W97 HydrophobicContact CG-CH2 3.54Å; L90-W97 HydrophobicContact CG-CZ2 4.37Å; L90-W97 HydrophobicContact CG-CZ3 3.47Å; L90-W97 VanDerWaalsContact CG-CZ3 3.47Å; L90-K99 HydrophobicContact CD1-CD 3.89Å; L90-K99 HydrophobicContact CD1-CG 4.19Å; L90-L170 HydrophobicContact CD1-CB 3.96Å; L90-L170 HydrophobicContact CD1-CD2 3.45Å; L90-L170 VanDerWaalsContact CD1-CD2 3.45Å; L90-L170 HydrophobicContact CD1-CG 4.2Å; L90-F172 HydrophobicContact CB-CE2 4.1Å; L90-F172 HydrophobicContact CB-CZ 3.88Å; L90-F172 HydrophobicContact CD1-CE2 4.36Å
91	K	56.4	Low	68.3	Low	138 Å²	138	69.2 Å²	69.2	60%	0.6	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-80.4	119	162.3	-75.6	173	175.9	176	0	109.2	G93 E94	K91-G93 PolarHBondContact O-N 2.86Å; K91-E94 HydrophobicContact CB-CG 4.16Å; K91-E94 WeakPolarHBondContact CD-OE1 3.22Å; K91-E94 PolarHBondContact O-N 2.14Å
92	P	52.3	Low	68.1	Low	89 Å²	89	65.4 Å²	65.4	58%	0.578	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	125.3	177.7	23.8	-31.6	0	0	0	110.7	L90 F172	L90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-F172 HydrophobicContact CB-CE1 3.73Å; P92-F172 HydrophobicContact CB-CZ 3.88Å; P92-F172 HydrophobicContact CG-CE1 4.06Å; P92-F172 HydrophobicContact CG-CZ 4.46Å
93	G	51.3	Low	67.7	Low	44 Å²	44	66.8 Å²	66.8	45%	0.454	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.8	-3.1	178.6	0	0	0	0	0	115.9	K91 N95	K91-G93 PolarHBondContact O-N 2.86Å; G93-N95 PolarHBondContact O-N 3.09Å; G93-N95 VanDerWaalsContact O-N 3.16Å; G93-N95 PolarHBondContact O-OD1 2.86Å
94	E	59	Low	67.4	Low	83 Å²	83	66.2 Å²	66.2	39%	0.388	38%	0.376	S	S	.	.			trans	-81.8	85.9	171.3	-73	-173.8	-172.5	0	0	111.7	K91 Q96 W97	K91-E94 HydrophobicContact CB-CG 4.16Å; K91-E94 WeakPolarHBondContact CD-OE1 3.22Å; K91-E94 PolarHBondContact O-N 2.14Å; E94-Q96 PolarHBondContact O-N 2.67Å; E94-W97 PolarHBondContact OE2-NE1 3.25Å
95	N	61.7	Low	67.4	Low	33 Å²	33	69.7 Å²	69.7	18%	0.176	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-0.3	-179.3	-69	34.5	0	0	0	115.5	G93 W97 V124 L126	G93-N95 PolarHBondContact O-N 3.09Å; G93-N95 VanDerWaalsContact O-N 3.16Å; G93-N95 PolarHBondContact O-OD1 2.86Å; N95-W97 VanDerWaalsContact C-N 3.33Å; N95-V124 PolarHBondContact ND2-O 2.79Å; N95-L126 WeakPolarHBondContact ND2-CB 3.38Å; N95-L126 PolarHBondContact ND2-N 2.88Å; N95-L126 VanDerWaalsContact OD1-CB 3.31Å; N95-L126 WeakPolarHBondContact OD1-CB 3.41Å
96	Q	70.9	Confident	68.1	Low	84 Å²	84	68.9 Å²	68.9	39%	0.393	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.1	-175.8	-57.4	-56.8	-32.5	0	0	113.5	E94 L112	E94-Q96 PolarHBondContact O-N 2.67Å; Q96-L112 WeakPolarHBondContact O-CA 3.38Å; Q96-L112 PolarHBondContact O-N 2.8Å
97	W	77.8	Confident	69.1	Low	31 Å²	31	64.5 Å²	64.5	12%	0.117	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	152.4	-176.9	56	-84.1	0	0	0	114.4	V88 L90 E94 N95 K99 L109 L110	V88-W97 HydrophobicContact CG1-CH2 4.25Å; L90-W97 HydrophobicContact CB-CH2 4.19Å; L90-W97 HydrophobicContact CD1-CZ3 4.43Å; L90-W97 HydrophobicContact CD2-CD2 4.16Å; L90-W97 HydrophobicContact CD2-CE3 3.56Å; L90-W97 HydrophobicContact CD2-CH2 3.49Å; L90-W97 VanDerWaalsContact CD2-CH2 3.49Å; L90-W97 HydrophobicContact CD2-CZ2 3.97Å; L90-W97 HydrophobicContact CD2-CZ3 3.24Å; L90-W97 HydrophobicContact CG-CE3 4.29Å; L90-W97 HydrophobicContact CG-CH2 3.54Å; L90-W97 HydrophobicContact CG-CZ2 4.37Å; L90-W97 HydrophobicContact CG-CZ3 3.47Å; L90-W97 VanDerWaalsContact CG-CZ3 3.47Å; E94-W97 PolarHBondContact OE2-NE1 3.25Å; N95-W97 VanDerWaalsContact C-N 3.33Å; W97-K99 HydrophobicContact CZ3-CG 4.29Å; W97-L109 HydrophobicContact CB-CD1 4.14Å; W97-L109 HydrophobicContact CB-CD2 3.77Å; W97-L109 HydrophobicContact CD2-CD1 4.01Å; W97-L109 HydrophobicContact CE3-CD1 3.25Å; W97-L109 HydrophobicContact CG-CD1 4.42Å; W97-L109 HydrophobicContact CZ3-CD1 3.71Å; W97-L110 CarbonylContact C-O 3.56Å; W97-L110 VanDerWaalsContact CA-O 3.27Å; W97-L110 WeakPolarHBondContact CA-O 3.21Å
98	W	86.7	Confident	70.3	Confident	11 Å²	11	60.7 Å²	60.7	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.2	-179.5	-62.1	70.3	0	0	0	111.2	I77 L110 L126 A137 I144 F146 Y162 Y166	I77-W98 HydrophobicContact CD1-CD2 3.86Å; I77-W98 HydrophobicContact CD1-CE3 4.18Å; I77-W98 HydrophobicContact CD1-CG 4.35Å; I77-W98 HydrophobicContact CD1-CH2 4.39Å; I77-W98 HydrophobicContact CD1-CZ2 4.05Å; I77-W98 HydrophobicContact CD1-CZ3 4.44Å; W98-L110 HydrophobicContact CB-CB 4.33Å; W98-L110 PolarHBondContact N-O 3.42Å; W98-L110 PolarHBondContact O-N 2.97Å; W98-L126 HydrophobicContact CH2-CD1 3.96Å; W98-L126 HydrophobicContact CZ2-CD1 4.48Å; W98-A137 HydrophobicContact CH2-CB 3.73Å; W98-A137 HydrophobicContact CZ3-CB 3.59Å; W98-I144 HydrophobicContact CB-CD1 3.61Å; W98-I144 HydrophobicContact CD2-CD1 4.31Å; W98-I144 HydrophobicContact CE3-CD1 3.99Å; W98-I144 HydrophobicContact CE3-CG2 4Å; W98-I144 HydrophobicContact CG-CD1 4.18Å; W98-I144 HydrophobicContact CZ3-CG2 4.22Å; W98-F146 AromaticContact CH2-CE1 3.56Å; W98-F146 HydrophobicContact CH2-CE1 3.56Å; W98-F146 AromaticContact CH2-CZ 3.91Å; W98-F146 HydrophobicContact CH2-CZ 3.91Å; W98-F146 AromaticContact CZ2-CE1 3.94Å; W98-F146 HydrophobicContact CZ2-CE1 3.94Å; W98-F146 AromaticContact CZ2-CZ 3.84Å; W98-F146 HydrophobicContact CZ2-CZ 3.84Å; W98-F146 HydrophobicContact CZ3-CE1 4.19Å; W98-Y162 HydrophobicContact CE3-CE1 4.17Å; W98-Y162 HydrophobicContact CH2-CE1 4.12Å; W98-Y162 AromaticContact CZ3-CD1 3.93Å; W98-Y162 HydrophobicContact CZ3-CD1 3.93Å; W98-Y162 AromaticContact CZ3-CE1 3.64Å; W98-Y162 HydrophobicContact CZ3-CE1 3.64Å; W98-Y166 AromaticContact CE3-CE1 3.86Å; W98-Y166 HydrophobicContact CE3-CE1 3.86Å; W98-Y166 AromaticContact CZ3-CE1 3.93Å; W98-Y166 HydrophobicContact CZ3-CE1 3.93Å
99	K	85.3	Confident	71.4	Confident	19 Å²	19	58.3 Å²	58.3	8%	0.083	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.3	174.6	-72.4	-169	176	-170.3	0	111.3	L86 V88 L90 W97 F101 V107 F108 Y166 L170	L86-K99 PolarHBondContact O-NZ 3.28Å; V88-K99 VanDerWaalsContact O-CE 3.25Å; V88-K99 WeakPolarHBondContact O-CE 3.27Å; V88-K99 PolarHBondContact O-NZ 2.92Å; L90-K99 HydrophobicContact CD1-CD 3.89Å; L90-K99 HydrophobicContact CD1-CG 4.19Å; W97-K99 HydrophobicContact CZ3-CG 4.29Å; K99-F101 HydrophobicContact CB-CE2 4.03Å; K99-F101 HydrophobicContact CB-CZ 4.12Å; K99-F101 HydrophobicContact CD-CZ 4.38Å; K99-V107 HydrophobicContact CB-CG1 4.11Å; K99-V107 HydrophobicContact CD-CG1 3.88Å; K99-V107 HydrophobicContact CG-CG1 3.92Å; K99-F108 CarbonylContact C-O 3.56Å; K99-F108 WeakPolarHBondContact CA-O 3.23Å; K99-Y166 WeakPolarHBondContact O-CE2 3.42Å; K99-Y166 PolarHBondContact O-OH 2.86Å; K99-L170 HydrophobicContact CB-CD2 3.89Å; K99-L170 HydrophobicContact CG-CD2 4.49Å
100	I	87.1	Confident	72.9	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.8	172.4	-59.4	168.2	0	0	0	108.4	F108 L110 I144	I100-F108 HydrophobicContact CB-CB 4.32Å; I100-F108 PolarHBondContact N-O 3.14Å; I100-F108 PolarHBondContact O-N 2.88Å; I100-L110 HydrophobicContact CD1-CB 3.95Å; I100-L110 HydrophobicContact CD1-CD2 4.34Å; I100-L110 HydrophobicContact CG1-CB 4.47Å; I100-I144 HydrophobicContact CG1-CD1 3.84Å; I100-I144 HydrophobicContact CG1-CG1 4.16Å
101	F	84.8	Confident	74.2	Confident	37 Å²	37	54.4 Å²	54.4	16%	0.162	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.4	-179.8	-62.2	-90.1	0	0	0	111.2	K99 V107 Q139 Y166 R169 L170	K99-F101 HydrophobicContact CB-CE2 4.03Å; K99-F101 HydrophobicContact CB-CZ 4.12Å; K99-F101 HydrophobicContact CD-CZ 4.38Å; F101-V107 HydrophobicContact CD1-CG2 3.76Å; F101-V107 HydrophobicContact CE1-CG2 3.83Å; F101-Q139 PolarHBondContact O-NE2 3.15Å; F101-Y166 HydrophobicContact CD2-CE2 4.19Å; F101-Y166 HydrophobicContact CE2-CD2 4.44Å; F101-Y166 HydrophobicContact CE2-CE2 4.02Å; F101-R169 HydrophobicContact CD2-CB 4.08Å; F101-R169 HydrophobicContact CE1-CB 4.29Å; F101-R169 HydrophobicContact CE2-CB 3.67Å; F101-R169 HydrophobicContact CZ-CB 3.79Å; F101-R169 WeakPolarHBondContact CZ-O 3.33Å; F101-L170 HydrophobicContact CE2-CD2 3.79Å; F101-L170 HydrophobicContact CE2-CG 4.43Å; F101-L170 HydrophobicContact CZ-CD2 4.04Å
102	S	80.8	Confident	75.6	Confident	28 Å²	28	47.9 Å²	47.9	20%	0.196	26%	0.259	C	S	.	.			trans	-70.1	163	177.9	-172.9	0	0	0	0	112.9	N104 E105 E106	S102-N104 PolarHBondContact O-N 3.28Å; S102-N104 PolarHBondContact OG-N 3.03Å; S102-E105 PolarHBondContact O-N 3.17Å; S102-E106 WeakPolarHBondContact CB-O 3.29Å; S102-E106 PolarHBondContact N-O 3.33Å
103	T	73.7	Confident	76.9	Confident	139 Å²	139	46.9 Å²	46.9	85%	0.853	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.2	169	52.8	0	0	0	0	113.2
104	N	69.2	Low	78.3	Confident	116 Å²	116	47 Å²	47	62%	0.62	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	21.9	-176.9	-55.8	4.8	0	0	0	111.5	S102 E106	S102-N104 PolarHBondContact O-N 3.28Å; S102-N104 PolarHBondContact OG-N 3.03Å; N104-E106 HydrophobicContact CB-CG 4.25Å; N104-E106 PolarHBondContact O-N 3.03Å
105	E	70	Confident	79.4	Confident	114 Å²	114	44.7 Å²	44.7	53%	0.533	24%	0.239	S	C	.	.	S	Bend	trans	57.3	-3.7	-169.7	-57.6	-160.7	154.1	0	0	116.6	S102 V107 R311	S102-E105 PolarHBondContact O-N 3.17Å; E105-V107 PolarHBondContact O-N 3.15Å; E105-R311 IonicContact OE1-CZ 2.94Å; E105-R311 IonicContact OE1-NH1 3.43Å; E105-R311 IonicContact OE1-NH2 3.53Å; E105-R311 PolarHBondContact OE1-NH2 3.39Å; E105-R311 IonicContact OE2-CZ 3.97Å; E105-R311 IonicContact OE2-NH1 3.63Å; E105-R311 PolarHBondContact OE2-NH1 2.96Å; E105-R311 IonicContact OE2-NH2 3.17Å; E105-R311 PolarHBondContact OE2-NH2 2.96Å
106	E	74.4	Confident	80.4	Confident	72 Å²	72	45.6 Å²	45.6	34%	0.336	25%	0.246	S	C	.	.			trans	-58.6	129.5	173	-56.5	-168.5	131.7	0	0	111.9	K83 S102 N104 F108	K83-E106 WeakPolarHBondContact CE-OE1 3.42Å; K83-E106 IonicContact NZ-OE1 2.72Å; K83-E106 PolarHBondContact NZ-OE1 2.86Å; K83-E106 IonicContact NZ-OE2 2.58Å; S102-E106 WeakPolarHBondContact CB-O 3.29Å; S102-E106 PolarHBondContact N-O 3.33Å; N104-E106 HydrophobicContact CB-CG 4.25Å; N104-E106 PolarHBondContact O-N 3.03Å; E106-F108 HydrophobicContact CB-CE2 3.85Å; E106-F108 HydrophobicContact CB-CZ 4.34Å
107	V	79.6	Confident	80.9	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.2	173.7	169.6	0	0	0	0	110	L86 K99 F101 E105	L86-V107 HydrophobicContact CD1-CB 4.23Å; L86-V107 HydrophobicContact CD1-CG2 3.54Å; L86-V107 HydrophobicContact CG-CG2 4.27Å; K99-V107 HydrophobicContact CB-CG1 4.11Å; K99-V107 HydrophobicContact CD-CG1 3.88Å; K99-V107 HydrophobicContact CG-CG1 3.92Å; F101-V107 HydrophobicContact CD1-CG2 3.76Å; F101-V107 HydrophobicContact CE1-CG2 3.83Å; E105-V107 PolarHBondContact O-N 3.15Å
108	F	83.9	Confident	81.4	Confident	58 Å²	58	44 Å²	44	25%	0.254	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.4	169.8	-64.4	-88.5	0	0	0	109.7	I81 K83 K99 I100 E106	I81-F108 HydrophobicContact CG2-CB 3.98Å; I81-F108 HydrophobicContact CG2-CD1 4.08Å; I81-F108 HydrophobicContact CG2-CG 4.4Å; K83-F108 HydrophobicContact CB-CD1 4.18Å; K83-F108 HydrophobicContact CB-CE1 4.16Å; K83-F108 HydrophobicContact CD-CE1 4.18Å; K83-F108 HydrophobicContact CG-CD1 4.29Å; K83-F108 HydrophobicContact CG-CE1 4.05Å; K99-F108 CarbonylContact C-O 3.56Å; K99-F108 WeakPolarHBondContact CA-O 3.23Å; I100-F108 HydrophobicContact CB-CB 4.32Å; I100-F108 PolarHBondContact N-O 3.14Å; I100-F108 PolarHBondContact O-N 2.88Å; E106-F108 HydrophobicContact CB-CE2 3.85Å; E106-F108 HydrophobicContact CB-CZ 4.34Å
109	L	83.5	Confident	81.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.4	-177.9	-171.2	67	0	0	0	107.6	I81 R82 E84 W97 D111	I81-L109 WeakPolarHBondContact CA-O 3.31Å; R82-L109 HydrophobicContact CG-CB 3.72Å; R82-L109 HydrophobicContact CG-CD2 4.07Å; R82-L109 HydrophobicContact CG-CG 4.06Å; R82-L109 PolarHBondContact N-O 2.46Å; R82-L109 PolarHBondContact O-N 2.44Å; E84-L109 HydrophobicContact CG-CB 4.22Å; E84-L109 WeakPolarHBondContact OE2-CG 3.35Å; W97-L109 HydrophobicContact CB-CD1 4.14Å; W97-L109 HydrophobicContact CB-CD2 3.77Å; W97-L109 HydrophobicContact CD2-CD1 4.01Å; W97-L109 HydrophobicContact CE3-CD1 3.25Å; W97-L109 HydrophobicContact CG-CD1 4.42Å; W97-L109 HydrophobicContact CZ3-CD1 3.71Å; L109-D111 HydrophobicContact CD2-CB 4.12Å
110	L	86.2	Confident	81.8	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106.7	175.1	-179.8	70.9	0	0	0	109.1	I77 D80 I81 W97 W98 I100 L112	I77-L110 HydrophobicContact CB-CD2 3.89Å; I77-L110 HydrophobicContact CG2-CD2 3.66Å; D80-L110 CarbonylContact O-C 3.57Å; D80-L110 WeakPolarHBondContact O-CA 3.48Å; I81-L110 HydrophobicContact CD1-CD1 4.33Å; I81-L110 HydrophobicContact CG1-CD1 3.67Å; W97-L110 CarbonylContact C-O 3.56Å; W97-L110 VanDerWaalsContact CA-O 3.27Å; W97-L110 WeakPolarHBondContact CA-O 3.21Å; W98-L110 HydrophobicContact CB-CB 4.33Å; W98-L110 PolarHBondContact N-O 3.42Å; W98-L110 PolarHBondContact O-N 2.97Å; I100-L110 HydrophobicContact CD1-CB 3.95Å; I100-L110 HydrophobicContact CD1-CD2 4.34Å; I100-L110 HydrophobicContact CG1-CB 4.47Å; L110-L112 HydrophobicContact CD2-CD2 4.49Å; L110-L112 HydrophobicContact CG-CD2 4.23Å
111	D	84.3	Confident	82	Confident	28 Å²	28	42.3 Å²	42.3	15%	0.15	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.4	-175	-164.6	-31.7	0	0	0	111.2	G79 D80 R82 L109 S113	G79-D111 CarbonylContact C-O 3.51Å; G79-D111 VanDerWaalsContact CA-O 3.27Å; G79-D111 WeakPolarHBondContact CA-O 3.04Å; D80-D111 HydrophobicContact CB-CB 4.35Å; D80-D111 PolarHBondContact N-O 3.41Å; D80-D111 PolarHBondContact O-N 3.1Å; R82-D111 IonicContact CZ-OD2 3.15Å; R82-D111 IonicContact NH1-OD2 2.67Å; R82-D111 PolarHBondContact NH1-OD2 3.26Å; L109-D111 HydrophobicContact CD2-CB 4.12Å; D111-S113 WeakPolarHBondContact OD1-CB 3.4Å; D111-S113 PolarHBondContact OD1-N 2.94Å; D111-S113 PolarHBondContact OD1-OG 2.96Å
112	L	84.5	Confident	82.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.			trans	-111.3	5.9	-178.3	-51.1	-175.3	0	0	0	112.9	I77 I78 Q96 L110 D114 S118 R122	I77-L112 HydrophobicContact CG2-CD1 3.92Å; I77-L112 HydrophobicContact CG2-CD2 3.64Å; I77-L112 HydrophobicContact CG2-CG 4.42Å; I78-L112 VanDerWaalsContact O-CD2 3.29Å; I78-L112 WeakPolarHBondContact O-CD2 3.4Å; Q96-L112 WeakPolarHBondContact O-CA 3.38Å; Q96-L112 PolarHBondContact O-N 2.8Å; L110-L112 HydrophobicContact CD2-CD2 4.49Å; L110-L112 HydrophobicContact CG-CD2 4.23Å; L112-D114 VanDerWaalsContact C-N 3.35Å; L112-D114 PolarHBondContact O-N 3.21Å; L112-S118 PolarHBondContact O-OG 3.44Å; L112-R122 HydrophobicContact CB-CB 4.04Å; L112-R122 HydrophobicContact CD1-CB 4.12Å; L112-R122 VanDerWaalsContact O-CZ 3.24Å; L112-R122 PolarHBondContact O-NE 3.45Å; L112-R122 PolarHBondContact O-NH2 2.69Å
113	S	80.6	Confident	82.5	Confident	68 Å²	68	42.9 Å²	42.9	48%	0.476	23%	0.229	S	C	.	.			trans	-58.4	-44.7	179.6	58.2	0	0	0	0	112.3	D111 A115 R122	D111-S113 WeakPolarHBondContact OD1-CB 3.4Å; D111-S113 PolarHBondContact OD1-N 2.94Å; D111-S113 PolarHBondContact OD1-OG 2.96Å; S113-A115 PolarHBondContact O-N 3.12Å; S113-R122 PolarHBondContact O-NH2 3.02Å
114	D	80.1	Confident	83.3	Confident	46 Å²	46	36.5 Å²	36.5	25%	0.246	19%	0.19	C	C	.	.			trans	-77.5	105.9	179.5	-172.3	-24	0	0	0	112	L112 T116 K117 S118	L112-D114 VanDerWaalsContact C-N 3.35Å; L112-D114 PolarHBondContact O-N 3.21Å; D114-T116 PolarHBondContact O-N 3.04Å; D114-T116 WeakPolarHBondContact OD1-CA 3.37Å; D114-T116 VanDerWaalsContact OD1-CB 3.3Å; D114-T116 WeakPolarHBondContact OD1-CB 3.31Å; D114-T116 PolarHBondContact OD1-N 2.85Å; D114-T116 PolarHBondContact OD1-OG1 3.44Å; D114-K117 HydrophobicContact CB-CB 4.41Å; D114-K117 HydrophobicContact CB-CG 4.47Å; D114-K117 PolarHBondContact O-N 3.33Å; D114-K117 PolarHBondContact OD1-N 3.17Å; D114-K117 WeakPolarHBondContact OD2-CD 3.5Å; D114-K117 WeakPolarHBondContact OD2-CE 3.24Å; D114-K117 IonicContact OD2-NZ 3.49Å; D114-K117 PolarHBondContact OD2-NZ 3.48Å; D114-S118 WeakPolarHBondContact O-CB 3.48Å; D114-S118 PolarHBondContact O-N 3.08Å; D114-S118 PolarHBondContact O-OG 3.42Å
115	A	82.8	Confident	84.1	Confident	35 Å²	35	31 Å²	31	29%	0.289	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.7	178.8	0	0	0	0	0	114.8	A39 S113	A39-A115 HydrophobicContact CB-CB 4.15Å; A39-A115 WeakPolarHBondContact CB-O 3.32Å; A39-A115 PolarHBondContact N-O 3.08Å; A39-A115 VanDerWaalsContact N-O 3.08Å; S113-A115 PolarHBondContact O-N 3.12Å
116	T	81.3	Confident	84.9	Confident	53 Å²	53	26.3 Å²	26.3	33%	0.325	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-22.2	173.1	76.8	0	0	0	0	112.3	Y38 D114	Y38-T116 WeakPolarHBondContact CB-O 3.34Å; D114-T116 PolarHBondContact O-N 3.04Å; D114-T116 WeakPolarHBondContact OD1-CA 3.37Å; D114-T116 VanDerWaalsContact OD1-CB 3.3Å; D114-T116 WeakPolarHBondContact OD1-CB 3.31Å; D114-T116 PolarHBondContact OD1-N 2.85Å; D114-T116 PolarHBondContact OD1-OG1 3.44Å
117	K	82.9	Confident	85	Confident	82 Å²	82	25.2 Å²	25.2	36%	0.357	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-26.6	-180	-56.9	-176.5	-161.5	123.9	0	113.9	Y38 D80 D114	Y38-K117 WeakPolarHBondContact CE1-O 3.18Å; D80-K117 VanDerWaalsContact OD1-CD 3.23Å; D80-K117 WeakPolarHBondContact OD1-CD 3.48Å; D80-K117 WeakPolarHBondContact OD2-CD 3.3Å; D80-K117 WeakPolarHBondContact OD2-CE 3.3Å; D80-K117 IonicContact OD2-NZ 2.67Å; D80-K117 PolarHBondContact OD2-NZ 2.81Å; D114-K117 HydrophobicContact CB-CB 4.41Å; D114-K117 HydrophobicContact CB-CG 4.47Å; D114-K117 PolarHBondContact O-N 3.33Å; D114-K117 PolarHBondContact OD1-N 3.17Å; D114-K117 WeakPolarHBondContact OD2-CD 3.5Å; D114-K117 WeakPolarHBondContact OD2-CE 3.24Å; D114-K117 IonicContact OD2-NZ 3.49Å; D114-K117 PolarHBondContact OD2-NZ 3.48Å
118	S	87	Confident	84.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-88.8	149.4	177.9	58.1	0	0	0	0	113.4	Y38 A39 I78 L112 D114 R122	Y38-S118 VanDerWaalsContact CD1-O 3.25Å; Y38-S118 WeakPolarHBondContact CD1-O 3.18Å; A39-S118 VanDerWaalsContact CA-O 3.26Å; A39-S118 WeakPolarHBondContact CA-O 3.18Å; A39-S118 WeakPolarHBondContact CB-O 3.37Å; A39-S118 PolarHBondContact N-O 3.39Å; I78-S118 WeakPolarHBondContact O-CA 3.23Å; I78-S118 WeakPolarHBondContact O-CB 3.33Å; L112-S118 PolarHBondContact O-OG 3.44Å; D114-S118 WeakPolarHBondContact O-CB 3.48Å; D114-S118 PolarHBondContact O-N 3.08Å; D114-S118 PolarHBondContact O-OG 3.42Å; S118-R122 VanDerWaalsContact OG-CD 3.25Å; S118-R122 WeakPolarHBondContact OG-CD 3.31Å; S118-R122 PolarHBondContact OG-NE 3.19Å; S118-R122 VanDerWaalsContact OG-NE 3.1Å
119	N	90.3	Very high	83.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.			trans	-88.1	173.2	177.2	71	-14.8	0	0	0	112.8	D27 Y38 S42 P76 I78 M121 R122	D27-N119 PolarHBondContact OD2-ND2 2.89Å; Y38-N119 HydrophobicContact CE1-CB 4.13Å; S42-N119 WeakPolarHBondContact OG-CA 3.32Å; P76-N119 PolarHBondContact O-ND2 2.66Å; I78-N119 HydrophobicContact CB-CB 4.07Å; I78-N119 PolarHBondContact N-OD1 3.27Å; I78-N119 PolarHBondContact O-N 3.39Å; I78-N119 VanDerWaalsContact O-N 3.12Å; N119-M121 PolarHBondContact O-N 3.07Å; N119-R122 WeakPolarHBondContact O-CG 3.5Å; N119-R122 PolarHBondContact O-N 2.85Å
120	W	91.5	Very high	82.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-51.7	-21.9	-177.6	69.9	-84	0	0	0	115.5	D27 A39 S42 L43 P44 L47 V62 F74 R122 F123 V124 L158	D27-W120 PolarHBondContact OD1-NE1 2.91Å; A39-W120 WeakPolarHBondContact O-CA 3.35Å; A39-W120 VanDerWaalsContact O-CB 3.27Å; A39-W120 WeakPolarHBondContact O-CB 3.48Å; A39-W120 PolarHBondContact O-N 3.29Å; S42-W120 VanDerWaalsContact O-CD1 3.31Å; S42-W120 PolarHBondContact OG-N 3.35Å; L43-W120 HydrophobicContact CB-CB 4.03Å; L43-W120 HydrophobicContact CB-CG 4.46Å; L43-W120 HydrophobicContact CD1-CB 3.75Å; L43-W120 HydrophobicContact CD1-CD2 3.96Å; L43-W120 HydrophobicContact CD1-CE3 3.83Å; L43-W120 HydrophobicContact CD1-CG 3.95Å; P44-W120 VanDerWaalsContact CD-CE2 3.5Å; P44-W120 HydrophobicContact CG-CZ2 4.01Å; L47-W120 HydrophobicContact CD1-CE3 4.01Å; L47-W120 HydrophobicContact CD1-CH2 3.56Å; L47-W120 HydrophobicContact CD1-CZ2 4.15Å; L47-W120 HydrophobicContact CD1-CZ3 3.48Å; L47-W120 VanDerWaalsContact CD1-CZ3 3.48Å; V62-W120 HydrophobicContact CG1-CE3 4.23Å; V62-W120 HydrophobicContact CG1-CZ3 4.07Å; V62-W120 HydrophobicContact CG2-CE3 4.1Å; V62-W120 HydrophobicContact CG2-CZ3 4.37Å; F74-W120 HydrophobicContact CB-CH2 4.14Å; F74-W120 HydrophobicContact CB-CZ2 4.01Å; F74-W120 AromaticContact CD1-CH2 3.63Å; F74-W120 HydrophobicContact CD1-CH2 3.63Å; F74-W120 AromaticContact CD1-CZ2 3.83Å; F74-W120 HydrophobicContact CD1-CZ2 3.83Å; F74-W120 HydrophobicContact CE1-CH2 4.3Å; F74-W120 HydrophobicContact CG-CH2 4.14Å; F74-W120 HydrophobicContact CG-CZ2 4.34Å; W120-R122 PolarHBondContact O-N 2.47Å; W120-R122 VanDerWaalsContact O-N 3.14Å; W120-F123 WeakPolarHBondContact O-CD2 3.39Å; W120-F123 PolarHBondContact O-N 3.27Å; W120-V124 HydrophobicContact CE3-CG2 4.31Å; W120-V124 HydrophobicContact CZ3-CG2 3.74Å; W120-L158 HydrophobicContact CH2-CD1 4.41Å; W120-L158 HydrophobicContact CZ3-CD1 4.09Å
121	M	90.8	Very high	81.9	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.025	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22.8	-178.4	-63	-179.9	76.1	0	0	112.5	F74 G75 I77 N119 F123 V124 F146	F74-M121 HydrophobicContact CB-CE 4.3Å; G75-M121 WeakPolarHBondContact CA-SD 3.42Å; I77-M121 HydrophobicContact CB-SD 4.34Å; I77-M121 HydrophobicContact CG1-CB 4.26Å; I77-M121 HydrophobicContact CG1-CE 3.58Å; I77-M121 HydrophobicContact CG1-SD 3.82Å; N119-M121 PolarHBondContact O-N 3.07Å; M121-F123 PolarHBondContact O-N 2.91Å; M121-F123 VanDerWaalsContact O-N 3.13Å; M121-V124 WeakPolarHBondContact O-CB 3.29Å; M121-V124 PolarHBondContact O-N 2.98Å; M121-V124 VanDerWaalsContact O-N 3.13Å; M121-F146 HydrophobicContact CB-CE2 4.06Å; M121-F146 HydrophobicContact CE-CB 4.05Å; M121-F146 HydrophobicContact CE-CD1 3.95Å; M121-F146 HydrophobicContact CE-CD2 3.3Å; M121-F146 HydrophobicContact CE-CE1 4.2Å; M121-F146 HydrophobicContact CE-CE2 3.59Å; M121-F146 HydrophobicContact CE-CG 3.49Å; M121-F146 VanDerWaalsContact CE-CG 3.49Å; M121-F146 HydrophobicContact CE-CZ 4.04Å; M121-F146 HydrophobicContact CG-CE2 4.47Å
122	R	89.1	Confident	81.6	Confident	39 Å²	39	40.5 Å²	40.5	15%	0.147	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-55.8	-23.6	171.8	76.3	-171.1	-56.2	-84.9	-0.2	114.7	L112 S113 S118 N119 W120	L112-R122 HydrophobicContact CB-CB 4.04Å; L112-R122 HydrophobicContact CD1-CB 4.12Å; L112-R122 VanDerWaalsContact O-CZ 3.24Å; L112-R122 PolarHBondContact O-NE 3.45Å; L112-R122 PolarHBondContact O-NH2 2.69Å; S113-R122 PolarHBondContact O-NH2 3.02Å; S118-R122 VanDerWaalsContact OG-CD 3.25Å; S118-R122 WeakPolarHBondContact OG-CD 3.31Å; S118-R122 PolarHBondContact OG-NE 3.19Å; S118-R122 VanDerWaalsContact OG-NE 3.1Å; N119-R122 WeakPolarHBondContact O-CG 3.5Å; N119-R122 PolarHBondContact O-N 2.85Å; W120-R122 PolarHBondContact O-N 2.47Å; W120-R122 VanDerWaalsContact O-N 3.14Å
123	F	87.7	Confident	81.6	Confident	37 Å²	37	40.7 Å²	40.7	16%	0.162	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-93.6	-1.2	-178.2	-57.4	-67.1	0	0	0	113.7	A39 L40 L49 C60 V62 W120 M121	A39-F123 HydrophobicContact CB-CE2 3.72Å; A39-F123 HydrophobicContact CB-CZ 4.1Å; L40-F123 HydrophobicContact CD2-CE2 3.99Å; L40-F123 HydrophobicContact CD2-CZ 4.23Å; L49-F123 HydrophobicContact CD1-CD2 3.98Å; L49-F123 HydrophobicContact CD1-CE2 4.02Å; L49-F123 HydrophobicContact CD1-CG 4.26Å; L49-F123 HydrophobicContact CD1-CZ 4.33Å; L49-F123 HydrophobicContact CD2-CB 3.64Å; L49-F123 HydrophobicContact CD2-CD2 3.94Å; L49-F123 HydrophobicContact CD2-CG 3.86Å; C60-F123 HydrophobicContact CB-CD1 4.48Å; V62-F123 HydrophobicContact CG2-CB 3.69Å; W120-F123 WeakPolarHBondContact O-CD2 3.39Å; W120-F123 PolarHBondContact O-N 3.27Å; M121-F123 PolarHBondContact O-N 2.91Å; M121-F123 VanDerWaalsContact O-N 3.13Å
124	V	89.7	Confident	82.1	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.03	21%	0.206	C	C	.	.	S	Bend	trans	-73.2	134.4	176.6	174.3	0	0	0	0	109.3	V62 N95 W120 M121 L135 F146 L158 A160	V62-V124 HydrophobicContact CB-CG2 4.34Å; V62-V124 HydrophobicContact CG2-CG2 3.95Å; N95-V124 PolarHBondContact ND2-O 2.79Å; W120-V124 HydrophobicContact CE3-CG2 4.31Å; W120-V124 HydrophobicContact CZ3-CG2 3.74Å; M121-V124 WeakPolarHBondContact O-CB 3.29Å; M121-V124 PolarHBondContact O-N 2.98Å; M121-V124 VanDerWaalsContact O-N 3.13Å; V124-L135 HydrophobicContact CG1-CD1 4.03Å; V124-F146 HydrophobicContact CB-CE2 3.79Å; V124-F146 HydrophobicContact CG1-CD2 4.27Å; V124-F146 HydrophobicContact CG1-CE2 3.85Å; V124-F146 HydrophobicContact CG2-CD2 4.26Å; V124-F146 HydrophobicContact CG2-CE2 3.83Å; V124-L158 HydrophobicContact CG1-CB 4.22Å; V124-L158 HydrophobicContact CG2-CB 4.46Å; V124-A160 HydrophobicContact CG1-CB 4.01Å
125	S	86.6	Confident	82.7	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.4	176.2	-79.5	0	0	0	0	110.9	K59 E157 L158 I159 A160	K59-S125 PolarHBondContact NZ-OG 3.27Å; S125-E157 WeakPolarHBondContact CB-OE1 3.4Å; S125-E157 PolarHBondContact OG-OE1 3.36Å; S125-L158 PolarHBondContact N-O 2.76Å; S125-I159 WeakPolarHBondContact O-CA 3.46Å; S125-A160 PolarHBondContact O-N 3.48Å
126	L	86.1	Confident	83	Confident	15 Å²	15	33.9 Å²	33.9	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113	174.8	-170.7	74.1	0	0	0	107.4	N95 W98 A160 W161 Y162	N95-L126 WeakPolarHBondContact ND2-CB 3.38Å; N95-L126 PolarHBondContact ND2-N 2.88Å; N95-L126 VanDerWaalsContact OD1-CB 3.31Å; N95-L126 WeakPolarHBondContact OD1-CB 3.41Å; W98-L126 HydrophobicContact CH2-CD1 3.96Å; W98-L126 HydrophobicContact CZ2-CD1 4.48Å; L126-A160 WeakPolarHBondContact CA-O 3.43Å; L126-A160 HydrophobicContact CD1-CB 4.17Å; L126-W161 HydrophobicContact CD1-CE3 4.16Å; L126-W161 HydrophobicContact CD2-CZ3 4.5Å; L126-W161 HydrophobicContact CG-CE3 3.97Å; L126-W161 HydrophobicContact CG-CZ3 4.02Å; L126-Y162 HydrophobicContact CD1-CE1 4.29Å; L126-Y162 HydrophobicContact CD2-CE1 4.15Å
127	V	77.1	Confident	83.5	Confident	50 Å²	50	31.4 Å²	31.4	30%	0.303	17%	0.165	S	C	.	.			trans	-142.7	124.1	-172	-174.8	0	0	0	0	110.2	N129 I159 A160	V127-N129 PolarHBondContact O-N 3.08Å; V127-I159 HydrophobicContact CB-CG2 3.99Å; V127-I159 HydrophobicContact CG2-CG2 4.15Å; V127-A160 PolarHBondContact N-O 2.93Å
128	P	69.4	Low	83.9	Confident	71 Å²	71	27.5 Å²	27.5	46%	0.461	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	129.8	-179.2	25.4	-32.9	0	0	0	111.5	S130 W161 L178	P128-S130 PolarHBondContact O-N 3.26Å; P128-W161 HydrophobicContact CB-CD2 4.18Å; P128-W161 HydrophobicContact CB-CE3 4.15Å; P128-W161 HydrophobicContact CB-CH2 3.78Å; P128-W161 HydrophobicContact CB-CZ2 3.8Å; P128-W161 HydrophobicContact CB-CZ3 3.96Å; P128-W161 HydrophobicContact CG-CH2 4.22Å; P128-W161 HydrophobicContact CG-CZ3 4.25Å; P128-W161 VanDerWaalsContact N-CE3 3.34Å; P128-L178 HydrophobicContact CB-CD1 4.37Å
129	N	64.6	Low	84	Confident	64 Å²	64	28.5 Å²	28.5	34%	0.342	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.9	41.8	169.1	-160.1	13.8	0	0	0	116.2	V127 L178 A179	V127-N129 PolarHBondContact O-N 3.08Å; N129-L178 HydrophobicContact CB-CB 3.96Å; N129-L178 HydrophobicContact CB-CD1 4.18Å; N129-A179 PolarHBondContact ND2-N 3.11Å
130	S	63.9	Low	83.8	Confident	35 Å²	35	29.1 Å²	29.1	25%	0.245	16%	0.157	C	C	.	.			trans	-78.2	144.2	172.4	74.4	0	0	0	0	110.4	P128 G132 Q133	P128-S130 PolarHBondContact O-N 3.26Å; S130-G132 PolarHBondContact O-N 3.4Å; S130-G132 PolarHBondContact OG-N 3.28Å; S130-Q133 WeakPolarHBondContact O-CB 3.47Å; S130-Q133 PolarHBondContact O-N 3.46Å; S130-Q133 PolarHBondContact OG-N 3.12Å
131	K	69.6	Low	83.4	Confident	211 Å²	211	36.9 Å²	36.9	92%	0.917	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.7	169.4	-66.4	-175.2	177.8	-177.5	0	112.4	K150	K131-K150 PolarHBondContact O-NZ 3.21Å
132	G	77.9	Confident	83.1	Confident	33 Å²	33	40.3 Å²	40.3	34%	0.34	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.6	173.6	0	0	0	0	0	115.2	S130 N134	S130-G132 PolarHBondContact O-N 3.4Å; S130-G132 PolarHBondContact OG-N 3.28Å; G132-N134 PolarHBondContact O-N 3.32Å; G132-N134 VanDerWaalsContact O-N 3.15Å
133	Q	85.6	Confident	83.1	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.023	23%	0.227	C	C	.	.			trans	-50.7	122.7	-176	-172	-169	-13.5	0	0	110.8	S130 L135 I149 K150 W161	S130-Q133 WeakPolarHBondContact O-CB 3.47Å; S130-Q133 PolarHBondContact O-N 3.46Å; S130-Q133 PolarHBondContact OG-N 3.12Å; Q133-L135 WeakPolarHBondContact CG-O 3.42Å; Q133-L135 PolarHBondContact NE2-O 3.13Å; Q133-I149 HydrophobicContact CG-CD1 4.06Å; Q133-K150 WeakPolarHBondContact O-CE 3.43Å; Q133-K150 PolarHBondContact O-NZ 2.84Å; Q133-W161 HydrophobicContact CG-CB 4.43Å
134	N	90.7	Very high	83.3	Confident	4 Å²	4	41 Å²	41	2%	0.021	22%	0.22	C	C	.	.			trans	-133.8	-10.5	-177.7	58.7	24.7	0	0	0	113.3	G132 S148 I149 K150 I152 E157 I159	G132-N134 PolarHBondContact O-N 3.32Å; G132-N134 VanDerWaalsContact O-N 3.15Å; N134-S148 WeakPolarHBondContact O-CA 3.17Å; N134-I149 WeakPolarHBondContact O-CG1 3.46Å; N134-I149 PolarHBondContact O-N 2.6Å; N134-I149 VanDerWaalsContact O-N 3.09Å; N134-K150 HydrophobicContact CB-CG 4.18Å; N134-I152 HydrophobicContact CB-CD1 4.01Å; N134-I152 HydrophobicContact CB-CG1 4.13Å; N134-E157 PolarHBondContact ND2-O 2.96Å; N134-I159 PolarHBondContact N-O 3.37Å; N134-I159 PolarHBondContact OD1-N 3.18Å; N134-I159 PolarHBondContact OD1-O 3.31Å
135	L	91.9	Very high	83.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.7	167.8	-60.5	178.8	0	0	0	111.2	F74 V124 Q133 F146 Y147 I152 L158 I159 A160 W161	F74-L135 HydrophobicContact CD2-CD2 4.02Å; F74-L135 HydrophobicContact CE2-CD2 3.57Å; F74-L135 HydrophobicContact CZ-CD2 4.42Å; V124-L135 HydrophobicContact CG1-CD1 4.03Å; Q133-L135 WeakPolarHBondContact CG-O 3.42Å; Q133-L135 PolarHBondContact NE2-O 3.13Å; L135-F146 HydrophobicContact CB-CB 4.42Å; L135-F146 HydrophobicContact CD1-CB 4.07Å; L135-F146 HydrophobicContact CD1-CD2 3.92Å; L135-F146 HydrophobicContact CD1-CG 4.29Å; L135-Y147 CarbonylContact C-O 3.25Å; L135-Y147 VanDerWaalsContact CA-O 3.3Å; L135-Y147 WeakPolarHBondContact CA-O 3.5Å; L135-I152 HydrophobicContact CD2-CD1 4.08Å; L135-L158 HydrophobicContact CD1-CB 3.92Å; L135-L158 HydrophobicContact CD1-CD1 4.24Å; L135-L158 HydrophobicContact CD1-CD2 4.34Å; L135-L158 HydrophobicContact CD1-CG 4.4Å; L135-I159 PolarHBondContact N-O 2.8Å; L135-A160 HydrophobicContact CB-CB 3.92Å; L135-A160 WeakPolarHBondContact O-CA 3.44Å; L135-W161 PolarHBondContact O-N 3.42Å
136	V	90.4	Very high	83.8	Confident	2 Å²	2	41 Å²	41	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.4	163.2	67	0	0	0	0	109.2	F17 F146 Y147 I149 W161	F17-V136 HydrophobicContact CD1-CG1 4.08Å; F17-V136 HydrophobicContact CD2-CG1 4.08Å; F17-V136 HydrophobicContact CE1-CG1 3.8Å; F17-V136 HydrophobicContact CE2-CG1 3.79Å; F17-V136 HydrophobicContact CE2-CG2 4.36Å; F17-V136 HydrophobicContact CG-CG1 4.23Å; F17-V136 HydrophobicContact CZ-CG1 3.66Å; V136-F146 CarbonylContact O-C 3.52Å; V136-F146 VanDerWaalsContact O-CA 3.3Å; V136-F146 WeakPolarHBondContact O-CA 3.45Å; V136-Y147 PolarHBondContact N-O 3.13Å; V136-Y147 PolarHBondContact O-N 2.85Å; V136-I149 HydrophobicContact CB-CG2 3.64Å; V136-I149 HydrophobicContact CG1-CG2 3.52Å; V136-W161 CarbonylContact C-O 3.5Å; V136-W161 VanDerWaalsContact CA-O 3.3Å; V136-W161 WeakPolarHBondContact CA-O 3.49Å
137	A	91.5	Very high	84.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.4	-178.4	0	0	0	0	0	110.8	W98 F145 F146 W161 S163	W98-A137 HydrophobicContact CH2-CB 3.73Å; W98-A137 HydrophobicContact CZ3-CB 3.59Å; A137-F145 WeakPolarHBondContact CA-O 3.14Å; A137-F146 HydrophobicContact CB-CD1 3.55Å; A137-F146 HydrophobicContact CB-CE1 3.55Å; A137-W161 PolarHBondContact N-O 3.26Å; A137-S163 PolarHBondContact O-N 3.41Å; A137-S163 PolarHBondContact O-OG 3.39Å
138	C	90.5	Very high	84.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.2	-173.1	-47.6	0	0	0	0	110.1	F17 I144 F145 Y147	F17-C138 VanDerWaalsContact CD2-SG 3.56Å; C138-I144 WeakPolarHBondContact O-CA 3.13Å; C138-F145 PolarHBondContact N-O 2.86Å; C138-F145 PolarHBondContact O-N 3.47Å; C138-Y147 HydrophobicContact CB-CD2 4.22Å; C138-Y147 HydrophobicContact CB-CE2 4.05Å
139	Q	89.6	Confident	85.8	Confident	22 Å²	22	34.8 Å²	34.8	10%	0.103	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.7	163.5	-170.3	-169	-26.1	0	0	109.5	F101 Q141 E143 I144 Y166	F101-Q139 PolarHBondContact O-NE2 3.15Å; Q139-Q141 PolarHBondContact NE2-O 2.99Å; Q139-E143 CarbonylContact C-O 3.55Å; Q139-E143 WeakPolarHBondContact CA-O 2.99Å; Q139-I144 HydrophobicContact CB-CG1 4.45Å; Q139-I144 HydrophobicContact CG-CG1 4.38Å; Q139-Y166 HydrophobicContact CB-CD2 3.95Å; Q139-Y166 HydrophobicContact CB-CE2 4.12Å
140	V	85.8	Confident	86.9	Confident	12 Å²	12	35.6 Å²	35.6	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.1	173.5	-179.2	0	0	0	0	107.9	T142 E143 F145	V140-T142 PolarHBondContact O-N 2.95Å; V140-E143 PolarHBondContact N-O 3.36Å; V140-E143 PolarHBondContact O-N 3.34Å; V140-E143 VanDerWaalsContact O-O 3.14Å; V140-F145 HydrophobicContact CB-CD2 3.96Å; V140-F145 HydrophobicContact CB-CE2 4.11Å; V140-F145 HydrophobicContact CG2-CD2 4.1Å
141	Q	83.7	Confident	88.2	Confident	163 Å²	163	37.2 Å²	37.2	76%	0.762	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	-115.1	-170.4	-55.5	178.6	16.2	0	0	111	Q139	Q139-Q141 PolarHBondContact NE2-O 2.99Å
142	T	83.6	Confident	89.2	Confident	77 Å²	77	27.3 Å²	27.3	47%	0.472	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	11.4	178.7	57.4	0	0	0	0	113.3	V140	V140-T142 PolarHBondContact O-N 2.95Å
143	E	89.5	Confident	89.8	Confident	90 Å²	90	28 Å²	28	42%	0.421	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.1	-176.1	-66.6	-176.1	148.2	0	0	110.6	P76 Q139 V140 F145	P76-E143 HydrophobicContact CB-CB 4.01Å; P76-E143 HydrophobicContact CB-CG 4.26Å; Q139-E143 CarbonylContact C-O 3.55Å; Q139-E143 WeakPolarHBondContact CA-O 2.99Å; V140-E143 PolarHBondContact N-O 3.36Å; V140-E143 PolarHBondContact O-N 3.34Å; V140-E143 VanDerWaalsContact O-O 3.14Å; E143-F145 HydrophobicContact CB-CD2 4.39Å; E143-F145 HydrophobicContact CB-CE2 3.64Å; E143-F145 HydrophobicContact CB-CZ 4.06Å; E143-F145 VanDerWaalsContact OE2-CZ 3.25Å; E143-F145 WeakPolarHBondContact OE2-CZ 3.36Å
144	I	91.3	Very high	90.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.6	176.4	-56.9	176.5	0	0	0	108.8	P76 I77 W98 I100 C138 Q139	P76-I144 CarbonylContact C-O 3.57Å; P76-I144 VanDerWaalsContact CA-O 3.32Å; P76-I144 WeakPolarHBondContact CA-O 3.47Å; I77-I144 HydrophobicContact CD1-CB 3.89Å; I77-I144 HydrophobicContact CD1-CG2 3.52Å; I77-I144 HydrophobicContact CG1-CB 4.19Å; I77-I144 HydrophobicContact CG1-CG2 4.18Å; I77-I144 PolarHBondContact N-O 3.12Å; W98-I144 HydrophobicContact CB-CD1 3.61Å; W98-I144 HydrophobicContact CD2-CD1 4.31Å; W98-I144 HydrophobicContact CE3-CD1 3.99Å; W98-I144 HydrophobicContact CE3-CG2 4Å; W98-I144 HydrophobicContact CG-CD1 4.18Å; W98-I144 HydrophobicContact CZ3-CG2 4.22Å; I100-I144 HydrophobicContact CG1-CD1 3.84Å; I100-I144 HydrophobicContact CG1-CG1 4.16Å; C138-I144 WeakPolarHBondContact O-CA 3.13Å; Q139-I144 HydrophobicContact CB-CG1 4.45Å; Q139-I144 HydrophobicContact CG-CG1 4.38Å
145	F	93.6	Very high	90	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.6	-178.3	-65.5	-84.6	0	0	0	111	R73 F74 P76 A137 C138 V140 E143 Y147	R73-F145 VanDerWaalsContact CD-CD1 3.5Å; R73-F145 HydrophobicContact CG-CB 3.97Å; R73-F145 HydrophobicContact CG-CD1 3.78Å; R73-F145 HydrophobicContact CG-CG 4.11Å; F74-F145 WeakPolarHBondContact O-CD1 3.28Å; P76-F145 HydrophobicContact CB-CD1 4.4Å; P76-F145 HydrophobicContact CB-CE1 3.89Å; P76-F145 HydrophobicContact CB-CZ 4.03Å; P76-F145 HydrophobicContact CG-CE1 4.39Å; A137-F145 WeakPolarHBondContact CA-O 3.14Å; C138-F145 PolarHBondContact N-O 2.86Å; C138-F145 PolarHBondContact O-N 3.47Å; V140-F145 HydrophobicContact CB-CD2 3.96Å; V140-F145 HydrophobicContact CB-CE2 4.11Å; V140-F145 HydrophobicContact CG2-CD2 4.1Å; E143-F145 HydrophobicContact CB-CD2 4.39Å; E143-F145 HydrophobicContact CB-CE2 3.64Å; E143-F145 HydrophobicContact CB-CZ 4.06Å; E143-F145 VanDerWaalsContact OE2-CZ 3.25Å; E143-F145 WeakPolarHBondContact OE2-CZ 3.36Å; F145-Y147 HydrophobicContact CB-CD2 4.27Å; F145-Y147 HydrophobicContact CB-CE2 3.6Å
146	F	93.9	Very high	89.9	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.7	167.2	-58.4	-21.3	0	0	0	110.4	R73 F74 I77 W98 M121 V124 L135 V136 A137	R73-F146 CarbonylContact C-O 3.22Å; R73-F146 WeakPolarHBondContact CA-O 3.49Å; F74-F146 HydrophobicContact CB-CB 4.32Å; F74-F146 HydrophobicContact CD2-CB 4.39Å; F74-F146 PolarHBondContact N-O 3.27Å; F74-F146 PolarHBondContact O-N 2.85Å; F74-F146 VanDerWaalsContact O-N 3.12Å; I77-F146 HydrophobicContact CD1-CE1 3.69Å; I77-F146 HydrophobicContact CD1-CZ 3.82Å; I77-F146 HydrophobicContact CG1-CE1 4.36Å; I77-F146 HydrophobicContact CG1-CZ 4.37Å; W98-F146 AromaticContact CH2-CE1 3.56Å; W98-F146 HydrophobicContact CH2-CE1 3.56Å; W98-F146 AromaticContact CH2-CZ 3.91Å; W98-F146 HydrophobicContact CH2-CZ 3.91Å; W98-F146 AromaticContact CZ2-CE1 3.94Å; W98-F146 HydrophobicContact CZ2-CE1 3.94Å; W98-F146 AromaticContact CZ2-CZ 3.84Å; W98-F146 HydrophobicContact CZ2-CZ 3.84Å; W98-F146 HydrophobicContact CZ3-CE1 4.19Å; M121-F146 HydrophobicContact CB-CE2 4.06Å; M121-F146 HydrophobicContact CE-CB 4.05Å; M121-F146 HydrophobicContact CE-CD1 3.95Å; M121-F146 HydrophobicContact CE-CD2 3.3Å; M121-F146 HydrophobicContact CE-CE1 4.2Å; M121-F146 HydrophobicContact CE-CE2 3.59Å; M121-F146 HydrophobicContact CE-CG 3.49Å; M121-F146 VanDerWaalsContact CE-CG 3.49Å; M121-F146 HydrophobicContact CE-CZ 4.04Å; M121-F146 HydrophobicContact CG-CE2 4.47Å; V124-F146 HydrophobicContact CB-CE2 3.79Å; V124-F146 HydrophobicContact CG1-CD2 4.27Å; V124-F146 HydrophobicContact CG1-CE2 3.85Å; V124-F146 HydrophobicContact CG2-CD2 4.26Å; V124-F146 HydrophobicContact CG2-CE2 3.83Å; L135-F146 HydrophobicContact CB-CB 4.42Å; L135-F146 HydrophobicContact CD1-CB 4.07Å; L135-F146 HydrophobicContact CD1-CD2 3.92Å; L135-F146 HydrophobicContact CD1-CG 4.29Å; V136-F146 CarbonylContact O-C 3.52Å; V136-F146 VanDerWaalsContact O-CA 3.3Å; V136-F146 WeakPolarHBondContact O-CA 3.45Å; A137-F146 HydrophobicContact CB-CD1 3.55Å; A137-F146 HydrophobicContact CB-CE1 3.55Å
147	Y	92.9	Very high	90	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136	177.3	-65.5	-97	0	0	0	110.5	F17 C21 S72 R73 L135 V136 C138 F145 I149	F17-Y147 HydrophobicContact CB-CD1 3.97Å; F17-Y147 HydrophobicContact CB-CD2 3.89Å; F17-Y147 HydrophobicContact CB-CE1 4.14Å; F17-Y147 HydrophobicContact CB-CE2 4.08Å; F17-Y147 HydrophobicContact CB-CG 3.83Å; F17-Y147 HydrophobicContact CD1-CG 4.49Å; F17-Y147 HydrophobicContact CG-CG 4.37Å; F17-Y147 VanDerWaalsContact O-CE1 3.27Å; F17-Y147 WeakPolarHBondContact O-CE1 3.22Å; C21-Y147 HydrophobicContact CB-CE1 4.12Å; S72-Y147 WeakPolarHBondContact O-CA 3.36Å; R73-Y147 HydrophobicContact CB-CD1 3.93Å; R73-Y147 HydrophobicContact CB-CE1 3.73Å; R73-Y147 WeakPolarHBondContact CD-OH 3.37Å; R73-Y147 HydrophobicContact CG-CD1 4.06Å; R73-Y147 HydrophobicContact CG-CE1 3.6Å; R73-Y147 HydrophobicContact CG-CE2 4.3Å; L135-Y147 CarbonylContact C-O 3.25Å; L135-Y147 VanDerWaalsContact CA-O 3.3Å; L135-Y147 WeakPolarHBondContact CA-O 3.5Å; V136-Y147 PolarHBondContact N-O 3.13Å; V136-Y147 PolarHBondContact O-N 2.85Å; C138-Y147 HydrophobicContact CB-CD2 4.22Å; C138-Y147 HydrophobicContact CB-CE2 4.05Å; F145-Y147 HydrophobicContact CB-CD2 4.27Å; F145-Y147 HydrophobicContact CB-CE2 3.6Å; Y147-I149 PolarHBondContact O-N 3.15Å
148	S	92.1	Very high	90	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	107.5	177.3	52.5	0	0	0	0	112.8	P69 N71 S72 N134 K150	P69-S148 PolarHBondContact O-OG 3.17Å; N71-S148 PolarHBondContact N-O 2.67Å; N71-S148 PolarHBondContact N-OG 2.8Å; S72-S148 WeakPolarHBondContact CB-OG 3.2Å; S72-S148 PolarHBondContact N-OG 3Å; S72-S148 PolarHBondContact O-N 2.58Å; N134-S148 WeakPolarHBondContact O-CA 3.17Å; S148-K150 VanDerWaalsContact C-N 3.27Å; S148-K150 PolarHBondContact O-N 2.91Å
149	I	89	Confident	90	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	22%	0.224	C	C	.	.	S	Bend	trans	-70	-22.8	179.5	54.5	165.7	0	0	0	113.4	W9 F17 Q70 Q133 N134 V136 Y147	W9-I149 HydrophobicContact CB-CB 4.37Å; W9-I149 HydrophobicContact CB-CG2 4.21Å; W9-I149 HydrophobicContact CD2-CB 4.06Å; W9-I149 HydrophobicContact CD2-CD1 3.77Å; W9-I149 HydrophobicContact CD2-CG2 4.04Å; W9-I149 HydrophobicContact CE3-CB 4.33Å; W9-I149 HydrophobicContact CE3-CD1 3.82Å; W9-I149 HydrophobicContact CE3-CG2 3.85Å; W9-I149 HydrophobicContact CG-CB 4.06Å; W9-I149 HydrophobicContact CG-CG2 4.19Å; W9-I149 HydrophobicContact CH2-CD1 3.78Å; W9-I149 HydrophobicContact CZ2-CD1 3.72Å; W9-I149 HydrophobicContact CZ3-CD1 3.82Å; F17-I149 HydrophobicContact CE1-CG2 4.15Å; F17-I149 HydrophobicContact CZ-CG2 4.26Å; Q70-I149 PolarHBondContact NE2-O 3.3Å; Q133-I149 HydrophobicContact CG-CD1 4.06Å; N134-I149 WeakPolarHBondContact O-CG1 3.46Å; N134-I149 PolarHBondContact O-N 2.6Å; N134-I149 VanDerWaalsContact O-N 3.09Å; V136-I149 HydrophobicContact CB-CG2 3.64Å; V136-I149 HydrophobicContact CG1-CG2 3.52Å; Y147-I149 PolarHBondContact O-N 3.15Å
150	K	88.7	Confident	90.1	Very high	82 Å²	82	40.9 Å²	40.9	36%	0.357	22%	0.219	S	C	.	.	S	Bend	trans	-141.3	158.7	177.1	69.6	-159.4	-168.8	-161.7	0	110.9	K131 Q133 N134 S148 I152	K131-K150 PolarHBondContact O-NZ 3.21Å; Q133-K150 WeakPolarHBondContact O-CE 3.43Å; Q133-K150 PolarHBondContact O-NZ 2.84Å; N134-K150 HydrophobicContact CB-CG 4.18Å; S148-K150 VanDerWaalsContact C-N 3.27Å; S148-K150 PolarHBondContact O-N 2.91Å; K150-I152 WeakPolarHBondContact O-CG1 3.39Å; K150-I152 PolarHBondContact O-N 3.45Å
151	P	90	Very high	90.2	Very high	68 Å²	68	40.7 Å²	40.7	44%	0.442	22%	0.217	S	C	.	.			trans	-56	133.4	170.9	-24.4	35	0	0	0	111.3	Y67 Q70	Y67-P151 HydrophobicContact CE2-CB 4.02Å; Q70-P151 HydrophobicContact CB-CG 4.24Å
152	I	91.9	Very high	90.4	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-108.6	123	-179.6	-39.1	-175.6	0	0	0	108.4	T64 Y67 I68 N134 L135 K150 T156 L158	T64-I152 HydrophobicContact CG2-CB 4.49Å; T64-I152 HydrophobicContact CG2-CG2 3.8Å; Y67-I152 WeakPolarHBondContact CA-O 3.4Å; I68-I152 HydrophobicContact CB-CB 4.13Å; I68-I152 HydrophobicContact CB-CG1 4.38Å; I68-I152 PolarHBondContact N-O 2.78Å; I68-I152 PolarHBondContact O-N 3.4Å; N134-I152 HydrophobicContact CB-CD1 4.01Å; N134-I152 HydrophobicContact CB-CG1 4.13Å; L135-I152 HydrophobicContact CD2-CD1 4.08Å; K150-I152 WeakPolarHBondContact O-CG1 3.39Å; K150-I152 PolarHBondContact O-N 3.45Å; I152-T156 HydrophobicContact CG2-CG2 3.9Å; I152-L158 HydrophobicContact CD1-CD2 3.66Å; I152-L158 HydrophobicContact CG2-CD2 4.42Å
153	A	90.7	Very high	90.5	Very high	49 Å²	49	29.9 Å²	29.9	41%	0.405	16%	0.161	S	C	.	.			trans	-70.1	165.1	175.4	0	0	0	0	0	111.1	T64 T156	T64-A153 PolarHBondContact OG1-O 2.79Å; A153-T156 PolarHBondContact O-OG1 3.17Å
154	P	90.4	Very high	90	Very high	59 Å²	59	26.4 Å²	26.4	38%	0.383	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	156.8	163.2	-17.7	30.7	0	0	0	111.5	T64 T156	T64-P154 VanDerWaalsContact OG1-C 3.23Å; T64-P154 WeakPolarHBondContact OG1-CA 3.3Å; P154-T156 PolarHBondContact O-N 3.05Å; P154-T156 VanDerWaalsContact O-N 3.15Å; P154-T156 PolarHBondContact O-OG1 3.39Å
155	H	88.9	Confident	89.6	Confident	123 Å²	123	28.8 Å²	28.8	57%	0.569	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	27.7	176.9	-50.3	-43.9	0	0	0	115.1	T64	T64-H155 VanDerWaalsContact O-CA 3.32Å; T64-H155 WeakPolarHBondContact O-CA 3.45Å; T64-H155 PolarHBondContact O-N 2.99Å; T64-H155 PolarHBondContact O-ND1 3.27Å; T64-H155 PolarHBondContact OG1-N 2.96Å
156	T	90.9	Very high	89.3	Confident	49 Å²	49	28.9 Å²	28.9	30%	0.301	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-103.5	138	175.5	-52.5	0	0	0	0	109.7	V63 T64 I152 A153 P154	V63-T156 WeakPolarHBondContact CA-O 3.47Å; T64-T156 PolarHBondContact N-O 3.15Å; T64-T156 PolarHBondContact OG1-N 2.93Å; T64-T156 PolarHBondContact OG1-O 3.1Å; I152-T156 HydrophobicContact CG2-CG2 3.9Å; A153-T156 PolarHBondContact O-OG1 3.17Å; P154-T156 PolarHBondContact O-N 3.05Å; P154-T156 VanDerWaalsContact O-N 3.15Å; P154-T156 PolarHBondContact O-OG1 3.39Å
157	E	91.5	Very high	88.8	Confident	50 Å²	50	28.8 Å²	28.8	23%	0.234	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-65.2	140.4	172.4	-174.3	-178.8	172.3	0	0	111.1	V61 V62 S125 N134 I159	V61-E157 HydrophobicContact CB-CG 4.02Å; V61-E157 WeakPolarHBondContact CG1-OE1 3.41Å; V61-E157 HydrophobicContact CG2-CG 4.13Å; V62-E157 CarbonylContact O-C 3.56Å; V62-E157 WeakPolarHBondContact O-CA 3.37Å; S125-E157 WeakPolarHBondContact CB-OE1 3.4Å; S125-E157 PolarHBondContact OG-OE1 3.36Å; N134-E157 PolarHBondContact ND2-O 2.96Å; E157-I159 HydrophobicContact CB-CD1 4.49Å; E157-I159 HydrophobicContact CB-CG1 4.3Å; E157-I159 HydrophobicContact CG-CD1 4.41Å; E157-I159 HydrophobicContact CG-CG1 3.9Å
158	L	92.4	Very high	88.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-82.9	117	169.2	-64.2	-173.7	0	0	0	110.2	L47 V62 T64 W120 V124 S125 L135 I152	L47-L158 HydrophobicContact CD1-CD1 3.93Å; L47-L158 HydrophobicContact CD2-CD1 3.85Å; V62-L158 HydrophobicContact CB-CB 4.36Å; V62-L158 HydrophobicContact CB-CD1 4.25Å; V62-L158 HydrophobicContact CB-CG 4.47Å; V62-L158 HydrophobicContact CG1-CD1 3.7Å; V62-L158 HydrophobicContact CG1-CG 4.22Å; V62-L158 PolarHBondContact O-N 2.94Å; T64-L158 HydrophobicContact CG2-CD2 3.83Å; T64-L158 HydrophobicContact CG2-CG 4.47Å; W120-L158 HydrophobicContact CH2-CD1 4.41Å; W120-L158 HydrophobicContact CZ3-CD1 4.09Å; V124-L158 HydrophobicContact CG1-CB 4.22Å; V124-L158 HydrophobicContact CG2-CB 4.46Å; S125-L158 PolarHBondContact N-O 2.76Å; L135-L158 HydrophobicContact CD1-CB 3.92Å; L135-L158 HydrophobicContact CD1-CD1 4.24Å; L135-L158 HydrophobicContact CD1-CD2 4.34Å; L135-L158 HydrophobicContact CD1-CG 4.4Å; I152-L158 HydrophobicContact CD1-CD2 3.66Å; I152-L158 HydrophobicContact CG2-CD2 4.42Å
159	I	90.3	Very high	87.7	Confident	20 Å²	20	40.7 Å²	40.7	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.6	-177.9	-56.1	174.5	0	0	0	108.5	S125 V127 N134 L135 E157	S125-I159 WeakPolarHBondContact O-CA 3.46Å; V127-I159 HydrophobicContact CB-CG2 3.99Å; V127-I159 HydrophobicContact CG2-CG2 4.15Å; N134-I159 PolarHBondContact N-O 3.37Å; N134-I159 PolarHBondContact OD1-N 3.18Å; N134-I159 PolarHBondContact OD1-O 3.31Å; L135-I159 PolarHBondContact N-O 2.8Å; E157-I159 HydrophobicContact CB-CD1 4.49Å; E157-I159 HydrophobicContact CB-CG1 4.3Å; E157-I159 HydrophobicContact CG-CD1 4.41Å; E157-I159 HydrophobicContact CG-CG1 3.9Å
160	A	90.5	Very high	87.4	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	156.2	179.2	0	0	0	0	0	112.4	V124 S125 L126 V127 L135	V124-A160 HydrophobicContact CG1-CB 4.01Å; S125-A160 PolarHBondContact O-N 3.48Å; L126-A160 WeakPolarHBondContact CA-O 3.43Å; L126-A160 HydrophobicContact CD1-CB 4.17Å; V127-A160 PolarHBondContact N-O 2.93Å; L135-A160 HydrophobicContact CB-CB 3.92Å; L135-A160 WeakPolarHBondContact O-CA 3.44Å
161	W	87.8	Confident	86.7	Confident	8 Å²	8	40.6 Å²	40.6	3%	0.03	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	168	154.9	-167.1	-110.6	0	0	0	109.3	L126 P128 Q133 L135 V136 A137	L126-W161 HydrophobicContact CD1-CE3 4.16Å; L126-W161 HydrophobicContact CD2-CZ3 4.5Å; L126-W161 HydrophobicContact CG-CE3 3.97Å; L126-W161 HydrophobicContact CG-CZ3 4.02Å; P128-W161 HydrophobicContact CB-CD2 4.18Å; P128-W161 HydrophobicContact CB-CE3 4.15Å; P128-W161 HydrophobicContact CB-CH2 3.78Å; P128-W161 HydrophobicContact CB-CZ2 3.8Å; P128-W161 HydrophobicContact CB-CZ3 3.96Å; P128-W161 HydrophobicContact CG-CH2 4.22Å; P128-W161 HydrophobicContact CG-CZ3 4.25Å; P128-W161 VanDerWaalsContact N-CE3 3.34Å; Q133-W161 HydrophobicContact CG-CB 4.43Å; L135-W161 PolarHBondContact O-N 3.42Å; V136-W161 CarbonylContact C-O 3.5Å; V136-W161 VanDerWaalsContact CA-O 3.3Å; V136-W161 WeakPolarHBondContact CA-O 3.49Å; A137-W161 PolarHBondContact N-O 3.26Å
162	Y	87.7	Confident	86	Confident	11 Å²	11	38.8 Å²	38.8	4%	0.043	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	147.5	178.5	-51.6	-55.3	0	0	0	112.3	W98 L126 Y166 L170 F172	W98-Y162 HydrophobicContact CE3-CE1 4.17Å; W98-Y162 HydrophobicContact CH2-CE1 4.12Å; W98-Y162 AromaticContact CZ3-CD1 3.93Å; W98-Y162 HydrophobicContact CZ3-CD1 3.93Å; W98-Y162 AromaticContact CZ3-CE1 3.64Å; W98-Y162 HydrophobicContact CZ3-CE1 3.64Å; L126-Y162 HydrophobicContact CD1-CE1 4.29Å; L126-Y162 HydrophobicContact CD2-CE1 4.15Å; Y162-Y166 AromaticContact CD1-CD1 3.59Å; Y162-Y166 HydrophobicContact CD1-CD1 3.59Å; Y162-Y166 AromaticContact CD1-CE1 3.49Å; Y162-Y166 HydrophobicContact CD1-CE1 3.49Å; Y162-Y166 VanDerWaalsContact CD1-CE1 3.49Å; Y162-Y166 HydrophobicContact CE1-CD1 4.41Å; Y162-Y166 AromaticContact CE1-CE1 3.87Å; Y162-Y166 HydrophobicContact CE1-CE1 3.87Å; Y162-Y166 HydrophobicContact CG-CD1 4.1Å; Y162-Y166 HydrophobicContact CG-CE1 4.37Å; Y162-L170 HydrophobicContact CD1-CD1 3.71Å; Y162-L170 HydrophobicContact CD2-CD1 3.8Å; Y162-L170 HydrophobicContact CE1-CD1 3.6Å; Y162-L170 HydrophobicContact CE2-CD1 3.7Å; Y162-L170 HydrophobicContact CG-CD1 3.78Å; Y162-F172 AromaticContact CD2-CD2 3.9Å; Y162-F172 HydrophobicContact CD2-CD2 3.9Å; Y162-F172 AromaticContact CE2-CD2 3.46Å; Y162-F172 HydrophobicContact CE2-CD2 3.46Å; Y162-F172 VanDerWaalsContact CE2-CD2 3.46Å; Y162-F172 AromaticContact CE2-CE2 3.71Å; Y162-F172 HydrophobicContact CE2-CE2 3.71Å; Y162-F172 HydrophobicContact CE2-CG 4.42Å
163	S	86.3	Confident	84.8	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.021	23%	0.232	C	C	.	.			trans	-67.2	155.3	163.6	58.7	0	0	0	0	110.2	A137 D165 Y166 A167	A137-S163 PolarHBondContact O-N 3.41Å; A137-S163 PolarHBondContact O-OG 3.39Å; S163-D165 VanDerWaalsContact C-N 3.32Å; S163-D165 WeakPolarHBondContact CB-OD1 3.05Å; S163-D165 PolarHBondContact O-N 2.93Å; S163-D165 PolarHBondContact OG-OD1 3.21Å; S163-Y166 CarbonylContact O-C 3.48Å; S163-Y166 PolarHBondContact O-N 3.45Å; S163-Y166 WeakPolarHBondContact OG-CB 3.25Å; S163-A167 WeakPolarHBondContact O-CB 2.99Å; S163-A167 PolarHBondContact O-N 2.92Å
164	S	79.1	Confident	83.5	Confident	17 Å²	17	39.5 Å²	39.5	12%	0.119	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-34.4	-171.6	-65.6	0	0	0	0	113.7	E10 L168 P174	E10-S164 WeakPolarHBondContact O-CB 3.46Å; E10-S164 PolarHBondContact O-OG 3.27Å; S164-L168 WeakPolarHBondContact O-CD1 3.27Å; S164-L168 VanDerWaalsContact O-CG 3.23Å; S164-L168 WeakPolarHBondContact O-CG 3.26Å; S164-L168 PolarHBondContact O-N 2.95Å; S164-P174 WeakPolarHBondContact OG-CB 3.45Å
165	D	83.3	Confident	82	Confident	51 Å²	51	36.8 Å²	36.8	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-68.2	-31.6	172.2	61.9	-25	0	0	0	113.5	S13 G14 S163 R169	S13-D165 WeakPolarHBondContact CA-OD2 3.23Å; S13-D165 WeakPolarHBondContact CB-OD2 3.44Å; G14-D165 PolarHBondContact N-OD2 3.33Å; S163-D165 VanDerWaalsContact C-N 3.32Å; S163-D165 WeakPolarHBondContact CB-OD1 3.05Å; S163-D165 PolarHBondContact O-N 2.93Å; S163-D165 PolarHBondContact OG-OD1 3.21Å; D165-R169 WeakPolarHBondContact O-CG 3.47Å
166	Y	86.4	Confident	80.5	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-83.3	-40.1	177.4	-173.9	-125.6	0	0	0	111.5	W98 K99 F101 Q139 Y162 S163 L168 R169 L170	W98-Y166 AromaticContact CE3-CE1 3.86Å; W98-Y166 HydrophobicContact CE3-CE1 3.86Å; W98-Y166 AromaticContact CZ3-CE1 3.93Å; W98-Y166 HydrophobicContact CZ3-CE1 3.93Å; K99-Y166 WeakPolarHBondContact O-CE2 3.42Å; K99-Y166 PolarHBondContact O-OH 2.86Å; F101-Y166 HydrophobicContact CD2-CE2 4.19Å; F101-Y166 HydrophobicContact CE2-CD2 4.44Å; F101-Y166 HydrophobicContact CE2-CE2 4.02Å; Q139-Y166 HydrophobicContact CB-CD2 3.95Å; Q139-Y166 HydrophobicContact CB-CE2 4.12Å; Y162-Y166 AromaticContact CD1-CD1 3.59Å; Y162-Y166 HydrophobicContact CD1-CD1 3.59Å; Y162-Y166 AromaticContact CD1-CE1 3.49Å; Y162-Y166 HydrophobicContact CD1-CE1 3.49Å; Y162-Y166 VanDerWaalsContact CD1-CE1 3.49Å; Y162-Y166 HydrophobicContact CE1-CD1 4.41Å; Y162-Y166 AromaticContact CE1-CE1 3.87Å; Y162-Y166 HydrophobicContact CE1-CE1 3.87Å; Y162-Y166 HydrophobicContact CG-CD1 4.1Å; Y162-Y166 HydrophobicContact CG-CE1 4.37Å; S163-Y166 CarbonylContact O-C 3.48Å; S163-Y166 PolarHBondContact O-N 3.45Å; S163-Y166 WeakPolarHBondContact OG-CB 3.25Å; Y166-L168 PolarHBondContact O-N 2.82Å; Y166-R169 PolarHBondContact O-N 3.06Å; Y166-L170 HydrophobicContact CD1-CD1 3.98Å; Y166-L170 HydrophobicContact CE1-CD1 3.68Å; Y166-L170 HydrophobicContact CE1-CG 4.5Å; Y166-L170 HydrophobicContact CE2-CD1 4.35Å; Y166-L170 HydrophobicContact CE2-CD2 4.15Å; Y166-L170 HydrophobicContact CE2-CG 4.32Å; Y166-L170 HydrophobicContact CG-CD1 4.41Å; Y166-L170 VanDerWaalsContact O-CG 3.3Å; Y166-L170 WeakPolarHBondContact O-CG 3.35Å; Y166-L170 PolarHBondContact O-N 3.16Å; Y166-L170 VanDerWaalsContact O-N 3.13Å
167	A	83.8	Confident	78.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55	-50.1	174.2	0	0	0	0	0	111.4	S163 R169 L170 G171 F172	S163-A167 WeakPolarHBondContact O-CB 2.99Å; S163-A167 PolarHBondContact O-N 2.92Å; A167-R169 VanDerWaalsContact C-N 3.32Å; A167-R169 PolarHBondContact O-N 2.91Å; A167-L170 CarbonylContact O-C 3.57Å; A167-L170 WeakPolarHBondContact O-CA 3.26Å; A167-L170 WeakPolarHBondContact O-CB 3.3Å; A167-L170 PolarHBondContact O-N 3.41Å; A167-G171 PolarHBondContact O-N 3.13Å; A167-G171 VanDerWaalsContact O-N 3.17Å; A167-F172 CarbonylContact C-O 3.54Å; A167-F172 HydrophobicContact CB-CB 4.34Å; A167-F172 PolarHBondContact O-N 2.95Å
168	L	80.5	Confident	76.7	Confident	106 Å²	106	33.1 Å²	33.1	56%	0.555	18%	0.184	S	C	*	.	H	α-helix	trans	-58.1	-41.5	178.3	-72.6	168.4	0	0	0	112.2	S164 Y166 L170 G171	S164-L168 WeakPolarHBondContact O-CD1 3.27Å; S164-L168 VanDerWaalsContact O-CG 3.23Å; S164-L168 WeakPolarHBondContact O-CG 3.26Å; S164-L168 PolarHBondContact O-N 2.95Å; Y166-L168 PolarHBondContact O-N 2.82Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.28Å; L168-G171 PolarHBondContact O-N 3.29Å; L168-G171 VanDerWaalsContact O-N 3.11Å
169	R	81.9	Confident	74.5	Confident	146 Å²	146	34.9 Å²	34.9	55%	0.551	20%	0.199	S	C	*	.	H	α-helix	trans	-65.5	-28.6	175.9	-69.8	173.5	179.2	-150.8	-3.4	113.6	F101 D165 Y166 A167 G171	F101-R169 HydrophobicContact CD2-CB 4.08Å; F101-R169 HydrophobicContact CE1-CB 4.29Å; F101-R169 HydrophobicContact CE2-CB 3.67Å; F101-R169 HydrophobicContact CZ-CB 3.79Å; F101-R169 WeakPolarHBondContact CZ-O 3.33Å; D165-R169 WeakPolarHBondContact O-CG 3.47Å; Y166-R169 PolarHBondContact O-N 3.06Å; A167-R169 VanDerWaalsContact C-N 3.32Å; A167-R169 PolarHBondContact O-N 2.91Å; R169-G171 VanDerWaalsContact C-N 3.31Å
170	L	81.4	Confident	72.4	Confident	19 Å²	19	38.5 Å²	38.5	10%	0.099	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.3	175.7	-59.1	170	0	0	0	112.8	L90 K99 F101 Y162 Y166 A167 L168 F172	L90-L170 HydrophobicContact CD1-CB 3.96Å; L90-L170 HydrophobicContact CD1-CD2 3.45Å; L90-L170 VanDerWaalsContact CD1-CD2 3.45Å; L90-L170 HydrophobicContact CD1-CG 4.2Å; K99-L170 HydrophobicContact CB-CD2 3.89Å; K99-L170 HydrophobicContact CG-CD2 4.49Å; F101-L170 HydrophobicContact CE2-CD2 3.79Å; F101-L170 HydrophobicContact CE2-CG 4.43Å; F101-L170 HydrophobicContact CZ-CD2 4.04Å; Y162-L170 HydrophobicContact CD1-CD1 3.71Å; Y162-L170 HydrophobicContact CD2-CD1 3.8Å; Y162-L170 HydrophobicContact CE1-CD1 3.6Å; Y162-L170 HydrophobicContact CE2-CD1 3.7Å; Y162-L170 HydrophobicContact CG-CD1 3.78Å; Y166-L170 HydrophobicContact CD1-CD1 3.98Å; Y166-L170 HydrophobicContact CE1-CD1 3.68Å; Y166-L170 HydrophobicContact CE1-CG 4.5Å; Y166-L170 HydrophobicContact CE2-CD1 4.35Å; Y166-L170 HydrophobicContact CE2-CD2 4.15Å; Y166-L170 HydrophobicContact CE2-CG 4.32Å; Y166-L170 HydrophobicContact CG-CD1 4.41Å; Y166-L170 VanDerWaalsContact O-CG 3.3Å; Y166-L170 WeakPolarHBondContact O-CG 3.35Å; Y166-L170 PolarHBondContact O-N 3.16Å; Y166-L170 VanDerWaalsContact O-N 3.13Å; A167-L170 CarbonylContact O-C 3.57Å; A167-L170 WeakPolarHBondContact O-CA 3.26Å; A167-L170 WeakPolarHBondContact O-CB 3.3Å; A167-L170 PolarHBondContact O-N 3.41Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.28Å; L170-F172 HydrophobicContact CB-CD2 3.57Å; L170-F172 HydrophobicContact CB-CE2 3.95Å; L170-F172 HydrophobicContact CD1-CD2 4.14Å; L170-F172 HydrophobicContact CD1-CE2 4.44Å
171	G	74.3	Confident	70	Confident	66 Å²	66	42.9 Å²	42.9	68%	0.68	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.1	13.4	-173.3	0	0	0	0	0	114.6	A167 L168 R169	A167-G171 PolarHBondContact O-N 3.13Å; A167-G171 VanDerWaalsContact O-N 3.17Å; L168-G171 PolarHBondContact O-N 3.29Å; L168-G171 VanDerWaalsContact O-N 3.11Å; R169-G171 VanDerWaalsContact C-N 3.31Å
172	F	75.4	Confident	68	Low	30 Å²	30	44.1 Å²	44.1	13%	0.132	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-98.8	145.6	178.9	-64.4	-55.2	0	0	0	112.2	L90 P92 Y162 A167 L170	L90-F172 HydrophobicContact CB-CE2 4.1Å; L90-F172 HydrophobicContact CB-CZ 3.88Å; L90-F172 HydrophobicContact CD1-CE2 4.36Å; P92-F172 HydrophobicContact CB-CE1 3.73Å; P92-F172 HydrophobicContact CB-CZ 3.88Å; P92-F172 HydrophobicContact CG-CE1 4.06Å; P92-F172 HydrophobicContact CG-CZ 4.46Å; Y162-F172 AromaticContact CD2-CD2 3.9Å; Y162-F172 HydrophobicContact CD2-CD2 3.9Å; Y162-F172 AromaticContact CE2-CD2 3.46Å; Y162-F172 HydrophobicContact CE2-CD2 3.46Å; Y162-F172 VanDerWaalsContact CE2-CD2 3.46Å; Y162-F172 AromaticContact CE2-CE2 3.71Å; Y162-F172 HydrophobicContact CE2-CE2 3.71Å; Y162-F172 HydrophobicContact CE2-CG 4.42Å; A167-F172 CarbonylContact C-O 3.54Å; A167-F172 HydrophobicContact CB-CB 4.34Å; A167-F172 PolarHBondContact O-N 2.95Å; L170-F172 HydrophobicContact CB-CD2 3.57Å; L170-F172 HydrophobicContact CB-CE2 3.95Å; L170-F172 HydrophobicContact CD1-CD2 4.14Å; L170-F172 HydrophobicContact CD1-CE2 4.44Å
173	P	66.3	Low	66.1	Low	55 Å²	55	48.6 Å²	48.6	36%	0.357	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-66	142.5	174.8	27.6	-34.6	0	0	0	111.5	N177 L178	P173-N177 HydrophobicContact CB-CB 4.49Å; P173-L178 HydrophobicContact CB-CG 4.33Å; P173-L178 HydrophobicContact CG-CD1 4.3Å; P173-L178 HydrophobicContact CG-CD2 3.93Å; P173-L178 HydrophobicContact CG-CG 3.95Å
174	P	63.7	Low	63.8	Low	12 Å²	12	50 Å²	50	8%	0.078	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-66.9	158.9	173.8	28.5	-34.8	0	0	0	111.9	S164 S176 N177 L178	S164-P174 WeakPolarHBondContact OG-CB 3.45Å; P174-S176 VanDerWaalsContact C-N 3.31Å; P174-S176 PolarHBondContact O-N 3.5Å; P174-N177 HydrophobicContact CG-CB 3.94Å; P174-N177 PolarHBondContact O-N 3.27Å; P174-N177 VanDerWaalsContact O-N 3.08Å; P174-L178 PolarHBondContact O-N 3.11Å; P174-L178 VanDerWaalsContact O-N 3.07Å
175	C	59	Low	62	Low	2 Å²	2	53.2 Å²	53.2	1%	0.014	30%	0.303	C	S	.	.	H	α-helix	trans	-58.7	-39	-175.3	-81.4	0	0	0	0	113.7	W9 E10 N177 L178 A179	W9-C175 HydrophobicContact CH2-CB 4.12Å; W9-C175 HydrophobicContact CZ3-CB 4.18Å; E10-C175 HydrophobicContact CG-CB 4.49Å; C175-N177 VanDerWaalsContact C-N 3.33Å; C175-N177 PolarHBondContact O-N 3.21Å; C175-L178 WeakPolarHBondContact O-CB 3.49Å; C175-L178 PolarHBondContact O-N 3.27Å; C175-L178 VanDerWaalsContact O-N 3.12Å; C175-A179 PolarHBondContact O-N 3.36Å; C175-A179 VanDerWaalsContact O-N 3.14Å
176	S	57.1	Low	60.3	Low	15 Å²	15	59.1 Å²	59.1	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-57.7	-44.8	175.1	38.4	0	0	0	0	111.7	E10 N11 P174 L178 A179 N180	E10-S176 WeakPolarHBondContact OE2-CA 3.5Å; N11-S176 PolarHBondContact OD1-OG 3.25Å; P174-S176 VanDerWaalsContact C-N 3.31Å; P174-S176 PolarHBondContact O-N 3.5Å; S176-L178 VanDerWaalsContact C-N 3.34Å; S176-L178 PolarHBondContact O-N 3.46Å; S176-A179 PolarHBondContact O-N 2.92Å; S176-N180 PolarHBondContact O-N 3.1Å; S176-N180 VanDerWaalsContact O-N 3.15Å
177	N	52.5	Low	58.3	Low	86 Å²	86	63.3 Å²	63.3	46%	0.46	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-30.4	176	-70.2	11.7	0	0	0	112.5	P173 P174 C175 A179 N180 L181	P173-N177 HydrophobicContact CB-CB 4.49Å; P174-N177 HydrophobicContact CG-CB 3.94Å; P174-N177 PolarHBondContact O-N 3.27Å; P174-N177 VanDerWaalsContact O-N 3.08Å; C175-N177 VanDerWaalsContact C-N 3.33Å; C175-N177 PolarHBondContact O-N 3.21Å; N177-A179 VanDerWaalsContact C-N 3.32Å; N177-A179 PolarHBondContact O-N 3.1Å; N177-N180 PolarHBondContact O-N 3.17Å; N177-L181 WeakPolarHBondContact O-CB 3.41Å; N177-L181 PolarHBondContact O-N 2.68Å
178	L	51.7	Low	56.6	Low	43 Å²	43	71.4 Å²	71.4	23%	0.225	37%	0.371	C	S	.	.	H	α-helix	trans	-68.4	-28.9	174.2	-79	163.7	0	0	0	113	P128 N129 P173 P174 C175 S176 G182	P128-L178 HydrophobicContact CB-CD1 4.37Å; N129-L178 HydrophobicContact CB-CB 3.96Å; N129-L178 HydrophobicContact CB-CD1 4.18Å; P173-L178 HydrophobicContact CB-CG 4.33Å; P173-L178 HydrophobicContact CG-CD1 4.3Å; P173-L178 HydrophobicContact CG-CD2 3.93Å; P173-L178 HydrophobicContact CG-CG 3.95Å; P174-L178 PolarHBondContact O-N 3.11Å; P174-L178 VanDerWaalsContact O-N 3.07Å; C175-L178 WeakPolarHBondContact O-CB 3.49Å; C175-L178 PolarHBondContact O-N 3.27Å; C175-L178 VanDerWaalsContact O-N 3.12Å; S176-L178 VanDerWaalsContact C-N 3.34Å; S176-L178 PolarHBondContact O-N 3.46Å; L178-G182 PolarHBondContact O-N 3.43Å
179	A	46.4	Very low	55	Low	37 Å²	37	71.9 Å²	71.9	31%	0.306	37%	0.374	S	S	.	.	H	α-helix	trans	-71.2	-51	171	0	0	0	0	0	110.9	N129 C175 S176 N177 L181 G182 Q183	N129-A179 PolarHBondContact ND2-N 3.11Å; C175-A179 PolarHBondContact O-N 3.36Å; C175-A179 VanDerWaalsContact O-N 3.14Å; S176-A179 PolarHBondContact O-N 2.92Å; N177-A179 VanDerWaalsContact C-N 3.32Å; N177-A179 PolarHBondContact O-N 3.1Å; A179-L181 PolarHBondContact O-N 2.91Å; A179-G182 WeakPolarHBondContact O-CA 3.49Å; A179-G182 PolarHBondContact O-N 2.76Å; A179-G182 VanDerWaalsContact O-N 3.12Å; A179-Q183 PolarHBondContact O-N 3.36Å; A179-Q183 VanDerWaalsContact O-N 3.1Å
180	N	45.8	Very low	53.3	Low	97 Å²	97	71.3 Å²	71.3	52%	0.519	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-40.5	-178.2	-64.7	-11.1	0	0	0	112.6	S176 N177 G182 Q183 S184	S176-N180 PolarHBondContact O-N 3.1Å; S176-N180 VanDerWaalsContact O-N 3.15Å; N177-N180 PolarHBondContact O-N 3.17Å; N180-G182 VanDerWaalsContact C-N 3.3Å; N180-G182 PolarHBondContact O-N 2.71Å; N180-Q183 PolarHBondContact O-N 3.1Å; N180-Q183 VanDerWaalsContact O-N 3.13Å; N180-S184 PolarHBondContact O-N 3.4Å
181	L	39.6	Very low	51.7	Low	93 Å²	93	76.4 Å²	76.4	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-39	174.1	-172.5	70.2	0	0	0	111	N177 A179 Q183 I185	N177-L181 WeakPolarHBondContact O-CB 3.41Å; N177-L181 PolarHBondContact O-N 2.68Å; A179-L181 PolarHBondContact O-N 2.91Å; L181-Q183 VanDerWaalsContact C-N 3.27Å; L181-Q183 PolarHBondContact O-N 3.28Å; L181-I185 HydrophobicContact CD1-CD1 4.17Å; L181-I185 HydrophobicContact CD1-CG1 4.49Å; L181-I185 HydrophobicContact CG-CD1 3.85Å; L181-I185 HydrophobicContact CG-CG1 4.49Å; L181-I185 VanDerWaalsContact O-CB 3.31Å; L181-I185 WeakPolarHBondContact O-CB 3.34Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.27Å; L181-I185 PolarHBondContact O-N 2.94Å
182	G	46.7	Very low	50.2	Low	34 Å²	34	76.4 Å²	76.4	35%	0.351	39%	0.394	S	S	.	.	H	α-helix	trans	-66.9	-23.4	174.4	0	0	0	0	0	114.5	L178 A179 N180 R186	L178-G182 PolarHBondContact O-N 3.43Å; A179-G182 WeakPolarHBondContact O-CA 3.49Å; A179-G182 PolarHBondContact O-N 2.76Å; A179-G182 VanDerWaalsContact O-N 3.12Å; N180-G182 VanDerWaalsContact C-N 3.3Å; N180-G182 PolarHBondContact O-N 2.71Å; G182-R186 WeakPolarHBondContact O-CD 3.49Å; G182-R186 VanDerWaalsContact O-CG 3.3Å; G182-R186 WeakPolarHBondContact O-CG 3.42Å
183	Q	47.8	Very low	48.4	Very low	105 Å²	105	79.8 Å²	79.8	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-83.4	-51.8	170.6	-76.6	-177	-116.3	0	0	111.6	A179 N180 L181 I185 R186 E187	A179-Q183 PolarHBondContact O-N 3.36Å; A179-Q183 VanDerWaalsContact O-N 3.1Å; N180-Q183 PolarHBondContact O-N 3.1Å; N180-Q183 VanDerWaalsContact O-N 3.13Å; L181-Q183 VanDerWaalsContact C-N 3.27Å; L181-Q183 PolarHBondContact O-N 3.28Å; Q183-I185 PolarHBondContact O-N 2.84Å; Q183-R186 WeakPolarHBondContact O-CA 3.45Å; Q183-R186 WeakPolarHBondContact O-CB 3.26Å; Q183-R186 PolarHBondContact O-N 2.81Å; Q183-E187 PolarHBondContact O-N 3.03Å
184	S	38.3	Very low	47	Very low	33 Å²	33	82.9 Å²	82.9	23%	0.231	44%	0.44	C	S	.	.	H	α-helix	trans	-61.4	-30.2	-179.5	-165.9	0	0	0	0	113	N180 E187 R188	N180-S184 PolarHBondContact O-N 3.4Å; S184-E187 WeakPolarHBondContact CA-OE2 3.32Å; S184-R188 WeakPolarHBondContact O-CB 3.47Å; S184-R188 WeakPolarHBondContact O-CD 3.17Å; S184-R188 WeakPolarHBondContact O-CG 3.47Å; S184-R188 PolarHBondContact O-N 2.94Å; S184-R188 VanDerWaalsContact O-N 3.08Å; S184-R188 PolarHBondContact O-NE 3.25Å; S184-R188 PolarHBondContact OG-NE 2.81Å; S184-R188 VanDerWaalsContact OG-NE 3.13Å; S184-R188 PolarHBondContact OG-NH2 2.98Å
185	I	41	Very low	45.6	Very low	83 Å²	83	89.5 Å²	89.5	43%	0.426	47%	0.473	S	S	.	.	H	α-helix	trans	-69.7	-37.5	170.8	-71.1	171.6	0	0	0	111.6	L181 Q183 L189	L181-I185 HydrophobicContact CD1-CD1 4.17Å; L181-I185 HydrophobicContact CD1-CG1 4.49Å; L181-I185 HydrophobicContact CG-CD1 3.85Å; L181-I185 HydrophobicContact CG-CG1 4.49Å; L181-I185 VanDerWaalsContact O-CB 3.31Å; L181-I185 WeakPolarHBondContact O-CB 3.34Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.27Å; L181-I185 PolarHBondContact O-N 2.94Å; Q183-I185 PolarHBondContact O-N 2.84Å; I185-L189 HydrophobicContact CG2-CD1 3.75Å; I185-L189 HydrophobicContact CG2-CG 4.37Å; I185-L189 VanDerWaalsContact O-CB 3.27Å; I185-L189 WeakPolarHBondContact O-CB 3.27Å; I185-L189 WeakPolarHBondContact O-CD1 3.39Å; I185-L189 WeakPolarHBondContact O-CG 3.31Å; I185-L189 PolarHBondContact O-N 3.34Å
186	R	46.2	Very low	44.3	Very low	175 Å²	175	95.5 Å²	95.5	66%	0.66	51%	0.51	S	S	*	.	H	α-helix	trans	-69	-44.6	176.2	-74.7	174	-174.5	-175.6	2.8	112.2	G182 Q183 L189 Q190	G182-R186 WeakPolarHBondContact O-CD 3.49Å; G182-R186 VanDerWaalsContact O-CG 3.3Å; G182-R186 WeakPolarHBondContact O-CG 3.42Å; Q183-R186 WeakPolarHBondContact O-CA 3.45Å; Q183-R186 WeakPolarHBondContact O-CB 3.26Å; Q183-R186 PolarHBondContact O-N 2.81Å; R186-L189 CarbonylContact O-C 3.57Å; R186-L189 PolarHBondContact O-N 3.19Å; R186-L189 VanDerWaalsContact O-N 3.17Å; R186-Q190 WeakPolarHBondContact O-CG 3.31Å; R186-Q190 PolarHBondContact O-N 3.07Å
187	E	46	Very low	42.9	Very low	92 Å²	92	102.9 Å²	102.9	43%	0.43	54%	0.542	S	S	.	.	H	α-helix	trans	-58.7	-51.3	177.5	-70.9	148.3	-168.7	0	0	109.6	Q183 S184 L189 Q190 D191	Q183-E187 PolarHBondContact O-N 3.03Å; S184-E187 WeakPolarHBondContact CA-OE2 3.32Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 2.59Å; E187-Q190 PolarHBondContact O-N 3.29Å; E187-D191 PolarHBondContact O-N 2.83Å
188	R	46.7	Very low	41.9	Very low	171 Å²	171	107.9 Å²	107.9	65%	0.645	56%	0.563	S	S	*	*	H	α-helix	trans	-58.9	-37.6	173.7	-69.6	174.1	-142.4	-143.4	2.1	113.7	S184 Q190 S192	S184-R188 WeakPolarHBondContact O-CB 3.47Å; S184-R188 WeakPolarHBondContact O-CD 3.17Å; S184-R188 WeakPolarHBondContact O-CG 3.47Å; S184-R188 PolarHBondContact O-N 2.94Å; S184-R188 VanDerWaalsContact O-N 3.08Å; S184-R188 PolarHBondContact O-NE 3.25Å; S184-R188 PolarHBondContact OG-NE 2.81Å; S184-R188 VanDerWaalsContact OG-NE 3.13Å; S184-R188 PolarHBondContact OG-NH2 2.98Å; R188-Q190 VanDerWaalsContact C-N 3.3Å; R188-S192 WeakPolarHBondContact O-CB 3.27Å; R188-S192 PolarHBondContact O-N 3.03Å; R188-S192 PolarHBondContact O-OG 3.48Å; R188-S192 VanDerWaalsContact O-OG 3.11Å
189	L	46.7	Very low	41.1	Very low	116 Å²	116	111.3 Å²	111.3	61%	0.607	59%	0.591	S	S	*	*	H	α-helix	trans	-73.2	-18.9	176.8	-76.6	170.7	0	0	0	113.7	I185 R186 E187	I185-L189 HydrophobicContact CG2-CD1 3.75Å; I185-L189 HydrophobicContact CG2-CG 4.37Å; I185-L189 VanDerWaalsContact O-CB 3.27Å; I185-L189 WeakPolarHBondContact O-CB 3.27Å; I185-L189 WeakPolarHBondContact O-CD1 3.39Å; I185-L189 WeakPolarHBondContact O-CG 3.31Å; I185-L189 PolarHBondContact O-N 3.34Å; R186-L189 CarbonylContact O-C 3.57Å; R186-L189 PolarHBondContact O-N 3.19Å; R186-L189 VanDerWaalsContact O-N 3.17Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 2.59Å
190	Q	48	Very low	40.2	Very low	134 Å²	134	116.3 Å²	116.3	63%	0.626	61%	0.608	S	S	*	*	H	α-helix	trans	-82.4	-46.4	171.3	-70.6	177.5	-81	0	0	110	R186 E187 R188 S192 S193	R186-Q190 WeakPolarHBondContact O-CG 3.31Å; R186-Q190 PolarHBondContact O-N 3.07Å; E187-Q190 PolarHBondContact O-N 3.29Å; R188-Q190 VanDerWaalsContact C-N 3.3Å; Q190-S192 PolarHBondContact O-N 3.18Å; Q190-S193 WeakPolarHBondContact O-CB 3.41Å; Q190-S193 PolarHBondContact O-N 3.45Å; Q190-S193 PolarHBondContact O-OG 3.26Å
191	D	46.3	Very low	39.4	Very low	125 Å²	125	117.7 Å²	117.7	67%	0.668	62%	0.622	S	S	*	*	H	α-helix	trans	-66.1	-34.9	177.6	-63.8	-26.2	0	0	0	112.7	E187 S193 T194	E187-D191 PolarHBondContact O-N 2.83Å; D191-S193 PolarHBondContact O-N 3.39Å; D191-S193 VanDerWaalsContact O-N 3.16Å; D191-T194 PolarHBondContact O-OG1 3.1Å
192	S	42.8	Very low	38.8	Very low	66 Å²	66	117 Å²	117	46%	0.462	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-74.3	3.2	178.2	76.3	0	0	0	0	114.5	R188 Q190 T194	R188-S192 WeakPolarHBondContact O-CB 3.27Å; R188-S192 PolarHBondContact O-N 3.03Å; R188-S192 PolarHBondContact O-OG 3.48Å; R188-S192 VanDerWaalsContact O-OG 3.11Å; Q190-S192 PolarHBondContact O-N 3.18Å; S192-T194 PolarHBondContact O-N 2.69Å; S192-T194 VanDerWaalsContact O-N 3.14Å
193	S	38	Very low	38	Very low	102 Å²	102	123.2 Å²	123.2	71%	0.713	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-72	2.9	176.5	63.7	0	0	0	0	114.3	Q190 D191	Q190-S193 WeakPolarHBondContact O-CB 3.41Å; Q190-S193 PolarHBondContact O-N 3.45Å; Q190-S193 PolarHBondContact O-OG 3.26Å; D191-S193 PolarHBondContact O-N 3.39Å; D191-S193 VanDerWaalsContact O-N 3.16Å
194	T	36.8	Very low	37.1	Very low	119 Å²	119	126.7 Å²	126.7	73%	0.73	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-122	12	-170.4	-6.5	0	0	0	0	115.2	D191 S192	D191-T194 PolarHBondContact O-OG1 3.1Å; S192-T194 PolarHBondContact O-N 2.69Å; S192-T194 VanDerWaalsContact O-N 3.14Å
195	I	34	Very low	36.7	Very low	151 Å²	151	132.2 Å²	132.2	77%	0.774	69%	0.693	S	S	*	*			trans	-125.9	129.8	-179.5	-58.3	-178.1	0	0	0	111.5
196	T	31.6	Very low	35.9	Very low	128 Å²	128	134.3 Å²	134.3	79%	0.785	71%	0.714	S	S	*	*			trans	-76.6	161.9	-175	-21.5	0	0	0	0	113.6	Q198	T196-Q198 PolarHBondContact O-N 2.86Å
197	E	28.7	Very low	35.1	Very low	170 Å²	170	133.7 Å²	133.7	79%	0.794	72%	0.723	S	S	*	*			trans	-47.1	123.2	-178	-53.5	169.2	129.8	0	0	115.7
198	Q	31.6	Very low	34.2	Very low	191 Å²	191	133.8 Å²	133.8	89%	0.893	73%	0.734	S	S	*	*			trans	-172	140.7	135	-104.4	146.9	89.1	0	0	114.1	T196	T196-Q198 PolarHBondContact O-N 2.86Å
199	S	34.2	Very low	33.4	Very low	116 Å²	116	132 Å²	132	81%	0.811	74%	0.742	S	S	*	*			trans	60.7	108.6	170.8	56.4	0	0	0	0	119.9
200	E	27.7	Very low	32.3	Very low	142 Å²	142	130.8 Å²	130.8	66%	0.664	74%	0.741	S	S	*	*			trans	-81.3	146.6	155.8	-72	-166.8	150.3	0	0	110.9	K205	E200-K205 VanDerWaalsContact CD-NZ 3.33Å; E200-K205 WeakPolarHBondContact OE1-CE 3.18Å; E200-K205 IonicContact OE1-NZ 3.16Å; E200-K205 PolarHBondContact OE1-NZ 3.01Å; E200-K205 IonicContact OE2-NZ 2.69Å; E200-K205 PolarHBondContact OE2-NZ 2.91Å; E200-K205 VanDerWaalsContact OE2-NZ 3.15Å
201	P	29.7	Very low	31.2	Very low	126 Å²	126	127.5 Å²	127.5	82%	0.818	74%	0.744	S	S	*	*			trans	-105.4	125.6	135.9	32.7	-28	0	0	0	109.5	D203	P201-D203 PolarHBondContact O-N 2.99Å
202	A	27.1	Very low	30.3	Very low	79 Å²	79	133.7 Å²	133.7	65%	0.653	76%	0.758	S	S	*	*			trans	-86.9	102.8	-172.1	0	0	0	0	0	112.7
203	D	29.5	Very low	29.4	Very low	163 Å²	163	142.1 Å²	142.1	87%	0.872	78%	0.779	S	S	*	*			trans	-161.1	39.5	156.6	-118.3	-17.2	0	0	0	115.5	P201	P201-D203 PolarHBondContact O-N 2.99Å
204	M	28.5	Very low	29	Very low	179 Å²	179	144.3 Å²	144.3	88%	0.882	79%	0.789	S	S	*	*			trans	-153.6	61	171.2	-146.3	170.4	-73.6	0	0	114.9
205	K	30.1	Very low	28.5	Very low	149 Å²	149	144 Å²	144	65%	0.648	79%	0.791	S	S	*	*			trans	-96.3	108.2	173.9	-88.2	166	179.9	148.7	0	112.1	E200 L207	E200-K205 VanDerWaalsContact CD-NZ 3.33Å; E200-K205 WeakPolarHBondContact OE1-CE 3.18Å; E200-K205 IonicContact OE1-NZ 3.16Å; E200-K205 PolarHBondContact OE1-NZ 3.01Å; E200-K205 IonicContact OE2-NZ 2.69Å; E200-K205 PolarHBondContact OE2-NZ 2.91Å; E200-K205 VanDerWaalsContact OE2-NZ 3.15Å; K205-L207 PolarHBondContact O-N 3.42Å
206	C	24.2	Very low	28.4	Very low	126 Å²	126	142.3 Å²	142.3	85%	0.851	79%	0.793	S	S	*	*			trans	-55.4	117.4	169	-70.1	0	0	0	0	110.8
207	L	29	Very low	28.1	Very low	162 Å²	162	142.9 Å²	142.9	85%	0.848	79%	0.791	S	S	*	*			trans	-121.2	87.5	173.2	-75.4	175.5	0	0	0	111.7	K205	K205-L207 PolarHBondContact O-N 3.42Å
208	S	26.6	Very low	28.3	Very low	95 Å²	95	142.8 Å²	142.8	66%	0.664	79%	0.794	S	S	*	*			trans	-59.9	171.5	137.6	53.1	0	0	0	0	110.3
209	V	30.2	Very low	28.3	Very low	134 Å²	134	139.9 Å²	139.9	81%	0.812	79%	0.785	S	S	*	*	S	Bend	trans	80.2	92.5	176.5	-167	0	0	0	0	116.1
210	C	24.1	Very low	28	Very low	89 Å²	89	142.1 Å²	142.1	60%	0.601	79%	0.788	S	S	*	*				39.7	89.5	124.2	-146.5	0	0	0	0	119.4	N55	N55-C210 PolarHBondContact ND2-SG 3.13Å; N55-C210 VanDerWaalsContact ND2-SG 3.37Å
211	G	25.4	Very low	28.1	Very low	65 Å²	65	138.9 Å²	138.9	67%	0.67	79%	0.793	S	S	*	*				87.8	134.1	128.6	0	0	0	0	0	119.7
212	R	27.3	Very low	28.1	Very low	255 Å²	255	143.7 Å²	143.7	96%	0.962	80%	0.796	S	S	*	*				-157	160.9	129.1	-106.5	161.2	-147.7	-124	3.3	110.5
213	R	23.1	Very low	27.9	Very low	243 Å²	243	146 Å²	146	92%	0.917	81%	0.806	S	S	*	*			trans	-82.8	141.3	-178.3	-55.2	171.6	-175.2	168.9	-0.5	110
214	T	29.2	Very low	27.8	Very low	149 Å²	149	143 Å²	143	91%	0.914	80%	0.798	S	S	*	*			trans	-126.1	134.4	146.7	45.5	0	0	0	0	107.9
215	S	25.9	Very low	27.9	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	80%	0.797	S	S	*	*			trans	-110.8	130.9	-172.5	51.4	0	0	0	0	111.2
216	S	32.2	Very low	27.8	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	80%	0.804	S	S	*	*			trans	-146.1	115	159.7	55.6	0	0	0	0	108.3
217	N	26.4	Very low	28.1	Very low	140 Å²	140	144.2 Å²	144.2	75%	0.749	81%	0.806	S	S	*	*			trans	-70.6	144.2	-179.7	-52.9	-18.6	0	0	0	110.5
218	I	33.1	Very low	27.9	Very low	168 Å²	168	141.6 Å²	141.6	86%	0.862	80%	0.801	S	S	*	*			trans	-147.1	139	141.7	-88.8	128	0	0	0	106.1
219	D	31.4	Very low	28.1	Very low	130 Å²	130	143.6 Å²	143.6	70%	0.695	81%	0.809	S	S	*	*			trans	-81.7	149.1	-148.9	-45.9	-58.1	0	0	0	115.9
220	D	27.1	Very low	28.1	Very low	164 Å²	164	143.1 Å²	143.1	88%	0.877	81%	0.807	S	S	*	*			trans	38.8	127.4	139	-61.4	-17.8	0	0	0	122.5
221	G	29.5	Very low	28.3	Very low	74 Å²	74	144.6 Å²	144.6	76%	0.763	82%	0.815	S	S	*	*			trans	-156.9	29.7	-178.6	0	0	0	0	0	117.2
222	Y	29.5	Very low	28.5	Very low	226 Å²	226	147.6 Å²	147.6	89%	0.886	82%	0.823	S	S	*	*			trans	52.8	101.6	168.9	-84.1	-91.5	0	0	0	119.6
223	C	24	Very low	28.7	Very low	128 Å²	128	141 Å²	141	87%	0.865	82%	0.816	S	S	*	*			trans	-91.7	124.1	146.2	-81.2	0	0	0	0	110.1
224	S	28	Very low	28.9	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	81%	0.813	S	S	*	*			trans	-177.9	131	150.4	-84.9	0	0	0	0	111.5
225	N	30.6	Very low	28.9	Very low	161 Å²	161	143.2 Å²	143.2	86%	0.861	81%	0.809	S	S	*	*			trans	-170.9	71.4	150.8	-104.3	-31.1	0	0	0	109.3
226	D	26.4	Very low	29.1	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	81%	0.808	S	S	*	*			trans	-68.2	133.8	161.1	-74.9	-65.3	0	0	0	110
227	L	31.3	Very low	28.7	Very low	171 Å²	171	148.2 Å²	148.2	90%	0.895	81%	0.812	S	S	*	*			trans	-120.9	98.2	154.7	-116.1	85.7	0	0	0	108.6
228	S	25.2	Very low	28.9	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	81%	0.811	S	S	*	*			trans	-89.1	124.5	-174	58.1	0	0	0	0	113.3
229	T	30.1	Very low	28.6	Very low	136 Å²	136	143.3 Å²	143.3	83%	0.834	80%	0.804	S	S	*	*			trans	-168.6	124.8	159.1	24.7	0	0	0	0	107.3
230	T	30	Very low	28.7	Very low	125 Å²	125	144.9 Å²	144.9	77%	0.767	81%	0.812	S	S	*	*			cis	-146.2	158.7	-0.6	44.6	0	0	0	0	110.4
231	P	28.1	Very low	28.7	Very low	119 Å²	119	142.9 Å²	142.9	77%	0.773	81%	0.806	S	S	*	*			trans	-102.8	-159.3	-172.1	48.1	-40.9	0	0	0	111.6
232	P	31.1	Very low	28.9	Very low	128 Å²	128	146.2 Å²	146.2	83%	0.831	81%	0.806	S	S	*	*				-122	169.5	-125	23.8	1.8	0	0	0	116.1
233	S	31.3	Very low	29	Very low	118 Å²	118	140 Å²	140	83%	0.825	80%	0.796	S	S	*	*			trans	-133.8	112.7	173.8	61.4	0	0	0	0	114.1
234	R	26.7	Very low	29.4	Very low	225 Å²	225	141.2 Å²	141.2	85%	0.849	79%	0.794	S	S	*	*			trans	-66.7	135.2	171.4	158.7	-154.5	-78.6	169.7	-9.1	112.5
235	Y	29.5	Very low	29.3	Very low	212 Å²	212	141.6 Å²	141.6	83%	0.831	80%	0.796	S	S	*	*			trans	-172.1	152.7	145.4	-90.5	-80.2	0	0	0	106.9
236	Q	29.2	Very low	29.4	Very low	161 Å²	161	139.4 Å²	139.4	75%	0.752	79%	0.792	S	S	*	*			cis	-159.3	-173.4	-41.9	-132.1	-179.5	-17.9	0	0	107.2
237	L	23.3	Very low	29.4	Very low	171 Å²	171	138.3 Å²	138.3	90%	0.895	79%	0.791	S	S	*	*			trans	-98.8	138.6	-172.8	-66	84.3	0	0	0	114.6
238	S	31.2	Very low	29.4	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	79%	0.787	S	S	*	*			trans	-166.5	105.3	143.9	53	0	0	0	0	106.7
239	S	27.6	Very low	29.6	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	79%	0.785	S	S	*	*				54.9	110.5	85	70.9	0	0	0	0	113.4
240	D	32.6	Very low	29.4	Very low	162 Å²	162	142.6 Å²	142.6	87%	0.866	79%	0.786	S	S	*	*				-158.6	158.3	119	-86.9	-24	0	0	0	108.7
241	T	28	Very low	29.4	Very low	123 Å²	123	140.3 Å²	140.3	76%	0.755	79%	0.788	S	S	*	*			trans	-88.5	164.8	-179.5	52.5	0	0	0	0	109.9
242	D	32.6	Very low	29.3	Very low	143 Å²	143	141.2 Å²	141.2	77%	0.765	79%	0.791	S	S	*	*				-158.3	162.2	72.2	-84.8	-18.7	0	0	0	114.5
243	S	31.9	Very low	29.2	Very low	95 Å²	95	146.4 Å²	146.4	66%	0.664	79%	0.794	S	S	*	*			trans	-15.5	162.8	166	11.8	0	0	0	0	121.5
244	D	33.3	Very low	29.3	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	79%	0.792	S	S	*	*			cis	-145.7	167.6	12.9	-128.1	-38.3	0	0	0	115
245	C	25	Very low	29.6	Very low	110 Å²	110	140.7 Å²	140.7	74%	0.743	79%	0.792	S	S	*	*			trans	-126	142.6	-170.8	-67.7	0	0	0	0	114.9
246	S	32.9	Very low	29.5	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	79%	0.788	S	S	*	*			trans	169.5	132.7	147.6	32.2	0	0	0	0	108.5
247	V	27.6	Very low	29.5	Very low	125 Å²	125	137.5 Å²	137.5	76%	0.758	79%	0.793	S	S	*	*			cis	74.8	130.6	13.5	-163	0	0	0	0	114.5
248	N	30.7	Very low	29.9	Very low	150 Å²	150	133.4 Å²	133.4	80%	0.802	78%	0.784	S	S	*	*			trans	96.9	142.2	-175	-60.1	-8	0	0	0	115.1
249	D	28.3	Very low	30.2	Very low	133 Å²	133	137 Å²	137	71%	0.711	79%	0.786	S	S	*	*			cis	-158.8	-172.5	-25.7	-161.3	22	0	0	0	110.6
250	Y	27	Very low	30.5	Very low	220 Å²	220	137.8 Å²	137.8	86%	0.863	78%	0.782	S	S	*	*			trans	-51.7	143.8	177.7	-60.8	-88.3	0	0	0	115.4
251	G	29.2	Very low	30.7	Very low	77 Å²	77	138.3 Å²	138.3	79%	0.794	78%	0.779	S	S	*	*			trans	-164	108.9	170.1	0	0	0	0	0	113.5
252	V	26.2	Very low	31.1	Very low	138 Å²	138	137.6 Å²	137.6	84%	0.836	78%	0.775	S	S	*	*			trans	-106.1	127.1	177.2	177.3	0	0	0	0	110
253	R	29.3	Very low	31.2	Very low	237 Å²	237	136.3 Å²	136.3	89%	0.894	77%	0.773	S	S	*	*			trans	175.4	147.2	133.9	-102.6	169.9	172.9	-158	-5.8	113.8
254	P	34.1	Very low	31.4	Very low	121 Å²	121	139.2 Å²	139.2	79%	0.786	78%	0.781	S	S	*	*			trans	-81.2	163.2	153.3	36.7	-33.4	0	0	0	110.6
255	A	33.2	Very low	31.6	Very low	103 Å²	103	135.2 Å²	135.2	85%	0.851	78%	0.776	S	S	*	*			trans	-143.2	140.6	170.4	0	0	0	0	0	111.2
256	T	27	Very low	32.2	Very low	124 Å²	124	138.3 Å²	138.3	76%	0.761	78%	0.779	S	S	*	*			trans	-115.5	159.1	172.2	44.3	0	0	0	0	109.9
257	E	29.2	Very low	32.4	Very low	182 Å²	182	138 Å²	138	85%	0.85	77%	0.772	S	S	*	*			trans	74.7	138.2	155.1	-74.3	169.7	-167.1	0	0	121.8
258	A	31.7	Very low	32.8	Very low	84 Å²	84	139.5 Å²	139.5	69%	0.694	77%	0.771	S	S	*	*			trans	89.5	113.3	140.1	0	0	0	0	0	121.5
259	K	35.8	Very low	32.9	Very low	181 Å²	181	137.5 Å²	137.5	79%	0.787	76%	0.764	S	S	*	*			trans	77.5	147.6	138	-64.7	-177.3	163.2	-143.3	0	118.8
260	D	35.3	Very low	33.2	Very low	117 Å²	117	137.1 Å²	137.1	63%	0.626	77%	0.767	S	S	*	*			cis	-156.8	162.9	-9.1	-108.9	-27	0	0	0	109.7
261	E	37.4	Very low	33.4	Very low	173 Å²	173	132.8 Å²	132.8	81%	0.808	76%	0.764	S	S	*	*			trans	65.8	152.3	160.7	-68.2	178.5	169	0	0	119.4
262	T	35.1	Very low	33.7	Very low	109 Å²	109	133.9 Å²	133.9	67%	0.669	77%	0.765	S	S	*	*			cis	-154.2	158.1	-1.1	1.6	0	0	0	0	112.5
263	T	36	Very low	33.9	Very low	116 Å²	116	134.6 Å²	134.6	71%	0.712	77%	0.765	S	S	*	*			trans	61.2	142.8	156.6	53	0	0	0	0	120.2
264	D	36	Very low	34.3	Very low	156 Å²	156	128.2 Å²	128.2	83%	0.834	75%	0.754	S	S	*	*			cis	-157.4	149.1	2.2	-119.5	-23.1	0	0	0	114.6
265	G	37.1	Very low	34.3	Very low	70 Å²	70	129 Å²	129	72%	0.722	76%	0.757	S	S	*	*			trans	74.7	145.6	153.4	0	0	0	0	0	120.8
266	H	37.1	Very low	34.3	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.806	75%	0.752	S	S	*	*			cis	-167.1	132.9	-6.9	-164.3	68.4	0	0	0	110.4
267	V	36.8	Very low	34.7	Very low	108 Å²	108	128.1 Å²	128.1	66%	0.655	75%	0.752	S	S	*	*			trans	49.5	134.9	144.3	171.9	0	0	0	0	119.8
268	E	36.5	Very low	34.8	Very low	156 Å²	156	125 Å²	125	73%	0.729	75%	0.75	S	S	*	*			cis	-175.6	169.6	-7.5	-110.6	-159.9	-115.5	0	0	108.1
269	T	33	Very low	34.9	Very low	108 Å²	108	129.2 Å²	129.2	66%	0.663	76%	0.76	S	S	*	*			cis	-132.3	-129.4	-14.2	-11.7	0	0	0	0	108.6
270	T	34.4	Very low	34.5	Very low	125 Å²	125	130.3 Å²	130.3	77%	0.767	77%	0.768	S	S	*	*			cis	-154.6	169.6	-1.9	-23.9	0	0	0	0	111.4
271	T	31.6	Very low	34.5	Very low	129 Å²	129	127.9 Å²	127.9	79%	0.791	77%	0.771	S	S	*	*			trans	-72.8	152.7	178.5	53.7	0	0	0	0	114.4
272	A	34.8	Very low	34.3	Very low	101 Å²	101	129.9 Å²	129.9	84%	0.835	77%	0.771	S	S	*	*			cis	-168.6	168.7	49.6	0	0	0	0	0	113.4
273	N	31.8	Very low	34.1	Very low	153 Å²	153	128.2 Å²	128.2	82%	0.818	77%	0.768	S	S	*	*			trans	-145.5	156.8	179.3	-152.4	-5.8	0	0	0	108.2
274	P	35.8	Very low	34	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	77%	0.768	S	S	*	*				-160.6	175.4	94.9	40.8	-20.4	0	0	0	119
275	T	34.7	Very low	33.9	Very low	139 Å²	139	128.5 Å²	128.5	85%	0.853	76%	0.756	S	S	*	*			trans	73.9	139.2	151.9	36.3	0	0	0	0	121.4
276	A	34	Very low	33.8	Very low	92 Å²	92	130.7 Å²	130.7	76%	0.76	75%	0.752	S	S	*	*			trans	-113.3	-175.9	177.1	0	0	0	0	0	111.2
277	P	34	Very low	33.7	Very low	115 Å²	115	125.3 Å²	125.3	75%	0.747	73%	0.734	S	S	*	*				-145	165.1	121.7	39.6	-27	0	0	0	116.9
278	S	33	Very low	33.8	Very low	117 Å²	117	122.9 Å²	122.9	82%	0.818	73%	0.725	S	S	*	*			trans	62.4	128.6	149.6	50.4	0	0	0	0	121.5
279	L	33	Very low	33.9	Very low	172 Å²	172	120.1 Å²	120.1	90%	0.901	72%	0.715	S	S	*	*			trans	-99.4	125	165.5	-74	159.5	0	0	0	109.6
280	E	28.4	Very low	34.1	Very low	205 Å²	205	120.1 Å²	120.1	96%	0.958	71%	0.711	S	S	*	*			trans	-160.2	153.1	161.6	-112.9	158.8	-144.9	0	0	108.9
281	G	33.4	Very low	34.4	Very low	66 Å²	66	120.8 Å²	120.8	68%	0.68	71%	0.705	S	S	*	*	S	Bend	trans	96.2	15.6	171.4	0	0	0	0	0	119.1
282	R	33.4	Very low	34.8	Very low	214 Å²	214	117.1 Å²	117.1	81%	0.808	69%	0.685	S	S	*	*	S	Bend	trans	-118.3	18.4	175.4	-148.8	177.2	-179	155.5	3.1	115.8
283	A	31.9	Very low	35	Very low	75 Å²	75	117 Å²	117	62%	0.62	67%	0.669	S	S	*	*	S	Bend	trans	-96.1	-36.8	174.7	0	0	0	0	0	112.7	N286	A283-N286 PolarHBondContact O-N 3.18Å
284	E	33.1	Very low	35.5	Very low	150 Å²	150	114.7 Å²	114.7	70%	0.701	66%	0.656	S	S	*	*	H	α-helix	trans	-77.1	-29.2	-166.8	-59.3	-179.9	148.6	0	0	113.8	N286 S287 A288	E284-N286 PolarHBondContact O-N 2.8Å; E284-S287 PolarHBondContact O-N 3.32Å; E284-S287 PolarHBondContact O-OG 3.49Å; E284-A288 WeakPolarHBondContact O-CB 3.29Å; E284-A288 PolarHBondContact O-N 3.27Å
285	E	35.1	Very low	35.7	Very low	127 Å²	127	114.2 Å²	114.2	59%	0.593	65%	0.645	S	S	*	*	H	α-helix	trans	-62.5	-31.1	174	-68.4	-170.3	123.9	0	0	112.2	N289	E285-N289 WeakPolarHBondContact O-CB 3.43Å; E285-N289 PolarHBondContact O-N 3.3Å; E285-N289 PolarHBondContact O-ND2 3Å
286	N	34.7	Very low	35.9	Very low	116 Å²	116	113.2 Å²	113.2	62%	0.62	63%	0.631	S	S	*	*	H	α-helix	trans	-80.6	-36	-178.8	-73.7	-25.8	0	0	0	112.3	A283 E284 L290	A283-N286 PolarHBondContact O-N 3.18Å; E284-N286 PolarHBondContact O-N 2.8Å; N286-L290 WeakPolarHBondContact O-CB 3.46Å; N286-L290 PolarHBondContact O-N 3.48Å; N286-L290 VanDerWaalsContact O-N 3.14Å
287	S	34.9	Very low	36.2	Very low	61 Å²	61	113.8 Å²	113.8	43%	0.427	62%	0.621	S	S	.	*	H	α-helix	trans	-67.9	-44.7	172.7	52	0	0	0	0	111.4	E284 N289 L290 E291	E284-S287 PolarHBondContact O-N 3.32Å; E284-S287 PolarHBondContact O-OG 3.49Å; S287-N289 VanDerWaalsContact C-N 3.34Å; S287-N289 PolarHBondContact O-N 3.36Å; S287-L290 PolarHBondContact O-N 3.37Å; S287-L290 VanDerWaalsContact O-N 3.11Å; S287-E291 PolarHBondContact O-N 2.93Å
288	A	37.7	Very low	36.4	Very low	58 Å²	58	110.1 Å²	110.1	48%	0.479	60%	0.598	S	S	.	*	H	α-helix	trans	-61.6	-39.4	178.8	0	0	0	0	0	112.8	E284 S292	E284-A288 WeakPolarHBondContact O-CB 3.29Å; E284-A288 PolarHBondContact O-N 3.27Å; A288-S292 WeakPolarHBondContact O-CB 3.4Å; A288-S292 PolarHBondContact O-N 3.4Å
289	N	39.6	Very low	36.7	Very low	98 Å²	98	111.2 Å²	111.2	52%	0.524	58%	0.584	S	S	.	*	H	α-helix	trans	-64.2	-43.5	172.9	-85.4	-70.1	0	0	0	111.8	E285 S287 S292 L293	E285-N289 WeakPolarHBondContact O-CB 3.43Å; E285-N289 PolarHBondContact O-N 3.3Å; E285-N289 PolarHBondContact O-ND2 3Å; S287-N289 VanDerWaalsContact C-N 3.34Å; S287-N289 PolarHBondContact O-N 3.36Å; N289-S292 PolarHBondContact O-N 3.19Å; N289-S292 PolarHBondContact O-OG 2.82Å; N289-L293 PolarHBondContact O-N 3.25Å
290	L	37	Very low	36.9	Very low	108 Å²	108	107.8 Å²	107.8	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-66.6	-42.2	-179.7	-166.5	69.5	0	0	0	112.3	N286 S287 S292 L293 I294	N286-L290 WeakPolarHBondContact O-CB 3.46Å; N286-L290 PolarHBondContact O-N 3.48Å; N286-L290 VanDerWaalsContact O-N 3.14Å; S287-L290 PolarHBondContact O-N 3.37Å; S287-L290 VanDerWaalsContact O-N 3.11Å; L290-S292 VanDerWaalsContact C-N 3.34Å; L290-S292 PolarHBondContact O-N 3.32Å; L290-L293 PolarHBondContact O-N 2.98Å; L290-I294 HydrophobicContact CG-CD1 4.18Å; L290-I294 WeakPolarHBondContact O-CG1 3.36Å; L290-I294 PolarHBondContact O-N 3.29Å
291	E	40.1	Very low	37.3	Very low	139 Å²	139	103 Å²	103	65%	0.65	55%	0.545	S	S	*	.	H	α-helix	trans	-62.2	-40.5	172.8	-71.9	-174.5	146.2	0	0	111.4	S287 L293 I294 E295	S287-E291 PolarHBondContact O-N 2.93Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 3.31Å; E291-I294 PolarHBondContact O-N 3.13Å; E291-E295 PolarHBondContact O-N 3.14Å
292	S	40.3	Very low	37.4	Very low	51 Å²	51	108 Å²	108	36%	0.357	54%	0.544	S	S	.	.	H	α-helix	trans	-63.9	-33.3	176.2	83.6	0	0	0	0	113.3	A288 N289 L290 Q296	A288-S292 WeakPolarHBondContact O-CB 3.4Å; A288-S292 PolarHBondContact O-N 3.4Å; N289-S292 PolarHBondContact O-N 3.19Å; N289-S292 PolarHBondContact O-OG 2.82Å; L290-S292 VanDerWaalsContact C-N 3.34Å; L290-S292 PolarHBondContact O-N 3.32Å; S292-Q296 WeakPolarHBondContact O-CG 3.2Å; S292-Q296 PolarHBondContact O-N 3.03Å
293	L	38.8	Very low	37.3	Very low	99 Å²	99	104.6 Å²	104.6	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-71.3	-44.8	174.8	-83.2	159	0	0	0	111.4	N289 L290 E291 E295 Q296 D297	N289-L293 PolarHBondContact O-N 3.25Å; L290-L293 PolarHBondContact O-N 2.98Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 3.31Å; L293-E295 VanDerWaalsContact C-N 3.26Å; L293-E295 PolarHBondContact O-N 3.22Å; L293-Q296 PolarHBondContact O-N 3.39Å; L293-Q296 VanDerWaalsContact O-N 3.14Å; L293-D297 PolarHBondContact O-N 2.99Å
294	I	41.9	Very low	37.4	Very low	104 Å²	104	106.8 Å²	106.8	53%	0.533	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-35.5	174.7	-67.3	164.8	0	0	0	110.8	L290 E291 S298	L290-I294 HydrophobicContact CG-CD1 4.18Å; L290-I294 WeakPolarHBondContact O-CG1 3.36Å; L290-I294 PolarHBondContact O-N 3.29Å; E291-I294 PolarHBondContact O-N 3.13Å; I294-S298 WeakPolarHBondContact O-CB 3.26Å; I294-S298 PolarHBondContact O-N 3.19Å; I294-S298 PolarHBondContact O-OG 3.36Å
295	E	40	Very low	37.5	Very low	92 Å²	92	103.5 Å²	103.5	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-73.6	-30.7	174.7	-134.4	-158	125.9	0	0	113	E291 L293 S298 R299	E291-E295 PolarHBondContact O-N 3.14Å; L293-E295 VanDerWaalsContact C-N 3.26Å; L293-E295 PolarHBondContact O-N 3.22Å; E295-S298 WeakPolarHBondContact CA-OG 3.27Å; E295-S298 PolarHBondContact O-OG 3.21Å; E295-R299 VanDerWaalsContact CD-NH2 3.3Å; E295-R299 VanDerWaalsContact O-CB 3.26Å; E295-R299 WeakPolarHBondContact O-CB 3.06Å; E295-R299 VanDerWaalsContact O-CD 3.27Å; E295-R299 WeakPolarHBondContact O-CD 3.49Å; E295-R299 WeakPolarHBondContact O-CG 3.4Å; E295-R299 PolarHBondContact O-N 2.87Å; E295-R299 IonicContact OE1-CZ 2.76Å; E295-R299 IonicContact OE1-NE 3.16Å; E295-R299 PolarHBondContact OE1-NE 3.49Å; E295-R299 IonicContact OE1-NH2 2.71Å; E295-R299 PolarHBondContact OE1-NH2 2.85Å; E295-R299 IonicContact OE2-NH2 3.57Å; E295-R299 PolarHBondContact OE2-NH2 3.46Å
296	Q	39.4	Very low	37.3	Very low	118 Å²	118	99.6 Å²	99.6	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-66.4	-48.4	170.8	-76.5	-179.3	31.2	0	0	112	S292 L293 S298 R299 I300	S292-Q296 WeakPolarHBondContact O-CG 3.2Å; S292-Q296 PolarHBondContact O-N 3.03Å; L293-Q296 PolarHBondContact O-N 3.39Å; L293-Q296 VanDerWaalsContact O-N 3.14Å; Q296-S298 PolarHBondContact O-N 2.89Å; Q296-R299 PolarHBondContact O-N 3.26Å; Q296-I300 WeakPolarHBondContact O-CG1 3.18Å; Q296-I300 PolarHBondContact O-N 3.06Å
297	D	39.9	Very low	37.4	Very low	105 Å²	105	99.4 Å²	99.4	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-61.6	-44.3	177.5	-91.6	-13.6	0	0	0	111.9	L293 R299 I300 I301	L293-D297 PolarHBondContact O-N 2.99Å; D297-R299 VanDerWaalsContact C-N 3.33Å; D297-R299 PolarHBondContact O-N 3.39Å; D297-I300 PolarHBondContact O-N 3.15Å; D297-I301 WeakPolarHBondContact O-CG1 3.36Å; D297-I301 PolarHBondContact O-N 2.92Å
298	S	39.5	Very low	37.2	Very low	38 Å²	38	101 Å²	101	27%	0.266	52%	0.519	S	S	.	.	H	α-helix	trans	-69.4	-28.2	177.4	61.5	0	0	0	0	113.3	I294 E295 Q296 R302	I294-S298 WeakPolarHBondContact O-CB 3.26Å; I294-S298 PolarHBondContact O-N 3.19Å; I294-S298 PolarHBondContact O-OG 3.36Å; E295-S298 WeakPolarHBondContact CA-OG 3.27Å; E295-S298 PolarHBondContact O-OG 3.21Å; Q296-S298 PolarHBondContact O-N 2.89Å; S298-R302 VanDerWaalsContact O-CB 3.26Å; S298-R302 WeakPolarHBondContact O-CB 3.41Å; S298-R302 VanDerWaalsContact O-CG 3.23Å; S298-R302 WeakPolarHBondContact O-CG 3.23Å; S298-R302 PolarHBondContact O-N 2.69Å
299	R	38.7	Very low	37.1	Very low	140 Å²	140	105.7 Å²	105.7	53%	0.528	53%	0.531	S	S	.	.	H	α-helix	trans	-67	-40.6	168.3	-75.6	165.8	-173.2	-161	8.3	111.7	E295 Q296 D297 R302 F303	E295-R299 VanDerWaalsContact CD-NH2 3.3Å; E295-R299 VanDerWaalsContact O-CB 3.26Å; E295-R299 WeakPolarHBondContact O-CB 3.06Å; E295-R299 VanDerWaalsContact O-CD 3.27Å; E295-R299 WeakPolarHBondContact O-CD 3.49Å; E295-R299 WeakPolarHBondContact O-CG 3.4Å; E295-R299 PolarHBondContact O-N 2.87Å; E295-R299 IonicContact OE1-CZ 2.76Å; E295-R299 IonicContact OE1-NE 3.16Å; E295-R299 PolarHBondContact OE1-NE 3.49Å; E295-R299 IonicContact OE1-NH2 2.71Å; E295-R299 PolarHBondContact OE1-NH2 2.85Å; E295-R299 IonicContact OE2-NH2 3.57Å; E295-R299 PolarHBondContact OE2-NH2 3.46Å; Q296-R299 PolarHBondContact O-N 3.26Å; D297-R299 VanDerWaalsContact C-N 3.33Å; D297-R299 PolarHBondContact O-N 3.39Å; R299-R302 PolarHBondContact O-N 2.67Å; R299-F303 PolarHBondContact O-N 3.13Å
300	I	36.6	Very low	36.5	Very low	99 Å²	99	109.1 Å²	109.1	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-63.6	-46.4	175.8	-67.8	165.1	0	0	0	110.9	Q296 D297 R302 F303 M304	Q296-I300 WeakPolarHBondContact O-CG1 3.18Å; Q296-I300 PolarHBondContact O-N 3.06Å; D297-I300 PolarHBondContact O-N 3.15Å; I300-R302 VanDerWaalsContact C-N 3.34Å; I300-R302 PolarHBondContact O-N 2.75Å; I300-F303 PolarHBondContact O-N 3.38Å; I300-M304 PolarHBondContact O-N 3.21Å
301	I	37.8	Very low	36.4	Very low	104 Å²	104	111.2 Å²	111.2	53%	0.533	54%	0.542	S	S	.	.	H	α-helix	trans	-64.1	-38.9	177.4	-65.9	167.6	0	0	0	111.3	D297 M304 T305	D297-I301 WeakPolarHBondContact O-CG1 3.36Å; D297-I301 PolarHBondContact O-N 2.92Å; I301-M304 PolarHBondContact O-N 3.21Å; I301-T305 PolarHBondContact O-N 3.11Å; I301-T305 VanDerWaalsContact O-N 3.09Å; I301-T305 PolarHBondContact O-OG1 2.85Å
302	R	34.3	Very low	36	Very low	171 Å²	171	111.1 Å²	111.1	65%	0.645	55%	0.546	S	S	*	.	H	α-helix	trans	-66.7	-35.7	173.5	-78.2	173.9	174.2	168.3	-0.1	113	S298 R299 I300 T305 A306	S298-R302 VanDerWaalsContact O-CB 3.26Å; S298-R302 WeakPolarHBondContact O-CB 3.41Å; S298-R302 VanDerWaalsContact O-CG 3.23Å; S298-R302 WeakPolarHBondContact O-CG 3.23Å; S298-R302 PolarHBondContact O-N 2.69Å; R299-R302 PolarHBondContact O-N 2.67Å; I300-R302 VanDerWaalsContact C-N 3.34Å; I300-R302 PolarHBondContact O-N 2.75Å; R302-T305 WeakPolarHBondContact CA-OG1 3.49Å; R302-T305 PolarHBondContact O-OG1 3.03Å; R302-A306 WeakPolarHBondContact O-CB 3.47Å; R302-A306 PolarHBondContact O-N 2.79Å
303	F	33	Very low	35.6	Very low	144 Å²	144	113.1 Å²	113.1	63%	0.632	56%	0.56	S	S	*	*	H	α-helix	trans	-63.5	-48	173.1	-104.9	-90.2	0	0	0	111.6	R299 I300 T305 A306 E307	R299-F303 PolarHBondContact O-N 3.13Å; I300-F303 PolarHBondContact O-N 3.38Å; F303-T305 VanDerWaalsContact C-N 3.3Å; F303-T305 PolarHBondContact O-N 3.35Å; F303-A306 PolarHBondContact O-N 3.02Å; F303-E307 PolarHBondContact O-N 2.75Å
304	M	32.2	Very low	35.2	Very low	121 Å²	121	118.1 Å²	118.1	60%	0.596	58%	0.578	S	S	*	*	H	α-helix	trans	-65.6	-30.9	179.4	-63.5	-153.4	-57	0	0	113.3	I300 I301 C308	I300-M304 PolarHBondContact O-N 3.21Å; I301-M304 PolarHBondContact O-N 3.21Å; M304-C308 PolarHBondContact O-SG 3.32Å
305	T	36.4	Very low	34.7	Very low	81 Å²	81	121 Å²	121	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-78.9	-30.9	172.9	39.7	0	0	0	0	113.2	I301 R302 F303	I301-T305 PolarHBondContact O-N 3.11Å; I301-T305 VanDerWaalsContact O-N 3.09Å; I301-T305 PolarHBondContact O-OG1 2.85Å; R302-T305 WeakPolarHBondContact CA-OG1 3.49Å; R302-T305 PolarHBondContact O-OG1 3.03Å; F303-T305 VanDerWaalsContact C-N 3.3Å; F303-T305 PolarHBondContact O-N 3.35Å
306	A	31.5	Very low	34.1	Very low	44 Å²	44	119.9 Å²	119.9	36%	0.364	61%	0.607	S	S	.	*	H	α-helix	trans	-70.6	-43	176	0	0	0	0	0	112.9	R302 F303 C308 Q309 F310	R302-A306 WeakPolarHBondContact O-CB 3.47Å; R302-A306 PolarHBondContact O-N 2.79Å; F303-A306 PolarHBondContact O-N 3.02Å; A306-C308 VanDerWaalsContact C-N 3.31Å; A306-C308 PolarHBondContact O-N 2.57Å; A306-Q309 PolarHBondContact O-N 2.72Å; A306-F310 PolarHBondContact O-N 2.71Å
307	E	34.8	Very low	33.6	Very low	113 Å²	113	124.2 Å²	124.2	53%	0.528	63%	0.628	S	S	.	*	H	α-helix	trans	-63.7	-36	179.1	-71.1	-157.8	143	0	0	112.6	F303 Q309 F310 R311	F303-E307 PolarHBondContact O-N 2.75Å; E307-Q309 PolarHBondContact O-N 3.03Å; E307-F310 PolarHBondContact O-N 2.98Å; E307-R311 PolarHBondContact O-N 2.76Å; E307-R311 VanDerWaalsContact O-N 3.1Å
308	C	31.9	Very low	33	Very low	94 Å²	94	124.7 Å²	124.7	64%	0.635	64%	0.639	S	S	*	*	H	α-helix	trans	-63	-23	172.6	-74.9	0	0	0	0	113.8	M304 A306	M304-C308 PolarHBondContact O-SG 3.32Å; A306-C308 VanDerWaalsContact C-N 3.31Å; A306-C308 PolarHBondContact O-N 2.57Å
309	Q	34.6	Very low	32.6	Very low	156 Å²	156	130.2 Å²	130.2	73%	0.729	67%	0.671	S	S	*	*	H	α-helix	trans	-93.5	-37.1	175.9	-66.5	-177.2	1.1	0	0	112	A306 E307	A306-Q309 PolarHBondContact O-N 2.72Å; E307-Q309 PolarHBondContact O-N 3.03Å
310	F	28.9	Very low	32	Very low	170 Å²	170	127.5 Å²	127.5	75%	0.746	68%	0.678	S	S	*	*	H	α-helix	trans	-72.7	-32	-178.6	-114.7	-89.2	0	0	0	114.2	A306 E307 N312 S313	A306-F310 PolarHBondContact O-N 2.71Å; E307-F310 PolarHBondContact O-N 2.98Å; F310-N312 PolarHBondContact O-N 2.92Å; F310-N312 VanDerWaalsContact O-N 3.1Å; F310-S313 PolarHBondContact O-N 3.48Å
311	R	33.2	Very low	31.7	Very low	152 Å²	152	129.8 Å²	129.8	57%	0.574	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-14.6	-179.1	-81.6	178.8	167.9	-104.2	-4.6	114.5	E105 E307 S313	E105-R311 IonicContact OE1-CZ 2.94Å; E105-R311 IonicContact OE1-NH1 3.43Å; E105-R311 IonicContact OE1-NH2 3.53Å; E105-R311 PolarHBondContact OE1-NH2 3.39Å; E105-R311 IonicContact OE2-CZ 3.97Å; E105-R311 IonicContact OE2-NH1 3.63Å; E105-R311 PolarHBondContact OE2-NH1 2.96Å; E105-R311 IonicContact OE2-NH2 3.17Å; E105-R311 PolarHBondContact OE2-NH2 2.96Å; E307-R311 PolarHBondContact O-N 2.76Å; E307-R311 VanDerWaalsContact O-N 3.1Å; R311-S313 VanDerWaalsContact C-N 3.33Å; R311-S313 PolarHBondContact O-N 3.35Å
312	N	32	Very low	31.2	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	7.4	177.9	-77.9	-37	0	0	0	114.8	F310	F310-N312 PolarHBondContact O-N 2.92Å; F310-N312 VanDerWaalsContact O-N 3.1Å
313	S	32.2	Very low	30.8	Very low	93 Å²	93	132.9 Å²	132.9	65%	0.65	71%	0.711	S	S	*	*			trans	-155	88.7	173.6	-80	0	0	0	0	114.1	F310 R311	F310-S313 PolarHBondContact O-N 3.48Å; R311-S313 VanDerWaalsContact C-N 3.33Å; R311-S313 PolarHBondContact O-N 3.35Å
314	F	31.3	Very low	30.4	Very low	204 Å²	204	129.7 Å²	129.7	90%	0.895	72%	0.72	S	S	*	*			trans	-161.3	120	134.9	-116.1	-72.4	0	0	0	112.1
315	N	29.8	Very low	30.2	Very low	165 Å²	165	130 Å²	130	88%	0.882	73%	0.728	S	S	*	*			trans	-92	119.8	175.6	-104.6	-36.9	0	0	0	110.8
316	G	27.9	Very low	29.6	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	74%	0.744	S	S	*	*			trans	64.4	114.4	150.3	0	0	0	0	0	119.8
317	Q	29.7	Very low	29.3	Very low	210 Å²	210	142 Å²	142	98%	0.981	77%	0.765	S	S	*	*				-165.2	151.5	116.9	-104.1	168.4	39.5	0	0	111
318	S	27.5	Very low	29	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	77%	0.774	S	S	*	*			trans	-109.9	140.7	-168.2	60.6	0	0	0	0	113.8
319	V	30.3	Very low	28.7	Very low	155 Å²	155	143.7 Å²	143.7	94%	0.939	77%	0.773	S	S	*	*			trans	-131.2	138.4	161.3	-175.8	0	0	0	0	108.7
320	A	25.5	Very low	28.3	Very low	83 Å²	83	141.8 Å²	141.8	69%	0.686	78%	0.775	S	S	*	*			trans	-132.5	136.4	-170	0	0	0	0	0	113.4
321	N	30.5	Very low	28.3	Very low	146 Å²	146	143.7 Å²	143.7	78%	0.781	78%	0.783	S	S	*	*			trans	171.8	147.6	160.4	-89.7	-47.1	0	0	0	107.4
322	R	27.6	Very low	28.1	Very low	224 Å²	224	141.2 Å²	141.2	85%	0.845	79%	0.789	S	S	*	*			cis	-154.4	168.9	-13.1	-120.4	169.1	-178.9	-155.1	-2.9	108
323	P	26.9	Very low	27.9	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	79%	0.793	S	S	*	*			trans	-93.1	157.6	-143.3	35.3	-40.4	0	0	0	117.9
324	G	24.7	Very low	27.8	Very low	78 Å²	78	144.1 Å²	144.1	80%	0.804	80%	0.8	S	S	*	*			trans	-148.7	42	168.7	0	0	0	0	0	113.3
325	V	26.5	Very low	27.6	Very low	127 Å²	127	138.4 Å²	138.4	77%	0.77	79%	0.786	S	S	*	*			trans	-78.4	122	-170.5	-178.6	0	0	0	0	112.5
326	I	25.3	Very low	27.7	Very low	161 Å²	161	139.5 Å²	139.5	83%	0.826	79%	0.785	S	S	*	*			trans	-105.1	127.7	160.3	-63.4	178.9	0	0	0	107.8
327	R	24.8	Very low	27.6	Very low	215 Å²	215	144.2 Å²	144.2	81%	0.811	79%	0.789	S	S	*	*			trans	-78.5	123.7	178.9	-71.5	176.1	169.1	166.7	-5.9	110.8	V329	R327-V329 HydrophobicContact CB-CG2 4Å
328	I	27.8	Very low	27.6	Very low	141 Å²	141	141.2 Å²	141.2	72%	0.723	78%	0.78	S	S	*	*			trans	-85.9	125.6	148.5	-59.8	177.8	0	0	0	106.4
329	V	25.5	Very low	27.5	Very low	102 Å²	102	141.9 Å²	141.9	62%	0.618	78%	0.779	S	S	*	*			trans	-114.5	122.9	176.8	-177.4	0	0	0	0	107.6	R327 K331	R327-V329 HydrophobicContact CB-CG2 4Å; V329-K331 PolarHBondContact O-N 3.32Å
330	P	27.1	Very low	27.5	Very low	117 Å²	117	138.8 Å²	138.8	76%	0.76	77%	0.77	S	S	*	*			trans	-59	128	173	-22	33.1	0	0	0	110.2	S332	P330-S332 PolarHBondContact O-N 3.43Å; P330-S332 VanDerWaalsContact O-N 3.13Å
331	K	27.5	Very low	27.8	Very low	209 Å²	209	140.7 Å²	140.7	91%	0.909	78%	0.778	S	S	*	*			trans	-81	91.4	174	-77	-174.7	176.4	178.4	0	109.8	V329 S333	V329-K331 PolarHBondContact O-N 3.32Å; K331-S333 PolarHBondContact O-N 3.48Å
332	S	29.2	Very low	27.9	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	77%	0.774	S	S	*	*			trans	-56.5	127.1	163.8	52.8	0	0	0	0	110.2	P330	P330-S332 PolarHBondContact O-N 3.43Å; P330-S332 VanDerWaalsContact O-N 3.13Å
333	S	28.4	Very low	27.9	Very low	118 Å²	118	134.4 Å²	134.4	83%	0.825	77%	0.773	S	S	*	*			trans	-70.7	130	175.9	40.2	0	0	0	0	111	K331 S335	K331-S333 PolarHBondContact O-N 3.48Å; S333-S335 PolarHBondContact O-N 3.39Å
334	H	30.9	Very low	28	Very low	173 Å²	173	134.9 Å²	134.9	80%	0.801	78%	0.778	S	S	*	*			trans	-82.3	98.2	176.7	-99.8	-69.2	0	0	0	111.5
335	S	26.1	Very low	28.3	Very low	84 Å²	84	137.2 Å²	137.2	59%	0.587	78%	0.777	S	S	*	*			trans	31.9	116.8	132	60.8	0	0	0	0	118.9	S333	S333-S335 PolarHBondContact O-N 3.39Å
336	H	31.6	Very low	28.6	Very low	188 Å²	188	140.1 Å²	140.1	87%	0.87	78%	0.782	S	S	*	*			trans	-99	162.1	132.3	-95.5	-88.5	0	0	0	109.8
337	Q	26.7	Very low	28.9	Very low	166 Å²	166	140.8 Å²	140.8	78%	0.776	79%	0.786	S	S	*	*			trans	-94.4	147.8	-155.4	-61.7	151.6	-47.1	0	0	113.7
338	N	28.7	Very low	29.2	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	78%	0.782	S	S	*	*			trans	176.5	100	143.6	-87.8	-16.5	0	0	0	107.5
339	T	26.9	Very low	29.4	Very low	127 Å²	127	137.2 Å²	137.2	78%	0.779	79%	0.79	S	S	*	*				77.5	131.8	87.8	55.6	0	0	0	0	116.1
340	A	29.9	Very low	29.6	Very low	90 Å²	90	138 Å²	138	74%	0.744	80%	0.8	S	S	*	*			trans	86.4	116.6	165.2	0	0	0	0	0	120.2
341	S	31	Very low	29.9	Very low	123 Å²	123	142.2 Å²	142.2	86%	0.86	81%	0.807	S	S	*	*			trans	62.4	161.4	155.2	64.3	0	0	0	0	120.1
342	A	33.3	Very low	30.1	Very low	84 Å²	84	138.8 Å²	138.8	69%	0.694	80%	0.803	S	S	*	*			cis	-164.3	146.1	-37.6	0	0	0	0	0	110.2
343	D	27.1	Very low	30.2	Very low	155 Å²	155	140.8 Å²	140.8	83%	0.829	80%	0.804	S	S	*	*			trans	26.3	93.9	157.1	-54.5	-26.6	0	0	0	121.4
344	C	28.5	Very low	30.4	Very low	125 Å²	125	147 Å²	147	85%	0.845	81%	0.81	S	S	*	*			trans	-177.9	134.9	145.8	-98.4	0	0	0	0	109
345	T	32.5	Very low	30.4	Very low	128 Å²	128	147.9 Å²	147.9	79%	0.785	81%	0.811	S	S	*	*			cis	-142.9	156.5	-6.1	44.6	0	0	0	0	109.9
346	Q	31.7	Very low	30.6	Very low	188 Å²	188	153.6 Å²	153.6	88%	0.879	83%	0.829	S	S	*	*			trans	-122.9	122.5	163.4	-71.4	-173.4	8	0	0	109.8
347	L	31.1	Very low	30.7	Very low	174 Å²	174	153.4 Å²	153.4	91%	0.911	83%	0.828	S	S	*	*			trans	-166.9	156.7	152	-134.5	70	0	0	0	110.7
348	A	31.8	Very low	31	Very low	88 Å²	88	155.1 Å²	155.1	73%	0.727	83%	0.833	S	S	*	*			trans	60.6	131.1	-177.3	0	0	0	0	0	115.8
349	E	31.1	Very low	31.2	Very low	193 Å²	193	156.7 Å²	156.7	90%	0.902	84%	0.841	S	S	*	*			cis	-151.2	137.7	-4.3	-124.7	172.8	-136.6	0	0	109.9
350	S	30.3	Very low	31.3	Very low	118 Å²	118	154.5 Å²	154.5	83%	0.825	84%	0.843	S	S	*	*			trans	-157	78.2	178.3	46	0	0	0	0	112.5
351	K	34	Very low	31.3	Very low	206 Å²	206	153.4 Å²	153.4	90%	0.896	84%	0.841	S	S	*	*			trans	-163.5	60.5	-178.6	-117.4	168.4	-170.2	176.2	0	116.2
352	V	31.1	Very low	31.5	Very low	137 Å²	137	157.3 Å²	157.3	83%	0.83	84%	0.842	S	S	*	*			trans	-131.5	93.8	160.1	-174.8	0	0	0	0	112.9
353	I	32	Very low	31.4	Very low	143 Å²	143	160.9 Å²	160.9	73%	0.733	85%	0.848	S	S	*	*			trans	50.7	110.1	137.7	-55.9	174.2	0	0	0	119.3	K355	I353-K355 HydrophobicContact CG2-CB 4.01Å; I353-K355 PolarHBondContact O-N 3.46Å
354	R	31.6	Very low	31.7	Very low	249 Å²	249	159.8 Å²	159.8	94%	0.94	85%	0.846	S	S	*	*			trans	-69.1	108.1	148	-66.1	171.9	175.1	159.8	-4.5	109.7
355	K	30.3	Very low	31.8	Very low	191 Å²	191	162.4 Å²	162.4	83%	0.83	84%	0.843	S	S	*	*			trans	-179.3	80.3	157.4	-110.9	178.4	179	-176.7	0	113.2	I353	I353-K355 HydrophobicContact CG2-CB 4.01Å; I353-K355 PolarHBondContact O-N 3.46Å
356	Q	31.6	Very low	31.7	Very low	205 Å²	205	164.1 Å²	164.1	96%	0.958	84%	0.843	S	S	*	*			trans	-147.3	58	154	-78.8	-152.2	-12.8	0	0	111.1
357	E	32.8	Very low	31.7	Very low	183 Å²	183	160.3 Å²	160.3	86%	0.855	83%	0.828	S	S	*	*	S	Bend	trans	-109.6	142.3	152.1	-69.2	-172.2	142.6	0	0	107.7
358	K	34.2	Very low	31.8	Very low	203 Å²	203	161.6 Å²	161.6	88%	0.883	83%	0.829	S	S	*	*	S	Bend	trans	62.6	85	179.1	-53.8	176	-177	176.5	0	116.1
359	L	32.5	Very low	32	Very low	181 Å²	181	160.9 Å²	160.9	95%	0.948	82%	0.824	S	S	*	*			trans	-165.1	135.5	148.8	-107.4	163.6	0	0	0	109.6
360	G	29.1	Very low	32.2	Very low	81 Å²	81	159.5 Å²	159.5	84%	0.835	81%	0.81	S	S	*	*			trans	78.1	109.8	172.3	0	0	0	0	0	116.7
361	G	30.6	Very low	32.4	Very low	67 Å²	67	161.5 Å²	161.5	69%	0.691	81%	0.812	S	S	*	*			cis	132.1	35.3	-15.5	0	0	0	0	0	118.9
362	K	35.2	Very low	32.5	Very low	205 Å²	205	156 Å²	156	89%	0.891	80%	0.799	S	S	*	*			trans	74.2	176.9	177.7	-51.5	175.4	175.9	176.7	0	115
363	I	30.8	Very low	32.7	Very low	159 Å²	159	152.7 Å²	152.7	82%	0.815	79%	0.787	S	S	*	*			trans	78.7	116.6	175	-54.1	169	0	0	0	111.8
364	V	32.4	Very low	32.9	Very low	131 Å²	131	154.4 Å²	154.4	79%	0.794	79%	0.791	S	S	*	*			cis	-125	-179.6	0.9	-163	0	0	0	0	110.2
365	K	29.9	Very low	33	Very low	180 Å²	180	150.1 Å²	150.1	78%	0.783	79%	0.786	S	S	*	*			trans	-94.2	-178	165.1	-61.4	174.8	179.8	175.9	0	110.5
366	E	30.4	Very low	33.2	Very low	165 Å²	165	148.1 Å²	148.1	77%	0.771	78%	0.779	S	S	*	*			trans	70.8	128.9	-176.3	-59.4	144.5	-134.6	0	0	110.7
367	D	32.7	Very low	33.4	Very low	107 Å²	107	147.7 Å²	147.7	57%	0.572	77%	0.774	S	S	*	*	S	Bend	cis	-125.1	4	35.4	-92.9	-55.7	0	0	0	116.8	A369 R370	D367-A369 PolarHBondContact O-N 2.62Å; D367-R370 PolarHBondContact O-N 2.9Å; D367-R370 IonicContact OD1-CZ 3.55Å; D367-R370 IonicContact OD1-NH1 2.75Å; D367-R370 PolarHBondContact OD1-NH1 3.27Å; D367-R370 IonicContact OD1-NH2 3.74Å
368	E	34	Very low	33.5	Very low	201 Å²	201	145.6 Å²	145.6	94%	0.939	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	1.1	-174.8	-65.9	-170	130.3	0	0	115.8
369	A	35.6	Very low	33.2	Very low	74 Å²	74	145.9 Å²	145.9	61%	0.612	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-11	-177.6	0	0	0	0	0	115.2	D367	D367-A369 PolarHBondContact O-N 2.62Å
370	R	35.3	Very low	33.3	Very low	164 Å²	164	145 Å²	145	62%	0.619	77%	0.767	S	S	*	*	S	Bend	trans	-83.5	-35.2	-173.6	-159.2	169.1	-73.4	120.9	3.8	113.2	D367 S372	D367-R370 PolarHBondContact O-N 2.9Å; D367-R370 IonicContact OD1-CZ 3.55Å; D367-R370 IonicContact OD1-NH1 2.75Å; D367-R370 PolarHBondContact OD1-NH1 3.27Å; D367-R370 IonicContact OD1-NH2 3.74Å; R370-S372 VanDerWaalsContact C-N 3.35Å; R370-S372 PolarHBondContact O-N 3.39Å
371	N	34.1	Very low	33.5	Very low	160 Å²	160	148.1 Å²	148.1	86%	0.856	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	3.6	-178.2	-72	-3.4	0	0	0	115.1
372	S	35.9	Very low	33.5	Very low	89 Å²	89	152.8 Å²	152.8	62%	0.622	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	1.3	174.2	64.6	0	0	0	0	114	R370	R370-S372 VanDerWaalsContact C-N 3.35Å; R370-S372 PolarHBondContact O-N 3.39Å
373	A	36.5	Very low	33.3	Very low	69 Å²	69	151.9 Å²	151.9	57%	0.57	77%	0.773	S	S	*	*	S	Bend	trans	-95.7	-29	-170.6	0	0	0	0	0	114.7
374	E	35.8	Very low	33.3	Very low	178 Å²	178	152.1 Å²	152.1	83%	0.832	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-84.1	-17.3	-174.3	-65	-167.5	117.6	0	0	114.3	H376	E374-H376 PolarHBondContact O-N 3.12Å
375	L	33.2	Very low	33.2	Very low	159 Å²	159	154.1 Å²	154.1	83%	0.832	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-78.4	4.6	-176.3	-88.8	165.5	0	0	0	115.2
376	H	33.9	Very low	33	Very low	149 Å²	149	149.6 Å²	149.6	69%	0.69	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-117.6	14	-172.2	-132.4	-69.7	0	0	0	115.6	E374	E374-H376 PolarHBondContact O-N 3.12Å
377	K	36.6	Very low	32.8	Very low	196 Å²	196	147.1 Å²	147.1	85%	0.852	78%	0.776	S	S	*	*	S	Bend	trans	-110.8	12	-171.6	-139.8	178.7	-176.5	-179	0	115.9
378	V	34	Very low	32.5	Very low	139 Å²	139	147.1 Å²	147.1	84%	0.842	79%	0.785	S	S	*	*	S	Bend	trans	-136.1	43.4	-175.2	-159.2	0	0	0	0	111.9
379	Y	29.6	Very low	32.2	Very low	210 Å²	210	146 Å²	146	82%	0.824	78%	0.781	S	S	*	*	S	Bend	trans	-142.2	15	-176.3	-149.9	-100.3	0	0	0	115.4
380	N	32.7	Very low	32	Very low	163 Å²	163	150.4 Å²	150.4	87%	0.872	80%	0.795	S	S	*	*	S	Bend	trans	-117.7	-0.2	-174	-90.5	2	0	0	0	115.8
381	D	33.8	Very low	31.4	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	81%	0.806	S	S	*	*	S	Bend	trans	-102.2	141.7	173.9	-64.9	-54.2	0	0	0	111.2
382	N	30.4	Very low	31.3	Very low	164 Å²	164	147.7 Å²	147.7	88%	0.877	80%	0.795	S	S	*	*			trans	78	49.6	176.3	-45.9	-68.4	0	0	0	117.4
383	Q	31.4	Very low	31	Very low	187 Å²	187	150.5 Å²	150.5	87%	0.874	80%	0.802	S	S	*	*			trans	-96.7	113.3	133	-81.5	-164.1	35.5	0	0	109.1
384	L	30.6	Very low	30.5	Very low	164 Å²	164	156.6 Å²	156.6	86%	0.859	81%	0.812	S	S	*	*			trans	161.8	164.9	140	-90.1	163.7	0	0	0	111.2
385	I	30.8	Very low	30	Very low	172 Å²	172	154.1 Å²	154.1	88%	0.882	80%	0.804	S	S	*	*			trans	71.7	143.4	-179.5	-49.2	178.9	0	0	0	113
386	A	24.9	Very low	29.9	Very low	86 Å²	86	156.8 Å²	156.8	71%	0.711	81%	0.809	S	S	*	*			trans	-135.1	-174.1	-162.5	0	0	0	0	0	112.1
387	S	26.6	Very low	29.5	Very low	112 Å²	112	154.9 Å²	154.9	78%	0.783	81%	0.807	S	S	*	*			trans	86	108.1	164	-56.1	0	0	0	0	118.2
388	S	26.4	Very low	29.1	Very low	108 Å²	108	152.3 Å²	152.3	76%	0.755	80%	0.801	S	S	*	*			trans	88.4	133.9	143.5	84.1	0	0	0	0	120.6
389	M	27.6	Very low	29	Very low	176 Å²	176	150.8 Å²	150.8	87%	0.867	79%	0.794	S	S	*	*			trans	68.7	117.3	153.8	-58.3	-171.8	-170.1	0	0	121.8
390	N	31.3	Very low	29	Very low	167 Å²	167	148.9 Å²	148.9	89%	0.893	79%	0.793	S	S	*	*			trans	76.7	146.3	148.7	-87.4	-25.8	0	0	0	123.2
391	M	23.9	Very low	28.8	Very low	172 Å²	172	147.4 Å²	147.4	85%	0.847	79%	0.79	S	S	*	*			trans	-91.7	179.1	-177.8	-78.2	-90.5	176.6	0	0	111.4
392	P	32.4	Very low	28.5	Very low	96 Å²	96	147.8 Å²	147.8	62%	0.623	79%	0.792	S	S	*	*			cis	-134.8	171	-34.8	35.1	-20.1	0	0	0	113
393	N	28.3	Very low	28.4	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	78%	0.778	S	S	*	*				179.5	154.5	128.3	-98.7	-41	0	0	0	116.7
394	Y	26.6	Very low	28.2	Very low	197 Å²	197	142.6 Å²	142.6	77%	0.773	77%	0.774	S	S	*	*			trans	50.1	115.9	151.1	-89.2	-105.3	0	0	0	124.6
395	L	25.6	Very low	28.2	Very low	126 Å²	126	143.7 Å²	143.7	66%	0.66	78%	0.777	S	S	*	*			trans	34.6	119.5	135.4	-60.1	-178.8	0	0	0	122.1
396	K	30.5	Very low	28	Very low	216 Å²	216	147 Å²	147	94%	0.939	78%	0.778	S	S	*	*				-148.1	165.6	128.7	-112.8	170.5	-175.4	176.8	0	110.5
397	V	26.7	Very low	28.3	Very low	108 Å²	108	146.3 Å²	146.3	66%	0.655	78%	0.78	S	S	*	*			trans	-140.8	121.2	-150.9	169.4	0	0	0	0	112.6
398	I	28.1	Very low	28.3	Very low	142 Å²	142	148.7 Å²	148.7	73%	0.728	78%	0.784	S	S	*	*			trans	66.7	146.8	154.5	-69.1	169.8	0	0	0	116.7
399	P	31.1	Very low	28.5	Very low	107 Å²	107	147.2 Å²	147.2	70%	0.695	79%	0.786	S	S	*	*			cis	-133.1	177.3	-42.2	39.5	-21.7	0	0	0	112.7
400	Q	28.9	Very low	28.6	Very low	171 Å²	171	145.2 Å²	145.2	80%	0.799	78%	0.784	S	S	*	*			trans	-143.9	151.5	145.9	-82.4	-153.4	-1.2	0	0	111.5
401	V	28.8	Very low	28.6	Very low	131 Å²	131	146 Å²	146	79%	0.794	79%	0.787	S	S	*	*			trans	-96.1	132.2	-176.3	-179.2	0	0	0	0	109.3	P403	V401-P403 VanDerWaalsContact O-CD 3.32Å; V401-P403 WeakPolarHBondContact O-CD 3.35Å
402	N	27	Very low	28.8	Very low	154 Å²	154	141 Å²	141	82%	0.824	78%	0.78	S	S	*	*			trans	-112.5	94.9	177	-157.8	34.1	0	0	0	111.2
403	P	27.9	Very low	28.6	Very low	90 Å²	90	140.9 Å²	140.9	58%	0.584	79%	0.787	S	S	*	*			trans	-73.2	173.5	160.5	34.3	-33.3	0	0	0	110.2	V401	V401-P403 VanDerWaalsContact O-CD 3.32Å; V401-P403 WeakPolarHBondContact O-CD 3.35Å
404	L	27.6	Very low	28.6	Very low	153 Å²	153	145.1 Å²	145.1	80%	0.801	79%	0.793	S	S	*	*			trans	81.2	99.3	-174.7	-53.8	168.8	0	0	0	115.9
405	M	31.5	Very low	28.8	Very low	186 Å²	186	146.8 Å²	146.8	92%	0.916	80%	0.8	S	S	*	*				-149.7	98.1	127.9	-85.2	-53.4	-77.2	0	0	107.4
406	W	26.9	Very low	29.1	Very low	241 Å²	241	144.4 Å²	144.4	91%	0.913	81%	0.805	S	S	*	*			trans	-83.6	140.7	164	-82.8	26.8	0	0	0	108.8
407	G	29.8	Very low	29.2	Very low	73 Å²	73	143.1 Å²	143.1	75%	0.753	80%	0.803	S	S	*	*			trans	-149.1	121.2	176.6	0	0	0	0	0	109.6
408	N	27.7	Very low	29.5	Very low	162 Å²	162	146.6 Å²	146.6	87%	0.866	82%	0.817	S	S	*	*			trans	-74.6	144.3	-165.7	-65.2	-33.2	0	0	0	113.3
409	G	30	Very low	29.6	Very low	77 Å²	77	143.1 Å²	143.1	79%	0.794	82%	0.816	S	S	*	*			trans	-157.1	103.5	169.6	0	0	0	0	0	109.8
410	T	29.1	Very low	29.7	Very low	134 Å²	134	143.6 Å²	143.6	82%	0.822	82%	0.819	S	S	*	*			trans	-86.5	133.4	-168.1	41.2	0	0	0	0	113.7
411	L	31.1	Very low	29.8	Very low	183 Å²	183	146.5 Å²	146.5	96%	0.958	82%	0.824	S	S	*	*			trans	153.7	139.1	152	-88.1	160.8	0	0	0	108
412	G	28.3	Very low	30.2	Very low	67 Å²	67	145.8 Å²	145.8	69%	0.691	82%	0.822	S	S	*	*			cis	-178	131.1	-7.4	0	0	0	0	0	107.2
413	A	28.7	Very low	30.4	Very low	93 Å²	93	143.6 Å²	143.6	77%	0.769	82%	0.817	S	S	*	*			trans	-80.3	138.8	-166.4	0	0	0	0	0	113.4
414	Y	29.6	Very low	30.6	Very low	236 Å²	236	147.1 Å²	147.1	93%	0.925	83%	0.83	S	S	*	*			trans	-141.7	121.9	154.3	-104.4	-81.4	0	0	0	110.2
415	Y	29.4	Very low	31	Very low	233 Å²	233	145.5 Å²	145.5	91%	0.914	83%	0.828	S	S	*	*			trans	-85.1	148.4	164.8	-91.3	-103.1	0	0	0	109.3
416	G	33.3	Very low	31.1	Very low	75 Å²	75	141.9 Å²	141.9	77%	0.773	82%	0.819	S	S	*	*			trans	-161	128.4	171.8	0	0	0	0	0	110.8
417	Q	32.4	Very low	31.6	Very low	189 Å²	189	135.5 Å²	135.5	88%	0.883	81%	0.811	S	S	*	*			trans	-93.1	-165.7	176.7	-64.6	174.1	-67.3	0	0	110.9
418	L	32.6	Very low	31.6	Very low	182 Å²	182	136.6 Å²	136.6	95%	0.953	81%	0.807	S	S	*	*			trans	83.9	140.3	-169.7	-50.2	167.5	0	0	0	112.5
419	G	30.4	Very low	31.8	Very low	69 Å²	69	136 Å²	136	71%	0.711	80%	0.803	S	S	*	*			cis	152.8	121.2	0.2	0	0	0	0	0	109.3
420	P	33.7	Very low	31.8	Very low	117 Å²	117	138.2 Å²	138.2	76%	0.76	80%	0.801	S	S	*	*			trans	-97.8	143	-166.2	36	-34.5	0	0	0	114.8
421	Y	30.1	Very low	31.9	Very low	231 Å²	231	144 Å²	144	91%	0.906	81%	0.808	S	S	*	*			trans	178.7	172.2	160.7	-90.9	-53.5	0	0	0	109.4
422	P	36.3	Very low	31.9	Very low	116 Å²	116	146.6 Å²	146.6	75%	0.753	81%	0.805	S	S	*	*			cis	-128.2	-176.1	-20.9	36.5	-18.4	0	0	0	113.7
423	P	31.5	Very low	32	Very low	109 Å²	109	151.7 Å²	151.7	71%	0.708	81%	0.813	S	S	*	*			trans	-118.9	148.8	177.5	39	-28.1	0	0	0	117.2
424	L	32.6	Very low	32.3	Very low	163 Å²	163	153.4 Å²	153.4	85%	0.853	82%	0.817	S	S	*	*			trans	64.7	152.9	159.5	-60.2	174.6	0	0	0	118.9
425	P	35.1	Very low	32.3	Very low	119 Å²	119	147.2 Å²	147.2	77%	0.773	81%	0.807	S	S	*	*				-140	171.4	89.5	40.1	-26.4	0	0	0	115.7
426	P	34.5	Very low	32.3	Very low	110 Å²	110	146 Å²	146	71%	0.714	80%	0.801	S	S	*	*			trans	-107.3	-167.8	179	41.9	-35.5	0	0	0	114.6
427	S	36.5	Very low	32.3	Very low	108 Å²	108	154.4 Å²	154.4	76%	0.755	81%	0.81	S	S	*	*			trans	78	151.8	167.1	-67.1	0	0	0	0	117.6
428	S	31	Very low	32	Very low	95 Å²	95	152.5 Å²	152.5	66%	0.664	80%	0.801	S	S	*	*			cis	-167.3	156.4	-12.6	-103.2	0	0	0	0	113.4
429	L	32.2	Very low	32.2	Very low	149 Å²	149	152.3 Å²	152.3	78%	0.78	80%	0.8	S	S	*	*			trans	66.2	109.5	147.5	-66.4	168.2	0	0	0	123.5
430	T	29.1	Very low	32	Very low	124 Å²	124	153.9 Å²	153.9	76%	0.761	80%	0.8	S	S	*	*				60.9	126.4	129.9	61.4	0	0	0	0	123.8
431	R	32.5	Very low	31.9	Very low	255 Å²	255	152 Å²	152	96%	0.962	80%	0.795	S	S	*	*				-149.8	159.4	125.6	-107.9	175.4	-161.8	-119.3	0.4	111
432	R	30.3	Very low	32.1	Very low	239 Å²	239	150.9 Å²	150.9	90%	0.902	80%	0.795	S	S	*	*			trans	-97.5	145.6	-172.9	-81.9	180	169.9	176.8	-3.6	113.5
433	M	29.3	Very low	31.9	Very low	173 Å²	173	150.8 Å²	150.8	85%	0.852	80%	0.797	S	S	*	*			trans	6.8	144.3	130.4	-67	-69.1	-176.9	0	0	118.1
434	P	36.2	Very low	32.1	Very low	130 Å²	130	151.3 Å²	151.3	84%	0.844	80%	0.8	S	S	*	*				-134.9	167.7	86.4	39.7	-29.8	0	0	0	115.9
435	S	28.4	Very low	32.3	Very low	105 Å²	105	151.8 Å²	151.8	73%	0.734	80%	0.802	S	S	*	*			trans	-107.2	-179.8	-179.8	58.8	0	0	0	0	112.7
436	R	31.3	Very low	32	Very low	208 Å²	208	150.9 Å²	150.9	79%	0.785	80%	0.798	S	S	*	*			trans	83.4	108.3	151.8	-161.8	-177.7	-164.1	-163.6	5.7	118.4	E438	R436-E438 IonicContact NH2-OE2 2.85Å
437	R	32.5	Very low	32	Very low	251 Å²	251	150.7 Å²	150.7	95%	0.947	80%	0.799	S	S	*	*				-153.4	140.1	117.5	-113.8	172.5	-177.6	165.2	1.2	111.7
438	E	26.7	Very low	32	Very low	150 Å²	150	153 Å²	153	70%	0.701	80%	0.799	S	S	*	*			trans	-88.8	159.6	172.9	-61.6	150	121.3	0	0	109.5	R436	R436-E438 IonicContact NH2-OE2 2.85Å
439	L	35	Very low	32	Very low	177 Å²	177	155.9 Å²	155.9	93%	0.927	81%	0.806	S	S	*	*			trans	-157.3	154	145.1	-107.6	170.3	0	0	0	109.1
440	S	27.6	Very low	32.1	Very low	103 Å²	103	153.4 Å²	153.4	72%	0.72	80%	0.8	S	S	*	*			trans	-136	168.8	-157.3	55.7	0	0	0	0	114
441	A	30.3	Very low	32.3	Very low	78 Å²	78	152.4 Å²	152.4	65%	0.645	80%	0.798	S	S	*	*			trans	68.5	153.4	176.8	0	0	0	0	0	114.6
442	F	34.5	Very low	32.5	Very low	206 Å²	206	145.2 Å²	145.2	90%	0.904	79%	0.788	S	S	*	*			cis	-134.4	176.3	27.3	-86.6	-92	0	0	0	115.1
443	S	32.6	Very low	32.7	Very low	114 Å²	114	138.6 Å²	138.6	80%	0.797	78%	0.784	S	S	*	*			trans	-100.8	171.1	-165.5	-55.5	0	0	0	0	113.8
444	P	36.3	Very low	33.1	Very low	121 Å²	121	135.9 Å²	135.9	79%	0.786	78%	0.782	S	S	*	*			trans	-94.5	174	-166.3	38.4	-36.3	0	0	0	115
445	I	35.6	Very low	33.1	Very low	173 Å²	173	134.7 Å²	134.7	89%	0.887	77%	0.774	S	S	*	*			trans	-125.8	147.4	169	-63.2	178.9	0	0	0	109.2
446	S	29.1	Very low	33.2	Very low	99 Å²	99	139.4 Å²	139.4	69%	0.692	78%	0.782	S	S	*	*			trans	-114.2	-179.8	-169.5	-58.2	0	0	0	0	113
447	S	35.4	Very low	33.4	Very low	106 Å²	106	135 Å²	135	74%	0.741	78%	0.78	S	S	*	*			trans	83.3	144.4	147.6	96.6	0	0	0	0	116
448	Q	35.7	Very low	33.5	Very low	158 Å²	158	130.6 Å²	130.6	74%	0.738	78%	0.775	S	S	*	*			cis	-144.5	167.5	-2.8	-71.6	-162.6	7.2	0	0	112.7
449	L	31	Very low	33.9	Very low	155 Å²	155	129.6 Å²	129.6	81%	0.812	78%	0.781	S	S	*	*			trans	21.4	158	135.9	-54.2	172.4	0	0	0	121.1
450	S	35.7	Very low	33.6	Very low	96 Å²	96	128.5 Å²	128.5	67%	0.671	78%	0.775	S	S	*	*			cis	-157.4	169.8	21.3	59.6	0	0	0	0	114.1
451	S	32.9	Very low	33.8	Very low	103 Å²	103	131.2 Å²	131.2	72%	0.72	78%	0.782	S	S	*	*			trans	58.1	146	144.5	53.7	0	0	0	0	121.4
452	S	35.9	Very low	33.6	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	79%	0.787	S	S	*	*			cis	-175.4	150	-6.4	46.5	0	0	0	0	111.4
453	A	35.2	Very low	33.5	Very low	100 Å²	100	129.5 Å²	129.5	83%	0.826	78%	0.779	S	S	*	*			trans	50.6	149.6	155.2	0	0	0	0	0	119.4
454	S	36.5	Very low	33.4	Very low	115 Å²	115	130.4 Å²	130.4	80%	0.804	78%	0.779	S	S	*	*			cis	-159.1	177.2	25.4	50.7	0	0	0	0	110.7
455	P	36.2	Very low	33.2	Very low	106 Å²	106	132.2 Å²	132.2	69%	0.688	78%	0.777	S	S	*	*			trans	-126	159.4	-154.9	42.7	-31.4	0	0	0	119.5
456	F	32.5	Very low	32.9	Very low	203 Å²	203	129 Å²	129	89%	0.89	77%	0.77	S	S	*	*			trans	63.5	171.8	161.6	-74.2	-64.6	0	0	0	117.5
457	P	35.3	Very low	33.1	Very low	116 Å²	116	132.2 Å²	132.2	75%	0.753	77%	0.774	S	S	*	*			cis	-123.3	-167.6	-1.8	41.3	-25.3	0	0	0	115.2
458	L	33.4	Very low	32.8	Very low	159 Å²	159	136 Å²	136	83%	0.832	78%	0.78	S	S	*	*			trans	-84.8	163.4	167.7	-58.3	170.1	0	0	0	110.7
459	P	35.2	Very low	32.6	Very low	128 Å²	128	134.3 Å²	134.3	83%	0.831	78%	0.783	S	S	*	*				-143.7	-172.7	91.4	39.7	-24.2	0	0	0	114.9
460	L	28.5	Very low	32.5	Very low	154 Å²	154	138.4 Å²	138.4	81%	0.806	79%	0.788	S	S	*	*			trans	-88.1	152.4	173.4	-64.5	147	0	0	0	110.7
461	D	31.7	Very low	32.4	Very low	161 Å²	161	140.9 Å²	140.9	86%	0.861	79%	0.794	S	S	*	*				-154.2	169.5	121	-141.2	-24.5	0	0	0	112.4
462	L	27.5	Very low	32.3	Very low	142 Å²	142	142.9 Å²	142.9	74%	0.743	80%	0.796	S	S	*	*			trans	-104.7	125.8	179.3	-111.2	68.2	0	0	0	111.2
463	S	31.8	Very low	32	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	80%	0.8	S	S	*	*			trans	-139	120.7	152.3	-173.6	0	0	0	0	110.2
464	V	29.6	Very low	32	Very low	134 Å²	134	144.9 Å²	144.9	81%	0.812	80%	0.799	S	S	*	*			trans	-92.1	111.5	169.5	176.2	0	0	0	0	106.9
465	H	33	Very low	31.8	Very low	158 Å²	158	144.7 Å²	144.7	73%	0.731	80%	0.795	S	S	*	*			trans	-130.4	128.3	164.6	-102.4	55.3	0	0	0	110.3
466	S	28.3	Very low	31.4	Very low	106 Å²	106	149.1 Å²	149.1	74%	0.741	81%	0.806	S	S	*	*			trans	-83.7	119.1	178	53.2	0	0	0	0	110.3
467	H	34.5	Very low	31.4	Very low	167 Å²	167	151 Å²	151	77%	0.773	81%	0.807	S	S	*	*			trans	-107	119.4	159.5	-87.6	-85.5	0	0	0	110.5	C469	H467-C469 PolarHBondContact O-N 3.01Å
468	Q	29.2	Very low	31.2	Very low	186 Å²	186	148.4 Å²	148.4	87%	0.869	80%	0.802	S	S	*	*			trans	-78.6	111.6	168.8	-67.2	172.7	-15.1	0	0	108.3
469	C	31.5	Very low	31	Very low	121 Å²	121	147.2 Å²	147.2	82%	0.818	81%	0.806	S	S	*	*			trans	-111.7	96.6	161.2	-67.4	0	0	0	0	108.2	H467	H467-C469 PolarHBondContact O-N 3.01Å
470	R	28.3	Very low	30.7	Very low	241 Å²	241	149 Å²	149	91%	0.909	80%	0.802	S	S	*	*			trans	-69.6	124.1	146.4	-81.5	176.3	166.3	160.5	-4.9	105.9
471	D	34.4	Very low	30.7	Very low	149 Å²	149	147.3 Å²	147.3	80%	0.797	80%	0.798	S	S	*	*				-155.5	168.7	119.1	-126.8	-39.8	0	0	0	112.7
472	N	29.2	Very low	30.7	Very low	144 Å²	144	148.4 Å²	148.4	77%	0.77	80%	0.796	S	S	*	*			trans	-95.6	133.6	-169.9	-54	-91.7	0	0	0	111.7
473	S	31.5	Very low	30.7	Very low	116 Å²	116	148.6 Å²	148.6	81%	0.811	79%	0.793	S	S	*	*			trans	169.5	171.5	134.4	48.8	0	0	0	0	112.9
474	V	34.4	Very low	30.8	Very low	132 Å²	132	152.1 Å²	152.1	80%	0.8	80%	0.797	S	S	*	*			trans	73.5	111.5	174.4	-166.6	0	0	0	0	115.6
475	P	31.9	Very low	31	Very low	111 Å²	111	150.6 Å²	150.6	72%	0.721	80%	0.799	S	S	*	*			trans	-93.3	169.5	-177.3	37.8	-36.6	0	0	0	114.2
476	E	27.9	Very low	31	Very low	198 Å²	198	146.8 Å²	146.8	93%	0.925	80%	0.802	S	S	*	*			trans	-60.4	133.3	178.7	-58.5	-177	132.8	0	0	113.7
477	R	33	Very low	31.3	Very low	243 Å²	243	147.4 Å²	147.4	92%	0.917	81%	0.806	S	S	*	*			trans	-143.1	134.7	159.4	-80.5	-170.6	-85.9	-167.8	-6.1	108.8
478	G	30.6	Very low	31.3	Very low	62 Å²	62	146.7 Å²	146.7	64%	0.639	81%	0.807	S	S	*	*			cis	-175.7	139	-9.9	0	0	0	0	0	110.9	H480	G478-H480 PolarHBondContact O-N 2.89Å
479	C	28.5	Very low	31.5	Very low	134 Å²	134	146.7 Å²	146.7	91%	0.905	81%	0.808	S	S	*	*			trans	-79.2	103.5	170.4	-72.9	0	0	0	0	109	V481	C479-V481 PolarHBondContact O-N 3.12Å
480	H	30.3	Very low	31.5	Very low	165 Å²	165	145.3 Å²	145.3	76%	0.764	80%	0.804	S	S	*	*			trans	-68.9	100.6	173.6	-87.8	-88	0	0	0	110.7	G478 F482	G478-H480 PolarHBondContact O-N 2.89Å; H480-F482 HydrophobicContact CB-CD2 4.49Å; H480-F482 AromaticContact ND1-CE2 4Å
481	V	28.1	Very low	31.8	Very low	118 Å²	118	140.1 Å²	140.1	72%	0.715	80%	0.802	S	S	*	*			trans	-71.3	131.6	151.9	-179.9	0	0	0	0	107.2	C479 E483	C479-V481 PolarHBondContact O-N 3.12Å; V481-E483 HydrophobicContact CG1-CG 3.91Å
482	F	32.2	Very low	32	Very low	185 Å²	185	141.6 Å²	141.6	81%	0.811	80%	0.804	S	S	*	*			trans	-120.2	123.3	162.8	-102.9	-86.8	0	0	0	107.2	H480	H480-F482 HydrophobicContact CB-CD2 4.49Å; H480-F482 AromaticContact ND1-CE2 4Å
483	E	27.3	Very low	32.1	Very low	146 Å²	146	139.4 Å²	139.4	68%	0.682	80%	0.8	S	S	*	*			trans	-102.8	163.5	175.4	-64	-171.2	107.3	0	0	110.8	V481	V481-E483 HydrophobicContact CG1-CG 3.91Å
484	H	32.5	Very low	32.2	Very low	179 Å²	179	141.6 Å²	141.6	83%	0.829	79%	0.792	S	S	*	*			trans	69.4	138.6	173.2	-52.8	-66.9	0	0	0	116.2
485	A	35	Very low	32.1	Very low	102 Å²	102	141.6 Å²	141.6	84%	0.843	79%	0.792	S	S	*	*			cis	-151	159.5	-10.5	0	0	0	0	0	110.4
486	G	33.2	Very low	32.3	Very low	78 Å²	78	142.1 Å²	142.1	80%	0.804	79%	0.794	S	S	*	*			trans	158	91.2	176.9	0	0	0	0	0	112.2
487	S	33.1	Very low	32.3	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	78%	0.782	S	S	*	*			trans	-74.3	139.1	-179	-52.8	0	0	0	0	112.3
488	L	35.4	Very low	32.5	Very low	151 Å²	151	134.2 Å²	134.2	79%	0.791	78%	0.782	S	S	*	*				-179.1	119.2	119.3	-93.9	163.4	0	0	0	111.5
489	E	32.8	Very low	32.6	Very low	187 Å²	187	141.7 Å²	141.7	87%	0.874	79%	0.791	S	S	*	*			trans	48.9	125.2	151	-60.7	-176.7	174.2	0	0	122.1
490	A	31.1	Very low	32.8	Very low	91 Å²	91	140.4 Å²	140.4	75%	0.752	78%	0.783	S	S	*	*			trans	-140.8	134.4	169.6	0	0	0	0	0	111.4	Q492	A490-Q492 PolarHBondContact O-N 2.87Å
491	P	36.4	Very low	33	Very low	133 Å²	133	142.2 Å²	142.2	86%	0.864	79%	0.789	S	S	*	*			trans	-81.6	105.5	179.6	-12.9	29.5	0	0	0	113.7
492	Q	36.9	Very low	33.3	Very low	180 Å²	180	148.1 Å²	148.1	84%	0.841	80%	0.798	S	S	*	*			trans	39.2	93.8	137.6	-60.6	-178.6	1.3	0	0	119.4	A490	A490-Q492 PolarHBondContact O-N 2.87Å
493	S	32.4	Very low	33.7	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	80%	0.795	S	S	*	*				29.7	124.5	128.8	59	0	0	0	0	121.4
494	Y	34.1	Very low	34.3	Very low	161 Å²	161	144 Å²	144	63%	0.631	79%	0.793	S	S	*	*			trans	-110.3	121.9	131.5	58	-89.6	0	0	0	109.1	Q596	Y494-Q596 PolarHBondContact OH-NE2 2.9Å
495	T	31.4	Very low	34.4	Very low	132 Å²	132	143.7 Å²	143.7	81%	0.81	80%	0.797	S	S	*	*			trans	-102.3	114.2	-178.7	36.9	0	0	0	0	110.7
496	T	35.9	Very low	34.6	Very low	122 Å²	122	142.3 Å²	142.3	75%	0.748	78%	0.781	S	S	*	*			trans	-116.1	103.8	171.1	56.4	0	0	0	0	110.4
497	D	29	Very low	35.1	Very low	127 Å²	127	145 Å²	145	68%	0.679	78%	0.782	S	S	*	*			trans	5.2	102.1	175.7	-82.9	-63.8	0	0	0	119.2	R499	D497-R499 HydrophobicContact CB-CB 4.36Å; D497-R499 PolarHBondContact O-N 3.08Å; D497-R499 WeakPolarHBondContact OD1-CB 3.35Å; D497-R499 VanDerWaalsContact OD1-CD 3.31Å; D497-R499 WeakPolarHBondContact OD1-CD 3.38Å; D497-R499 WeakPolarHBondContact OD1-CG 3.2Å
498	T	35.3	Very low	35.3	Very low	149 Å²	149	151.2 Å²	151.2	91%	0.914	79%	0.788	S	S	*	*			trans	-83.5	39.9	152.1	48.2	0	0	0	0	111.7
499	R	32.6	Very low	35.3	Very low	219 Å²	219	148.8 Å²	148.8	83%	0.826	79%	0.789	S	S	*	*			trans	-109.3	64.5	179.4	-73.1	-173	168.1	173.3	-4.1	113.1	D497	D497-R499 HydrophobicContact CB-CB 4.36Å; D497-R499 PolarHBondContact O-N 3.08Å; D497-R499 WeakPolarHBondContact OD1-CB 3.35Å; D497-R499 VanDerWaalsContact OD1-CD 3.31Å; D497-R499 WeakPolarHBondContact OD1-CD 3.38Å; D497-R499 WeakPolarHBondContact OD1-CG 3.2Å
500	S	33.4	Very low	35.8	Very low	106 Å²	106	146.7 Å²	146.7	74%	0.741	78%	0.784	S	S	*	*	S	Bend	trans	178.2	64.9	144.7	-166.6	0	0	0	0	112.3
501	F	34	Very low	36.5	Very low	204 Å²	204	148.5 Å²	148.5	90%	0.895	79%	0.791	S	S	*	*			trans	-139	49.7	160.5	-89.1	-73.1	0	0	0	110.7
502	R	34.4	Very low	37.5	Very low	242 Å²	242	150.6 Å²	150.6	91%	0.913	79%	0.787	S	S	*	*			trans	-96.6	97.6	160.7	-78.3	-175.8	173.5	176.6	-3	108.4
503	S	40.4	Very low	38.4	Very low	105 Å²	105	146 Å²	146	73%	0.734	77%	0.771	S	S	*	*			trans	-124.1	61.2	168.5	64.9	0	0	0	0	110.6	D505	S503-D505 PolarHBondContact O-N 2.97Å
504	H	41.2	Very low	40.6	Very low	140 Å²	140	151.6 Å²	151.6	65%	0.648	78%	0.777	S	S	*	*			trans	40.9	77.3	154.6	-68.9	-89.6	0	0	0	117.3	S506	H504-S506 PolarHBondContact ND1-O 2.79Å; H504-S506 PolarHBondContact O-N 2.81Å; H504-S506 VanDerWaalsContact O-N 3.08Å
505	D	33.3	Very low	42.7	Very low	172 Å²	172	147.5 Å²	147.5	92%	0.92	76%	0.761	S	S	*	*	S	Bend	trans	-76.4	71.6	139.9	-168.9	7.8	0	0	0	108.4	S503	S503-D505 PolarHBondContact O-N 2.97Å
506	S	41.1	Very low	45.3	Very low	72 Å²	72	145.7 Å²	145.7	50%	0.503	74%	0.744	S	S	.	*			trans	170.8	94.1	177.9	31.4	0	0	0	0	110	H504	H504-S506 PolarHBondContact ND1-O 2.79Å; H504-S506 PolarHBondContact O-N 2.81Å; H504-S506 VanDerWaalsContact O-N 3.08Å
507	T	41.9	Very low	47.7	Very low	135 Å²	135	139.9 Å²	139.9	83%	0.828	71%	0.708	S	S	*	*				178.9	123.4	122	35.4	0	0	0	0	110.4
508	R	37.1	Very low	50.4	Low	249 Å²	249	140.5 Å²	140.5	94%	0.94	71%	0.711	S	S	*	*	S	Bend	trans	-52	134.4	166.5	-177.8	175.5	179.6	163.2	-3.3	111.1
509	A	36	Very low	52.6	Low	100 Å²	100	140.8 Å²	140.8	83%	0.826	70%	0.696	S	S	*	*			trans	60.7	96.4	169.7	0	0	0	0	0	118.6
510	N	44.3	Very low	55.1	Low	144 Å²	144	132.3 Å²	132.3	77%	0.77	67%	0.669	S	S	*	*			trans	-144.2	119.4	144.8	-164.7	-49.1	0	0	0	109.4	K512	N510-K512 PolarHBondContact O-N 2.82Å
511	S	45.8	Very low	57.6	Low	128 Å²	128	132.5 Å²	132.5	90%	0.895	66%	0.662	S	S	*	*			trans	-80.7	41.5	-169.5	49.2	0	0	0	0	113.8
512	K	56.9	Low	59.9	Low	178 Å²	178	128.4 Å²	128.4	77%	0.774	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-82.3	122.5	-177.3	-149.1	157	-169.5	165.5	0	110.9	N510 R514	N510-K512 PolarHBondContact O-N 2.82Å; K512-R514 PolarHBondContact O-N 2.84Å
513	T	55.8	Low	62.4	Low	83 Å²	83	120.6 Å²	120.6	51%	0.509	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-46.7	117.6	-170.9	36.5	0	0	0	0	113.7	Y515	T513-Y515 VanDerWaalsContact O-CD2 3.22Å; T513-Y515 WeakPolarHBondContact O-CD2 3.36Å; T513-Y515 WeakPolarHBondContact O-CE2 3.15Å; T513-Y515 WeakPolarHBondContact OG1-CE2 3.43Å; T513-Y515 VanDerWaalsContact OG1-CZ 3.26Å; T513-Y515 PolarHBondContact OG1-OH 3.04Å
514	R	77.9	Confident	64.5	Low	216 Å²	216	117.8 Å²	117.8	82%	0.815	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-79.5	129.9	165.3	-76.1	178.5	178.5	179.7	-0.5	108.2	K512 V523	K512-R514 PolarHBondContact O-N 2.84Å; R514-V523 HydrophobicContact CB-CG1 3.69Å; R514-V523 HydrophobicContact CG-CG1 4.03Å
515	Y	79.7	Confident	66.7	Low	74 Å²	74	114.3 Å²	114.3	29%	0.29	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107	109.5	-176.6	-67.9	-80.1	0	0	0	109.7	T513 F524 L527	T513-Y515 VanDerWaalsContact O-CD2 3.22Å; T513-Y515 WeakPolarHBondContact O-CD2 3.36Å; T513-Y515 WeakPolarHBondContact O-CE2 3.15Å; T513-Y515 WeakPolarHBondContact OG1-CE2 3.43Å; T513-Y515 VanDerWaalsContact OG1-CZ 3.26Å; T513-Y515 PolarHBondContact OG1-OH 3.04Å; Y515-F524 PolarHBondContact N-O 3.19Å; Y515-F524 PolarHBondContact O-N 3.26Å; Y515-L527 HydrophobicContact CD1-CB 4.04Å; Y515-L527 HydrophobicContact CD1-CD1 3.75Å; Y515-L527 HydrophobicContact CD1-CG 4.4Å; Y515-L527 HydrophobicContact CD2-CB 4.06Å; Y515-L527 VanDerWaalsContact CD2-N 3.32Å; Y515-L527 HydrophobicContact CE1-CB 3.88Å; Y515-L527 HydrophobicContact CE1-CD1 3.99Å; Y515-L527 HydrophobicContact CE1-CD2 4.3Å; Y515-L527 HydrophobicContact CE1-CG 4.27Å; Y515-L527 HydrophobicContact CE2-CB 3.9Å; Y515-L527 HydrophobicContact CG-CB 4.12Å; Y515-L527 HydrophobicContact CG-CD1 4.34Å
516	E	84.9	Confident	69.2	Low	95 Å²	95	111.3 Å²	111.3	44%	0.444	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.8	158.7	-179.1	-167	160.9	169.4	0	0	112	N521 K522 V523 L530	E516-N521 VanDerWaalsContact OE1-CA 3.31Å; E516-N521 WeakPolarHBondContact OE1-CA 3.27Å; E516-N521 VanDerWaalsContact OE1-CB 3.23Å; E516-N521 WeakPolarHBondContact OE1-CB 3.43Å; E516-K522 CarbonylContact C-O 3.2Å; E516-K522 WeakPolarHBondContact CA-O 3.23Å; E516-V523 HydrophobicContact CB-CG2 4.33Å; E516-V523 HydrophobicContact CG-CG2 4.06Å; E516-L530 WeakPolarHBondContact O-CD1 3.3Å; E516-L530 WeakPolarHBondContact O-CD2 3.4Å
517	C	86.7	Confident	71.4	Confident	0 Å²	0	111.2 Å²	111.2	0%	0	57%	0.573	C	S	.	*			trans	-106.2	110.8	175.7	173.9	0	0	0	0	111	R519 C520 N521 K522 F524 L530 H533 M534 H537	C517-R519 PolarHBondContact O-N 2.87Å; C517-C520 PolarHBondContact O-N 2.89Å; C517-N521 WeakPolarHBondContact O-CA 3.5Å; C517-N521 PolarHBondContact O-N 3.36Å; C517-K522 PolarHBondContact N-O 2.84Å; C517-F524 HydrophobicContact CB-CE2 4.42Å; C517-L530 HydrophobicContact CB-CD1 3.69Å; C517-H533 PolarHBondContact SG-NE2 3.13Å; C517-H533 VanDerWaalsContact SG-NE2 3.35Å; C517-M534 HydrophobicContact CB-SD 4.25Å; C517-M534 PolarHBondContact SG-SD 3.41Å; C517-H537 VanDerWaalsContact SG-CD2 3.53Å; C517-H537 PolarHBondContact SG-NE2 3.23Å
518	D	84.8	Confident	73.5	Confident	140 Å²	140	107.6 Å²	107.6	75%	0.749	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-10	-178	-29.9	-51.4	0	0	0	115.1
519	R	82.5	Confident	75.9	Confident	155 Å²	155	99.6 Å²	99.6	59%	0.585	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-9.6	-179.2	-68.7	-175.9	176.4	-161.4	2.2	115	C517 H537	C517-R519 PolarHBondContact O-N 2.87Å; R519-H537 PolarHBondContact NH1-O 3.45Å; R519-H537 PolarHBondContact O-CE1 3.23Å
520	C	85.5	Confident	78.4	Confident	40 Å²	40	95.8 Å²	95.8	27%	0.27	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.9	17.8	173.1	71.3	0	0	0	0	115.2	C517 K522 H533 H537	C517-C520 PolarHBondContact O-N 2.89Å; C520-K522 PolarHBondContact O-N 3.29Å; C520-H533 PolarHBondContact SG-NE2 3.15Å; C520-H537 WeakPolarHBondContact CB-CE1 3.41Å; C520-H537 WeakPolarHBondContact CB-NE2 3.4Å; C520-H537 PolarHBondContact SG-CE1 2.96Å; C520-H537 PolarHBondContact SG-NE2 3.3Å
521	N	84.6	Confident	80.4	Confident	110 Å²	110	95.3 Å²	95.3	59%	0.588	49%	0.486	S	S	*	.			trans	53.3	31.8	171.7	-56.2	11.6	0	0	0	113.8	E516 C517	E516-N521 VanDerWaalsContact OE1-CA 3.31Å; E516-N521 WeakPolarHBondContact OE1-CA 3.27Å; E516-N521 VanDerWaalsContact OE1-CB 3.23Å; E516-N521 WeakPolarHBondContact OE1-CB 3.43Å; C517-N521 WeakPolarHBondContact O-CA 3.5Å; C517-N521 PolarHBondContact O-N 3.36Å
522	K	82.8	Confident	82.3	Confident	118 Å²	118	91.2 Å²	91.2	51%	0.513	46%	0.456	S	S	.	.			trans	-88.7	126.7	176.7	-75.2	-179.9	-172.3	171.4	0	109.7	E516 C517 C520 F524	E516-K522 CarbonylContact C-O 3.2Å; E516-K522 WeakPolarHBondContact CA-O 3.23Å; C517-K522 PolarHBondContact N-O 2.84Å; C520-K522 PolarHBondContact O-N 3.29Å; K522-F524 HydrophobicContact CB-CE2 3.66Å; K522-F524 HydrophobicContact CB-CZ 3.94Å; K522-F524 VanDerWaalsContact O-CD2 3.29Å; K522-F524 WeakPolarHBondContact O-CD2 3.08Å; K522-F524 WeakPolarHBondContact O-CE2 3.43Å
523	V	86.4	Confident	83.7	Confident	79 Å²	79	83.9 Å²	83.9	48%	0.479	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.4	-175.3	-177.4	0	0	0	0	110.8	R514 E516	R514-V523 HydrophobicContact CB-CG1 3.69Å; R514-V523 HydrophobicContact CG-CG1 4.03Å; E516-V523 HydrophobicContact CB-CG2 4.33Å; E516-V523 HydrophobicContact CG-CG2 4.06Å
524	F	85.9	Confident	85.1	Confident	46 Å²	46	82.1 Å²	82.1	20%	0.202	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.9	-179.1	-60.1	-91.3	0	0	0	110.6	Y515 C517 K522 Q526 N529 L530 H533	Y515-F524 PolarHBondContact N-O 3.19Å; Y515-F524 PolarHBondContact O-N 3.26Å; C517-F524 HydrophobicContact CB-CE2 4.42Å; K522-F524 HydrophobicContact CB-CE2 3.66Å; K522-F524 HydrophobicContact CB-CZ 3.94Å; K522-F524 VanDerWaalsContact O-CD2 3.29Å; K522-F524 WeakPolarHBondContact O-CD2 3.08Å; K522-F524 WeakPolarHBondContact O-CE2 3.43Å; F524-Q526 PolarHBondContact O-N 2.73Å; F524-N529 HydrophobicContact CB-CB 4.29Å; F524-N529 HydrophobicContact CD1-CB 3.92Å; F524-N529 HydrophobicContact CG-CB 4.41Å; F524-L530 HydrophobicContact CB-CB 4.37Å; F524-L530 HydrophobicContact CD2-CB 4.14Å; F524-L530 HydrophobicContact CD2-CD1 3.94Å; F524-L530 HydrophobicContact CE2-CD1 4.16Å; F524-L530 HydrophobicContact CG-CB 4.39Å; F524-H533 HydrophobicContact CE1-CB 4.05Å; F524-H533 HydrophobicContact CE2-CB 4.07Å; F524-H533 AromaticContact CE2-CD2 3.22Å; F524-H533 WeakPolarHBondContact CE2-CD2 3.38Å; F524-H533 AromaticContact CE2-CG 3.82Å; F524-H533 HydrophobicContact CZ-CB 3.59Å; F524-H533 AromaticContact CZ-CD2 3.27Å; F524-H533 WeakPolarHBondContact CZ-CD2 3.13Å; F524-H533 AromaticContact CZ-CG 3.42Å; F524-H533 VanDerWaalsContact CZ-CG 3.42Å
525	G	86.1	Confident	85.6	Confident	67 Å²	67	74.8 Å²	74.8	69%	0.691	38%	0.383	S	S	*	.	S	Bend	trans	-74.2	3.1	175.6	0	0	0	0	0	115.1
526	Q	86.4	Confident	85.8	Confident	109 Å²	109	75.6 Å²	75.6	51%	0.509	40%	0.396	S	S	.	.	S	Bend	trans	-151.1	136.9	178.7	-61.1	-178	-13.2	0	0	110.9	F524 S528 N529 L530	F524-Q526 PolarHBondContact O-N 2.73Å; Q526-S528 VanDerWaalsContact C-N 3.25Å; Q526-S528 WeakPolarHBondContact CB-OG 3.48Å; Q526-S528 PolarHBondContact O-N 3.28Å; Q526-S528 PolarHBondContact OE1-OG 2.96Å; Q526-N529 PolarHBondContact O-N 2.97Å; Q526-N529 VanDerWaalsContact O-N 3.12Å; Q526-N529 PolarHBondContact OE1-ND2 2.84Å; Q526-L530 PolarHBondContact O-N 3.18Å
527	L	87	Confident	85.8	Confident	69 Å²	69	74.3 Å²	74.3	36%	0.361	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-30.2	176.9	-179.1	59.4	0	0	0	113.2	Y515 N529 L530 K531	Y515-L527 HydrophobicContact CD1-CB 4.04Å; Y515-L527 HydrophobicContact CD1-CD1 3.75Å; Y515-L527 HydrophobicContact CD1-CG 4.4Å; Y515-L527 HydrophobicContact CD2-CB 4.06Å; Y515-L527 VanDerWaalsContact CD2-N 3.32Å; Y515-L527 HydrophobicContact CE1-CB 3.88Å; Y515-L527 HydrophobicContact CE1-CD1 3.99Å; Y515-L527 HydrophobicContact CE1-CD2 4.3Å; Y515-L527 HydrophobicContact CE1-CG 4.27Å; Y515-L527 HydrophobicContact CE2-CB 3.9Å; Y515-L527 HydrophobicContact CG-CB 4.12Å; Y515-L527 HydrophobicContact CG-CD1 4.34Å; L527-N529 VanDerWaalsContact C-N 3.34Å; L527-L530 HydrophobicContact CD1-CD2 4.24Å; L527-L530 PolarHBondContact O-N 3.19Å; L527-K531 HydrophobicContact CD1-CG 4.36Å; L527-K531 HydrophobicContact CG-CD 4.47Å; L527-K531 HydrophobicContact CG-CG 4.48Å; L527-K531 WeakPolarHBondContact O-CB 3.44Å; L527-K531 WeakPolarHBondContact O-CG 3.16Å; L527-K531 PolarHBondContact O-N 2.95Å
528	S	86	Confident	85.6	Confident	60 Å²	60	77.6 Å²	77.6	42%	0.42	41%	0.41	S	S	.	.	H	α-helix	trans	-57	-46.8	172	46.7	0	0	0	0	111.8	Q526 K531 V532	Q526-S528 VanDerWaalsContact C-N 3.25Å; Q526-S528 WeakPolarHBondContact CB-OG 3.48Å; Q526-S528 PolarHBondContact O-N 3.28Å; Q526-S528 PolarHBondContact OE1-OG 2.96Å; S528-K531 PolarHBondContact O-N 2.79Å; S528-V532 WeakPolarHBondContact O-CG2 3.25Å; S528-V532 PolarHBondContact O-N 2.72Å
529	N	87.4	Confident	85.5	Confident	80 Å²	80	73.3 Å²	73.3	43%	0.428	40%	0.399	S	S	.	.	H	α-helix	trans	-70.8	-37.4	-179.8	-65.4	-29.1	0	0	0	111.4	F524 Q526 L527 V532 H533	F524-N529 HydrophobicContact CB-CB 4.29Å; F524-N529 HydrophobicContact CD1-CB 3.92Å; F524-N529 HydrophobicContact CG-CB 4.41Å; Q526-N529 PolarHBondContact O-N 2.97Å; Q526-N529 VanDerWaalsContact O-N 3.12Å; Q526-N529 PolarHBondContact OE1-ND2 2.84Å; L527-N529 VanDerWaalsContact C-N 3.34Å; N529-V532 PolarHBondContact O-N 2.74Å; N529-H533 WeakPolarHBondContact O-CB 3.29Å; N529-H533 PolarHBondContact O-N 2.79Å
530	L	88.3	Confident	85.5	Confident	20 Å²	20	70.6 Å²	70.6	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-60.1	-52.2	169.4	176	61.8	0	0	0	111	E516 C517 F524 Q526 L527 V532 H533 M534	E516-L530 WeakPolarHBondContact O-CD1 3.3Å; E516-L530 WeakPolarHBondContact O-CD2 3.4Å; C517-L530 HydrophobicContact CB-CD1 3.69Å; F524-L530 HydrophobicContact CB-CB 4.37Å; F524-L530 HydrophobicContact CD2-CB 4.14Å; F524-L530 HydrophobicContact CD2-CD1 3.94Å; F524-L530 HydrophobicContact CE2-CD1 4.16Å; F524-L530 HydrophobicContact CG-CB 4.39Å; Q526-L530 PolarHBondContact O-N 3.18Å; L527-L530 HydrophobicContact CD1-CD2 4.24Å; L527-L530 PolarHBondContact O-N 3.19Å; L530-V532 VanDerWaalsContact C-N 3.29Å; L530-V532 PolarHBondContact O-N 3.01Å; L530-H533 CarbonylContact O-C 3.54Å; L530-H533 WeakPolarHBondContact O-CA 3.47Å; L530-H533 WeakPolarHBondContact O-CB 3.36Å; L530-H533 PolarHBondContact O-N 3.27Å; L530-M534 HydrophobicContact CD1-CG 4.04Å; L530-M534 HydrophobicContact CD1-SD 3.92Å; L530-M534 HydrophobicContact CG-CG 4.22Å; L530-M534 WeakPolarHBondContact O-CG 3.33Å; L530-M534 PolarHBondContact O-N 3.37Å
531	K	86.2	Confident	85.5	Confident	134 Å²	134	75.4 Å²	75.4	58%	0.583	41%	0.405	S	S	*	.	H	α-helix	trans	-57.2	-40.8	179.4	-75.6	-176.1	177	-172	0	112.5	L527 S528 H533 M534	L527-K531 HydrophobicContact CD1-CG 4.36Å; L527-K531 HydrophobicContact CG-CD 4.47Å; L527-K531 HydrophobicContact CG-CG 4.48Å; L527-K531 WeakPolarHBondContact O-CB 3.44Å; L527-K531 WeakPolarHBondContact O-CG 3.16Å; L527-K531 PolarHBondContact O-N 2.95Å; S528-K531 PolarHBondContact O-N 2.79Å; K531-H533 VanDerWaalsContact C-N 3.33Å; K531-M534 PolarHBondContact O-N 3.17Å
532	V	85.4	Confident	85.5	Confident	42 Å²	42	73.7 Å²	73.7	26%	0.255	40%	0.4	S	S	.	.	H	α-helix	trans	-68.8	-30.8	175.3	170	0	0	0	0	112.2	S528 N529 L530 Q554	S528-V532 WeakPolarHBondContact O-CG2 3.25Å; S528-V532 PolarHBondContact O-N 2.72Å; N529-V532 PolarHBondContact O-N 2.74Å; L530-V532 VanDerWaalsContact C-N 3.29Å; L530-V532 PolarHBondContact O-N 3.01Å; V532-Q554 HydrophobicContact CG1-CG 3.76Å
533	H	87.5	Confident	85.7	Confident	25 Å²	25	70.8 Å²	70.8	12%	0.116	39%	0.388	C	S	.	.	H	α-helix	trans	-74	-37.6	171.5	170	46.3	0	0	0	113	C517 C520 F524 N529 L530 K531 R535 T536 H537	C517-H533 PolarHBondContact SG-NE2 3.13Å; C517-H533 VanDerWaalsContact SG-NE2 3.35Å; C520-H533 PolarHBondContact SG-NE2 3.15Å; F524-H533 HydrophobicContact CE1-CB 4.05Å; F524-H533 HydrophobicContact CE2-CB 4.07Å; F524-H533 AromaticContact CE2-CD2 3.22Å; F524-H533 WeakPolarHBondContact CE2-CD2 3.38Å; F524-H533 AromaticContact CE2-CG 3.82Å; F524-H533 HydrophobicContact CZ-CB 3.59Å; F524-H533 AromaticContact CZ-CD2 3.27Å; F524-H533 WeakPolarHBondContact CZ-CD2 3.13Å; F524-H533 AromaticContact CZ-CG 3.42Å; F524-H533 VanDerWaalsContact CZ-CG 3.42Å; N529-H533 WeakPolarHBondContact O-CB 3.29Å; N529-H533 PolarHBondContact O-N 2.79Å; L530-H533 CarbonylContact O-C 3.54Å; L530-H533 WeakPolarHBondContact O-CA 3.47Å; L530-H533 WeakPolarHBondContact O-CB 3.36Å; L530-H533 PolarHBondContact O-N 3.27Å; K531-H533 VanDerWaalsContact C-N 3.33Å; H533-R535 PolarHBondContact O-N 2.8Å; H533-R535 VanDerWaalsContact O-N 3.1Å; H533-T536 PolarHBondContact CE1-OG1 2.94Å; H533-T536 PolarHBondContact ND1-OG1 3.46Å; H533-T536 VanDerWaalsContact ND1-OG1 3.07Å; H533-T536 WeakPolarHBondContact O-CB 3.34Å; H533-T536 PolarHBondContact O-N 3.09Å; H533-T536 PolarHBondContact O-OG1 3Å; H533-H537 AromaticContact CD2-NE2 3.82Å; H533-H537 AromaticContact CE1-CD2 3.69Å; H533-H537 AromaticContact CE1-NE2 2.91Å; H533-H537 PolarHBondContact CE1-NE2 3.09Å; H533-H537 AromaticContact NE2-CD2 3.77Å; H533-H537 AromaticContact NE2-NE2 2.66Å; H533-H537 PolarHBondContact NE2-NE2 3.33Å
534	M	85.8	Confident	85.6	Confident	46 Å²	46	73 Å²	73	23%	0.227	39%	0.391	C	S	.	.	H	α-helix	trans	-57.7	-29.7	178.5	-66.9	-54.8	-84	0	0	112.3	C517 L530 K531 T536 H537 T538	C517-M534 HydrophobicContact CB-SD 4.25Å; C517-M534 PolarHBondContact SG-SD 3.41Å; L530-M534 HydrophobicContact CD1-CG 4.04Å; L530-M534 HydrophobicContact CD1-SD 3.92Å; L530-M534 HydrophobicContact CG-CG 4.22Å; L530-M534 WeakPolarHBondContact O-CG 3.33Å; L530-M534 PolarHBondContact O-N 3.37Å; K531-M534 PolarHBondContact O-N 3.17Å; M534-T536 PolarHBondContact O-N 2.81Å; M534-H537 CarbonylContact O-C 3.56Å; M534-H537 WeakPolarHBondContact O-CA 3.3Å; M534-H537 WeakPolarHBondContact O-CB 3.46Å; M534-H537 PolarHBondContact O-N 3.47Å; M534-T538 PolarHBondContact O-N 2.86Å; M534-T538 PolarHBondContact O-OG1 3.39Å
535	R	86.9	Confident	85.7	Confident	61 Å²	61	70.9 Å²	70.9	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-58	-24.5	170.4	-63.1	-172.5	-179.8	143.3	7.2	114.7	H533 H537 G539 E540 T553	H533-R535 PolarHBondContact O-N 2.8Å; H533-R535 VanDerWaalsContact O-N 3.1Å; R535-H537 PolarHBondContact O-N 2.95Å; R535-G539 WeakPolarHBondContact O-CA 3.43Å; R535-G539 PolarHBondContact O-N 2.77Å; R535-G539 VanDerWaalsContact O-N 3.08Å; R535-E540 HydrophobicContact CB-CB 4.24Å; R535-E540 HydrophobicContact CG-CB 3.97Å; R535-E540 IonicContact NE-OE2 2.75Å; R535-T553 HydrophobicContact CB-CG2 4.19Å; R535-T553 PolarHBondContact NH1-O 2.84Å
536	T	84.2	Confident	85.6	Confident	92 Å²	92	73.2 Å²	73.2	56%	0.564	39%	0.387	S	S	*	.	H	α-helix	trans	-75.7	-13.7	172.9	70.6	0	0	0	0	113	H533 M534	H533-T536 PolarHBondContact CE1-OG1 2.94Å; H533-T536 PolarHBondContact ND1-OG1 3.46Å; H533-T536 VanDerWaalsContact ND1-OG1 3.07Å; H533-T536 WeakPolarHBondContact O-CB 3.34Å; H533-T536 PolarHBondContact O-N 3.09Å; H533-T536 PolarHBondContact O-OG1 3Å; M534-T536 PolarHBondContact O-N 2.81Å
537	H	85	Confident	85.3	Confident	67 Å²	67	71.1 Å²	71.1	31%	0.31	39%	0.389	S	S	.	.	H	α-helix	trans	-106.2	-30.8	176.3	-68.2	-70.9	0	0	0	113.6	C517 R519 C520 H533 M534 R535	C517-H537 VanDerWaalsContact SG-CD2 3.53Å; C517-H537 PolarHBondContact SG-NE2 3.23Å; R519-H537 PolarHBondContact NH1-O 3.45Å; R519-H537 PolarHBondContact O-CE1 3.23Å; C520-H537 WeakPolarHBondContact CB-CE1 3.41Å; C520-H537 WeakPolarHBondContact CB-NE2 3.4Å; C520-H537 PolarHBondContact SG-CE1 2.96Å; C520-H537 PolarHBondContact SG-NE2 3.3Å; H533-H537 AromaticContact CD2-NE2 3.82Å; H533-H537 AromaticContact CE1-CD2 3.69Å; H533-H537 AromaticContact CE1-NE2 2.91Å; H533-H537 PolarHBondContact CE1-NE2 3.09Å; H533-H537 AromaticContact NE2-CD2 3.77Å; H533-H537 AromaticContact NE2-NE2 2.66Å; H533-H537 PolarHBondContact NE2-NE2 3.33Å; M534-H537 CarbonylContact O-C 3.56Å; M534-H537 WeakPolarHBondContact O-CA 3.3Å; M534-H537 WeakPolarHBondContact O-CB 3.46Å; M534-H537 PolarHBondContact O-N 3.47Å; R535-H537 PolarHBondContact O-N 2.95Å
538	T	83.4	Confident	85.2	Confident	69 Å²	69	70.1 Å²	70.1	42%	0.423	39%	0.387	S	S	.	.	H	α-helix	trans	-85.1	-17.2	173.9	60.8	0	0	0	0	112.9	M534 E540	M534-T538 PolarHBondContact O-N 2.86Å; M534-T538 PolarHBondContact O-OG1 3.39Å; T538-E540 VanDerWaalsContact CB-OE1 3.3Å; T538-E540 WeakPolarHBondContact CB-OE1 3.26Å; T538-E540 PolarHBondContact O-N 2.83Å; T538-E540 VanDerWaalsContact OG1-CD 3.24Å; T538-E540 WeakPolarHBondContact OG1-CG 3.48Å; T538-E540 PolarHBondContact OG1-OE1 2.96Å
539	G	82.3	Confident	85.1	Confident	50 Å²	50	69 Å²	69	52%	0.515	38%	0.384	S	S	.	.			trans	80.7	-5.5	-175.6	0	0	0	0	0	114.2	R535 R541	R535-G539 WeakPolarHBondContact O-CA 3.43Å; R535-G539 PolarHBondContact O-N 2.77Å; R535-G539 VanDerWaalsContact O-N 3.08Å; G539-R541 WeakPolarHBondContact O-CG 3.43Å; G539-R541 PolarHBondContact O-N 3.19Å
540	E	82.1	Confident	84.9	Confident	99 Å²	99	70.9 Å²	70.9	46%	0.463	39%	0.389	S	S	.	.			trans	-52.1	124.9	-179.5	-80.2	165.3	-117.5	0	0	113.3	R535 T538	R535-E540 HydrophobicContact CB-CB 4.24Å; R535-E540 HydrophobicContact CG-CB 3.97Å; R535-E540 IonicContact NE-OE2 2.75Å; T538-E540 VanDerWaalsContact CB-OE1 3.3Å; T538-E540 WeakPolarHBondContact CB-OE1 3.26Å; T538-E540 PolarHBondContact O-N 2.83Å; T538-E540 VanDerWaalsContact OG1-CD 3.24Å; T538-E540 WeakPolarHBondContact OG1-CG 3.48Å; T538-E540 PolarHBondContact OG1-OE1 2.96Å
541	R	84.8	Confident	84.9	Confident	141 Å²	141	73.4 Å²	73.4	53%	0.532	40%	0.4	S	S	.	.			trans	-131.2	74.2	177.6	-72.9	164.6	158.9	-146.2	-2.2	111.4	G539 F543 E551 F552 T553	G539-R541 WeakPolarHBondContact O-CG 3.43Å; G539-R541 PolarHBondContact O-N 3.19Å; R541-F543 PolarHBondContact O-N 2.97Å; R541-E551 HydrophobicContact CB-CB 3.53Å; R541-E551 WeakPolarHBondContact CD-O 3.5Å; R541-E551 HydrophobicContact CG-CB 4.37Å; R541-E551 PolarHBondContact NH1-O 3.07Å; R541-E551 VanDerWaalsContact NH1-O 3.12Å; R541-F552 CarbonylContact C-O 3.53Å; R541-F552 VanDerWaalsContact CA-O 3.3Å; R541-F552 WeakPolarHBondContact CA-O 3.48Å; R541-T553 HydrophobicContact CG-CG2 4Å
542	P	84.9	Confident	84.8	Confident	74 Å²	74	69.2 Å²	69.2	48%	0.481	38%	0.382	S	S	.	.			trans	-63	-14.8	-171	-23.4	34.9	0	0	0	115.4
543	F	86.7	Confident	84.9	Confident	57 Å²	57	68.7 Å²	68.7	25%	0.25	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	91.8	-171.9	-56.6	-76.7	0	0	0	110.6	R541 F552 L555 L558	R541-F543 PolarHBondContact O-N 2.97Å; F543-F552 HydrophobicContact CB-CB 4.29Å; F543-F552 WeakPolarHBondContact CD2-O 3.41Å; F543-F552 PolarHBondContact N-O 3.5Å; F543-F552 VanDerWaalsContact N-O 3.15Å; F543-F552 WeakPolarHBondContact O-CD2 3.44Å; F543-F552 PolarHBondContact O-N 2.77Å; F543-L555 HydrophobicContact CD1-CB 3.88Å; F543-L555 HydrophobicContact CD1-CD1 3.82Å; F543-L555 HydrophobicContact CD1-CG 4.43Å; F543-L555 HydrophobicContact CE1-CB 3.72Å; F543-L555 HydrophobicContact CE1-CD1 4.16Å; F543-L555 HydrophobicContact CE1-CG 4.41Å; F543-L555 HydrophobicContact CG-CB 4.35Å; F543-L555 HydrophobicContact CZ-CB 4.06Å; F543-L558 HydrophobicContact CB-CB 4.07Å; F543-L558 HydrophobicContact CB-CD2 3.89Å
544	K	85.3	Confident	84.9	Confident	125 Å²	125	70.8 Å²	70.8	54%	0.543	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136	179.7	-168.7	159.5	-166	149.5	0	111.9	G549 E551	K544-G549 WeakPolarHBondContact CE-O 3.49Å; K544-E551 HydrophobicContact CB-CG 4.19Å; K544-E551 HydrophobicContact CD-CG 4.05Å; K544-E551 WeakPolarHBondContact CD-OE1 3.48Å; K544-E551 VanDerWaalsContact CE-OE1 3.29Å; K544-E551 WeakPolarHBondContact CE-OE1 3.43Å; K544-E551 HydrophobicContact CG-CG 3.89Å; K544-E551 IonicContact NZ-OE1 3.96Å; K544-E551 PolarHBondContact NZ-OE1 3.47Å
545	C	87.1	Confident	84.9	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.014	40%	0.4	C	S	.	.			trans	-82.1	121.2	171.8	-173.4	0	0	0	0	110.2	A547 G549 K550 F552 L558 N562 H565	C545-A547 VanDerWaalsContact C-N 3.31Å; C545-A547 PolarHBondContact O-N 2.98Å; C545-G549 VanDerWaalsContact O-CA 3.24Å; C545-G549 WeakPolarHBondContact O-CA 3.45Å; C545-G549 PolarHBondContact O-N 3Å; C545-K550 WeakPolarHBondContact CB-O 3.34Å; C545-K550 PolarHBondContact N-O 3.26Å; C545-F552 HydrophobicContact CB-CE2 4.44Å; C545-L558 HydrophobicContact CB-CD1 3.57Å; C545-N562 PolarHBondContact SG-OD1 2.77Å; C545-N562 VanDerWaalsContact SG-OD1 3.38Å; C545-H565 VanDerWaalsContact SG-CD2 3.58Å; C545-H565 PolarHBondContact SG-NE2 3.31Å
546	S	84.3	Confident	84.7	Confident	115 Å²	115	72 Å²	72	80%	0.804	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-36.3	176.8	47.5	0	0	0	0	113
547	A	81.5	Confident	84.8	Confident	66 Å²	66	71.5 Å²	71.5	55%	0.545	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.2	-173.3	0	0	0	0	0	115.5	C545 H565	C545-A547 VanDerWaalsContact C-N 3.31Å; C545-A547 PolarHBondContact O-N 2.98Å; A547-H565 HydrophobicContact CB-CB 4.33Å
548	C	83.4	Confident	84.9	Confident	48 Å²	48	69.2 Å²	69.2	32%	0.324	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.1	21.2	174.4	69.9	0	0	0	0	115.2	K550 H561 H565	C548-K550 PolarHBondContact O-N 3.01Å; C548-H561 PolarHBondContact SG-NE2 3.14Å; C548-H561 VanDerWaalsContact SG-NE2 3.36Å; C548-H565 WeakPolarHBondContact CB-CE1 3.2Å; C548-H565 PolarHBondContact SG-CE1 3.18Å; C548-H565 PolarHBondContact SG-NE2 3.29Å
549	G	84.9	Confident	84.9	Confident	35 Å²	35	71.5 Å²	71.5	36%	0.361	39%	0.393	S	S	.	.			trans	66.3	-3.4	175.8	0	0	0	0	0	116.5	K544 C545 E551	K544-G549 WeakPolarHBondContact CE-O 3.49Å; C545-G549 VanDerWaalsContact O-CA 3.24Å; C545-G549 WeakPolarHBondContact O-CA 3.45Å; C545-G549 PolarHBondContact O-N 3Å; G549-E551 WeakPolarHBondContact O-CG 3.5Å
550	K	83.1	Confident	84.9	Confident	120 Å²	120	75 Å²	75	52%	0.522	39%	0.394	S	S	.	.			trans	-68.5	134.3	-175.7	-72.6	175	-169.8	155.7	0	112.1	C545 C548 F552	C545-K550 WeakPolarHBondContact CB-O 3.34Å; C545-K550 PolarHBondContact N-O 3.26Å; C548-K550 PolarHBondContact O-N 3.01Å; K550-F552 HydrophobicContact CB-CE2 3.9Å; K550-F552 HydrophobicContact CB-CZ 4.17Å; K550-F552 WeakPolarHBondContact O-CD2 3.43Å; K550-F552 WeakPolarHBondContact O-CE2 3.4Å
551	E	88.4	Confident	85	Confident	74 Å²	74	71.3 Å²	71.3	35%	0.346	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.7	-169.9	-54.9	177.8	163.7	0	0	111.8	R541 K544 G549	R541-E551 HydrophobicContact CB-CB 3.53Å; R541-E551 WeakPolarHBondContact CD-O 3.5Å; R541-E551 HydrophobicContact CG-CB 4.37Å; R541-E551 PolarHBondContact NH1-O 3.07Å; R541-E551 VanDerWaalsContact NH1-O 3.12Å; K544-E551 HydrophobicContact CB-CG 4.19Å; K544-E551 HydrophobicContact CD-CG 4.05Å; K544-E551 WeakPolarHBondContact CD-OE1 3.48Å; K544-E551 VanDerWaalsContact CE-OE1 3.29Å; K544-E551 WeakPolarHBondContact CE-OE1 3.43Å; K544-E551 HydrophobicContact CG-CG 3.89Å; K544-E551 IonicContact NZ-OE1 3.96Å; K544-E551 PolarHBondContact NZ-OE1 3.47Å; G549-E551 WeakPolarHBondContact O-CG 3.5Å
552	F	84.8	Confident	85	Confident	46 Å²	46	67.5 Å²	67.5	20%	0.202	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.3	-172.7	-60.7	-91.7	0	0	0	112.3	R541 F543 C545 K550 Q554 H557 L558 H561	R541-F552 CarbonylContact C-O 3.53Å; R541-F552 VanDerWaalsContact CA-O 3.3Å; R541-F552 WeakPolarHBondContact CA-O 3.48Å; F543-F552 HydrophobicContact CB-CB 4.29Å; F543-F552 WeakPolarHBondContact CD2-O 3.41Å; F543-F552 PolarHBondContact N-O 3.5Å; F543-F552 VanDerWaalsContact N-O 3.15Å; F543-F552 WeakPolarHBondContact O-CD2 3.44Å; F543-F552 PolarHBondContact O-N 2.77Å; C545-F552 HydrophobicContact CB-CE2 4.44Å; K550-F552 HydrophobicContact CB-CE2 3.9Å; K550-F552 HydrophobicContact CB-CZ 4.17Å; K550-F552 WeakPolarHBondContact O-CD2 3.43Å; K550-F552 WeakPolarHBondContact O-CE2 3.4Å; F552-Q554 VanDerWaalsContact C-N 3.33Å; F552-H557 HydrophobicContact CB-CB 4.21Å; F552-H557 HydrophobicContact CD1-CB 3.81Å; F552-H557 HydrophobicContact CG-CB 4.29Å; F552-L558 HydrophobicContact CB-CB 4.46Å; F552-L558 HydrophobicContact CD2-CB 4.12Å; F552-L558 HydrophobicContact CD2-CD1 4Å; F552-L558 HydrophobicContact CE2-CD1 4.17Å; F552-L558 HydrophobicContact CG-CB 4.43Å; F552-H561 HydrophobicContact CE1-CB 4.08Å; F552-H561 HydrophobicContact CE2-CB 3.98Å; F552-H561 AromaticContact CE2-CD2 3.31Å; F552-H561 WeakPolarHBondContact CE2-CD2 3.25Å; F552-H561 AromaticContact CE2-CG 3.76Å; F552-H561 HydrophobicContact CZ-CB 3.54Å; F552-H561 AromaticContact CZ-CD2 3.37Å; F552-H561 WeakPolarHBondContact CZ-CD2 3.3Å; F552-H561 AromaticContact CZ-CG 3.36Å
553	T	86.2	Confident	84.8	Confident	30 Å²	30	66 Å²	66	18%	0.184	36%	0.355	C	S	.	.	S	Bend	trans	-77.6	-15.3	179.2	56	0	0	0	0	114	R535 R541	R535-T553 HydrophobicContact CB-CG2 4.19Å; R535-T553 PolarHBondContact NH1-O 2.84Å; R541-T553 HydrophobicContact CG-CG2 4Å
554	Q	86.8	Confident	84.4	Confident	70 Å²	70	68 Å²	68	33%	0.327	37%	0.372	S	S	.	.	S	Bend	trans	-144.7	140.6	-175.6	-58.6	176.9	12.6	0	0	111.4	V532 F552 A556 H557 L558	V532-Q554 HydrophobicContact CG1-CG 3.76Å; F552-Q554 VanDerWaalsContact C-N 3.33Å; Q554-A556 VanDerWaalsContact C-N 3.32Å; Q554-A556 PolarHBondContact O-N 3.29Å; Q554-H557 WeakPolarHBondContact O-CB 3.26Å; Q554-H557 PolarHBondContact O-N 3.03Å; Q554-H557 VanDerWaalsContact O-N 3.07Å; Q554-H557 PolarHBondContact OE1-CE1 3.17Å; Q554-H557 VanDerWaalsContact OE1-CE1 3.27Å; Q554-L558 PolarHBondContact O-N 2.88Å
555	L	86.7	Confident	84.2	Confident	88 Å²	88	66.1 Å²	66.1	46%	0.461	37%	0.365	S	S	.	.	H	α-helix	trans	-58.1	-39.8	178.4	-176.3	60.8	0	0	0	113	F543 H557 L558 Q559	F543-L555 HydrophobicContact CD1-CB 3.88Å; F543-L555 HydrophobicContact CD1-CD1 3.82Å; F543-L555 HydrophobicContact CD1-CG 4.43Å; F543-L555 HydrophobicContact CE1-CB 3.72Å; F543-L555 HydrophobicContact CE1-CD1 4.16Å; F543-L555 HydrophobicContact CE1-CG 4.41Å; F543-L555 HydrophobicContact CG-CB 4.35Å; F543-L555 HydrophobicContact CZ-CB 4.06Å; L555-H557 PolarHBondContact O-N 3.02Å; L555-L558 HydrophobicContact CD1-CD2 4.44Å; L555-L558 WeakPolarHBondContact O-CB 3.37Å; L555-L558 PolarHBondContact O-N 3.44Å; L555-Q559 HydrophobicContact CG-CG 4.44Å; L555-Q559 PolarHBondContact O-N 2.68Å
556	A	83.4	Confident	83.7	Confident	43 Å²	43	69.5 Å²	69.5	36%	0.355	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-22.3	178.6	0	0	0	0	0	113.5	Q554 K560	Q554-A556 VanDerWaalsContact C-N 3.32Å; Q554-A556 PolarHBondContact O-N 3.29Å; A556-K560 WeakPolarHBondContact O-CD 3.41Å; A556-K560 VanDerWaalsContact O-CG 3.3Å; A556-K560 WeakPolarHBondContact O-CG 3.37Å; A556-K560 PolarHBondContact O-N 2.59Å
557	H	85.6	Confident	83.2	Confident	82 Å²	82	66.2 Å²	66.2	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-80	-37.7	171.4	-64.3	147.4	0	0	0	111.7	F552 Q554 L555 H561	F552-H557 HydrophobicContact CB-CB 4.21Å; F552-H557 HydrophobicContact CD1-CB 3.81Å; F552-H557 HydrophobicContact CG-CB 4.29Å; Q554-H557 WeakPolarHBondContact O-CB 3.26Å; Q554-H557 PolarHBondContact O-N 3.03Å; Q554-H557 VanDerWaalsContact O-N 3.07Å; Q554-H557 PolarHBondContact OE1-CE1 3.17Å; Q554-H557 VanDerWaalsContact OE1-CE1 3.27Å; L555-H557 PolarHBondContact O-N 3.02Å; H557-H561 WeakPolarHBondContact O-CB 3.23Å; H557-H561 PolarHBondContact O-N 2.74Å
558	L	87.2	Confident	82.8	Confident	19 Å²	19	68.3 Å²	68.3	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-46.2	172.2	175.3	60	0	0	0	111.5	F543 C545 F552 Q554 L555 K560 H561 N562	F543-L558 HydrophobicContact CB-CB 4.07Å; F543-L558 HydrophobicContact CB-CD2 3.89Å; C545-L558 HydrophobicContact CB-CD1 3.57Å; F552-L558 HydrophobicContact CB-CB 4.46Å; F552-L558 HydrophobicContact CD2-CB 4.12Å; F552-L558 HydrophobicContact CD2-CD1 4Å; F552-L558 HydrophobicContact CE2-CD1 4.17Å; F552-L558 HydrophobicContact CG-CB 4.43Å; Q554-L558 PolarHBondContact O-N 2.88Å; L555-L558 HydrophobicContact CD1-CD2 4.44Å; L555-L558 WeakPolarHBondContact O-CB 3.37Å; L555-L558 PolarHBondContact O-N 3.44Å; L558-K560 PolarHBondContact O-N 3.43Å; L558-H561 CarbonylContact O-C 3.54Å; L558-H561 WeakPolarHBondContact O-CA 3.4Å; L558-H561 WeakPolarHBondContact O-CB 3.4Å; L558-H561 PolarHBondContact O-N 3.2Å; L558-N562 WeakPolarHBondContact CD1-OD1 3.5Å; L558-N562 PolarHBondContact O-N 2.59Å; L558-N562 PolarHBondContact O-OD1 2.78Å
559	Q	84.1	Confident	82.6	Confident	118 Å²	118	71.1 Å²	71.1	55%	0.551	38%	0.375	S	S	*	.	H	α-helix	trans	-57.6	-47.4	176.4	-72.8	173.3	-32.7	0	0	112	L555 H561 N562	L555-Q559 HydrophobicContact CG-CG 4.44Å; L555-Q559 PolarHBondContact O-N 2.68Å; Q559-H561 VanDerWaalsContact C-N 3.25Å; Q559-H561 PolarHBondContact O-N 2.96Å; Q559-N562 PolarHBondContact O-N 2.91Å
560	K	81.9	Confident	82.3	Confident	122 Å²	122	72.9 Å²	72.9	53%	0.53	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-25.2	175	-72.4	173.8	-177	174.6	0	113.4	A556 L558	A556-K560 WeakPolarHBondContact O-CD 3.41Å; A556-K560 VanDerWaalsContact O-CG 3.3Å; A556-K560 WeakPolarHBondContact O-CG 3.37Å; A556-K560 PolarHBondContact O-N 2.59Å; L558-K560 PolarHBondContact O-N 3.43Å
561	H	84.7	Confident	82.3	Confident	23 Å²	23	69.9 Å²	69.9	11%	0.106	37%	0.367	C	S	.	.	H	α-helix	trans	-77.4	-36.1	173.4	174	47.1	0	0	0	112.4	C548 F552 H557 L558 Q559 L563 V564 H565	C548-H561 PolarHBondContact SG-NE2 3.14Å; C548-H561 VanDerWaalsContact SG-NE2 3.36Å; F552-H561 HydrophobicContact CE1-CB 4.08Å; F552-H561 HydrophobicContact CE2-CB 3.98Å; F552-H561 AromaticContact CE2-CD2 3.31Å; F552-H561 WeakPolarHBondContact CE2-CD2 3.25Å; F552-H561 AromaticContact CE2-CG 3.76Å; F552-H561 HydrophobicContact CZ-CB 3.54Å; F552-H561 AromaticContact CZ-CD2 3.37Å; F552-H561 WeakPolarHBondContact CZ-CD2 3.3Å; F552-H561 AromaticContact CZ-CG 3.36Å; H557-H561 WeakPolarHBondContact O-CB 3.23Å; H557-H561 PolarHBondContact O-N 2.74Å; L558-H561 CarbonylContact O-C 3.54Å; L558-H561 WeakPolarHBondContact O-CA 3.4Å; L558-H561 WeakPolarHBondContact O-CB 3.4Å; L558-H561 PolarHBondContact O-N 3.2Å; Q559-H561 VanDerWaalsContact C-N 3.25Å; Q559-H561 PolarHBondContact O-N 2.96Å; H561-L563 PolarHBondContact O-N 2.82Å; H561-V564 WeakPolarHBondContact O-CA 3.5Å; H561-V564 WeakPolarHBondContact O-CB 3.27Å; H561-V564 WeakPolarHBondContact O-CG2 3.22Å; H561-V564 PolarHBondContact O-N 3.1Å; H561-H565 AromaticContact CD2-NE2 3.09Å; H561-H565 PolarHBondContact CD2-NE2 3.44Å; H561-H565 AromaticContact CE1-NE2 2.67Å; H561-H565 PolarHBondContact CE1-NE2 2.77Å; H561-H565 AromaticContact CG-NE2 3.91Å; H561-H565 AromaticContact ND1-NE2 3.7Å; H561-H565 AromaticContact NE2-CD2 3.89Å; H561-H565 AromaticContact NE2-NE2 2.14Å; H561-H565 PolarHBondContact NE2-NE2 3.14Å
562	N	83	Confident	81.9	Confident	61 Å²	61	73.3 Å²	73.3	33%	0.326	38%	0.377	S	S	.	.	H	α-helix	trans	-61.8	-30	179.7	-69.8	-5.4	0	0	0	112.5	C545 L558 Q559 V564 H565 T566	C545-N562 PolarHBondContact SG-OD1 2.77Å; C545-N562 VanDerWaalsContact SG-OD1 3.38Å; L558-N562 WeakPolarHBondContact CD1-OD1 3.5Å; L558-N562 PolarHBondContact O-N 2.59Å; L558-N562 PolarHBondContact O-OD1 2.78Å; Q559-N562 PolarHBondContact O-N 2.91Å; N562-V564 PolarHBondContact O-N 2.87Å; N562-V564 VanDerWaalsContact O-N 3.11Å; N562-H565 PolarHBondContact O-N 2.66Å; N562-T566 PolarHBondContact O-N 3.22Å; N562-T566 VanDerWaalsContact O-N 3.1Å
563	L	81.8	Confident	82	Confident	43 Å²	43	71.1 Å²	71.1	23%	0.225	37%	0.368	C	S	.	.	H	α-helix	trans	-58.2	-18.5	169.3	-63	175.1	0	0	0	114.2	H561 G567 E568	H561-L563 PolarHBondContact O-N 2.82Å; L563-G567 CarbonylContact O-C 3.55Å; L563-G567 PolarHBondContact O-N 3.13Å; L563-E568 HydrophobicContact CD2-CB 3.9Å; L563-E568 PolarHBondContact O-N 3.27Å
564	V	79.1	Confident	82	Confident	99 Å²	99	78.2 Å²	78.2	60%	0.6	40%	0.398	S	S	*	.	H	α-helix	trans	-77.1	-29.4	173.5	-174.4	0	0	0	0	111.1	H561 N562	H561-V564 WeakPolarHBondContact O-CA 3.5Å; H561-V564 WeakPolarHBondContact O-CB 3.27Å; H561-V564 WeakPolarHBondContact O-CG2 3.22Å; H561-V564 PolarHBondContact O-N 3.1Å; N562-V564 PolarHBondContact O-N 2.87Å; N562-V564 VanDerWaalsContact O-N 3.11Å
565	H	79.9	Confident	81.8	Confident	85 Å²	85	79.4 Å²	79.4	39%	0.394	41%	0.411	S	S	.	.	H	α-helix	trans	-86.3	-38.7	178.5	-61.9	-61.3	0	0	0	112.6	C545 A547 C548 H561 N562 G567	C545-H565 VanDerWaalsContact SG-CD2 3.58Å; C545-H565 PolarHBondContact SG-NE2 3.31Å; A547-H565 HydrophobicContact CB-CB 4.33Å; C548-H565 WeakPolarHBondContact CB-CE1 3.2Å; C548-H565 PolarHBondContact SG-CE1 3.18Å; C548-H565 PolarHBondContact SG-NE2 3.29Å; H561-H565 AromaticContact CD2-NE2 3.09Å; H561-H565 PolarHBondContact CD2-NE2 3.44Å; H561-H565 AromaticContact CE1-NE2 2.67Å; H561-H565 PolarHBondContact CE1-NE2 2.77Å; H561-H565 AromaticContact CG-NE2 3.91Å; H561-H565 AromaticContact ND1-NE2 3.7Å; H561-H565 AromaticContact NE2-CD2 3.89Å; H561-H565 AromaticContact NE2-NE2 2.14Å; H561-H565 PolarHBondContact NE2-NE2 3.14Å; N562-H565 PolarHBondContact O-N 2.66Å; H565-G567 PolarHBondContact O-N 2.86Å
566	T	76.6	Confident	81.8	Confident	73 Å²	73	77 Å²	77	45%	0.448	40%	0.401	S	S	.	.	S	Bend	trans	-74.7	-11.6	172.7	62.8	0	0	0	0	112.7	N562 E568	N562-T566 PolarHBondContact O-N 3.22Å; N562-T566 VanDerWaalsContact O-N 3.1Å; T566-E568 VanDerWaalsContact CB-OE2 3.26Å; T566-E568 WeakPolarHBondContact CB-OE2 3.3Å; T566-E568 PolarHBondContact O-N 2.97Å; T566-E568 VanDerWaalsContact O-N 3.12Å; T566-E568 WeakPolarHBondContact OG1-CB 3.5Å; T566-E568 VanDerWaalsContact OG1-CG 3.3Å; T566-E568 WeakPolarHBondContact OG1-CG 3.3Å; T566-E568 PolarHBondContact OG1-N 3.13Å; T566-E568 PolarHBondContact OG1-OE2 3.28Å
567	G	75.1	Confident	81.8	Confident	45 Å²	45	79.6 Å²	79.6	46%	0.464	41%	0.408	S	S	.	.			trans	68.5	0.4	-172.7	0	0	0	0	0	114	L563 H565 K569	L563-G567 CarbonylContact O-C 3.55Å; L563-G567 PolarHBondContact O-N 3.13Å; H565-G567 PolarHBondContact O-N 2.86Å; G567-K569 PolarHBondContact O-N 3.08Å
568	E	73.3	Confident	81.6	Confident	110 Å²	110	82.1 Å²	82.1	51%	0.514	42%	0.418	S	S	.	.			trans	-67.4	124.6	-170.6	-72.9	173.2	120.9	0	0	112.2	L563 T566 P570	L563-E568 HydrophobicContact CD2-CB 3.9Å; L563-E568 PolarHBondContact O-N 3.27Å; T566-E568 VanDerWaalsContact CB-OE2 3.26Å; T566-E568 WeakPolarHBondContact CB-OE2 3.3Å; T566-E568 PolarHBondContact O-N 2.97Å; T566-E568 VanDerWaalsContact O-N 3.12Å; T566-E568 WeakPolarHBondContact OG1-CB 3.5Å; T566-E568 VanDerWaalsContact OG1-CG 3.3Å; T566-E568 WeakPolarHBondContact OG1-CG 3.3Å; T566-E568 PolarHBondContact OG1-N 3.13Å; T566-E568 PolarHBondContact OG1-OE2 3.28Å; E568-P570 WeakPolarHBondContact O-CD 3.25Å
569	K	78.7	Confident	81.4	Confident	108 Å²	108	88.4 Å²	88.4	47%	0.47	44%	0.44	S	S	.	.			trans	-121.9	83.4	178.1	-70.1	159.2	-175.8	169.2	0	107.2	G567 H571 R579 F580	G567-K569 PolarHBondContact O-N 3.08Å; K569-H571 VanDerWaalsContact C-N 3.27Å; K569-H571 PolarHBondContact O-N 3.26Å; K569-R579 HydrophobicContact CB-CB 3.41Å; K569-R579 VanDerWaalsContact CB-CB 3.41Å; K569-R579 HydrophobicContact CD-CB 4.34Å; K569-R579 HydrophobicContact CG-CB 4.46Å; K569-R579 PolarHBondContact O-NE 2.87Å; K569-R579 PolarHBondContact O-NH2 2.91Å; K569-R579 VanDerWaalsContact O-NH2 3.13Å; K569-F580 CarbonylContact C-O 3.57Å; K569-F580 WeakPolarHBondContact CA-O 3.4Å
570	P	78.8	Confident	81.2	Confident	71 Å²	71	84.9 Å²	84.9	46%	0.461	42%	0.423	S	S	.	.			trans	-65.1	-27.6	-172.2	21.7	-32.4	0	0	0	113.4	E568 R572	E568-P570 WeakPolarHBondContact O-CD 3.25Å; P570-R572 PolarHBondContact O-N 3.37Å
571	H	81.7	Confident	81.2	Confident	58 Å²	58	81.4 Å²	81.4	27%	0.269	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	101.4	-173.6	-51.5	-61.2	0	0	0	111.6	K569 R579 F580 T583 L586	K569-H571 VanDerWaalsContact C-N 3.27Å; K569-H571 PolarHBondContact O-N 3.26Å; H571-R579 CarbonylContact O-C 3.36Å; H571-R579 WeakPolarHBondContact O-CA 3.49Å; H571-F580 HydrophobicContact CB-CB 4.46Å; H571-F580 PolarHBondContact N-O 3.11Å; H571-F580 VanDerWaalsContact N-O 3.08Å; H571-F580 PolarHBondContact O-N 3.06Å; H571-T583 PolarHBondContact CD2-N 2.94Å; H571-T583 VanDerWaalsContact CD2-N 3.28Å; H571-T583 WeakPolarHBondContact CE1-CG2 3.38Å; H571-T583 PolarHBondContact NE2-N 3.35Å; H571-L586 HydrophobicContact CB-CB 4.21Å; H571-L586 HydrophobicContact CB-CD2 3.9Å
572	R	81.6	Confident	81	Confident	145 Å²	145	81.4 Å²	81.4	55%	0.547	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	139.9	175.4	-174.4	176	179.5	178.2	-2.4	110.6	P570 R579 L586	P570-R572 PolarHBondContact O-N 3.37Å; R572-R579 HydrophobicContact CB-CG 4.42Å; R572-R579 HydrophobicContact CG-CG 4.48Å; R572-L586 WeakPolarHBondContact O-CD2 3.16Å
573	C	86.3	Confident	81.1	Confident	1 Å²	1	82.4 Å²	82.4	1%	0.007	43%	0.425	C	S	.	.			trans	-83.6	126.9	163.6	-179.9	0	0	0	0	109.4	L577 K578 F580 L586 H589 H593	C573-L577 WeakPolarHBondContact O-CA 3.45Å; C573-L577 PolarHBondContact O-N 3.4Å; C573-K578 WeakPolarHBondContact CB-O 3.4Å; C573-K578 PolarHBondContact N-O 3.42Å; C573-F580 HydrophobicContact CB-CE2 4.19Å; C573-L586 HydrophobicContact CB-CD1 3.72Å; C573-H589 VanDerWaalsContact SG-CD2 3.58Å; C573-H589 PolarHBondContact SG-NE2 3.5Å; C573-H593 PolarHBondContact SG-NE2 3.31Å
574	E	85.3	Confident	81.2	Confident	178 Å²	178	83.1 Å²	83.1	83%	0.832	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-31.4	-178.8	-71.8	158.7	-165.3	0	0	112.4	L577	E574-L577 WeakPolarHBondContact O-CD2 3.33Å
575	V	84.1	Confident	81.5	Confident	96 Å²	96	81.8 Å²	81.8	58%	0.582	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-37.8	-175.2	-172.4	0	0	0	0	113.3	H593	V575-H593 HydrophobicContact CG1-CB 4.37Å; V575-H593 HydrophobicContact CG2-CB 4.44Å
576	C	85.5	Confident	81.8	Confident	38 Å²	38	79.1 Å²	79.1	26%	0.257	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	14.2	-178.3	73	0	0	0	0	114.8	K578 H589 H593	C576-K578 PolarHBondContact O-N 3.09Å; C576-H589 PolarHBondContact SG-NE2 3.21Å; C576-H593 WeakPolarHBondContact CB-CE1 3.3Å; C576-H593 WeakPolarHBondContact CB-NE2 3.47Å; C576-H593 PolarHBondContact SG-CE1 2.67Å; C576-H593 PolarHBondContact SG-NE2 3.04Å
577	L	84.3	Confident	82.3	Confident	96 Å²	96	83 Å²	83	50%	0.503	42%	0.422	S	S	.	.			trans	61.5	-5.7	174.1	-43.5	-170.6	0	0	0	116.2	C573 E574 R579	C573-L577 WeakPolarHBondContact O-CA 3.45Å; C573-L577 PolarHBondContact O-N 3.4Å; E574-L577 WeakPolarHBondContact O-CD2 3.33Å; L577-R579 PolarHBondContact O-N 2.83Å
578	K	81.2	Confident	82.9	Confident	136 Å²	136	82.7 Å²	82.7	59%	0.591	41%	0.412	S	S	*	.			trans	-57.7	134.6	176.8	-68.8	-178	-178.2	-179.2	0	110.8	C573 C576 F580	C573-K578 WeakPolarHBondContact CB-O 3.4Å; C573-K578 PolarHBondContact N-O 3.42Å; C576-K578 PolarHBondContact O-N 3.09Å; K578-F580 HydrophobicContact CB-CE2 4Å; K578-F580 HydrophobicContact CB-CZ 4.16Å; K578-F580 VanDerWaalsContact O-CE2 3.32Å; K578-F580 WeakPolarHBondContact O-CE2 3.34Å
579	R	83.1	Confident	83.5	Confident	151 Å²	151	78.6 Å²	78.6	57%	0.57	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.1	-174.9	-57.1	-179.6	66.8	159.7	1.5	111.4	K569 H571 R572 L577	K569-R579 HydrophobicContact CB-CB 3.41Å; K569-R579 VanDerWaalsContact CB-CB 3.41Å; K569-R579 HydrophobicContact CD-CB 4.34Å; K569-R579 HydrophobicContact CG-CB 4.46Å; K569-R579 PolarHBondContact O-NE 2.87Å; K569-R579 PolarHBondContact O-NH2 2.91Å; K569-R579 VanDerWaalsContact O-NH2 3.13Å; H571-R579 CarbonylContact O-C 3.36Å; H571-R579 WeakPolarHBondContact O-CA 3.49Å; R572-R579 HydrophobicContact CB-CG 4.42Å; R572-R579 HydrophobicContact CG-CG 4.48Å; L577-R579 PolarHBondContact O-N 2.83Å
580	F	80.4	Confident	83.9	Confident	44 Å²	44	76.1 Å²	76.1	19%	0.193	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.2	-176.1	-60	-90	0	0	0	112.2	K569 H571 C573 K578 N585 L586 H589	K569-F580 CarbonylContact C-O 3.57Å; K569-F580 WeakPolarHBondContact CA-O 3.4Å; H571-F580 HydrophobicContact CB-CB 4.46Å; H571-F580 PolarHBondContact N-O 3.11Å; H571-F580 VanDerWaalsContact N-O 3.08Å; H571-F580 PolarHBondContact O-N 3.06Å; C573-F580 HydrophobicContact CB-CE2 4.19Å; K578-F580 HydrophobicContact CB-CE2 4Å; K578-F580 HydrophobicContact CB-CZ 4.16Å; K578-F580 VanDerWaalsContact O-CE2 3.32Å; K578-F580 WeakPolarHBondContact O-CE2 3.34Å; F580-N585 HydrophobicContact CB-CB 4.35Å; F580-N585 HydrophobicContact CD1-CB 4.1Å; F580-L586 HydrophobicContact CB-CB 4.46Å; F580-L586 HydrophobicContact CD2-CB 4.26Å; F580-L586 HydrophobicContact CD2-CD1 4.01Å; F580-L586 HydrophobicContact CE2-CD1 4.24Å; F580-L586 HydrophobicContact CG-CB 4.49Å; F580-H589 HydrophobicContact CE1-CB 3.95Å; F580-H589 HydrophobicContact CE2-CB 4.09Å; F580-H589 AromaticContact CE2-CD2 3.31Å; F580-H589 WeakPolarHBondContact CE2-CD2 3.33Å; F580-H589 AromaticContact CE2-CG 3.7Å; F580-H589 AromaticContact CE2-NE2 3.92Å; F580-H589 HydrophobicContact CZ-CB 3.6Å; F580-H589 AromaticContact CZ-CD2 3.37Å; F580-H589 WeakPolarHBondContact CZ-CD2 3.48Å; F580-H589 AromaticContact CZ-CG 3.26Å; F580-H589 AromaticContact CZ-ND1 3.76Å; F580-H589 AromaticContact CZ-NE2 3.91Å
581	S	80.4	Confident	84.4	Confident	48 Å²	48	75.9 Å²	75.9	34%	0.336	37%	0.374	S	S	.	.	S	Bend	trans	-86.2	0.6	179	53.9	0	0	0	0	114.9
582	S	81.7	Confident	84.5	Confident	23 Å²	23	78.3 Å²	78.3	16%	0.161	39%	0.388	C	S	.	.	S	Bend	trans	-152.9	141.1	175.5	179.7	0	0	0	0	111.4	S584 N585 L586	S582-S584 WeakPolarHBondContact CB-OG 3.26Å; S582-S584 PolarHBondContact O-N 2.9Å; S582-S584 PolarHBondContact OG-N 2.83Å; S582-S584 PolarHBondContact OG-OG 2.98Å; S582-N585 PolarHBondContact O-N 2.86Å; S582-L586 PolarHBondContact O-N 2.93Å
583	T	84.7	Confident	84.6	Confident	82 Å²	82	75.4 Å²	75.4	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-55.6	-34.1	173.3	54.8	0	0	0	0	112.4	H571 N585 L586 K587	H571-T583 PolarHBondContact CD2-N 2.94Å; H571-T583 VanDerWaalsContact CD2-N 3.28Å; H571-T583 WeakPolarHBondContact CE1-CG2 3.38Å; H571-T583 PolarHBondContact NE2-N 3.35Å; T583-N585 PolarHBondContact O-N 3.3Å; T583-L586 PolarHBondContact O-N 3.01Å; T583-K587 WeakPolarHBondContact O-CB 3.38Å; T583-K587 WeakPolarHBondContact O-CG 3.27Å; T583-K587 PolarHBondContact O-N 3.47Å
584	S	84.1	Confident	84.5	Confident	59 Å²	59	79.6 Å²	79.6	41%	0.413	40%	0.403	S	S	.	.	H	α-helix	trans	-57.4	-38.8	174.3	59.3	0	0	0	0	112.4	S582 T588	S582-S584 WeakPolarHBondContact CB-OG 3.26Å; S582-S584 PolarHBondContact O-N 2.9Å; S582-S584 PolarHBondContact OG-N 2.83Å; S582-S584 PolarHBondContact OG-OG 2.98Å; S584-T588 PolarHBondContact O-N 3.39Å; S584-T588 PolarHBondContact O-OG1 2.83Å
585	N	84.8	Confident	84.3	Confident	71 Å²	71	73.6 Å²	73.6	38%	0.38	39%	0.389	S	S	.	.	H	α-helix	trans	-83.2	-32.6	-173.9	-60.9	6.4	0	0	0	110.5	F580 S582 T583 T588 H589	F580-N585 HydrophobicContact CB-CB 4.35Å; F580-N585 HydrophobicContact CD1-CB 4.1Å; S582-N585 PolarHBondContact O-N 2.86Å; T583-N585 PolarHBondContact O-N 3.3Å; N585-T588 PolarHBondContact O-OG1 3Å; N585-H589 WeakPolarHBondContact O-CB 3.4Å; N585-H589 PolarHBondContact O-N 3.23Å
586	L	86.9	Confident	84.1	Confident	29 Å²	29	73.1 Å²	73.1	15%	0.152	38%	0.38	C	S	.	.	H	α-helix	trans	-63.2	-46.7	166.5	177.4	58.4	0	0	0	110.9	H571 R572 C573 F580 S582 T583 T588 H589 L590	H571-L586 HydrophobicContact CB-CB 4.21Å; H571-L586 HydrophobicContact CB-CD2 3.9Å; R572-L586 WeakPolarHBondContact O-CD2 3.16Å; C573-L586 HydrophobicContact CB-CD1 3.72Å; F580-L586 HydrophobicContact CB-CB 4.46Å; F580-L586 HydrophobicContact CD2-CB 4.26Å; F580-L586 HydrophobicContact CD2-CD1 4.01Å; F580-L586 HydrophobicContact CE2-CD1 4.24Å; F580-L586 HydrophobicContact CG-CB 4.49Å; S582-L586 PolarHBondContact O-N 2.93Å; T583-L586 PolarHBondContact O-N 3.01Å; L586-T588 PolarHBondContact O-N 3.15Å; L586-H589 WeakPolarHBondContact O-CB 3.46Å; L586-H589 PolarHBondContact O-N 3.24Å; L586-H589 VanDerWaalsContact O-N 3.14Å; L586-L590 HydrophobicContact CD1-CD1 4.1Å; L586-L590 HydrophobicContact CD1-CD2 4.4Å; L586-L590 HydrophobicContact CD1-CG 3.97Å; L586-L590 HydrophobicContact CG-CD1 4Å; L586-L590 HydrophobicContact CG-CG 4.35Å; L586-L590 WeakPolarHBondContact O-CG 3.26Å; L586-L590 PolarHBondContact O-N 3.43Å
587	K	87.1	Confident	84.1	Confident	153 Å²	153	77 Å²	77	67%	0.665	39%	0.393	S	S	*	.	H	α-helix	trans	-61.8	-38.7	178	-75.8	-170.8	176.5	-170.1	0	113.2	T583	T583-K587 WeakPolarHBondContact O-CB 3.38Å; T583-K587 WeakPolarHBondContact O-CG 3.27Å; T583-K587 PolarHBondContact O-N 3.47Å
588	T	86.3	Confident	84.2	Confident	40 Å²	40	76.3 Å²	76.3	25%	0.245	39%	0.394	C	S	.	.	H	α-helix	trans	-76	-24.6	174.3	54.9	0	0	0	0	113.4	S584 N585 L586	S584-T588 PolarHBondContact O-N 3.39Å; S584-T588 PolarHBondContact O-OG1 2.83Å; N585-T588 PolarHBondContact O-OG1 3Å; L586-T588 PolarHBondContact O-N 3.15Å
589	H	87.4	Confident	84.5	Confident	23 Å²	23	73.2 Å²	73.2	11%	0.106	38%	0.379	C	S	.	.	H	α-helix	trans	-73	-42.8	171.6	168	62.2	0	0	0	112.7	C573 C576 F580 N585 L586 R591 L592 H593	C573-H589 VanDerWaalsContact SG-CD2 3.58Å; C573-H589 PolarHBondContact SG-NE2 3.5Å; C576-H589 PolarHBondContact SG-NE2 3.21Å; F580-H589 HydrophobicContact CE1-CB 3.95Å; F580-H589 HydrophobicContact CE2-CB 4.09Å; F580-H589 AromaticContact CE2-CD2 3.31Å; F580-H589 WeakPolarHBondContact CE2-CD2 3.33Å; F580-H589 AromaticContact CE2-CG 3.7Å; F580-H589 AromaticContact CE2-NE2 3.92Å; F580-H589 HydrophobicContact CZ-CB 3.6Å; F580-H589 AromaticContact CZ-CD2 3.37Å; F580-H589 WeakPolarHBondContact CZ-CD2 3.48Å; F580-H589 AromaticContact CZ-CG 3.26Å; F580-H589 AromaticContact CZ-ND1 3.76Å; F580-H589 AromaticContact CZ-NE2 3.91Å; N585-H589 WeakPolarHBondContact O-CB 3.4Å; N585-H589 PolarHBondContact O-N 3.23Å; L586-H589 WeakPolarHBondContact O-CB 3.46Å; L586-H589 PolarHBondContact O-N 3.24Å; L586-H589 VanDerWaalsContact O-N 3.14Å; H589-R591 PolarHBondContact O-N 2.79Å; H589-L592 VanDerWaalsContact O-CB 3.23Å; H589-L592 WeakPolarHBondContact O-CB 3.38Å; H589-L592 PolarHBondContact O-N 3.28Å; H589-H593 AromaticContact CD2-NE2 3.62Å; H589-H593 AromaticContact CE1-CD2 3.99Å; H589-H593 AromaticContact CE1-NE2 2.87Å; H589-H593 PolarHBondContact CE1-NE2 3.44Å; H589-H593 AromaticContact NE2-CD2 3.7Å; H589-H593 AromaticContact NE2-NE2 2.46Å; H589-H593 PolarHBondContact NE2-NE2 2.98Å
590	L	86.9	Confident	84.7	Confident	56 Å²	56	68.1 Å²	68.1	29%	0.293	37%	0.369	S	S	.	.	H	α-helix	trans	-58.9	-28.7	178.9	-73.1	167.5	0	0	0	112.8	L586 L592 H593 N594	L586-L590 HydrophobicContact CD1-CD1 4.1Å; L586-L590 HydrophobicContact CD1-CD2 4.4Å; L586-L590 HydrophobicContact CD1-CG 3.97Å; L586-L590 HydrophobicContact CG-CD1 4Å; L586-L590 HydrophobicContact CG-CG 4.35Å; L586-L590 WeakPolarHBondContact O-CG 3.26Å; L586-L590 PolarHBondContact O-N 3.43Å; L590-L592 PolarHBondContact O-N 2.88Å; L590-L592 VanDerWaalsContact O-N 3.15Å; L590-H593 PolarHBondContact O-N 3.02Å; L590-N594 PolarHBondContact O-N 2.85Å; L590-N594 PolarHBondContact O-OD1 3.14Å
591	R	88.1	Confident	85.1	Confident	67 Å²	67	66.6 Å²	66.6	25%	0.253	36%	0.364	S	S	.	.	H	α-helix	trans	-57.2	-24.8	170.5	-67.6	179.9	-177.3	-177.9	-3	114.1	H589 G595 Q596 Y599 T609	H589-R591 PolarHBondContact O-N 2.79Å; R591-G595 CarbonylContact O-C 3.48Å; R591-G595 PolarHBondContact O-N 3.38Å; R591-Q596 HydrophobicContact CB-CB 4.3Å; R591-Q596 HydrophobicContact CG-CB 4.35Å; R591-Q596 PolarHBondContact O-N 2.77Å; R591-Y599 PolarHBondContact NH1-OH 3.37Å; R591-T609 PolarHBondContact NH1-O 3.3Å; R591-T609 VanDerWaalsContact NH1-O 3.08Å
592	L	85.4	Confident	85.5	Confident	108 Å²	108	70 Å²	70	57%	0.565	38%	0.378	S	S	*	.	H	α-helix	trans	-73.5	-36.3	175.3	-62.8	163.2	0	0	0	111.6	H589 L590 T609	H589-L592 VanDerWaalsContact O-CB 3.23Å; H589-L592 WeakPolarHBondContact O-CB 3.38Å; H589-L592 PolarHBondContact O-N 3.28Å; L590-L592 PolarHBondContact O-N 2.88Å; L590-L592 VanDerWaalsContact O-N 3.15Å; L592-T609 HydrophobicContact CD2-CG2 3.97Å
593	H	83.3	Confident	85.7	Confident	85 Å²	85	75.3 Å²	75.3	39%	0.394	40%	0.399	S	S	.	.	H	α-helix	trans	-73.7	-45.3	176.3	-68	-59.6	0	0	0	111.4	C573 V575 C576 H589 L590 G595	C573-H593 PolarHBondContact SG-NE2 3.31Å; V575-H593 HydrophobicContact CG1-CB 4.37Å; V575-H593 HydrophobicContact CG2-CB 4.44Å; C576-H593 WeakPolarHBondContact CB-CE1 3.3Å; C576-H593 WeakPolarHBondContact CB-NE2 3.47Å; C576-H593 PolarHBondContact SG-CE1 2.67Å; C576-H593 PolarHBondContact SG-NE2 3.04Å; H589-H593 AromaticContact CD2-NE2 3.62Å; H589-H593 AromaticContact CE1-CD2 3.99Å; H589-H593 AromaticContact CE1-NE2 2.87Å; H589-H593 PolarHBondContact CE1-NE2 3.44Å; H589-H593 AromaticContact NE2-CD2 3.7Å; H589-H593 AromaticContact NE2-NE2 2.46Å; H589-H593 PolarHBondContact NE2-NE2 2.98Å; L590-H593 PolarHBondContact O-N 3.02Å; H593-G595 PolarHBondContact O-N 3.22Å; H593-G595 VanDerWaalsContact O-N 3.15Å
594	N	82.8	Confident	85.8	Confident	89 Å²	89	73 Å²	73	48%	0.476	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	7.2	179.9	-61.1	36.1	0	0	0	113.3	L590 Q596	L590-N594 PolarHBondContact O-N 2.85Å; L590-N594 PolarHBondContact O-OD1 3.14Å; N594-Q596 HydrophobicContact CB-CG 4.06Å; N594-Q596 PolarHBondContact O-N 3.11Å
595	G	81	Confident	85.9	Confident	51 Å²	51	76.4 Å²	76.4	53%	0.526	41%	0.407	S	S	.	.			trans	63	1	-176.6	0	0	0	0	0	116.1	R591 H593 K597	R591-G595 CarbonylContact O-C 3.48Å; R591-G595 PolarHBondContact O-N 3.38Å; H593-G595 PolarHBondContact O-N 3.22Å; H593-G595 VanDerWaalsContact O-N 3.15Å; G595-K597 PolarHBondContact O-N 3.37Å; G595-K597 VanDerWaalsContact O-N 3.08Å
596	Q	81.7	Confident	85.9	Confident	87 Å²	87	75.2 Å²	75.2	41%	0.407	40%	0.404	S	S	.	.			trans	-68.1	105.9	-169	-73.3	-172.9	-8.5	0	0	112.7	Y494 R591 N594 P598	Y494-Q596 PolarHBondContact OH-NE2 2.9Å; R591-Q596 HydrophobicContact CB-CB 4.3Å; R591-Q596 HydrophobicContact CG-CB 4.35Å; R591-Q596 PolarHBondContact O-N 2.77Å; N594-Q596 HydrophobicContact CB-CG 4.06Å; N594-Q596 PolarHBondContact O-N 3.11Å; Q596-P598 VanDerWaalsContact C-CD 3.41Å; Q596-P598 WeakPolarHBondContact O-CD 3.5Å
597	K	85.4	Confident	86.1	Confident	120 Å²	120	80 Å²	80	52%	0.522	42%	0.423	S	S	.	.			trans	-111.2	73.5	175.3	-70.3	166.1	167.7	-176	0	110.9	G595 Y599 K607 F608 T609	G595-K597 PolarHBondContact O-N 3.37Å; G595-K597 VanDerWaalsContact O-N 3.08Å; K597-Y599 VanDerWaalsContact C-N 3.25Å; K597-Y599 PolarHBondContact O-N 3.12Å; K597-K607 HydrophobicContact CB-CB 3.66Å; K597-K607 HydrophobicContact CD-CB 4.3Å; K597-K607 WeakPolarHBondContact CD-O 3.28Å; K597-F608 CarbonylContact C-O 3.59Å; K597-F608 VanDerWaalsContact C-O 3.22Å; K597-F608 VanDerWaalsContact CA-O 3.28Å; K597-F608 WeakPolarHBondContact CA-O 3.44Å; K597-T609 HydrophobicContact CG-CG2 3.87Å
598	P	86.3	Confident	86	Confident	80 Å²	80	74.8 Å²	74.8	52%	0.519	40%	0.401	S	S	.	.			trans	-72.9	-9.6	-171.7	30.1	-37.1	0	0	0	114.8	Q596	Q596-P598 VanDerWaalsContact C-CD 3.41Å; Q596-P598 WeakPolarHBondContact O-CD 3.5Å
599	Y	87.9	Confident	86.1	Confident	71 Å²	71	73.7 Å²	73.7	28%	0.278	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	94	-178.3	-53.8	-71.9	0	0	0	110.1	R591 K597 K607 F608 T609 F611	R591-Y599 PolarHBondContact NH1-OH 3.37Å; K597-Y599 VanDerWaalsContact C-N 3.25Å; K597-Y599 PolarHBondContact O-N 3.12Å; Y599-K607 WeakPolarHBondContact O-CA 3.4Å; Y599-F608 WeakPolarHBondContact CD2-O 3.32Å; Y599-F608 PolarHBondContact N-O 3.08Å; Y599-F608 VanDerWaalsContact N-O 3.11Å; Y599-F608 PolarHBondContact O-N 3.45Å; Y599-T609 WeakPolarHBondContact CE2-O 3.42Å; Y599-F611 HydrophobicContact CD1-CB 4.07Å; Y599-F611 HydrophobicContact CD1-CD2 4.05Å; Y599-F611 HydrophobicContact CD2-CB 4.48Å; Y599-F611 VanDerWaalsContact CD2-N 3.32Å; Y599-F611 HydrophobicContact CE1-CB 3.88Å; Y599-F611 HydrophobicContact CE1-CD2 4.3Å; Y599-F611 HydrophobicContact CE2-CB 4.3Å; Y599-F611 VanDerWaalsContact CE2-N 3.31Å; Y599-F611 HydrophobicContact CG-CB 4.37Å
600	A	86.1	Confident	86	Confident	45 Å²	45	75.9 Å²	75.9	37%	0.372	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	157.4	173.7	0	0	0	0	0	111.9	K607 L614	A600-K607 HydrophobicContact CB-CG 4.11Å; A600-L614 WeakPolarHBondContact O-CD1 3.09Å; A600-L614 WeakPolarHBondContact O-CD2 3.48Å
601	C	90	Very high	86.1	Confident	11 Å²	11	78.9 Å²	78.9	7%	0.074	42%	0.415	C	S	.	.			trans	-94.3	140.8	164.1	-167.7	0	0	0	0	110.3	F603 S606 L614 H617	C601-F603 VanDerWaalsContact C-N 3.34Å; C601-S606 PolarHBondContact N-O 2.82Å; C601-L614 HydrophobicContact CB-CD1 3.88Å; C601-H617 VanDerWaalsContact SG-CD2 3.52Å
602	D	88.7	Confident	85.9	Confident	119 Å²	119	80.5 Å²	80.5	64%	0.636	43%	0.432	S	S	*	.	S	Bend	trans	-80.3	-20.6	-179	-28.9	-68.3	0	0	0	111.7	K618	D602-K618 WeakPolarHBondContact OD2-CE 3.39Å; D602-K618 IonicContact OD2-NZ 2.69Å; D602-K618 PolarHBondContact OD2-NZ 2.82Å
603	F	84.7	Confident	86	Confident	135 Å²	135	79.6 Å²	79.6	59%	0.592	43%	0.425	S	S	*	.	S	Bend	trans	-93.6	-14.5	-178.7	-58.4	-67.5	0	0	0	114.2	C601 H621	C601-F603 VanDerWaalsContact C-N 3.34Å; F603-H621 HydrophobicContact CB-CB 4.43Å; F603-H621 HydrophobicContact CD2-CB 3.96Å; F603-H621 AromaticContact CD2-CD2 3.89Å; F603-H621 AromaticContact CD2-CG 3.98Å; F603-H621 HydrophobicContact CG-CB 4.28Å
604	C	86.7	Confident	86.3	Confident	34 Å²	34	76.1 Å²	76.1	23%	0.23	41%	0.409	C	S	.	.	S	Bend	trans	-162.2	161.4	-179.8	85.3	0	0	0	0	112	S606 H617	C604-S606 PolarHBondContact O-N 3.45Å; C604-S606 PolarHBondContact SG-OG 3.45Å; C604-H617 PolarHBondContact SG-NE2 3.07Å
605	P	87	Confident	86.6	Confident	131 Å²	131	78 Å²	78	85%	0.851	41%	0.413	S	S	*	.	S	Bend	trans	-68.5	10.5	-173.9	28.2	-36.6	0	0	0	115.9	K607	P605-K607 PolarHBondContact O-N 3.49Å
606	S	85.3	Confident	86.9	Confident	46 Å²	46	78.5 Å²	78.5	32%	0.322	40%	0.404	S	S	.	.			trans	-70.6	122.8	179.9	-65.6	0	0	0	0	112	C601 C604	C601-S606 PolarHBondContact N-O 2.82Å; C604-S606 PolarHBondContact O-N 3.45Å; C604-S606 PolarHBondContact SG-OG 3.45Å
607	K	89.2	Confident	87.2	Confident	128 Å²	128	75.6 Å²	75.6	56%	0.557	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.5	176.1	-55.3	-174.8	-178	179.8	0	111.5	K597 Y599 A600 P605	K597-K607 HydrophobicContact CB-CB 3.66Å; K597-K607 HydrophobicContact CD-CB 4.3Å; K597-K607 WeakPolarHBondContact CD-O 3.28Å; Y599-K607 WeakPolarHBondContact O-CA 3.4Å; A600-K607 HydrophobicContact CB-CG 4.11Å; P605-K607 PolarHBondContact O-N 3.49Å
608	F	86.3	Confident	87.3	Confident	45 Å²	45	73.4 Å²	73.4	20%	0.197	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.6	-172.1	-58.2	-85.3	0	0	0	112.8	K597 Y599 H613 L614 H617	K597-F608 CarbonylContact C-O 3.59Å; K597-F608 VanDerWaalsContact C-O 3.22Å; K597-F608 VanDerWaalsContact CA-O 3.28Å; K597-F608 WeakPolarHBondContact CA-O 3.44Å; Y599-F608 WeakPolarHBondContact CD2-O 3.32Å; Y599-F608 PolarHBondContact N-O 3.08Å; Y599-F608 VanDerWaalsContact N-O 3.11Å; Y599-F608 PolarHBondContact O-N 3.45Å; F608-H613 HydrophobicContact CB-CB 4.2Å; F608-H613 HydrophobicContact CD1-CB 3.79Å; F608-H613 HydrophobicContact CG-CB 4.18Å; F608-L614 HydrophobicContact CD2-CB 4.06Å; F608-L614 HydrophobicContact CD2-CD1 4.11Å; F608-L614 HydrophobicContact CE2-CD1 4.3Å; F608-H617 HydrophobicContact CE1-CB 4.22Å; F608-H617 HydrophobicContact CE2-CB 3.8Å; F608-H617 AromaticContact CE2-CD2 3.56Å; F608-H617 AromaticContact CE2-CG 3.59Å; F608-H617 HydrophobicContact CZ-CB 3.52Å; F608-H617 AromaticContact CZ-CD2 3.78Å; F608-H617 AromaticContact CZ-CG 3.34Å; F608-H617 AromaticContact CZ-ND1 3.61Å
609	T	87.1	Confident	87.4	Confident	17 Å²	17	71.4 Å²	71.4	10%	0.104	36%	0.362	C	S	.	.	S	Bend	trans	-80.9	-19.9	178.1	55.4	0	0	0	0	113.8	R591 L592 K597 Y599	R591-T609 PolarHBondContact NH1-O 3.3Å; R591-T609 VanDerWaalsContact NH1-O 3.08Å; L592-T609 HydrophobicContact CD2-CG2 3.97Å; K597-T609 HydrophobicContact CG-CG2 3.87Å; Y599-T609 WeakPolarHBondContact CE2-O 3.42Å
610	Q	86.9	Confident	87.2	Confident	68 Å²	68	72.6 Å²	72.6	32%	0.318	37%	0.373	S	S	.	.	S	Bend	trans	-136.2	138.7	-177.3	-58.7	-173	18.2	0	0	111.7	V612 H613 L614	Q610-V612 VanDerWaalsContact C-N 3.28Å; Q610-V612 PolarHBondContact O-N 3.43Å; Q610-H613 PolarHBondContact O-N 2.91Å; Q610-H613 VanDerWaalsContact O-N 3.12Å; Q610-L614 PolarHBondContact O-N 2.89Å
611	F	88.1	Confident	87.2	Confident	119 Å²	119	73.8 Å²	73.8	52%	0.522	37%	0.371	S	S	.	.	H	α-helix	trans	-60.9	-33	-178.3	-179.5	-103.7	0	0	0	113.5	Y599 H613 L614 K615	Y599-F611 HydrophobicContact CD1-CB 4.07Å; Y599-F611 HydrophobicContact CD1-CD2 4.05Å; Y599-F611 HydrophobicContact CD2-CB 4.48Å; Y599-F611 VanDerWaalsContact CD2-N 3.32Å; Y599-F611 HydrophobicContact CE1-CB 3.88Å; Y599-F611 HydrophobicContact CE1-CD2 4.3Å; Y599-F611 HydrophobicContact CE2-CB 4.3Å; Y599-F611 VanDerWaalsContact CE2-N 3.31Å; Y599-F611 HydrophobicContact CG-CB 4.37Å; F611-H613 VanDerWaalsContact C-N 3.26Å; F611-H613 PolarHBondContact O-N 3.14Å; F611-L614 HydrophobicContact CD2-CD2 4.43Å; F611-L614 PolarHBondContact O-N 3.22Å; F611-L614 VanDerWaalsContact O-N 3.15Å; F611-K615 HydrophobicContact CE1-CB 4.49Å; F611-K615 PolarHBondContact O-N 3.16Å
612	V	84.9	Confident	86.9	Confident	102 Å²	102	76.8 Å²	76.8	62%	0.618	39%	0.389	S	S	*	.	H	α-helix	trans	-61.7	-36.2	177.7	-177	0	0	0	0	111.3	Q610 L616	Q610-V612 VanDerWaalsContact C-N 3.28Å; Q610-V612 PolarHBondContact O-N 3.43Å; V612-L616 WeakPolarHBondContact O-CB 3.48Å; V612-L616 PolarHBondContact O-N 3.27Å
613	H	87.4	Confident	86.4	Confident	88 Å²	88	75.8 Å²	75.8	41%	0.407	38%	0.383	S	S	.	.	H	α-helix	trans	-70.9	-37.9	176.1	-58.8	162.3	0	0	0	111.5	F608 Q610 F611 L616 H617	F608-H613 HydrophobicContact CB-CB 4.2Å; F608-H613 HydrophobicContact CD1-CB 3.79Å; F608-H613 HydrophobicContact CG-CB 4.18Å; Q610-H613 PolarHBondContact O-N 2.91Å; Q610-H613 VanDerWaalsContact O-N 3.12Å; F611-H613 VanDerWaalsContact C-N 3.26Å; F611-H613 PolarHBondContact O-N 3.14Å; H613-L616 PolarHBondContact O-N 3.29Å; H613-H617 VanDerWaalsContact O-CB 3.22Å; H613-H617 WeakPolarHBondContact O-CB 3.48Å; H613-H617 PolarHBondContact O-N 3.26Å
614	L	89.7	Confident	86.2	Confident	13 Å²	13	73.4 Å²	73.4	7%	0.068	37%	0.374	C	S	.	.	H	α-helix	trans	-62.9	-48.2	171.2	173.7	61.7	0	0	0	111.9	A600 C601 F608 Q610 F611 L616 H617 K618	A600-L614 WeakPolarHBondContact O-CD1 3.09Å; A600-L614 WeakPolarHBondContact O-CD2 3.48Å; C601-L614 HydrophobicContact CB-CD1 3.88Å; F608-L614 HydrophobicContact CD2-CB 4.06Å; F608-L614 HydrophobicContact CD2-CD1 4.11Å; F608-L614 HydrophobicContact CE2-CD1 4.3Å; Q610-L614 PolarHBondContact O-N 2.89Å; F611-L614 HydrophobicContact CD2-CD2 4.43Å; F611-L614 PolarHBondContact O-N 3.22Å; F611-L614 VanDerWaalsContact O-N 3.15Å; L614-L616 VanDerWaalsContact C-N 3.27Å; L614-L616 PolarHBondContact O-N 3.05Å; L614-H617 PolarHBondContact O-N 2.83Å; L614-H617 VanDerWaalsContact O-N 3.13Å; L614-K618 HydrophobicContact CD1-CG 4.16Å; L614-K618 PolarHBondContact O-N 3.3Å
615	K	87	Confident	86.2	Confident	128 Å²	128	76.7 Å²	76.7	56%	0.557	38%	0.382	S	S	*	.	H	α-helix	trans	-60.6	-38.7	178.7	-176.7	170.2	-178.7	173.4	0	111.5	F611	F611-K615 HydrophobicContact CE1-CB 4.49Å; F611-K615 PolarHBondContact O-N 3.16Å
616	L	87.9	Confident	86	Confident	62 Å²	62	72.6 Å²	72.6	33%	0.325	36%	0.355	S	S	.	.	H	α-helix	trans	-69.7	-38.2	175	-174.4	63.1	0	0	0	112.3	V612 H613 L614 R619 I637	V612-L616 WeakPolarHBondContact O-CB 3.48Å; V612-L616 PolarHBondContact O-N 3.27Å; H613-L616 PolarHBondContact O-N 3.29Å; L614-L616 VanDerWaalsContact C-N 3.27Å; L614-L616 PolarHBondContact O-N 3.05Å; L616-R619 PolarHBondContact O-N 3.4Å; L616-I637 HydrophobicContact CD1-CG2 4.05Å; L616-I637 VanDerWaalsContact CD1-O 3.3Å; L616-I637 WeakPolarHBondContact CD1-O 3.43Å
617	H	88.1	Confident	86	Confident	25 Å²	25	72 Å²	72	12%	0.116	35%	0.346	C	S	.	.	H	α-helix	trans	-67.3	-37.6	176.5	171.3	80.3	0	0	0	112.6	C601 C604 F608 H613 L614 R619 L620 H621	C601-H617 VanDerWaalsContact SG-CD2 3.52Å; C604-H617 PolarHBondContact SG-NE2 3.07Å; F608-H617 HydrophobicContact CE1-CB 4.22Å; F608-H617 HydrophobicContact CE2-CB 3.8Å; F608-H617 AromaticContact CE2-CD2 3.56Å; F608-H617 AromaticContact CE2-CG 3.59Å; F608-H617 HydrophobicContact CZ-CB 3.52Å; F608-H617 AromaticContact CZ-CD2 3.78Å; F608-H617 AromaticContact CZ-CG 3.34Å; F608-H617 AromaticContact CZ-ND1 3.61Å; H613-H617 VanDerWaalsContact O-CB 3.22Å; H613-H617 WeakPolarHBondContact O-CB 3.48Å; H613-H617 PolarHBondContact O-N 3.26Å; L614-H617 PolarHBondContact O-N 2.83Å; L614-H617 VanDerWaalsContact O-N 3.13Å; H617-R619 PolarHBondContact O-N 3.4Å; H617-R619 VanDerWaalsContact O-N 3.16Å; H617-L620 VanDerWaalsContact O-CB 3.26Å; H617-L620 WeakPolarHBondContact O-CB 3.31Å; H617-L620 PolarHBondContact O-N 2.95Å; H617-H621 AromaticContact CD2-NE2 3.81Å; H617-H621 AromaticContact CE1-NE2 3.62Å; H617-H621 AromaticContact NE2-CD2 3.86Å; H617-H621 AromaticContact NE2-NE2 3.06Å; H617-H621 PolarHBondContact NE2-NE2 3.15Å
618	K	88	Confident	85.8	Confident	74 Å²	74	69.1 Å²	69.1	32%	0.322	34%	0.336	S	S	.	.	H	α-helix	trans	-56.7	-31.3	176	-79.3	-168.5	171.3	-167.1	0	113	D602 L614 L620 H621 T622	D602-K618 WeakPolarHBondContact OD2-CE 3.39Å; D602-K618 IonicContact OD2-NZ 2.69Å; D602-K618 PolarHBondContact OD2-NZ 2.82Å; L614-K618 HydrophobicContact CD1-CG 4.16Å; L614-K618 PolarHBondContact O-N 3.3Å; K618-L620 PolarHBondContact O-N 2.96Å; K618-H621 PolarHBondContact O-N 2.97Å; K618-H621 VanDerWaalsContact O-N 3.1Å; K618-T622 PolarHBondContact O-N 3.07Å
619	R	87.4	Confident	85.7	Confident	39 Å²	39	67 Å²	67	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-68.3	-14.8	174.1	-67.3	-175.1	164	159.2	-2.1	115.1	L616 H617 T622 N623 E624 Y627 I637	L616-R619 PolarHBondContact O-N 3.4Å; H617-R619 PolarHBondContact O-N 3.4Å; H617-R619 VanDerWaalsContact O-N 3.16Å; R619-T622 WeakPolarHBondContact CA-OG1 3.4Å; R619-N623 CarbonylContact O-C 3.56Å; R619-N623 WeakPolarHBondContact O-CA 3.08Å; R619-N623 PolarHBondContact O-N 2.71Å; R619-N623 VanDerWaalsContact O-N 3.14Å; R619-E624 HydrophobicContact CB-CB 4.06Å; R619-E624 HydrophobicContact CG-CB 3.96Å; R619-E624 IonicContact NE-OE2 2.71Å; R619-E624 PolarHBondContact NE-OE2 2.75Å; R619-E624 VanDerWaalsContact NE-OE2 3.17Å; R619-E624 PolarHBondContact O-N 2.9Å; R619-Y627 PolarHBondContact NH1-OH 3.29Å; R619-I637 HydrophobicContact CB-CG2 3.54Å
620	L	85.2	Confident	85.4	Confident	95 Å²	95	69.5 Å²	69.5	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-69.2	-37.7	169	-67.8	158.4	0	0	0	110.6	H617 K618 I637	H617-L620 VanDerWaalsContact O-CB 3.26Å; H617-L620 WeakPolarHBondContact O-CB 3.31Å; H617-L620 PolarHBondContact O-N 2.95Å; K618-L620 PolarHBondContact O-N 2.96Å; L620-I637 HydrophobicContact CD2-CD1 3.49Å; L620-I637 VanDerWaalsContact CD2-CD1 3.49Å; L620-I637 HydrophobicContact CG-CD1 4.23Å
621	H	84.6	Confident	85.2	Confident	70 Å²	70	70.4 Å²	70.4	32%	0.324	36%	0.36	S	S	.	.	H	α-helix	trans	-75.3	-45.1	179.1	-59.5	-67.1	0	0	0	111.9	F603 H617 K618 N623	F603-H621 HydrophobicContact CB-CB 4.43Å; F603-H621 HydrophobicContact CD2-CB 3.96Å; F603-H621 AromaticContact CD2-CD2 3.89Å; F603-H621 AromaticContact CD2-CG 3.98Å; F603-H621 HydrophobicContact CG-CB 4.28Å; H617-H621 AromaticContact CD2-NE2 3.81Å; H617-H621 AromaticContact CE1-NE2 3.62Å; H617-H621 AromaticContact NE2-CD2 3.86Å; H617-H621 AromaticContact NE2-NE2 3.06Å; H617-H621 PolarHBondContact NE2-NE2 3.15Å; K618-H621 PolarHBondContact O-N 2.97Å; K618-H621 VanDerWaalsContact O-N 3.1Å; H621-N623 PolarHBondContact O-N 3.25Å
622	T	84.4	Confident	85.1	Confident	75 Å²	75	66.7 Å²	66.7	46%	0.46	35%	0.348	S	S	.	.	S	Bend	trans	-75.2	-3.3	175.5	63.7	0	0	0	0	113.7	K618 R619 E624	K618-T622 PolarHBondContact O-N 3.07Å; R619-T622 WeakPolarHBondContact CA-OG1 3.4Å; T622-E624 WeakPolarHBondContact CB-OE1 3.34Å; T622-E624 PolarHBondContact O-N 2.83Å; T622-E624 VanDerWaalsContact OG1-CD 3.27Å; T622-E624 WeakPolarHBondContact OG1-CG 3.44Å; T622-E624 PolarHBondContact OG1-OE1 2.95Å
623	N	78.8	Confident	85	Confident	97 Å²	97	67.3 Å²	67.3	52%	0.519	35%	0.348	S	S	.	.			trans	54.7	10.5	-173.3	-88.4	-76	0	0	0	115.9	R619 H621 R625	R619-N623 CarbonylContact O-C 3.56Å; R619-N623 WeakPolarHBondContact O-CA 3.08Å; R619-N623 PolarHBondContact O-N 2.71Å; R619-N623 VanDerWaalsContact O-N 3.14Å; H621-N623 PolarHBondContact O-N 3.25Å; N623-R625 PolarHBondContact O-N 2.83Å; N623-R625 PolarHBondContact O-NH1 2.95Å; N623-R625 PolarHBondContact OD1-NH1 2.84Å; N623-R625 PolarHBondContact OD1-NH2 2.61Å
624	E	81.1	Confident	84.9	Confident	85 Å²	85	69 Å²	69	40%	0.397	35%	0.354	S	S	.	.			trans	-53.8	119.8	176.4	-83.9	168.2	-117.7	0	0	112.1	R619 T622	R619-E624 HydrophobicContact CB-CB 4.06Å; R619-E624 HydrophobicContact CG-CB 3.96Å; R619-E624 IonicContact NE-OE2 2.71Å; R619-E624 PolarHBondContact NE-OE2 2.75Å; R619-E624 VanDerWaalsContact NE-OE2 3.17Å; R619-E624 PolarHBondContact O-N 2.9Å; T622-E624 WeakPolarHBondContact CB-OE1 3.34Å; T622-E624 PolarHBondContact O-N 2.83Å; T622-E624 VanDerWaalsContact OG1-CD 3.27Å; T622-E624 WeakPolarHBondContact OG1-CG 3.44Å; T622-E624 PolarHBondContact OG1-OE1 2.95Å
625	R	84.8	Confident	84.8	Confident	103 Å²	103	74.5 Å²	74.5	39%	0.389	38%	0.378	S	S	.	.			trans	-124.6	72.2	174.6	-71.1	166.6	176.4	81.8	-9.1	110.7	N623 Y627 K635 Y636 I637	N623-R625 PolarHBondContact O-N 2.83Å; N623-R625 PolarHBondContact O-NH1 2.95Å; N623-R625 PolarHBondContact OD1-NH1 2.84Å; N623-R625 PolarHBondContact OD1-NH2 2.61Å; R625-Y627 VanDerWaalsContact C-N 3.32Å; R625-Y627 PolarHBondContact O-N 3.01Å; R625-K635 HydrophobicContact CB-CB 3.56Å; R625-K635 HydrophobicContact CG-CB 4.46Å; R625-Y636 CarbonylContact C-O 3.51Å; R625-Y636 VanDerWaalsContact C-O 3.25Å; R625-Y636 VanDerWaalsContact CA-O 3.29Å; R625-Y636 WeakPolarHBondContact CA-O 3.32Å; R625-I637 HydrophobicContact CG-CD1 4.43Å; R625-I637 HydrophobicContact CG-CG1 3.55Å
626	P	84.7	Confident	84.8	Confident	45 Å²	45	71 Å²	71	29%	0.292	36%	0.361	S	S	.	.			trans	-69.8	-27.2	-172.2	-19.1	33.9	0	0	0	113.7	I628 N665	P626-I628 PolarHBondContact O-N 3.2Å; P626-N665 PolarHBondContact O-OD1 3.33Å
627	Y	84.5	Confident	84.7	Confident	34 Å²	34	69.5 Å²	69.5	13%	0.133	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	93.9	-172.6	-54	-75.4	0	0	0	110.1	R619 R625 Y636 I637 P639 N665	R619-Y627 PolarHBondContact NH1-OH 3.29Å; R625-Y627 VanDerWaalsContact C-N 3.32Å; R625-Y627 PolarHBondContact O-N 3.01Å; Y627-Y636 WeakPolarHBondContact CD2-O 3.13Å; Y627-Y636 PolarHBondContact N-O 3.36Å; Y627-Y636 VanDerWaalsContact N-O 3.13Å; Y627-Y636 WeakPolarHBondContact O-CB 3.39Å; Y627-Y636 WeakPolarHBondContact O-CD2 3.18Å; Y627-Y636 PolarHBondContact O-N 3.12Å; Y627-I637 WeakPolarHBondContact CE2-O 3.44Å; Y627-P639 HydrophobicContact CD1-CB 4.12Å; Y627-P639 HydrophobicContact CE1-CB 4.03Å; Y627-P639 HydrophobicContact CE1-CG 4.45Å; Y627-P639 HydrophobicContact CG-CB 4.48Å; Y627-N665 HydrophobicContact CD1-CB 3.79Å; Y627-N665 HydrophobicContact CE1-CB 3.71Å
628	I	84.4	Confident	84.5	Confident	67 Å²	67	69.4 Å²	69.4	34%	0.344	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.2	-179.6	-49	-175.5	0	0	0	110.1	P626 K635	P626-I628 PolarHBondContact O-N 3.2Å; I628-K635 HydrophobicContact CD1-CD 4.35Å; I628-K635 HydrophobicContact CD1-CG 4.36Å; I628-K635 HydrophobicContact CG1-CB 4.48Å; I628-K635 HydrophobicContact CG1-CG 4.08Å; I628-K635 HydrophobicContact CG2-CG 4.46Å
629	C	85.2	Confident	84.3	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.36	C	S	.	.			trans	-79.5	116.7	168.2	-175.5	0	0	0	0	111	T631 C632 N633 K634 L642 H645 W646	C629-T631 VanDerWaalsContact C-N 3.25Å; C629-T631 PolarHBondContact O-N 3.02Å; C629-C632 PolarHBondContact O-N 2.89Å; C629-N633 VanDerWaalsContact O-CA 3.28Å; C629-N633 WeakPolarHBondContact O-CA 3.41Å; C629-N633 PolarHBondContact O-N 2.81Å; C629-K634 PolarHBondContact N-O 3.13Å; C629-L642 HydrophobicContact CB-CD1 3.61Å; C629-H645 WeakPolarHBondContact CB-NE2 3.41Å; C629-H645 PolarHBondContact SG-NE2 2.96Å; C629-W646 PolarHBondContact SG-NE1 2.85Å
630	A	81.1	Confident	84	Confident	71 Å²	71	71 Å²	71	59%	0.587	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.7	-179.8	0	0	0	0	0	113.8	C632	A630-C632 PolarHBondContact O-N 3.44Å
631	T	81.8	Confident	84	Confident	86 Å²	86	67.2 Å²	67.2	53%	0.528	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.1	-176.1	-31.7	0	0	0	0	114.6	C629 C651	C629-T631 VanDerWaalsContact C-N 3.25Å; C629-T631 PolarHBondContact O-N 3.02Å; T631-C651 HydrophobicContact CG2-CB 4.29Å
632	C	85.4	Confident	84.1	Confident	42 Å²	42	64.1 Å²	64.1	28%	0.284	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	9.2	-174.5	75.1	0	0	0	0	115	C629 A630 K634 H645	C629-C632 PolarHBondContact O-N 2.89Å; A630-C632 PolarHBondContact O-N 3.44Å; C632-K634 PolarHBondContact O-N 2.93Å; C632-H645 PolarHBondContact SG-CE1 3.4Å; C632-H645 PolarHBondContact SG-NE2 3.18Å
633	N	83.8	Confident	84.1	Confident	115 Å²	115	66.8 Å²	66.8	62%	0.615	35%	0.351	S	S	*	.			trans	53.5	10	179	-66.7	-43.7	0	0	0	117.3	C629 K635	C629-N633 VanDerWaalsContact O-CA 3.28Å; C629-N633 WeakPolarHBondContact O-CA 3.41Å; C629-N633 PolarHBondContact O-N 2.81Å; N633-K635 WeakPolarHBondContact O-CG 3.36Å; N633-K635 PolarHBondContact O-N 3.44Å
634	K	85.5	Confident	84.3	Confident	123 Å²	123	64.2 Å²	64.2	54%	0.535	34%	0.339	S	S	.	.			trans	-65	129.8	173.6	-68.5	178.4	-176.1	176.8	0	110.1	C629 C632 Y636	C629-K634 PolarHBondContact N-O 3.13Å; C632-K634 PolarHBondContact O-N 2.93Å; K634-Y636 HydrophobicContact CB-CE2 3.74Å; K634-Y636 WeakPolarHBondContact O-CD2 3.43Å; K634-Y636 WeakPolarHBondContact O-CE2 3.35Å
635	K	88.2	Confident	84.4	Confident	129 Å²	129	60.5 Å²	60.5	56%	0.561	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.9	-172	-47.1	-172.6	-179.1	176.3	0	111.1	R625 I628 N633	R625-K635 HydrophobicContact CB-CB 3.56Å; R625-K635 HydrophobicContact CG-CB 4.46Å; I628-K635 HydrophobicContact CD1-CD 4.35Å; I628-K635 HydrophobicContact CD1-CG 4.36Å; I628-K635 HydrophobicContact CG1-CB 4.48Å; I628-K635 HydrophobicContact CG1-CG 4.08Å; I628-K635 HydrophobicContact CG2-CG 4.46Å; N633-K635 WeakPolarHBondContact O-CG 3.36Å; N633-K635 PolarHBondContact O-N 3.44Å
636	Y	85.8	Confident	84.4	Confident	55 Å²	55	56.4 Å²	56.4	22%	0.216	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.9	-175.2	-62.1	-86.9	0	0	0	112.6	R625 Y627 K634 L642 H645	R625-Y636 CarbonylContact C-O 3.51Å; R625-Y636 VanDerWaalsContact C-O 3.25Å; R625-Y636 VanDerWaalsContact CA-O 3.29Å; R625-Y636 WeakPolarHBondContact CA-O 3.32Å; Y627-Y636 WeakPolarHBondContact CD2-O 3.13Å; Y627-Y636 PolarHBondContact N-O 3.36Å; Y627-Y636 VanDerWaalsContact N-O 3.13Å; Y627-Y636 WeakPolarHBondContact O-CB 3.39Å; Y627-Y636 WeakPolarHBondContact O-CD2 3.18Å; Y627-Y636 PolarHBondContact O-N 3.12Å; K634-Y636 HydrophobicContact CB-CE2 3.74Å; K634-Y636 WeakPolarHBondContact O-CD2 3.43Å; K634-Y636 WeakPolarHBondContact O-CE2 3.35Å; Y636-L642 HydrophobicContact CD2-CB 4.15Å; Y636-L642 HydrophobicContact CD2-CD1 3.89Å; Y636-L642 HydrophobicContact CE2-CD1 4.16Å; Y636-L642 HydrophobicContact CG-CB 4.36Å; Y636-H645 HydrophobicContact CE1-CB 4.15Å; Y636-H645 HydrophobicContact CE2-CB 4Å; Y636-H645 AromaticContact CE2-CD2 3.86Å; Y636-H645 AromaticContact CE2-CG 3.93Å; Y636-H645 AromaticContact CZ-CG 3.72Å; Y636-H645 WeakPolarHBondContact OH-CB 3.35Å; Y636-H645 VanDerWaalsContact OH-CG 3.22Å; Y636-H645 PolarHBondContact OH-ND1 3.15Å
637	I	86	Confident	84.2	Confident	30 Å²	30	61 Å²	61	15%	0.154	32%	0.318	C	S	.	.	S	Bend	trans	-77.7	-29.6	-179.4	-56.8	-178.4	0	0	0	111.7	L616 R619 L620 R625 Y627	L616-I637 HydrophobicContact CD1-CG2 4.05Å; L616-I637 VanDerWaalsContact CD1-O 3.3Å; L616-I637 WeakPolarHBondContact CD1-O 3.43Å; R619-I637 HydrophobicContact CB-CG2 3.54Å; L620-I637 HydrophobicContact CD2-CD1 3.49Å; L620-I637 VanDerWaalsContact CD2-CD1 3.49Å; L620-I637 HydrophobicContact CG-CD1 4.23Å; R625-I637 HydrophobicContact CG-CD1 4.43Å; R625-I637 HydrophobicContact CG-CG1 3.55Å; Y627-I637 WeakPolarHBondContact CE2-O 3.44Å
638	S	84.7	Confident	84	Confident	23 Å²	23	61.1 Å²	61.1	16%	0.161	32%	0.322	C	S	.	.	S	Bend	trans	-126	149.9	-177.7	85.4	0	0	0	0	112.1	S640 G641 L642	S638-S640 PolarHBondContact O-N 3.46Å; S638-S640 PolarHBondContact OG-N 3.4Å; S638-G641 PolarHBondContact O-N 2.86Å; S638-G641 VanDerWaalsContact O-N 3.13Å; S638-G641 PolarHBondContact OG-N 3.15Å; S638-L642 PolarHBondContact O-N 3.37Å
639	P	82.5	Confident	83.4	Confident	65 Å²	65	60.2 Å²	60.2	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-24	174.5	30.1	-34.6	0	0	0	111.6	Y627 R643	Y627-P639 HydrophobicContact CD1-CB 4.12Å; Y627-P639 HydrophobicContact CE1-CB 4.03Å; Y627-P639 HydrophobicContact CE1-CG 4.45Å; Y627-P639 HydrophobicContact CG-CB 4.48Å; P639-R643 WeakPolarHBondContact O-CB 3.49Å; P639-R643 PolarHBondContact O-N 2.96Å
640	S	82.5	Confident	82.8	Confident	82 Å²	82	66.1 Å²	66.1	57%	0.573	36%	0.361	S	S	*	.	H	α-helix	trans	-66.2	-37.3	171.5	-54.1	0	0	0	0	111.7	S638 R643 T644	S638-S640 PolarHBondContact O-N 3.46Å; S638-S640 PolarHBondContact OG-N 3.4Å; S640-R643 CarbonylContact O-C 3.19Å; S640-R643 PolarHBondContact O-N 2.74Å; S640-T644 PolarHBondContact O-N 2.51Å; S640-T644 PolarHBondContact O-OG1 3.13Å
641	G	84.7	Confident	82.2	Confident	14 Å²	14	63.9 Å²	63.9	14%	0.144	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-42.7	176.5	0	0	0	0	0	112.6	S638 R643 T644 H645	S638-G641 PolarHBondContact O-N 2.86Å; S638-G641 VanDerWaalsContact O-N 3.13Å; S638-G641 PolarHBondContact OG-N 3.15Å; G641-R643 VanDerWaalsContact C-N 3.35Å; G641-T644 VanDerWaalsContact CA-OG1 3.27Å; G641-T644 WeakPolarHBondContact CA-OG1 3.44Å; G641-T644 PolarHBondContact O-N 3.19Å; G641-T644 PolarHBondContact O-OG1 3.47Å; G641-H645 PolarHBondContact O-N 2.89Å
642	L	87.3	Confident	81.4	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-40.8	171.2	-178.7	57.8	0	0	0	111.4	C629 Y636 S638 H645 W646	C629-L642 HydrophobicContact CB-CD1 3.61Å; Y636-L642 HydrophobicContact CD2-CB 4.15Å; Y636-L642 HydrophobicContact CD2-CD1 3.89Å; Y636-L642 HydrophobicContact CE2-CD1 4.16Å; Y636-L642 HydrophobicContact CG-CB 4.36Å; S638-L642 PolarHBondContact O-N 3.37Å; L642-H645 WeakPolarHBondContact O-CB 3.23Å; L642-H645 PolarHBondContact O-N 2.91Å; L642-W646 HydrophobicContact CD1-CD2 4.32Å; L642-W646 HydrophobicContact CD1-CZ2 3.82Å; L642-W646 HydrophobicContact CD2-CH2 3.83Å; L642-W646 HydrophobicContact CD2-CZ2 3.55Å; L642-W646 HydrophobicContact CG-CD2 4.11Å; L642-W646 HydrophobicContact CG-CE3 4.47Å; L642-W646 HydrophobicContact CG-CH2 3.97Å; L642-W646 HydrophobicContact CG-CZ2 3.53Å; L642-W646 HydrophobicContact CG-CZ3 4.41Å; L642-W646 VanDerWaalsContact O-CG 3.31Å; L642-W646 PolarHBondContact O-N 3.08Å
643	R	83.4	Confident	80.3	Confident	131 Å²	131	66.5 Å²	66.5	49%	0.494	34%	0.343	S	S	.	.	H	α-helix	trans	-73.1	-22.8	175.8	-166.2	-176.6	-63.5	-179.8	-1.7	114.4	P639 S640 G641 R647	P639-R643 WeakPolarHBondContact O-CB 3.49Å; P639-R643 PolarHBondContact O-N 2.96Å; S640-R643 CarbonylContact O-C 3.19Å; S640-R643 PolarHBondContact O-N 2.74Å; G641-R643 VanDerWaalsContact C-N 3.35Å; R643-R647 WeakPolarHBondContact O-CG 3.16Å; R643-R647 PolarHBondContact O-NE 2.89Å
644	T	83	Confident	79.1	Confident	43 Å²	43	64.1 Å²	64.1	26%	0.264	34%	0.335	S	S	.	.	H	α-helix	trans	-71.8	-45.7	166.1	39.8	0	0	0	0	109.9	F23 S640 G641 W646 R647 T648	F23-T644 HydrophobicContact CE1-CG2 3.96Å; F23-T644 HydrophobicContact CZ-CG2 4.05Å; S640-T644 PolarHBondContact O-N 2.51Å; S640-T644 PolarHBondContact O-OG1 3.13Å; G641-T644 VanDerWaalsContact CA-OG1 3.27Å; G641-T644 WeakPolarHBondContact CA-OG1 3.44Å; G641-T644 PolarHBondContact O-N 3.19Å; G641-T644 PolarHBondContact O-OG1 3.47Å; T644-W646 PolarHBondContact O-N 3.5Å; T644-R647 WeakPolarHBondContact O-CA 3.31Å; T644-R647 PolarHBondContact O-N 2.88Å; T644-T648 WeakPolarHBondContact O-CG2 3.42Å; T644-T648 PolarHBondContact O-N 2.86Å; T644-T648 PolarHBondContact O-OG1 3.01Å
645	H	84	Confident	77.8	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-55.9	-46.4	177.3	166.5	58.1	0	0	0	113.2	C629 C632 Y636 G641 L642 R647 T648 T649	C629-H645 WeakPolarHBondContact CB-NE2 3.41Å; C629-H645 PolarHBondContact SG-NE2 2.96Å; C632-H645 PolarHBondContact SG-CE1 3.4Å; C632-H645 PolarHBondContact SG-NE2 3.18Å; Y636-H645 HydrophobicContact CE1-CB 4.15Å; Y636-H645 HydrophobicContact CE2-CB 4Å; Y636-H645 AromaticContact CE2-CD2 3.86Å; Y636-H645 AromaticContact CE2-CG 3.93Å; Y636-H645 AromaticContact CZ-CG 3.72Å; Y636-H645 WeakPolarHBondContact OH-CB 3.35Å; Y636-H645 VanDerWaalsContact OH-CG 3.22Å; Y636-H645 PolarHBondContact OH-ND1 3.15Å; G641-H645 PolarHBondContact O-N 2.89Å; L642-H645 WeakPolarHBondContact O-CB 3.23Å; L642-H645 PolarHBondContact O-N 2.91Å; H645-R647 PolarHBondContact O-N 3.1Å; H645-T648 PolarHBondContact O-N 2.86Å; H645-T648 PolarHBondContact O-OG1 3.35Å; H645-T649 PolarHBondContact CE1-OG1 2.97Å; H645-T649 PolarHBondContact ND1-OG1 3.23Å; H645-T649 VanDerWaalsContact ND1-OG1 3.15Å; H645-T649 PolarHBondContact O-N 3.46Å; H645-T649 PolarHBondContact O-OG1 3.35Å
646	W	84.5	Confident	75.9	Confident	17 Å²	17	64.6 Å²	64.6	6%	0.064	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-12.6	174.9	-63.2	-22.8	0	0	0	115.3	C629 L642 T644 P653 F658 V662	C629-W646 PolarHBondContact SG-NE1 2.85Å; L642-W646 HydrophobicContact CD1-CD2 4.32Å; L642-W646 HydrophobicContact CD1-CZ2 3.82Å; L642-W646 HydrophobicContact CD2-CH2 3.83Å; L642-W646 HydrophobicContact CD2-CZ2 3.55Å; L642-W646 HydrophobicContact CG-CD2 4.11Å; L642-W646 HydrophobicContact CG-CE3 4.47Å; L642-W646 HydrophobicContact CG-CH2 3.97Å; L642-W646 HydrophobicContact CG-CZ2 3.53Å; L642-W646 HydrophobicContact CG-CZ3 4.41Å; L642-W646 VanDerWaalsContact O-CG 3.31Å; L642-W646 PolarHBondContact O-N 3.08Å; T644-W646 PolarHBondContact O-N 3.5Å; W646-P653 HydrophobicContact CD2-CG 3.8Å; W646-P653 HydrophobicContact CE3-CG 4.23Å; W646-P653 HydrophobicContact CG-CG 4.31Å; W646-P653 HydrophobicContact CH2-CG 3.96Å; W646-P653 HydrophobicContact CZ2-CG 3.48Å; W646-P653 VanDerWaalsContact CZ2-CG 3.48Å; W646-P653 HydrophobicContact CZ3-CG 4.31Å; W646-F658 HydrophobicContact CE3-CD2 4.04Å; W646-F658 AromaticContact CE3-CE2 3.57Å; W646-F658 HydrophobicContact CE3-CE2 3.57Å; W646-F658 HydrophobicContact CE3-CZ 4.45Å; W646-F658 HydrophobicContact CH2-CD2 4.38Å; W646-F658 HydrophobicContact CH2-CE2 4.48Å; W646-F658 AromaticContact CZ3-CD2 3.72Å; W646-F658 HydrophobicContact CZ3-CD2 3.72Å; W646-F658 AromaticContact CZ3-CE2 3.44Å; W646-F658 HydrophobicContact CZ3-CE2 3.44Å; W646-F658 VanDerWaalsContact CZ3-CE2 3.44Å; W646-F658 HydrophobicContact CZ3-CZ 4.11Å; W646-V662 HydrophobicContact CH2-CG2 4.46Å
647	R	80.7	Confident	74.2	Confident	141 Å²	141	66.2 Å²	66.2	53%	0.532	37%	0.365	S	S	.	.	H	α-helix	trans	-99.1	-26.8	173.3	-74.4	-177.6	-70	153.2	-0.6	112.8	R643 T644 H645	R643-R647 WeakPolarHBondContact O-CG 3.16Å; R643-R647 PolarHBondContact O-NE 2.89Å; T644-R647 WeakPolarHBondContact O-CA 3.31Å; T644-R647 PolarHBondContact O-N 2.88Å; H645-R647 PolarHBondContact O-N 3.1Å
648	T	80	Confident	72.4	Confident	36 Å²	36	69 Å²	69	22%	0.221	38%	0.376	C	S	.	.	H	α-helix	trans	-97.4	-9.6	-177.1	60	0	0	0	0	114.1	Y67 P69 T644 H645	Y67-T648 HydrophobicContact CD1-CG2 4.31Å; Y67-T648 VanDerWaalsContact CE1-CB 3.48Å; Y67-T648 HydrophobicContact CE1-CG2 3.47Å; Y67-T648 VanDerWaalsContact CE1-CG2 3.47Å; Y67-T648 PolarHBondContact OH-O 2.99Å; P69-T648 HydrophobicContact CB-CG2 4.39Å; P69-T648 HydrophobicContact CG-CG2 4.1Å; T644-T648 WeakPolarHBondContact O-CG2 3.42Å; T644-T648 PolarHBondContact O-N 2.86Å; T644-T648 PolarHBondContact O-OG1 3.01Å; H645-T648 PolarHBondContact O-N 2.86Å; H645-T648 PolarHBondContact O-OG1 3.35Å
649	T	72.3	Confident	70.6	Confident	48 Å²	48	70.4 Å²	70.4	29%	0.294	39%	0.386	S	S	.	.	S	Bend	trans	-133.5	157.4	178.8	66	0	0	0	0	110.7	H645 C651	H645-T649 PolarHBondContact CE1-OG1 2.97Å; H645-T649 PolarHBondContact ND1-OG1 3.23Å; H645-T649 VanDerWaalsContact ND1-OG1 3.15Å; H645-T649 PolarHBondContact O-N 3.46Å; H645-T649 PolarHBondContact O-OG1 3.35Å; T649-C651 PolarHBondContact O-N 2.88Å; T649-C651 WeakPolarHBondContact OG1-CB 3.3Å
650	S	72.9	Confident	68.8	Low	125 Å²	125	73.6 Å²	73.6	87%	0.874	39%	0.394	S	S	*	.	S	Bend	trans	-63.8	-3.9	175.3	-41.8	0	0	0	0	114	K652	S650-K652 PolarHBondContact O-N 3.17Å
651	C	67.5	Low	67.1	Low	23 Å²	23	71 Å²	71	16%	0.155	38%	0.376	C	S	.	.			trans	-72.3	50.4	176.9	-55.5	0	0	0	0	112.9	T631 T649	T631-C651 HydrophobicContact CG2-CB 4.29Å; T649-C651 PolarHBondContact O-N 2.88Å; T649-C651 WeakPolarHBondContact OG1-CB 3.3Å
652	K	64.6	Low	65.4	Low	157 Å²	157	72.7 Å²	72.7	68%	0.683	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-73.1	129.1	170	-68.8	177.4	-178.4	174.6	0	108.6	S650	S650-K652 PolarHBondContact O-N 3.17Å
653	P	63.1	Low	63.5	Low	27 Å²	27	78.1 Å²	78.1	18%	0.175	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-61	149.2	166.1	-18.5	31.3	0	0	0	110	W646 L657 F658	W646-P653 HydrophobicContact CD2-CG 3.8Å; W646-P653 HydrophobicContact CE3-CG 4.23Å; W646-P653 HydrophobicContact CG-CG 4.31Å; W646-P653 HydrophobicContact CH2-CG 3.96Å; W646-P653 HydrophobicContact CZ2-CG 3.48Å; W646-P653 VanDerWaalsContact CZ2-CG 3.48Å; W646-P653 HydrophobicContact CZ3-CG 4.31Å; P653-L657 HydrophobicContact CB-CB 3.97Å; P653-F658 HydrophobicContact CB-CB 4.37Å; P653-F658 HydrophobicContact CG-CD2 4.21Å
654	S	59.2	Low	61.8	Low	64 Å²	64	75.3 Å²	75.3	45%	0.448	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-58.2	157.1	159.2	57.4	0	0	0	0	109.9	E656 L657 F658	S654-E656 PolarHBondContact O-N 3.3Å; S654-E656 VanDerWaalsContact O-N 3.13Å; S654-L657 PolarHBondContact O-N 2.98Å; S654-L657 VanDerWaalsContact O-N 3.09Å; S654-L657 WeakPolarHBondContact OG-CG 3.42Å; S654-F658 PolarHBondContact O-N 3.03Å; S654-F658 VanDerWaalsContact O-N 3.15Å
655	S	57.4	Low	60.2	Low	109 Å²	109	74.7 Å²	74.7	76%	0.762	40%	0.4	S	S	*	.	H	α-helix	trans	-49.4	-39.6	-179.5	41.5	0	0	0	0	112.9
656	E	47.5	Very low	58.3	Low	153 Å²	153	84.1 Å²	84.1	72%	0.715	44%	0.435	S	S	*	.	H	α-helix	trans	-71.9	-40.8	-179.7	-52.5	-165.7	145.4	0	0	113	S654 F658 S659 F660	S654-E656 PolarHBondContact O-N 3.3Å; S654-E656 VanDerWaalsContact O-N 3.13Å; E656-F658 VanDerWaalsContact C-N 3.27Å; E656-F658 PolarHBondContact O-N 2.82Å; E656-S659 PolarHBondContact O-OG 3.48Å; E656-F660 PolarHBondContact O-N 2.92Å
657	L	51.1	Low	56.1	Low	89 Å²	89	91.3 Å²	91.3	47%	0.466	47%	0.469	S	S	.	.	H	α-helix	trans	-70.5	-23.4	178	-68.8	177.6	0	0	0	112.7	P653 S654 S661	P653-L657 HydrophobicContact CB-CB 3.97Å; S654-L657 PolarHBondContact O-N 2.98Å; S654-L657 VanDerWaalsContact O-N 3.09Å; S654-L657 WeakPolarHBondContact OG-CG 3.42Å; L657-S661 WeakPolarHBondContact O-CB 3.16Å; L657-S661 PolarHBondContact O-N 2.93Å
658	F	47.2	Very low	54.1	Low	88 Å²	88	95.9 Å²	95.9	39%	0.386	49%	0.486	S	S	.	.	H	α-helix	trans	-67.9	-36.3	179.4	-164.3	-85.2	0	0	0	112.7	W646 P653 S654 E656 V662	W646-F658 HydrophobicContact CE3-CD2 4.04Å; W646-F658 AromaticContact CE3-CE2 3.57Å; W646-F658 HydrophobicContact CE3-CE2 3.57Å; W646-F658 HydrophobicContact CE3-CZ 4.45Å; W646-F658 HydrophobicContact CH2-CD2 4.38Å; W646-F658 HydrophobicContact CH2-CE2 4.48Å; W646-F658 AromaticContact CZ3-CD2 3.72Å; W646-F658 HydrophobicContact CZ3-CD2 3.72Å; W646-F658 AromaticContact CZ3-CE2 3.44Å; W646-F658 HydrophobicContact CZ3-CE2 3.44Å; W646-F658 VanDerWaalsContact CZ3-CE2 3.44Å; W646-F658 HydrophobicContact CZ3-CZ 4.11Å; P653-F658 HydrophobicContact CB-CB 4.37Å; P653-F658 HydrophobicContact CG-CD2 4.21Å; S654-F658 PolarHBondContact O-N 3.03Å; S654-F658 VanDerWaalsContact O-N 3.15Å; E656-F658 VanDerWaalsContact C-N 3.27Å; E656-F658 PolarHBondContact O-N 2.82Å; F658-V662 VanDerWaalsContact O-CG2 3.27Å; F658-V662 WeakPolarHBondContact O-CG2 3.45Å
659	S	47.1	Very low	52.8	Low	54 Å²	54	98.9 Å²	98.9	38%	0.378	50%	0.5	S	S	.	.	H	α-helix	trans	-72	-51.4	173.9	64	0	0	0	0	110.4	E656 S661 V662 M663	E656-S659 PolarHBondContact O-OG 3.48Å; S659-S661 PolarHBondContact O-N 3.2Å; S659-V662 PolarHBondContact O-N 3.15Å; S659-M663 WeakPolarHBondContact O-CB 3.48Å; S659-M663 WeakPolarHBondContact O-CG 3.4Å; S659-M663 PolarHBondContact O-N 3.28Å
660	F	45.1	Very low	51.8	Low	132 Å²	132	101.5 Å²	101.5	58%	0.579	51%	0.51	S	S	*	.	H	α-helix	trans	-58.5	-48.2	-177.3	-118.2	-92.1	0	0	0	113	E656 V662 M663 N664	E656-F660 PolarHBondContact O-N 2.92Å; F660-V662 VanDerWaalsContact C-N 3.29Å; F660-V662 PolarHBondContact O-N 3.19Å; F660-M663 PolarHBondContact O-N 3.48Å; F660-N664 WeakPolarHBondContact O-CB 3.41Å; F660-N664 PolarHBondContact O-N 2.67Å
661	S	46.6	Very low	50.7	Low	27 Å²	27	100.2 Å²	100.2	19%	0.189	49%	0.49	C	S	.	.	H	α-helix	trans	-62.3	-35.3	179.5	-175.7	0	0	0	0	112.6	L657 S659 N665	L657-S661 WeakPolarHBondContact O-CB 3.16Å; L657-S661 PolarHBondContact O-N 2.93Å; S659-S661 PolarHBondContact O-N 3.2Å; S661-N665 WeakPolarHBondContact O-CB 3.15Å; S661-N665 PolarHBondContact O-N 3.11Å; S661-N665 PolarHBondContact O-ND2 3.16Å
662	V	50.1	Low	49.7	Very low	50 Å²	50	104.8 Å²	104.8	30%	0.303	51%	0.51	S	S	.	.	H	α-helix	trans	-83.1	-25	180	177	0	0	0	0	112.4	W646 F658 S659 F660 R666	W646-V662 HydrophobicContact CH2-CG2 4.46Å; F658-V662 VanDerWaalsContact O-CG2 3.27Å; F658-V662 WeakPolarHBondContact O-CG2 3.45Å; S659-V662 PolarHBondContact O-N 3.15Å; F660-V662 VanDerWaalsContact C-N 3.29Å; F660-V662 PolarHBondContact O-N 3.19Å; V662-R666 WeakPolarHBondContact O-CD 3.38Å; V662-R666 WeakPolarHBondContact O-CG 3.44Å
663	M	47	Very low	48.7	Very low	118 Å²	118	101.5 Å²	101.5	58%	0.581	50%	0.499	S	S	*	.	H	α-helix	trans	-81.4	-46.4	175.4	-70.9	-176.2	-175.9	0	0	112.5	S659 F660 N665 R666 Q667	S659-M663 WeakPolarHBondContact O-CB 3.48Å; S659-M663 WeakPolarHBondContact O-CG 3.4Å; S659-M663 PolarHBondContact O-N 3.28Å; F660-M663 PolarHBondContact O-N 3.48Å; M663-N665 VanDerWaalsContact C-N 3.31Å; M663-N665 PolarHBondContact O-N 3.14Å; M663-R666 WeakPolarHBondContact O-CA 3.27Å; M663-R666 WeakPolarHBondContact O-CB 3.36Å; M663-R666 PolarHBondContact O-N 3.29Å; M663-Q667 PolarHBondContact O-N 3.15Å
664	N	46.8	Very low	47.8	Very low	72 Å²	72	106.5 Å²	106.5	39%	0.385	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-38.9	179.4	-71.9	0.7	0	0	0	111.6	F660 R666 Q667 R668	F660-N664 WeakPolarHBondContact O-CB 3.41Å; F660-N664 PolarHBondContact O-N 2.67Å; N664-R666 PolarHBondContact O-N 3.21Å; N664-R666 VanDerWaalsContact O-N 3.13Å; N664-Q667 PolarHBondContact O-N 2.69Å; N664-R668 PolarHBondContact O-N 3.37Å; N664-R668 VanDerWaalsContact O-N 3.11Å
665	N	49.1	Very low	47	Very low	31 Å²	31	109.5 Å²	109.5	17%	0.166	53%	0.526	C	S	.	.	H	α-helix	trans	-79.3	19.8	173.1	-66.4	-62.4	0	0	0	114.5	P626 Y627 S661 M663	P626-N665 PolarHBondContact O-OD1 3.33Å; Y627-N665 HydrophobicContact CD1-CB 3.79Å; Y627-N665 HydrophobicContact CE1-CB 3.71Å; S661-N665 WeakPolarHBondContact O-CB 3.15Å; S661-N665 PolarHBondContact O-N 3.11Å; S661-N665 PolarHBondContact O-ND2 3.16Å; M663-N665 VanDerWaalsContact C-N 3.31Å; M663-N665 PolarHBondContact O-N 3.14Å
666	R	44.7	Very low	46.2	Very low	205 Å²	205	109.5 Å²	109.5	77%	0.774	51%	0.508	S	S	*	.	H	α-helix	trans	-121.9	-14.1	164.7	-80.4	176.3	162.6	-173.5	-4.2	113.2	V662 M663 N664	V662-R666 WeakPolarHBondContact O-CD 3.38Å; V662-R666 WeakPolarHBondContact O-CG 3.44Å; M663-R666 WeakPolarHBondContact O-CA 3.27Å; M663-R666 WeakPolarHBondContact O-CB 3.36Å; M663-R666 PolarHBondContact O-N 3.29Å; N664-R666 PolarHBondContact O-N 3.21Å; N664-R666 VanDerWaalsContact O-N 3.13Å
667	Q	39.2	Very low	46.1	Very low	168 Å²	168	105.9 Å²	105.9	79%	0.785	49%	0.49	S	S	*	.	H	α-helix	trans	-94.5	-24.3	173.7	-69.6	179.2	-20.2	0	0	111.7	M663 N664	M663-Q667 PolarHBondContact O-N 3.15Å; N664-Q667 PolarHBondContact O-N 2.69Å
668	R	38.7	Very low	45.6	Very low	237 Å²	237	107.5 Å²	107.5	89%	0.894	49%	0.493	S	S	*	.			trans	-90.1	0	157.1	-60.8	-178.8	178.9	-172	-1.7	110.6	N664	N664-R668 PolarHBondContact O-N 3.37Å; N664-R668 VanDerWaalsContact O-N 3.11Å

Retrieved 668 of 668 residues in 293.3 ms (Link to these results)

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