A0A096MNN2_PAPAN Loading...

Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes.

AlphaFold DB , UniProt , Accession A0A096MNN2, Species PAPAN (Papio anubis, Olive baboon), Gene USP44, Length 712 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	28	Very low	54.9	Low	240 Å²	240	111.9 Å²	111.9	100%	1.182	59%	0.589	S	S	*	*				0	94	0	-74.8	173.1	109.2	0	0	108.1
2	L	26.8	Very low	55.6	Low	179 Å²	179	115.6 Å²	115.6	94%	0.937	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-100.8	121.1	168.2	-74.3	164.8	0	0	0	107
3	T	28	Very low	56.5	Low	121 Å²	121	108 Å²	108	74%	0.742	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-65.5	134.3	-175.8	42.4	0	0	0	0	110.4	D5	T3-D5 PolarHBondContact O-N 3.15Å
4	M	41.2	Very low	57.1	Low	141 Å²	141	116.4 Å²	116.4	70%	0.695	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-46.9	125.8	161.7	-66.4	169.3	107.2	0	0	107.7	K6	M4-K6 PolarHBondContact O-N 3.09Å
5	D	47.2	Very low	57.6	Low	125 Å²	125	111.8 Å²	111.8	67%	0.668	56%	0.56	S	S	*	*			trans	-67.1	83.8	172.1	-87	-28	0	0	0	107.8	T3 K365	T3-D5 PolarHBondContact O-N 3.15Å; D5-K365 IonicContact OD2-NZ 3.07Å
6	K	62.2	Low	57.8	Low	140 Å²	140	106.9 Å²	106.9	61%	0.609	54%	0.542	S	S	*	.			trans	-62.7	138.5	170.6	-68.6	-179	179	-176.5	0	107.6	M4 K8 N88	M4-K6 PolarHBondContact O-N 3.09Å; K6-K8 PolarHBondContact O-N 3.22Å; K6-N88 HydrophobicContact CB-CB 4.25Å; K6-N88 HydrophobicContact CD-CB 4.47Å; K6-N88 HydrophobicContact CG-CB 4.11Å
7	C	72.6	Confident	57.7	Low	12 Å²	12	110.9 Å²	110.9	8%	0.081	56%	0.558	C	S	.	*			trans	-59.8	110.3	172.1	176.9	0	0	0	0	108.8	H9 V10 C79 C82 V86 N88	C7-H9 VanDerWaalsContact C-N 3.26Å; C7-H9 PolarHBondContact O-N 3.23Å; C7-V10 HydrophobicContact CB-CG2 4.02Å; C7-V10 PolarHBondContact O-N 3.32Å; C7-C79 VanDerWaalsContact SG-SG 3.69Å; C7-C82 VanDerWaalsContact SG-SG 3.65Å; C7-V86 HydrophobicContact CB-CG1 4.38Å; C7-V86 HydrophobicContact CB-CG2 4.04Å; C7-N88 WeakPolarHBondContact CB-OD1 3.21Å; C7-N88 PolarHBondContact N-OD1 3.18Å; C7-N88 PolarHBondContact O-ND2 3Å
8	K	78.3	Confident	57.6	Low	159 Å²	159	110.8 Å²	110.8	69%	0.691	56%	0.559	S	S	*	*	H	α-helix	trans	-68.7	-28.5	-178.4	-63	179.8	-176.7	174.7	0	111.6	K6 V10 G11 Q12	K6-K8 PolarHBondContact O-N 3.22Å; K8-V10 PolarHBondContact O-N 3.26Å; K8-G11 PolarHBondContact O-N 3.24Å; K8-G11 VanDerWaalsContact O-N 3.13Å; K8-Q12 PolarHBondContact O-N 3.36Å
9	H	80.1	Confident	57.9	Low	54 Å²	54	106.4 Å²	106.4	25%	0.25	54%	0.537	C	S	.	.	H	α-helix	trans	-65.9	-23.7	179	-47.9	114	0	0	0	112.7	C7 L13 P67 V68 C79 C82	C7-H9 VanDerWaalsContact C-N 3.26Å; C7-H9 PolarHBondContact O-N 3.23Å; H9-L13 PolarHBondContact O-N 3.09Å; H9-P67 HydrophobicContact CB-CG 4.44Å; H9-V68 HydrophobicContact CB-CG2 4.22Å; H9-C79 PolarHBondContact ND1-SG 2.82Å; H9-C79 VanDerWaalsContact ND1-SG 3.39Å; H9-C82 VanDerWaalsContact CE1-SG 3.52Å; H9-C82 PolarHBondContact ND1-SG 3.01Å
10	V	74.5	Confident	58	Low	0 Å²	0	101.5 Å²	101.5	0%	0	51%	0.513	C	S	.	.	H	α-helix	trans	-80.1	-30.4	176.4	172.6	0	0	0	0	111.5	C7 K8 Q12 L13 V68 V86 N90 L95	C7-V10 HydrophobicContact CB-CG2 4.02Å; C7-V10 PolarHBondContact O-N 3.32Å; K8-V10 PolarHBondContact O-N 3.26Å; V10-Q12 PolarHBondContact O-N 3.16Å; V10-L13 VanDerWaalsContact O-CB 3.3Å; V10-L13 WeakPolarHBondContact O-CB 3.16Å; V10-L13 PolarHBondContact O-N 3.26Å; V10-V68 HydrophobicContact CG2-CG1 4.34Å; V10-V68 HydrophobicContact CG2-CG2 4.25Å; V10-V86 HydrophobicContact CB-CG1 4.11Å; V10-V86 HydrophobicContact CG1-CG1 4.11Å; V10-V86 HydrophobicContact CG2-CB 4.01Å; V10-V86 HydrophobicContact CG2-CG1 3.29Å; V10-V86 HydrophobicContact CG2-CG2 3.55Å; V10-N90 HydrophobicContact CG1-CB 4.09Å; V10-N90 VanDerWaalsContact O-CB 3.32Å; V10-N90 WeakPolarHBondContact O-CB 3.49Å; V10-L95 HydrophobicContact CG1-CD1 3.43Å; V10-L95 VanDerWaalsContact CG1-CD1 3.43Å
11	G	64.8	Low	58.1	Low	60 Å²	60	96.8 Å²	96.8	62%	0.619	49%	0.489	S	S	*	.	H	α-helix	trans	-69.2	-22.9	173.3	0	0	0	0	0	113.6	K8	K8-G11 PolarHBondContact O-N 3.24Å; K8-G11 VanDerWaalsContact O-N 3.13Å
12	Q	64.1	Low	59.8	Low	156 Å²	156	87 Å²	87	73%	0.729	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-1.1	177.5	-66.3	176.6	-15	0	0	113.1	K8 V10 R14	K8-Q12 PolarHBondContact O-N 3.36Å; V10-Q12 PolarHBondContact O-N 3.16Å; Q12-R14 PolarHBondContact O-N 3.09Å
13	L	66.7	Low	61.9	Low	17 Å²	17	80.2 Å²	80.2	9%	0.089	41%	0.406	C	S	.	.			trans	-66.9	116.5	-175.7	-172.7	75	0	0	0	110.6	H9 V10 L15 L42 V68	H9-L13 PolarHBondContact O-N 3.09Å; V10-L13 VanDerWaalsContact O-CB 3.3Å; V10-L13 WeakPolarHBondContact O-CB 3.16Å; V10-L13 PolarHBondContact O-N 3.26Å; L13-L15 HydrophobicContact CD2-CD2 4.02Å; L13-L42 HydrophobicContact CD1-CB 3.77Å; L13-L42 HydrophobicContact CD2-CB 3.89Å; L13-L42 HydrophobicContact CD2-CD1 3.77Å; L13-L42 HydrophobicContact CD2-CG 4.49Å; L13-L42 HydrophobicContact CG-CB 4.36Å; L13-V68 HydrophobicContact CD1-CB 4.35Å
14	R	64.8	Low	63.9	Low	225 Å²	225	75.2 Å²	75.2	85%	0.849	38%	0.376	S	S	*	.			trans	-100	110.4	164.3	-69.8	-172.7	178.8	-170.3	0.9	108	Q12 A16	Q12-R14 PolarHBondContact O-N 3.09Å; R14-A16 PolarHBondContact O-N 2.72Å
15	L	65.1	Low	65.2	Low	48 Å²	48	73.1 Å²	73.1	25%	0.251	36%	0.364	S	S	.	.			trans	-60.5	120.4	172	-69.9	177.1	0	0	0	109.1	L13 H19 L42 D94 L98	L13-L15 HydrophobicContact CD2-CD2 4.02Å; L15-H19 WeakPolarHBondContact CA-NE2 3.33Å; L15-H19 WeakPolarHBondContact CB-NE2 3.44Å; L15-H19 WeakPolarHBondContact CD2-NE2 3.37Å; L15-L42 HydrophobicContact CD2-CB 4.31Å; L15-L42 HydrophobicContact CD2-CD2 4.27Å; L15-D94 HydrophobicContact CD1-CB 3.48Å; L15-D94 VanDerWaalsContact CD1-CB 3.48Å; L15-D94 HydrophobicContact CG-CB 4.48Å; L15-L98 HydrophobicContact CD1-CD1 4.48Å; L15-L98 HydrophobicContact CD2-CD1 4.47Å
16	A	60.6	Low	66.4	Low	34 Å²	34	72 Å²	72	28%	0.281	35%	0.353	S	S	.	.			trans	-56.1	147.6	170.5	0	0	0	0	0	111.2	R14 D18 H19	R14-A16 PolarHBondContact O-N 2.72Å; A16-D18 PolarHBondContact O-N 3.22Å; A16-H19 PolarHBondContact N-CE1 3.12Å; A16-H19 VanDerWaalsContact N-CE1 3.31Å; A16-H19 PolarHBondContact N-NE2 3.5Å; A16-H19 PolarHBondContact O-CD2 3.19Å; A16-H19 PolarHBondContact O-NE2 3.49Å
17	Q	56	Low	67.3	Low	174 Å²	174	67.5 Å²	67.5	81%	0.813	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.5	-173.7	-68.1	178.9	-2.3	0	0	113.4	R153	Q17-R153 PolarHBondContact O-NH2 3.43Å
18	D	56.1	Low	67.7	Low	109 Å²	109	69.9 Å²	69.9	58%	0.583	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.5	64	-177	-62.4	-42.5	0	0	0	112.4	A16 S20 S45 R153	A16-D18 PolarHBondContact O-N 3.22Å; D18-S20 PolarHBondContact O-N 3.49Å; D18-S45 VanDerWaalsContact O-CB 3.26Å; D18-S45 WeakPolarHBondContact O-CB 3.32Å; D18-R153 IonicContact OD1-NH2 2.78Å; D18-R153 PolarHBondContact OD1-NH2 3.29Å
19	H	63.8	Low	68	Low	27 Å²	27	62.3 Å²	62.3	13%	0.125	31%	0.309	C	S	.	.			trans	-74.6	122	174.8	-75.7	-60.4	0	0	0	112.8	L15 A16 S21 L42 C44	L15-H19 WeakPolarHBondContact CA-NE2 3.33Å; L15-H19 WeakPolarHBondContact CB-NE2 3.44Å; L15-H19 WeakPolarHBondContact CD2-NE2 3.37Å; A16-H19 PolarHBondContact N-CE1 3.12Å; A16-H19 VanDerWaalsContact N-CE1 3.31Å; A16-H19 PolarHBondContact N-NE2 3.5Å; A16-H19 PolarHBondContact O-CD2 3.19Å; A16-H19 PolarHBondContact O-NE2 3.49Å; H19-S21 PolarHBondContact O-N 2.64Å; H19-L42 VanDerWaalsContact CE1-C 3.46Å; H19-L42 PolarHBondContact CE1-O 2.84Å; H19-C44 PolarHBondContact ND1-O 3.16Å
20	S	60.1	Low	68.3	Low	9 Å²	9	64.1 Å²	64.1	6%	0.063	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-65.8	-13.6	169.7	-58.7	0	0	0	0	113.3	D18 L22 N23 K26 S45	D18-S20 PolarHBondContact O-N 3.49Å; S20-L22 PolarHBondContact O-N 2.91Å; S20-N23 PolarHBondContact O-N 3.01Å; S20-N23 VanDerWaalsContact O-N 3.09Å; S20-K26 WeakPolarHBondContact OG-CD 3.43Å; S20-S45 VanDerWaalsContact CB-O 3.25Å; S20-S45 WeakPolarHBondContact CB-O 3.07Å; S20-S45 PolarHBondContact OG-O 3.42Å
21	S	60.2	Low	68.8	Low	2 Å²	2	68.3 Å²	68.3	1%	0.014	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-58.5	-33.8	178.1	65.4	0	0	0	0	112.5	H19 W27 L102	H19-S21 PolarHBondContact O-N 2.64Å; S21-W27 PolarHBondContact O-NE1 3.3Å; S21-L102 WeakPolarHBondContact O-CD2 3.31Å
22	L	63.2	Low	69.7	Low	35 Å²	35	68 Å²	68	18%	0.183	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-90.2	0	-178.7	-62.4	176.2	0	0	0	113.4	S20 P24 T101 L102 I105 A149	S20-L22 PolarHBondContact O-N 2.91Å; L22-P24 WeakPolarHBondContact O-CD 3.44Å; L22-T101 HydrophobicContact CD2-CG2 3.74Å; L22-L102 HydrophobicContact CD2-CD2 4.15Å; L22-L102 HydrophobicContact CD2-CG 4.49Å; L22-I105 HydrophobicContact CD2-CD1 4.45Å; L22-A149 WeakPolarHBondContact O-CB 3.45Å
23	N	70.1	Confident	70.5	Confident	37 Å²	37	66 Å²	66	20%	0.198	33%	0.328	C	S	.	.			trans	-108.3	104.4	177.8	-174	-10.5	0	0	0	110.1	S20 Q25 K26 W27	S20-N23 PolarHBondContact O-N 3.01Å; S20-N23 VanDerWaalsContact O-N 3.09Å; N23-Q25 PolarHBondContact O-N 2.9Å; N23-Q25 WeakPolarHBondContact OD1-CB 3.15Å; N23-Q25 PolarHBondContact OD1-N 2.96Å; N23-Q25 VanDerWaalsContact OD1-N 3.07Å; N23-K26 HydrophobicContact CB-CB 4.47Å; N23-K26 HydrophobicContact CB-CD 4.38Å; N23-K26 HydrophobicContact CB-CG 4.29Å; N23-K26 PolarHBondContact O-N 2.88Å; N23-W27 PolarHBondContact O-NE1 3.22Å
24	P	69.7	Low	70.9	Confident	15 Å²	15	66.6 Å²	66.6	10%	0.097	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-55.2	-31.3	179.1	-26.9	36	0	0	0	114.4	L22 K26 W27 I105 Q145	L22-P24 WeakPolarHBondContact O-CD 3.44Å; P24-K26 PolarHBondContact O-N 3.11Å; P24-K26 VanDerWaalsContact O-N 3.08Å; P24-W27 HydrophobicContact CB-CD2 4.35Å; P24-W27 HydrophobicContact CG-CZ2 4.25Å; P24-W27 WeakPolarHBondContact O-CB 3.38Å; P24-W27 PolarHBondContact O-N 3.24Å; P24-W27 VanDerWaalsContact O-N 3.09Å; P24-I105 HydrophobicContact CG-CG2 3.81Å; P24-Q145 HydrophobicContact CG-CB 4.01Å
25	Q	68.7	Low	71.5	Confident	98 Å²	98	60.5 Å²	60.5	46%	0.458	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-64.6	-15.4	177.1	-61.3	-178.6	-20.6	0	0	112.9	N23 H28	N23-Q25 PolarHBondContact O-N 2.9Å; N23-Q25 WeakPolarHBondContact OD1-CB 3.15Å; N23-Q25 PolarHBondContact OD1-N 2.96Å; N23-Q25 VanDerWaalsContact OD1-N 3.07Å; Q25-H28 PolarHBondContact O-CE1 2.89Å; Q25-H28 PolarHBondContact O-ND1 3.4Å
26	K	73.6	Confident	71.7	Confident	100 Å²	100	64.7 Å²	64.7	44%	0.435	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-106.2	13.6	178.9	-60.4	-171.4	176.8	-173	0	113	S20 N23 P24 H28	S20-K26 WeakPolarHBondContact OG-CD 3.43Å; N23-K26 HydrophobicContact CB-CB 4.47Å; N23-K26 HydrophobicContact CB-CD 4.38Å; N23-K26 HydrophobicContact CB-CG 4.29Å; N23-K26 PolarHBondContact O-N 2.88Å; P24-K26 PolarHBondContact O-N 3.11Å; P24-K26 VanDerWaalsContact O-N 3.08Å; K26-H28 PolarHBondContact O-N 3.14Å
27	W	81.5	Confident	72.4	Confident	46 Å²	46	65.1 Å²	65.1	17%	0.174	34%	0.34	C	S	.	.			trans	-83.5	53	178.6	-65.6	3.2	0	0	0	112.1	S21 N23 P24 V72 L102 I105	S21-W27 PolarHBondContact O-NE1 3.3Å; N23-W27 PolarHBondContact O-NE1 3.22Å; P24-W27 HydrophobicContact CB-CD2 4.35Å; P24-W27 HydrophobicContact CG-CZ2 4.25Å; P24-W27 WeakPolarHBondContact O-CB 3.38Å; P24-W27 PolarHBondContact O-N 3.24Å; P24-W27 VanDerWaalsContact O-N 3.09Å; W27-V72 HydrophobicContact CD2-CG1 3.43Å; W27-V72 VanDerWaalsContact CD2-CG1 3.43Å; W27-V72 HydrophobicContact CE3-CG1 3.91Å; W27-V72 HydrophobicContact CG-CG1 3.89Å; W27-V72 HydrophobicContact CH2-CG1 3.97Å; W27-V72 HydrophobicContact CZ2-CG1 3.5Å; W27-V72 VanDerWaalsContact CZ2-CG1 3.5Å; W27-V72 HydrophobicContact CZ3-CG1 4.16Å; W27-L102 HydrophobicContact CZ2-CD2 3.8Å; W27-I105 HydrophobicContact CH2-CG2 3.9Å; W27-I105 HydrophobicContact CZ2-CG2 4.19Å
28	H	80.7	Confident	73.8	Confident	62 Å²	62	56.9 Å²	56.9	29%	0.287	30%	0.302	S	S	.	.	S	Bend	trans	-142.2	152.3	171.9	55.8	-86	0	0	0	108.5	Q25 K26 V30 N33 T34 T35 V47	Q25-H28 PolarHBondContact O-CE1 2.89Å; Q25-H28 PolarHBondContact O-ND1 3.4Å; K26-H28 PolarHBondContact O-N 3.14Å; H28-V30 PolarHBondContact O-N 2.98Å; H28-N33 PolarHBondContact CD2-OD1 2.99Å; H28-T34 CarbonylContact C-O 3.57Å; H28-T34 VanDerWaalsContact CA-O 3.24Å; H28-T34 WeakPolarHBondContact CA-O 3.42Å; H28-T35 HydrophobicContact CB-CG2 4.21Å; H28-V47 WeakPolarHBondContact O-CG1 3.39Å
29	C	83.5	Confident	75.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.			trans	-65.2	128.7	175.8	-179	0	0	0	0	109.4	D31 N33 T34 I38 C49	C29-D31 PolarHBondContact O-N 2.87Å; C29-N33 WeakPolarHBondContact O-CA 3.22Å; C29-N33 PolarHBondContact O-N 2.76Å; C29-T34 HydrophobicContact CB-CG2 3.75Å; C29-T34 PolarHBondContact N-O 2.85Å; C29-I38 HydrophobicContact CB-CD1 4.46Å; C29-C49 HydrophobicContact CB-CB 3.93Å; C29-C49 PolarHBondContact SG-N 3.44Å
30	V	86.6	Confident	76.6	Confident	93 Å²	93	51.4 Å²	51.4	56%	0.564	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.8	179.2	176.8	0	0	0	0	111.7	H28 V47	H28-V30 PolarHBondContact O-N 2.98Å; V30-V47 WeakPolarHBondContact CG2-O 3.4Å; V30-V47 PolarHBondContact N-O 3.49Å
31	D	86	Confident	77.9	Confident	87 Å²	87	51.2 Å²	51.2	47%	0.465	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-37.2	-172.2	-44.9	-67.9	0	0	0	113.7	C29 H46 H56	C29-D31 PolarHBondContact O-N 2.87Å; D31-H46 IonicContact OD2-CE1 2.87Å; D31-H46 IonicContact OD2-NE2 3.72Å; D31-H56 HydrophobicContact CB-CB 4.45Å; D31-H56 WeakPolarHBondContact OD2-CB 3.48Å; D31-H56 IonicContact OD2-CD2 3Å; D31-H56 IonicContact OD2-CG 3.3Å
32	C	83.7	Confident	79.1	Confident	53 Å²	53	51.1 Å²	51.1	36%	0.358	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	4	-178.5	66.6	0	0	0	0	115.2	T34	C32-T34 PolarHBondContact O-N 3.4Å; C32-T34 VanDerWaalsContact SG-CG2 3.57Å
33	N	81	Confident	80.1	Confident	114 Å²	114	51.1 Å²	51.1	61%	0.61	27%	0.273	S	S	*	.			trans	58.3	12.5	176.7	-150.2	35.2	0	0	0	116	H28 C29	H28-N33 PolarHBondContact CD2-OD1 2.99Å; C29-N33 WeakPolarHBondContact O-CA 3.22Å; C29-N33 PolarHBondContact O-N 2.76Å
34	T	75.3	Confident	80.7	Confident	30 Å²	30	50.6 Å²	50.6	18%	0.184	27%	0.272	C	S	.	.			trans	-64.8	148.2	172.5	-173	0	0	0	0	110.6	H28 C29 C32 E36 I38 C49 I53	H28-T34 CarbonylContact C-O 3.57Å; H28-T34 VanDerWaalsContact CA-O 3.24Å; H28-T34 WeakPolarHBondContact CA-O 3.42Å; C29-T34 HydrophobicContact CB-CG2 3.75Å; C29-T34 PolarHBondContact N-O 2.85Å; C32-T34 PolarHBondContact O-N 3.4Å; C32-T34 VanDerWaalsContact SG-CG2 3.57Å; T34-E36 PolarHBondContact OG1-N 3.28Å; T34-I38 HydrophobicContact CG2-CD1 4.07Å; T34-I38 WeakPolarHBondContact O-CD1 3.24Å; T34-C49 HydrophobicContact CG2-CB 3.38Å; T34-I53 HydrophobicContact CG2-CD1 4.19Å; T34-I53 HydrophobicContact CG2-CG2 4.31Å
35	T	76.9	Confident	81.4	Confident	98 Å²	98	53 Å²	53	60%	0.601	29%	0.289	S	S	*	.			trans	-105.8	0.1	173	52.9	0	0	0	0	112.2	H28 I38	H28-T35 HydrophobicContact CB-CG2 4.21Å; T35-I38 VanDerWaalsContact C-CG1 3.5Å; T35-I38 WeakPolarHBondContact O-CG1 3.48Å
36	E	68.8	Low	82.2	Confident	136 Å²	136	50.5 Å²	50.5	64%	0.636	28%	0.277	S	S	*	.	S	Bend	trans	-91.6	138.2	179.2	-59.9	-171	167.4	0	0	111.2	T34 I38 I53	T34-E36 PolarHBondContact OG1-N 3.28Å; E36-I38 VanDerWaalsContact O-CD1 3.32Å; E36-I38 WeakPolarHBondContact O-CD1 3.32Å; E36-I53 HydrophobicContact CB-CD1 4.05Å; E36-I53 WeakPolarHBondContact O-CD1 3.46Å
37	S	75	Confident	82.9	Confident	42 Å²	42	45.8 Å²	45.8	29%	0.294	26%	0.257	S	S	.	.	S	Bend	trans	46.2	70.5	177.6	-167.8	0	0	0	0	112.5	W39 G50	S37-W39 PolarHBondContact OG-NE1 2.67Å; S37-W39 VanDerWaalsContact OG-NE1 3.17Å; S37-G50 PolarHBondContact O-N 3.18Å
38	I	86.2	Confident	83.2	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.7	-169.3	-58.4	-57.7	0	0	0	110.5	C29 T34 T35 E36 V47 E71 V72	C29-I38 HydrophobicContact CB-CD1 4.46Å; T34-I38 HydrophobicContact CG2-CD1 4.07Å; T34-I38 WeakPolarHBondContact O-CD1 3.24Å; T35-I38 VanDerWaalsContact C-CG1 3.5Å; T35-I38 WeakPolarHBondContact O-CG1 3.48Å; E36-I38 VanDerWaalsContact O-CD1 3.32Å; E36-I38 WeakPolarHBondContact O-CD1 3.32Å; I38-V47 HydrophobicContact CG2-CG1 3.16Å; I38-E71 PolarHBondContact N-OE1 2.57Å; I38-E71 CarbonylContact O-C 3.52Å; I38-E71 VanDerWaalsContact O-CA 3.26Å; I38-E71 WeakPolarHBondContact O-CA 3.33Å; I38-V72 HydrophobicContact CG2-CG2 4.42Å; I38-V72 PolarHBondContact O-N 3.33Å
39	W	88.2	Confident	83.3	Confident	19 Å²	19	40.7 Å²	40.7	7%	0.072	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.7	-174.6	-64.3	77.3	0	0	0	110	S37 A48 G50 A57 A69 L70 E71 F78 Y85	S37-W39 PolarHBondContact OG-NE1 2.67Å; S37-W39 VanDerWaalsContact OG-NE1 3.17Å; W39-A48 PolarHBondContact N-O 3.37Å; W39-A48 PolarHBondContact O-N 3.49Å; W39-G50 VanDerWaalsContact NE1-CA 3.27Å; W39-A57 HydrophobicContact CB-CB 3.96Å; W39-A57 HydrophobicContact CG-CB 4.38Å; W39-A69 HydrophobicContact CB-CB 4.31Å; W39-A69 HydrophobicContact CE3-CB 4.17Å; W39-L70 CarbonylContact C-O 3.48Å; W39-L70 WeakPolarHBondContact CA-O 3.27Å; W39-E71 HydrophobicContact CD2-CB 3.81Å; W39-E71 HydrophobicContact CD2-CG 4.04Å; W39-E71 HydrophobicContact CE3-CB 3.84Å; W39-E71 HydrophobicContact CG-CB 4.5Å; W39-E71 HydrophobicContact CG-CG 4.42Å; W39-E71 HydrophobicContact CH2-CB 3.93Å; W39-E71 HydrophobicContact CZ2-CB 3.87Å; W39-E71 HydrophobicContact CZ2-CG 3.94Å; W39-E71 HydrophobicContact CZ3-CB 3.88Å; W39-F78 HydrophobicContact CE3-CB 4.27Å; W39-F78 HydrophobicContact CH2-CB 3.91Å; W39-F78 HydrophobicContact CZ3-CB 3.42Å; W39-F78 VanDerWaalsContact CZ3-CB 3.42Å; W39-Y85 AromaticContact CH2-CE1 3.93Å; W39-Y85 HydrophobicContact CH2-CE1 3.93Å
40	A	88.8	Confident	82.9	Confident	2 Å²	2	40.7 Å²	40.7	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.5	172.5	0	0	0	0	0	110	L42 V47 A69 L70 V72	A40-L42 PolarHBondContact O-N 2.92Å; A40-V47 HydrophobicContact CB-CG2 4.33Å; A40-A69 CarbonylContact O-C 3.55Å; A40-A69 WeakPolarHBondContact O-CA 3.39Å; A40-L70 PolarHBondContact N-O 3.47Å; A40-L70 PolarHBondContact O-N 2.92Å; A40-V72 HydrophobicContact CB-CG2 3.88Å
41	C	87.9	Confident	82.1	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134	173.1	-178.5	0	0	0	0	110.2	S43 C44 H46 H60 H66	C41-S43 VanDerWaalsContact C-N 3.33Å; C41-S43 PolarHBondContact SG-N 3.47Å; C41-C44 PolarHBondContact SG-N 3.45Å; C41-C44 PolarHBondContact SG-SG 3.04Å; C41-H46 WeakPolarHBondContact CB-O 3.34Å; C41-H46 PolarHBondContact N-O 3.31Å; C41-H60 PolarHBondContact SG-NE2 3.29Å; C41-H66 VanDerWaalsContact SG-CB 3.54Å
42	L	85.6	Confident	81.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-88.9	-2.2	177.1	-63.1	-174.2	0	0	0	113.6	L13 L15 H19 A40 V68 L70 V77 L95	L13-L42 HydrophobicContact CD1-CB 3.77Å; L13-L42 HydrophobicContact CD2-CB 3.89Å; L13-L42 HydrophobicContact CD2-CD1 3.77Å; L13-L42 HydrophobicContact CD2-CG 4.49Å; L13-L42 HydrophobicContact CG-CB 4.36Å; L15-L42 HydrophobicContact CD2-CB 4.31Å; L15-L42 HydrophobicContact CD2-CD2 4.27Å; H19-L42 VanDerWaalsContact CE1-C 3.46Å; H19-L42 PolarHBondContact CE1-O 2.84Å; A40-L42 PolarHBondContact O-N 2.92Å; L42-V68 HydrophobicContact CD1-CG1 3.76Å; L42-V68 HydrophobicContact CG-CG1 4.48Å; L42-V68 PolarHBondContact N-O 3.48Å; L42-L70 HydrophobicContact CD1-CB 4.25Å; L42-L70 HydrophobicContact CD2-CB 3.81Å; L42-L70 HydrophobicContact CG-CB 4.14Å; L42-V77 HydrophobicContact CD1-CG1 4.16Å; L42-L95 HydrophobicContact CD1-CD2 3.49Å; L42-L95 VanDerWaalsContact CD1-CD2 3.49Å
43	S	83.6	Confident	80.6	Confident	35 Å²	35	42.6 Å²	42.6	25%	0.245	22%	0.223	C	C	.	.	S	Bend	trans	-104.3	-17.7	176.6	-53.6	0	0	0	0	113	C41 H66	C41-S43 VanDerWaalsContact C-N 3.33Å; C41-S43 PolarHBondContact SG-N 3.47Å; S43-H66 WeakPolarHBondContact CB-CD2 3.49Å
44	C	84.5	Confident	80.4	Confident	26 Å²	26	42.4 Å²	42.4	18%	0.176	22%	0.219	C	C	.	.	S	Bend	trans	-148.2	-170.1	179.3	71.2	0	0	0	0	111.9	H19 C41 H46 H60	H19-C44 PolarHBondContact ND1-O 3.16Å; C41-C44 PolarHBondContact SG-N 3.45Å; C41-C44 PolarHBondContact SG-SG 3.04Å; C44-H46 VanDerWaalsContact SG-CB 3.55Å; C44-H46 PolarHBondContact SG-N 3.45Å; C44-H60 PolarHBondContact SG-CE1 3.36Å
45	S	83.7	Confident	80.9	Confident	65 Å²	65	45.2 Å²	45.2	46%	0.455	23%	0.23	S	C	.	.	S	Bend	trans	-90.4	2.9	-179.7	62.7	0	0	0	0	114.2	D18 S20	D18-S45 VanDerWaalsContact O-CB 3.26Å; D18-S45 WeakPolarHBondContact O-CB 3.32Å; S20-S45 VanDerWaalsContact CB-O 3.25Å; S20-S45 WeakPolarHBondContact CB-O 3.07Å; S20-S45 PolarHBondContact OG-O 3.42Å
46	H	85.4	Confident	81.4	Confident	45 Å²	45	42 Å²	42	21%	0.208	21%	0.208	C	C	.	.			trans	-75.3	141.1	-174.8	-168.8	81.5	0	0	0	111.7	D31 C41 C44 H60	D31-H46 IonicContact OD2-CE1 2.87Å; D31-H46 IonicContact OD2-NE2 3.72Å; C41-H46 WeakPolarHBondContact CB-O 3.34Å; C41-H46 PolarHBondContact N-O 3.31Å; C44-H46 VanDerWaalsContact SG-CB 3.55Å; C44-H46 PolarHBondContact SG-N 3.45Å; H46-H60 AromaticContact CD2-CE1 3.83Å; H46-H60 AromaticContact CD2-CG 3.44Å; H46-H60 VanDerWaalsContact CD2-CG 3.44Å; H46-H60 AromaticContact CD2-ND1 3.3Å; H46-H60 PolarHBondContact CD2-ND1 2.8Å; H46-H60 VanDerWaalsContact CD2-ND1 3.3Å; H46-H60 AromaticContact CG-CE1 3.8Å; H46-H60 AromaticContact CG-ND1 3.58Å; H46-H60 AromaticContact NE2-ND1 3.91Å
47	V	88.3	Confident	82.2	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.1	-178.5	-179.4	0	0	0	0	108.2	H28 V30 I38 A40	H28-V47 WeakPolarHBondContact O-CG1 3.39Å; V30-V47 WeakPolarHBondContact CG2-O 3.4Å; V30-V47 PolarHBondContact N-O 3.49Å; I38-V47 HydrophobicContact CG2-CG1 3.16Å; A40-V47 HydrophobicContact CB-CG2 4.33Å
48	A	87.8	Confident	82.8	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	159.1	-171	0	0	0	0	0	111.7	W39 H56 A57	W39-A48 PolarHBondContact N-O 3.37Å; W39-A48 PolarHBondContact O-N 3.49Å; A48-H56 HydrophobicContact CB-CB 3.8Å; A48-A57 HydrophobicContact CB-CB 3.9Å
49	C	83.1	Confident	82.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	153.6	176.2	71.8	0	0	0	0	111.6	C29 T34 I53 E54 H56 A57	C29-C49 HydrophobicContact CB-CB 3.93Å; C29-C49 PolarHBondContact SG-N 3.44Å; T34-C49 HydrophobicContact CG2-CB 3.38Å; C49-I53 HydrophobicContact CB-CB 4.08Å; C49-I53 HydrophobicContact CB-CD1 4.08Å; C49-I53 HydrophobicContact CB-CG2 4.15Å; C49-E54 PolarHBondContact SG-N 3.31Å; C49-H56 PolarHBondContact SG-ND1 2.93Å; C49-A57 VanDerWaalsContact O-CB 3.29Å; C49-A57 WeakPolarHBondContact O-CB 3.31Å; C49-A57 PolarHBondContact O-N 3.42Å
50	G	75.1	Confident	83	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.			trans	-67.2	169.4	-177	0	0	0	0	0	114.3	S37 W39 Y52 I53 E55	S37-G50 PolarHBondContact O-N 3.18Å; W39-G50 VanDerWaalsContact NE1-CA 3.27Å; G50-Y52 PolarHBondContact O-N 3.28Å; G50-I53 PolarHBondContact O-N 2.82Å; G50-I53 VanDerWaalsContact O-N 3.09Å; G50-E55 PolarHBondContact O-N 3.24Å
51	R	69.7	Low	83.2	Confident	62 Å²	62	41 Å²	41	23%	0.234	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.5	-177.8	-141.7	-173.6	-75.1	-167.1	-15.4	114.9	E55 L58 Y80 D83	R51-E55 HydrophobicContact CG-CG 4.33Å; R51-E55 WeakPolarHBondContact O-CG 3.39Å; R51-L58 HydrophobicContact CG-CD2 4.43Å; R51-Y80 VanDerWaalsContact NH2-CE1 3.32Å; R51-D83 IonicContact CZ-OD1 3.59Å; R51-D83 IonicContact NH1-OD1 3.85Å; R51-D83 PolarHBondContact NH1-OD1 3.34Å; R51-D83 IonicContact NH2-OD1 3.65Å; R51-D83 PolarHBondContact NH2-OD1 3.09Å; R51-D83 VanDerWaalsContact NH2-OD1 3.07Å
52	Y	64.9	Low	83.3	Confident	156 Å²	156	46.8 Å²	46.8	61%	0.612	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	7.9	-179.2	-57.7	-68.4	0	0	0	113	G50 R372	G50-Y52 PolarHBondContact O-N 3.28Å; Y52-R372 PolarHBondContact OH-O 3.4Å
53	I	72.2	Confident	83.6	Confident	55 Å²	55	54.5 Å²	54.5	28%	0.282	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-93	174.3	-60	167.7	0	0	0	107.9	T34 E36 C49 G50	T34-I53 HydrophobicContact CG2-CD1 4.19Å; T34-I53 HydrophobicContact CG2-CG2 4.31Å; E36-I53 HydrophobicContact CB-CD1 4.05Å; E36-I53 WeakPolarHBondContact O-CD1 3.46Å; C49-I53 HydrophobicContact CB-CB 4.08Å; C49-I53 HydrophobicContact CB-CD1 4.08Å; C49-I53 HydrophobicContact CB-CG2 4.15Å; G50-I53 PolarHBondContact O-N 2.82Å; G50-I53 VanDerWaalsContact O-N 3.09Å
54	E	77.6	Confident	83.8	Confident	109 Å²	109	54.8 Å²	54.8	51%	0.509	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	11.6	-178.5	-64.5	-59.6	142.9	0	0	112.4	C49 H56 K59	C49-E54 PolarHBondContact SG-N 3.31Å; E54-H56 WeakPolarHBondContact CB-CE1 3.37Å; E54-H56 PolarHBondContact O-N 2.84Å; E54-H56 VanDerWaalsContact O-N 3.07Å; E54-K59 PolarHBondContact O-NZ 2.96Å; E54-K59 VanDerWaalsContact O-NZ 3.1Å
55	E	86.3	Confident	84	Confident	89 Å²	89	57.6 Å²	57.6	42%	0.416	28%	0.283	S	S	.	.			trans	57	23.7	176.1	-54.5	-172.5	156.3	0	0	114.8	G50 R51 A57 L58 K59	G50-E55 PolarHBondContact O-N 3.24Å; R51-E55 HydrophobicContact CG-CG 4.33Å; R51-E55 WeakPolarHBondContact O-CG 3.39Å; E55-A57 PolarHBondContact O-N 3.05Å; E55-L58 HydrophobicContact CB-CB 4.25Å; E55-L58 WeakPolarHBondContact O-CA 3.19Å; E55-L58 WeakPolarHBondContact O-CB 3.37Å; E55-L58 PolarHBondContact O-N 3.36Å; E55-K59 PolarHBondContact O-N 2.99Å
56	H	86.4	Confident	84.3	Confident	30 Å²	30	57 Å²	57	14%	0.139	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-32.5	-178.8	-68.7	128	0	0	0	112.8	D31 A48 C49 E54 L58 K59 H60	D31-H56 HydrophobicContact CB-CB 4.45Å; D31-H56 WeakPolarHBondContact OD2-CB 3.48Å; D31-H56 IonicContact OD2-CD2 3Å; D31-H56 IonicContact OD2-CG 3.3Å; A48-H56 HydrophobicContact CB-CB 3.8Å; C49-H56 PolarHBondContact SG-ND1 2.93Å; E54-H56 WeakPolarHBondContact CB-CE1 3.37Å; E54-H56 PolarHBondContact O-N 2.84Å; E54-H56 VanDerWaalsContact O-N 3.07Å; H56-L58 VanDerWaalsContact C-N 3.29Å; H56-L58 PolarHBondContact O-N 3.45Å; H56-K59 PolarHBondContact O-N 3.38Å; H56-H60 VanDerWaalsContact O-CB 3.25Å; H56-H60 WeakPolarHBondContact O-CB 3.41Å; H56-H60 PolarHBondContact O-N 3.33Å
57	A	86.6	Confident	84.4	Confident	3 Å²	3	56 Å²	56	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-28.9	174.7	0	0	0	0	0	113	W39 A48 C49 E55 F61 Y80	W39-A57 HydrophobicContact CB-CB 3.96Å; W39-A57 HydrophobicContact CG-CB 4.38Å; A48-A57 HydrophobicContact CB-CB 3.9Å; C49-A57 VanDerWaalsContact O-CB 3.29Å; C49-A57 WeakPolarHBondContact O-CB 3.31Å; C49-A57 PolarHBondContact O-N 3.42Å; E55-A57 PolarHBondContact O-N 3.05Å; A57-F61 PolarHBondContact O-N 2.78Å; A57-Y80 WeakPolarHBondContact CB-OH 3.35Å
58	L	86.5	Confident	84.4	Confident	34 Å²	34	55.9 Å²	55.9	18%	0.178	27%	0.27	C	S	.	.	H	α-helix	trans	-77	-44	174.2	179.2	64.9	0	0	0	111.1	R51 E55 H56 H60 F61 Q62 Y80	R51-L58 HydrophobicContact CG-CD2 4.43Å; E55-L58 HydrophobicContact CB-CB 4.25Å; E55-L58 WeakPolarHBondContact O-CA 3.19Å; E55-L58 WeakPolarHBondContact O-CB 3.37Å; E55-L58 PolarHBondContact O-N 3.36Å; H56-L58 VanDerWaalsContact C-N 3.29Å; H56-L58 PolarHBondContact O-N 3.45Å; L58-H60 VanDerWaalsContact C-N 3.35Å; L58-H60 PolarHBondContact O-N 3.17Å; L58-F61 HydrophobicContact CD1-CD1 4.34Å; L58-F61 WeakPolarHBondContact O-CB 3.45Å; L58-F61 PolarHBondContact O-N 2.85Å; L58-F61 VanDerWaalsContact O-N 3.15Å; L58-Q62 WeakPolarHBondContact O-CG 3.46Å; L58-Q62 PolarHBondContact O-N 2.95Å; L58-Y80 HydrophobicContact CB-CE1 4.15Å; L58-Y80 HydrophobicContact CD1-CD1 3.69Å; L58-Y80 HydrophobicContact CD1-CE1 3.95Å
59	K	88.2	Confident	84.4	Confident	83 Å²	83	56.2 Å²	56.2	36%	0.361	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-46.8	174.2	-68.1	173	-175.4	156.9	0	111	E54 E55 H56 F61 Q62 E63	E54-K59 PolarHBondContact O-NZ 2.96Å; E54-K59 VanDerWaalsContact O-NZ 3.1Å; E55-K59 PolarHBondContact O-N 2.99Å; H56-K59 PolarHBondContact O-N 3.38Å; K59-F61 VanDerWaalsContact C-N 3.29Å; K59-F61 PolarHBondContact O-N 2.88Å; K59-Q62 WeakPolarHBondContact O-CB 3.35Å; K59-Q62 PolarHBondContact O-N 3.08Å; K59-E63 WeakPolarHBondContact O-CG 3.47Å; K59-E63 PolarHBondContact O-N 3.46Å
60	H	91.4	Very high	84.6	Confident	26 Å²	26	56.2 Å²	56.2	12%	0.12	27%	0.272	C	S	.	.	H	α-helix	trans	-55.9	-42.7	173.8	173	72	0	0	0	112.1	C41 C44 H46 H56 L58 E63 S64 H66	C41-H60 PolarHBondContact SG-NE2 3.29Å; C44-H60 PolarHBondContact SG-CE1 3.36Å; H46-H60 AromaticContact CD2-CE1 3.83Å; H46-H60 AromaticContact CD2-CG 3.44Å; H46-H60 VanDerWaalsContact CD2-CG 3.44Å; H46-H60 AromaticContact CD2-ND1 3.3Å; H46-H60 PolarHBondContact CD2-ND1 2.8Å; H46-H60 VanDerWaalsContact CD2-ND1 3.3Å; H46-H60 AromaticContact CG-CE1 3.8Å; H46-H60 AromaticContact CG-ND1 3.58Å; H46-H60 AromaticContact NE2-ND1 3.91Å; H56-H60 VanDerWaalsContact O-CB 3.25Å; H56-H60 WeakPolarHBondContact O-CB 3.41Å; H56-H60 PolarHBondContact O-N 3.33Å; L58-H60 VanDerWaalsContact C-N 3.35Å; L58-H60 PolarHBondContact O-N 3.17Å; H60-E63 PolarHBondContact O-N 2.83Å; H60-S64 PolarHBondContact CE1-OG 2.97Å; H60-S64 VanDerWaalsContact CE1-OG 3.24Å; H60-S64 PolarHBondContact NE2-OG 2.86Å; H60-S64 WeakPolarHBondContact O-CB 3.4Å; H60-S64 PolarHBondContact O-N 2.88Å; H60-S64 PolarHBondContact O-OG 2.75Å; H60-H66 AromaticContact CE1-ND1 3.53Å; H60-H66 AromaticContact NE2-ND1 3.29Å; H60-H66 PolarHBondContact NE2-ND1 2.98Å
61	F	91.8	Very high	85.1	Confident	34 Å²	34	56.5 Å²	56.5	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-43.3	174.4	164.7	-111.6	0	0	0	112.3	A57 L58 K59 E63 S65 H66 P67 Y80 L81	A57-F61 PolarHBondContact O-N 2.78Å; L58-F61 HydrophobicContact CD1-CD1 4.34Å; L58-F61 WeakPolarHBondContact O-CB 3.45Å; L58-F61 PolarHBondContact O-N 2.85Å; L58-F61 VanDerWaalsContact O-N 3.15Å; K59-F61 VanDerWaalsContact C-N 3.29Å; K59-F61 PolarHBondContact O-N 2.88Å; F61-E63 VanDerWaalsContact C-N 3.29Å; F61-E63 PolarHBondContact O-N 3.23Å; F61-S65 WeakPolarHBondContact O-CA 3.39Å; F61-S65 PolarHBondContact O-N 2.86Å; F61-H66 VanDerWaalsContact CD2-O 3.25Å; F61-H66 WeakPolarHBondContact CD2-O 3.24Å; F61-P67 HydrophobicContact CE2-CB 4.1Å; F61-Y80 HydrophobicContact CB-CD1 4.43Å; F61-Y80 HydrophobicContact CB-CD2 4.1Å; F61-Y80 HydrophobicContact CB-CG 3.97Å; F61-Y80 HydrophobicContact CD1-CD1 4.27Å; F61-Y80 AromaticContact CD1-CG 3.96Å; F61-Y80 HydrophobicContact CD1-CG 3.96Å; F61-Y80 HydrophobicContact CD2-CG 4.46Å; F61-Y80 VanDerWaalsContact CG-CB 3.42Å; F61-Y80 HydrophobicContact CG-CD1 4.47Å; F61-Y80 HydrophobicContact CG-CD2 4.3Å; F61-Y80 AromaticContact CG-CG 3.85Å; F61-Y80 HydrophobicContact CG-CG 3.85Å; F61-L81 HydrophobicContact CE2-CD2 4.14Å; F61-L81 HydrophobicContact CE2-CG 3.97Å; F61-L81 HydrophobicContact CZ-CD2 3.73Å; F61-L81 HydrophobicContact CZ-CG 3.92Å
62	Q	90.6	Very high	85.6	Confident	128 Å²	128	53.7 Å²	53.7	60%	0.598	26%	0.263	S	S	*	.	H	α-helix	trans	-62.5	-36.9	179.3	-70.2	169.6	-8.4	0	0	112.1	L58 K59	L58-Q62 WeakPolarHBondContact O-CG 3.46Å; L58-Q62 PolarHBondContact O-N 2.95Å; K59-Q62 WeakPolarHBondContact O-CB 3.35Å; K59-Q62 PolarHBondContact O-N 3.08Å
63	E	91.2	Very high	85.9	Confident	162 Å²	162	48.5 Å²	48.5	76%	0.757	25%	0.246	S	C	*	.	H	α-helix	trans	-81.7	-43.3	-178.9	-68.5	171.8	-171.7	0	0	113	K59 H60 F61	K59-E63 WeakPolarHBondContact O-CG 3.47Å; K59-E63 PolarHBondContact O-N 3.46Å; H60-E63 PolarHBondContact O-N 2.83Å; F61-E63 VanDerWaalsContact C-N 3.29Å; F61-E63 PolarHBondContact O-N 3.23Å
64	S	88.1	Confident	85.9	Confident	40 Å²	40	49.1 Å²	49.1	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-100.6	-8.1	-172	69.6	0	0	0	0	114.3	H60 H66	H60-S64 PolarHBondContact CE1-OG 2.97Å; H60-S64 VanDerWaalsContact CE1-OG 3.24Å; H60-S64 PolarHBondContact NE2-OG 2.86Å; H60-S64 WeakPolarHBondContact O-CB 3.4Å; H60-S64 PolarHBondContact O-N 2.88Å; H60-S64 PolarHBondContact O-OG 2.75Å; S64-H66 VanDerWaalsContact CB-ND1 3.33Å; S64-H66 WeakPolarHBondContact CB-ND1 3.45Å; S64-H66 PolarHBondContact O-N 2.8Å; S64-H66 VanDerWaalsContact O-N 3.11Å; S64-H66 WeakPolarHBondContact OG-CB 3.34Å; S64-H66 VanDerWaalsContact OG-CG 3.27Å; S64-H66 PolarHBondContact OG-N 2.95Å; S64-H66 PolarHBondContact OG-ND1 3.46Å
65	S	89.7	Confident	86	Confident	86 Å²	86	45.7 Å²	45.7	60%	0.601	23%	0.232	S	C	*	.			trans	54.6	22.7	-172.6	-62.7	0	0	0	0	114	F61 P67	F61-S65 WeakPolarHBondContact O-CA 3.39Å; F61-S65 PolarHBondContact O-N 2.86Å; S65-P67 VanDerWaalsContact O-CD 3.23Å; S65-P67 WeakPolarHBondContact O-CD 3.28Å
66	H	90.2	Very high	85.7	Confident	52 Å²	52	43.8 Å²	43.8	24%	0.241	22%	0.222	C	C	.	.			trans	-79.6	106.2	178	-70	145.7	0	0	0	111.8	C41 S43 H60 F61 S64 V68	C41-H66 VanDerWaalsContact SG-CB 3.54Å; S43-H66 WeakPolarHBondContact CB-CD2 3.49Å; H60-H66 AromaticContact CE1-ND1 3.53Å; H60-H66 AromaticContact NE2-ND1 3.29Å; H60-H66 PolarHBondContact NE2-ND1 2.98Å; F61-H66 VanDerWaalsContact CD2-O 3.25Å; F61-H66 WeakPolarHBondContact CD2-O 3.24Å; S64-H66 VanDerWaalsContact CB-ND1 3.33Å; S64-H66 WeakPolarHBondContact CB-ND1 3.45Å; S64-H66 PolarHBondContact O-N 2.8Å; S64-H66 VanDerWaalsContact O-N 3.11Å; S64-H66 WeakPolarHBondContact OG-CB 3.34Å; S64-H66 VanDerWaalsContact OG-CG 3.27Å; S64-H66 PolarHBondContact OG-N 2.95Å; S64-H66 PolarHBondContact OG-ND1 3.46Å; H66-V68 PolarHBondContact O-N 2.97Å
67	P	87.1	Confident	85.5	Confident	23 Å²	23	42.5 Å²	42.5	15%	0.149	22%	0.216	C	C	.	.			trans	-87.9	-6.2	-157.3	33.2	-33.7	0	0	0	114.4	H9 F61 S65 C79 Y80 L81	H9-P67 HydrophobicContact CB-CG 4.44Å; F61-P67 HydrophobicContact CE2-CB 4.1Å; S65-P67 VanDerWaalsContact O-CD 3.23Å; S65-P67 WeakPolarHBondContact O-CD 3.28Å; P67-C79 CarbonylContact O-C 3.57Å; P67-C79 WeakPolarHBondContact O-CA 3.48Å; P67-C79 PolarHBondContact O-SG 2.87Å; P67-C79 VanDerWaalsContact O-SG 3.32Å; P67-Y80 PolarHBondContact O-N 3.33Å; P67-L81 HydrophobicContact CB-CB 4.15Å; P67-L81 HydrophobicContact CB-CD1 3.37Å; P67-L81 HydrophobicContact CB-CG 3.56Å; P67-L81 HydrophobicContact CG-CD1 4Å
68	V	88.5	Confident	85.3	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.1	-173.6	-167.5	0	0	0	0	111.1	H9 V10 L13 L42 H66 V77 F78 C79 V86	H9-V68 HydrophobicContact CB-CG2 4.22Å; V10-V68 HydrophobicContact CG2-CG1 4.34Å; V10-V68 HydrophobicContact CG2-CG2 4.25Å; L13-V68 HydrophobicContact CD1-CB 4.35Å; L42-V68 HydrophobicContact CD1-CG1 3.76Å; L42-V68 HydrophobicContact CG-CG1 4.48Å; L42-V68 PolarHBondContact N-O 3.48Å; H66-V68 PolarHBondContact O-N 2.97Å; V68-V77 HydrophobicContact CG1-CG1 3.4Å; V68-V77 VanDerWaalsContact CG1-CG1 3.4Å; V68-F78 WeakPolarHBondContact CA-O 3.47Å; V68-C79 HydrophobicContact CG2-CB 4.33Å; V68-V86 HydrophobicContact CG1-CG2 4.47Å
69	A	88.2	Confident	85.4	Confident	7 Å²	7	41.1 Å²	41.1	6%	0.058	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.7	174.3	0	0	0	0	0	111	W39 A40 V77 F78 Y80	W39-A69 HydrophobicContact CB-CB 4.31Å; W39-A69 HydrophobicContact CE3-CB 4.17Å; A40-A69 CarbonylContact O-C 3.55Å; A40-A69 WeakPolarHBondContact O-CA 3.39Å; A69-V77 CarbonylContact O-C 3.49Å; A69-V77 WeakPolarHBondContact O-CA 3.23Å; A69-F78 PolarHBondContact N-O 2.81Å; A69-F78 PolarHBondContact O-N 2.78Å; A69-Y80 HydrophobicContact CB-CE2 4Å
70	L	86.8	Confident	85.2	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.8	175.2	174.4	138.9	0	0	0	110	W39 A40 L42 Y76 V77 L98 R99 L102	W39-L70 CarbonylContact C-O 3.48Å; W39-L70 WeakPolarHBondContact CA-O 3.27Å; A40-L70 PolarHBondContact N-O 3.47Å; A40-L70 PolarHBondContact O-N 2.92Å; L42-L70 HydrophobicContact CD1-CB 4.25Å; L42-L70 HydrophobicContact CD2-CB 3.81Å; L42-L70 HydrophobicContact CG-CB 4.14Å; L70-Y76 CarbonylContact C-O 3.57Å; L70-Y76 VanDerWaalsContact CA-O 3.28Å; L70-Y76 WeakPolarHBondContact CA-O 3.37Å; L70-V77 HydrophobicContact CB-CG2 4.13Å; L70-V77 HydrophobicContact CD1-CG2 3.61Å; L70-V77 HydrophobicContact CG-CG2 4.16Å; L70-L98 HydrophobicContact CD1-CD2 3.54Å; L70-L98 HydrophobicContact CD2-CD2 3.83Å; L70-L98 HydrophobicContact CG-CD2 4.25Å; L70-R99 HydrophobicContact CD1-CG 4.32Å; L70-L102 HydrophobicContact CD2-CD1 3.38Å
71	E	85.9	Confident	84.8	Confident	7 Å²	7	41.5 Å²	41.5	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	128.3	171	-157.3	-71.4	151.3	0	0	109	I38 W39 N73 E74 M75 Y76	I38-E71 PolarHBondContact N-OE1 2.57Å; I38-E71 CarbonylContact O-C 3.52Å; I38-E71 VanDerWaalsContact O-CA 3.26Å; I38-E71 WeakPolarHBondContact O-CA 3.33Å; W39-E71 HydrophobicContact CD2-CB 3.81Å; W39-E71 HydrophobicContact CD2-CG 4.04Å; W39-E71 HydrophobicContact CE3-CB 3.84Å; W39-E71 HydrophobicContact CG-CB 4.5Å; W39-E71 HydrophobicContact CG-CG 4.42Å; W39-E71 HydrophobicContact CH2-CB 3.93Å; W39-E71 HydrophobicContact CZ2-CB 3.87Å; W39-E71 HydrophobicContact CZ2-CG 3.94Å; W39-E71 HydrophobicContact CZ3-CB 3.88Å; E71-N73 WeakPolarHBondContact OE1-CB 3.3Å; E71-N73 PolarHBondContact OE1-N 3.29Å; E71-N73 PolarHBondContact OE1-ND2 2.92Å; E71-N73 WeakPolarHBondContact OE2-CA 3.48Å; E71-N73 PolarHBondContact OE2-N 3.4Å; E71-E74 WeakPolarHBondContact OE2-CA 3.47Å; E71-E74 WeakPolarHBondContact OE2-CB 3.31Å; E71-E74 PolarHBondContact OE2-N 3.17Å; E71-M75 WeakPolarHBondContact O-CA 3.36Å; E71-M75 PolarHBondContact O-N 2.9Å; E71-Y76 PolarHBondContact N-O 2.88Å
72	V	80.3	Confident	84.3	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.018	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-27.9	-165.1	-177.4	0	0	0	0	113	W27 I38 A40 L102	W27-V72 HydrophobicContact CD2-CG1 3.43Å; W27-V72 VanDerWaalsContact CD2-CG1 3.43Å; W27-V72 HydrophobicContact CE3-CG1 3.91Å; W27-V72 HydrophobicContact CG-CG1 3.89Å; W27-V72 HydrophobicContact CH2-CG1 3.97Å; W27-V72 HydrophobicContact CZ2-CG1 3.5Å; W27-V72 VanDerWaalsContact CZ2-CG1 3.5Å; W27-V72 HydrophobicContact CZ3-CG1 4.16Å; I38-V72 HydrophobicContact CG2-CG2 4.42Å; I38-V72 PolarHBondContact O-N 3.33Å; A40-V72 HydrophobicContact CB-CG2 3.88Å; V72-L102 HydrophobicContact CG1-CD2 4.28Å
73	N	71.3	Confident	83.6	Confident	47 Å²	47	39.5 Å²	39.5	25%	0.251	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-43.4	-175.1	-63.3	-57.1	0	0	0	113.7	E71 K106	E71-N73 WeakPolarHBondContact OE1-CB 3.3Å; E71-N73 PolarHBondContact OE1-N 3.29Å; E71-N73 PolarHBondContact OE1-ND2 2.92Å; E71-N73 WeakPolarHBondContact OE2-CA 3.48Å; E71-N73 PolarHBondContact OE2-N 3.4Å; N73-K106 PolarHBondContact O-NZ 2.93Å
74	E	71.9	Confident	82.4	Confident	68 Å²	68	34.8 Å²	34.8	32%	0.318	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-4	-173.6	-55.8	-67.4	120.8	0	0	111.7	E71 Y76 R417	E71-E74 WeakPolarHBondContact OE2-CA 3.47Å; E71-E74 WeakPolarHBondContact OE2-CB 3.31Å; E71-E74 PolarHBondContact OE2-N 3.17Å; E74-Y76 HydrophobicContact CB-CD2 3.55Å; E74-Y76 HydrophobicContact CB-CE2 3.29Å; E74-Y76 HydrophobicContact CB-CG 4.43Å; E74-Y76 HydrophobicContact CG-CE2 4.02Å; E74-Y76 PolarHBondContact O-N 3.27Å; E74-Y76 VanDerWaalsContact O-N 3.12Å; E74-R417 IonicContact OE1-NH2 2.96Å; E74-R417 PolarHBondContact OE1-NH2 3.46Å; E74-R417 IonicContact OE2-CZ 3.38Å; E74-R417 IonicContact OE2-NE 2.67Å; E74-R417 IonicContact OE2-NH2 2.64Å; E74-R417 PolarHBondContact OE2-NH2 3.01Å
75	M	78.3	Confident	81.8	Confident	37 Å²	37	35.7 Å²	35.7	18%	0.182	19%	0.189	C	C	.	.			trans	65.6	18.3	166.7	-55.8	147.9	-162.5	0	0	114.2	E71 R99 L102 K106	E71-M75 WeakPolarHBondContact O-CA 3.36Å; E71-M75 PolarHBondContact O-N 2.9Å; M75-R99 HydrophobicContact CB-CG 4.14Å; M75-R99 PolarHBondContact O-NE 3.36Å; M75-R99 VanDerWaalsContact O-NE 3.09Å; M75-L102 HydrophobicContact CE-CB 4.44Å; M75-K106 HydrophobicContact CE-CD 4.17Å
76	Y	80.1	Confident	81.1	Confident	49 Å²	49	31.8 Å²	31.8	19%	0.192	16%	0.162	C	C	.	.			trans	-69.3	145.4	172.7	-59.5	-53.4	0	0	0	110.4	L70 E71 E74 Y85 W410 Y419	L70-Y76 CarbonylContact C-O 3.57Å; L70-Y76 VanDerWaalsContact CA-O 3.28Å; L70-Y76 WeakPolarHBondContact CA-O 3.37Å; E71-Y76 PolarHBondContact N-O 2.88Å; E74-Y76 HydrophobicContact CB-CD2 3.55Å; E74-Y76 HydrophobicContact CB-CE2 3.29Å; E74-Y76 HydrophobicContact CB-CG 4.43Å; E74-Y76 HydrophobicContact CG-CE2 4.02Å; E74-Y76 PolarHBondContact O-N 3.27Å; E74-Y76 VanDerWaalsContact O-N 3.12Å; Y76-Y85 HydrophobicContact CG-CE1 4.28Å; Y76-W410 HydrophobicContact CE1-CH2 4.36Å; Y76-W410 AromaticContact CE1-CZ3 3.96Å; Y76-W410 HydrophobicContact CE1-CZ3 3.96Å; Y76-W410 AromaticContact CZ-CZ3 3.97Å; Y76-W410 VanDerWaalsContact OH-CZ3 3.24Å; Y76-W410 WeakPolarHBondContact OH-CZ3 3.49Å; Y76-Y419 HydrophobicContact CD1-CE2 4.06Å; Y76-Y419 AromaticContact CE1-CE2 3.68Å; Y76-Y419 HydrophobicContact CE1-CE2 3.68Å
77	V	83.6	Confident	79.8	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.3	174.4	-179.2	0	0	0	0	107.5	L42 V68 A69 L70 Y85 V86 L95 R99	L42-V77 HydrophobicContact CD1-CG1 4.16Å; V68-V77 HydrophobicContact CG1-CG1 3.4Å; V68-V77 VanDerWaalsContact CG1-CG1 3.4Å; A69-V77 CarbonylContact O-C 3.49Å; A69-V77 WeakPolarHBondContact O-CA 3.23Å; L70-V77 HydrophobicContact CB-CG2 4.13Å; L70-V77 HydrophobicContact CD1-CG2 3.61Å; L70-V77 HydrophobicContact CG-CG2 4.16Å; V77-Y85 CarbonylContact O-C 3.36Å; V77-Y85 WeakPolarHBondContact O-CA 3.43Å; V77-Y85 WeakPolarHBondContact O-CD1 3.31Å; V77-V86 HydrophobicContact CB-CB 3.92Å; V77-V86 HydrophobicContact CG1-CB 3.67Å; V77-V86 HydrophobicContact CG1-CG1 4.22Å; V77-V86 HydrophobicContact CG1-CG2 3.9Å; V77-V86 PolarHBondContact O-N 3.35Å; V77-L95 HydrophobicContact CG2-CD2 3.98Å; V77-R99 VanDerWaalsContact CG2-NH2 3.31Å
78	F	82.3	Confident	78.9	Confident	8 Å²	8	33.7 Å²	33.7	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.6	179.3	-166.1	-78.8	0	0	0	110	W39 V68 A69 Y80 D83 Y85	W39-F78 HydrophobicContact CE3-CB 4.27Å; W39-F78 HydrophobicContact CH2-CB 3.91Å; W39-F78 HydrophobicContact CZ3-CB 3.42Å; W39-F78 VanDerWaalsContact CZ3-CB 3.42Å; V68-F78 WeakPolarHBondContact CA-O 3.47Å; A69-F78 PolarHBondContact N-O 2.81Å; A69-F78 PolarHBondContact O-N 2.78Å; F78-Y80 HydrophobicContact CD1-CD1 4.18Å; F78-Y80 HydrophobicContact CD1-CD2 4.22Å; F78-Y80 HydrophobicContact CD1-CE1 4.25Å; F78-Y80 HydrophobicContact CD1-CE2 4.28Å; F78-Y80 HydrophobicContact CD1-CG 4.15Å; F78-Y80 HydrophobicContact CE1-CD1 4.13Å; F78-Y80 HydrophobicContact CE1-CE1 4.44Å; F78-Y80 HydrophobicContact CE1-CG 4.33Å; F78-D83 WeakPolarHBondContact CZ-O 3.5Å; F78-Y85 HydrophobicContact CB-CD1 4.48Å; F78-Y85 AromaticContact CD2-CD1 3.95Å; F78-Y85 HydrophobicContact CD2-CD1 3.95Å; F78-Y85 AromaticContact CD2-CD2 3.97Å; F78-Y85 HydrophobicContact CD2-CD2 3.97Å; F78-Y85 AromaticContact CD2-CE1 3.96Å; F78-Y85 HydrophobicContact CD2-CE1 3.96Å; F78-Y85 AromaticContact CD2-CE2 3.95Å; F78-Y85 HydrophobicContact CD2-CE2 3.95Å; F78-Y85 AromaticContact CD2-CG 3.96Å; F78-Y85 HydrophobicContact CD2-CG 3.96Å; F78-Y85 AromaticContact CD2-CZ 3.95Å; F78-Y85 HydrophobicContact CE2-CD2 4.12Å; F78-Y85 HydrophobicContact CE2-CE2 4.09Å
79	C	86.9	Confident	77.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	112.8	173.5	-178.8	0	0	0	0	110.7	C7 H9 P67 V68 L81 C82 D83 D84 V86	C7-C79 VanDerWaalsContact SG-SG 3.69Å; H9-C79 PolarHBondContact ND1-SG 2.82Å; H9-C79 VanDerWaalsContact ND1-SG 3.39Å; P67-C79 CarbonylContact O-C 3.57Å; P67-C79 WeakPolarHBondContact O-CA 3.48Å; P67-C79 PolarHBondContact O-SG 2.87Å; P67-C79 VanDerWaalsContact O-SG 3.32Å; V68-C79 HydrophobicContact CG2-CB 4.33Å; C79-L81 VanDerWaalsContact C-N 3.31Å; C79-L81 PolarHBondContact O-N 2.89Å; C79-C82 HydrophobicContact CB-CB 4.08Å; C79-C82 PolarHBondContact O-N 2.68Å; C79-D83 CarbonylContact O-C 3.57Å; C79-D83 WeakPolarHBondContact O-CA 3.21Å; C79-D83 PolarHBondContact O-N 2.93Å; C79-D84 PolarHBondContact N-O 3.09Å; C79-D84 PolarHBondContact O-N 3.28Å; C79-V86 HydrophobicContact CB-CG2 3.56Å
80	Y	84.3	Confident	77.1	Confident	19 Å²	19	36.7 Å²	36.7	8%	0.075	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.3	-179.2	-68	-85.8	0	0	0	113.9	R51 A57 L58 F61 P67 A69 F78 D83	R51-Y80 VanDerWaalsContact NH2-CE1 3.32Å; A57-Y80 WeakPolarHBondContact CB-OH 3.35Å; L58-Y80 HydrophobicContact CB-CE1 4.15Å; L58-Y80 HydrophobicContact CD1-CD1 3.69Å; L58-Y80 HydrophobicContact CD1-CE1 3.95Å; F61-Y80 HydrophobicContact CB-CD1 4.43Å; F61-Y80 HydrophobicContact CB-CD2 4.1Å; F61-Y80 HydrophobicContact CB-CG 3.97Å; F61-Y80 HydrophobicContact CD1-CD1 4.27Å; F61-Y80 AromaticContact CD1-CG 3.96Å; F61-Y80 HydrophobicContact CD1-CG 3.96Å; F61-Y80 HydrophobicContact CD2-CG 4.46Å; F61-Y80 VanDerWaalsContact CG-CB 3.42Å; F61-Y80 HydrophobicContact CG-CD1 4.47Å; F61-Y80 HydrophobicContact CG-CD2 4.3Å; F61-Y80 AromaticContact CG-CG 3.85Å; F61-Y80 HydrophobicContact CG-CG 3.85Å; P67-Y80 PolarHBondContact O-N 3.33Å; A69-Y80 HydrophobicContact CB-CE2 4Å; F78-Y80 HydrophobicContact CD1-CD1 4.18Å; F78-Y80 HydrophobicContact CD1-CD2 4.22Å; F78-Y80 HydrophobicContact CD1-CE1 4.25Å; F78-Y80 HydrophobicContact CD1-CE2 4.28Å; F78-Y80 HydrophobicContact CD1-CG 4.15Å; F78-Y80 HydrophobicContact CE1-CD1 4.13Å; F78-Y80 HydrophobicContact CE1-CE1 4.44Å; F78-Y80 HydrophobicContact CE1-CG 4.33Å; Y80-D83 PolarHBondContact O-N 3.28Å
81	L	84.1	Confident	75.8	Confident	99 Å²	99	42.1 Å²	42.1	52%	0.518	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-37.4	173	-76.8	175.5	0	0	0	113.5	F61 P67 C79	F61-L81 HydrophobicContact CE2-CD2 4.14Å; F61-L81 HydrophobicContact CE2-CG 3.97Å; F61-L81 HydrophobicContact CZ-CD2 3.73Å; F61-L81 HydrophobicContact CZ-CG 3.92Å; P67-L81 HydrophobicContact CB-CB 4.15Å; P67-L81 HydrophobicContact CB-CD1 3.37Å; P67-L81 HydrophobicContact CB-CG 3.56Å; P67-L81 HydrophobicContact CG-CD1 4Å; C79-L81 VanDerWaalsContact C-N 3.31Å; C79-L81 PolarHBondContact O-N 2.89Å
82	C	80.1	Confident	74.7	Confident	53 Å²	53	46.7 Å²	46.7	36%	0.358	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.2	170.9	-67.1	0	0	0	0	111.8	C7 H9 C79 D84	C7-C82 VanDerWaalsContact SG-SG 3.65Å; H9-C82 VanDerWaalsContact CE1-SG 3.52Å; H9-C82 PolarHBondContact ND1-SG 3.01Å; C79-C82 HydrophobicContact CB-CB 4.08Å; C79-C82 PolarHBondContact O-N 2.68Å; C82-D84 HydrophobicContact CB-CB 4.12Å; C82-D84 PolarHBondContact O-N 2.79Å; C82-D84 VanDerWaalsContact O-N 3.13Å
83	D	77.3	Confident	74	Confident	67 Å²	67	47.9 Å²	47.9	36%	0.358	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	32.2	-160.9	-170.4	43.1	0	0	0	112.4	R51 F78 C79 Y80 R372	R51-D83 IonicContact CZ-OD1 3.59Å; R51-D83 IonicContact NH1-OD1 3.85Å; R51-D83 PolarHBondContact NH1-OD1 3.34Å; R51-D83 IonicContact NH2-OD1 3.65Å; R51-D83 PolarHBondContact NH2-OD1 3.09Å; R51-D83 VanDerWaalsContact NH2-OD1 3.07Å; F78-D83 WeakPolarHBondContact CZ-O 3.5Å; C79-D83 CarbonylContact O-C 3.57Å; C79-D83 WeakPolarHBondContact O-CA 3.21Å; C79-D83 PolarHBondContact O-N 2.93Å; Y80-D83 PolarHBondContact O-N 3.28Å; D83-R372 PolarHBondContact O-NE 2.9Å; D83-R372 PolarHBondContact O-NH1 3.06Å; D83-R372 PolarHBondContact O-NH2 3.31Å; D83-R372 VanDerWaalsContact O-NH2 3.15Å; D83-R372 IonicContact OD2-NH1 3.73Å; D83-R372 PolarHBondContact OD2-NH1 3.4Å
84	D	66.5	Low	73.9	Confident	62 Å²	62	46.4 Å²	46.4	33%	0.332	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.9	-171.7	-157.1	8.9	0	0	0	113	C79 C82 V86 R372	C79-D84 PolarHBondContact N-O 3.09Å; C79-D84 PolarHBondContact O-N 3.28Å; C82-D84 HydrophobicContact CB-CB 4.12Å; C82-D84 PolarHBondContact O-N 2.79Å; C82-D84 VanDerWaalsContact O-N 3.13Å; D84-V86 PolarHBondContact O-N 3Å; D84-R372 IonicContact OD1-CZ 3.82Å; D84-R372 IonicContact OD1-NE 3.63Å; D84-R372 PolarHBondContact OD1-NE 2.9Å; D84-R372 IonicContact OD1-NH2 3Å; D84-R372 PolarHBondContact OD1-NH2 2.76Å; D84-R372 IonicContact OD2-NH2 2.8Å; D84-R372 PolarHBondContact OD2-NH2 3.01Å
85	Y	74.6	Confident	73.9	Confident	59 Å²	59	43.3 Å²	43.3	23%	0.231	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.2	166.6	-73.5	-85.2	0	0	0	110.3	W39 Y76 V77 F78 L87	W39-Y85 AromaticContact CH2-CE1 3.93Å; W39-Y85 HydrophobicContact CH2-CE1 3.93Å; Y76-Y85 HydrophobicContact CG-CE1 4.28Å; V77-Y85 CarbonylContact O-C 3.36Å; V77-Y85 WeakPolarHBondContact O-CA 3.43Å; V77-Y85 WeakPolarHBondContact O-CD1 3.31Å; F78-Y85 HydrophobicContact CB-CD1 4.48Å; F78-Y85 AromaticContact CD2-CD1 3.95Å; F78-Y85 HydrophobicContact CD2-CD1 3.95Å; F78-Y85 AromaticContact CD2-CD2 3.97Å; F78-Y85 HydrophobicContact CD2-CD2 3.97Å; F78-Y85 AromaticContact CD2-CE1 3.96Å; F78-Y85 HydrophobicContact CD2-CE1 3.96Å; F78-Y85 AromaticContact CD2-CE2 3.95Å; F78-Y85 HydrophobicContact CD2-CE2 3.95Å; F78-Y85 AromaticContact CD2-CG 3.96Å; F78-Y85 HydrophobicContact CD2-CG 3.96Å; F78-Y85 AromaticContact CD2-CZ 3.95Å; F78-Y85 HydrophobicContact CE2-CD2 4.12Å; F78-Y85 HydrophobicContact CE2-CE2 4.09Å; Y85-L87 PolarHBondContact O-N 3.34Å
86	V	75.1	Confident	73.5	Confident	5 Å²	5	48 Å²	48	3%	0.03	27%	0.27	C	S	.	.			trans	-84.5	110.3	177.5	172.5	0	0	0	0	109	C7 V10 V68 V77 C79 D84 N88 L95	C7-V86 HydrophobicContact CB-CG1 4.38Å; C7-V86 HydrophobicContact CB-CG2 4.04Å; V10-V86 HydrophobicContact CB-CG1 4.11Å; V10-V86 HydrophobicContact CG1-CG1 4.11Å; V10-V86 HydrophobicContact CG2-CB 4.01Å; V10-V86 HydrophobicContact CG2-CG1 3.29Å; V10-V86 HydrophobicContact CG2-CG2 3.55Å; V68-V86 HydrophobicContact CG1-CG2 4.47Å; V77-V86 HydrophobicContact CB-CB 3.92Å; V77-V86 HydrophobicContact CG1-CB 3.67Å; V77-V86 HydrophobicContact CG1-CG1 4.22Å; V77-V86 HydrophobicContact CG1-CG2 3.9Å; V77-V86 PolarHBondContact O-N 3.35Å; C79-V86 HydrophobicContact CB-CG2 3.56Å; D84-V86 PolarHBondContact O-N 3Å; V86-N88 WeakPolarHBondContact CG1-O 3.45Å; V86-L95 HydrophobicContact CG1-CD1 4.4Å
87	L	63.1	Low	73.1	Confident	85 Å²	85	48.4 Å²	48.4	45%	0.445	28%	0.275	S	S	.	.			trans	-94.6	-16.4	177.7	-57	178.4	0	0	0	113.3	Y85 L278	Y85-L87 PolarHBondContact O-N 3.34Å; L87-L278 HydrophobicContact CD1-CD2 4.09Å
88	N	68	Low	72.5	Confident	29 Å²	29	48.8 Å²	48.8	16%	0.155	28%	0.277	C	S	.	.	S	Bend	trans	-96	140.8	178	61.5	-70.6	0	0	0	112	K6 C7 V86	K6-N88 HydrophobicContact CB-CB 4.25Å; K6-N88 HydrophobicContact CD-CB 4.47Å; K6-N88 HydrophobicContact CG-CB 4.11Å; C7-N88 WeakPolarHBondContact CB-OD1 3.21Å; C7-N88 PolarHBondContact N-OD1 3.18Å; C7-N88 PolarHBondContact O-ND2 3Å; V86-N88 WeakPolarHBondContact CG1-O 3.45Å
89	D	67.6	Low	72.2	Confident	63 Å²	63	51.3 Å²	51.3	34%	0.337	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-79	162.7	166.9	-71.1	-35.6	0	0	0	111.5	L95 R99	D89-L95 VanDerWaalsContact OD1-CB 3.31Å; D89-L95 WeakPolarHBondContact OD1-CB 3.39Å; D89-R99 IonicContact OD1-NH1 2.75Å; D89-R99 PolarHBondContact OD1-NH1 3.28Å
90	N	71.3	Confident	71.2	Confident	8 Å²	8	54.8 Å²	54.8	4%	0.043	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-73.1	154.1	168.9	66.1	-2.1	0	0	0	110.4	V10 T92 G93 D94	V10-N90 HydrophobicContact CG1-CB 4.09Å; V10-N90 VanDerWaalsContact O-CB 3.32Å; V10-N90 WeakPolarHBondContact O-CB 3.49Å; N90-T92 PolarHBondContact ND2-OG1 3.41Å; N90-T92 PolarHBondContact O-N 2.81Å; N90-T92 PolarHBondContact OD1-OG1 2.97Å; N90-G93 PolarHBondContact O-N 2.64Å; N90-G93 WeakPolarHBondContact OD1-CA 3.37Å; N90-G93 PolarHBondContact OD1-N 3.22Å; N90-D94 WeakPolarHBondContact ND2-CB 3.4Å; N90-D94 PolarHBondContact ND2-OD2 2.84Å; N90-D94 PolarHBondContact OD1-N 2.91Å
91	A	59.4	Low	70.4	Confident	114 Å²	114	54 Å²	54	94%	0.942	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.9	-176.2	0	0	0	0	0	113.3
92	T	63.8	Low	69.8	Low	104 Å²	104	49.4 Å²	49.4	64%	0.638	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-11.7	176.1	45.5	0	0	0	0	113.9	N90 D94	N90-T92 PolarHBondContact ND2-OG1 3.41Å; N90-T92 PolarHBondContact O-N 2.81Å; N90-T92 PolarHBondContact OD1-OG1 2.97Å; T92-D94 VanDerWaalsContact C-N 3.32Å; T92-D94 VanDerWaalsContact CB-OD2 3.31Å; T92-D94 WeakPolarHBondContact CB-OD2 3.18Å; T92-D94 PolarHBondContact O-N 3.44Å; T92-D94 PolarHBondContact OG1-OD2 3.47Å
93	G	65.6	Low	69.4	Low	27 Å²	27	49.7 Å²	49.7	28%	0.278	29%	0.287	S	S	.	.			trans	72.8	17	178.3	0	0	0	0	0	115.1	N90 K96 L97	N90-G93 PolarHBondContact O-N 2.64Å; N90-G93 WeakPolarHBondContact OD1-CA 3.37Å; N90-G93 PolarHBondContact OD1-N 3.22Å; G93-K96 PolarHBondContact O-N 3.42Å; G93-L97 WeakPolarHBondContact O-CB 3.49Å; G93-L97 PolarHBondContact O-N 3.5Å; G93-L97 VanDerWaalsContact O-N 3.1Å
94	D	68.4	Low	68.9	Low	17 Å²	17	47.9 Å²	47.9	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-36.3	-176.8	-54.6	-67.4	0	0	0	112.6	L15 N90 T92 L97 L98 K160	L15-D94 HydrophobicContact CD1-CB 3.48Å; L15-D94 VanDerWaalsContact CD1-CB 3.48Å; L15-D94 HydrophobicContact CG-CB 4.48Å; N90-D94 WeakPolarHBondContact ND2-CB 3.4Å; N90-D94 PolarHBondContact ND2-OD2 2.84Å; N90-D94 PolarHBondContact OD1-N 2.91Å; T92-D94 VanDerWaalsContact C-N 3.32Å; T92-D94 VanDerWaalsContact CB-OD2 3.31Å; T92-D94 WeakPolarHBondContact CB-OD2 3.18Å; T92-D94 PolarHBondContact O-N 3.44Å; T92-D94 PolarHBondContact OG1-OD2 3.47Å; D94-L97 PolarHBondContact O-N 3.28Å; D94-L98 VanDerWaalsContact O-CB 3.29Å; D94-L98 WeakPolarHBondContact O-CB 3.47Å; D94-L98 PolarHBondContact O-N 3.36Å; D94-K160 WeakPolarHBondContact OD1-CE 3.41Å; D94-K160 IonicContact OD1-NZ 3.95Å; D94-K160 PolarHBondContact OD1-NZ 3.44Å
95	L	72.5	Confident	69	Low	2 Å²	2	44.9 Å²	44.9	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-44.6	176.1	-81.4	-179.4	0	0	0	111.7	V10 L42 V77 V86 D89 L97 L98 R99	V10-L95 HydrophobicContact CG1-CD1 3.43Å; V10-L95 VanDerWaalsContact CG1-CD1 3.43Å; L42-L95 HydrophobicContact CD1-CD2 3.49Å; L42-L95 VanDerWaalsContact CD1-CD2 3.49Å; V77-L95 HydrophobicContact CG2-CD2 3.98Å; V86-L95 HydrophobicContact CG1-CD1 4.4Å; D89-L95 VanDerWaalsContact OD1-CB 3.31Å; D89-L95 WeakPolarHBondContact OD1-CB 3.39Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 3.15Å; L95-L98 PolarHBondContact O-N 3.29Å; L95-R99 WeakPolarHBondContact O-CG 3.37Å; L95-R99 PolarHBondContact O-N 3.14Å
96	K	69.9	Low	68.6	Low	135 Å²	135	47.2 Å²	47.2	59%	0.587	28%	0.276	S	S	*	.	H	α-helix	trans	-59.1	-44.7	175.1	-171.1	173.7	-178.8	175.5	0	111.6	G93 R99 S100	G93-K96 PolarHBondContact O-N 3.42Å; K96-R99 PolarHBondContact O-N 3.48Å; K96-S100 PolarHBondContact O-N 3.16Å; K96-S100 PolarHBondContact O-OG 3.48Å
97	L	70	Confident	68	Low	58 Å²	58	51.2 Å²	51.2	30%	0.304	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-40.2	177.6	-178.8	62.3	0	0	0	112.1	G93 D94 L95 S100 T101 I156	G93-L97 WeakPolarHBondContact O-CB 3.49Å; G93-L97 PolarHBondContact O-N 3.5Å; G93-L97 VanDerWaalsContact O-N 3.1Å; D94-L97 PolarHBondContact O-N 3.28Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 3.15Å; L97-S100 PolarHBondContact O-N 2.9Å; L97-T101 WeakPolarHBondContact O-CB 3.4Å; L97-T101 PolarHBondContact O-N 3.15Å; L97-T101 PolarHBondContact O-OG1 3.27Å; L97-I156 HydrophobicContact CD1-CD1 3.9Å; L97-I156 HydrophobicContact CD1-CG1 4.09Å; L97-I156 HydrophobicContact CD2-CB 4.39Å; L97-I156 HydrophobicContact CD2-CD1 3.65Å; L97-I156 HydrophobicContact CD2-CG1 3.77Å; L97-I156 HydrophobicContact CD2-CG2 3.74Å; L97-I156 HydrophobicContact CG-CD1 3.63Å; L97-I156 HydrophobicContact CG-CG1 4.14Å
98	L	71.4	Confident	67.8	Low	11 Å²	11	49.4 Å²	49.4	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-67.1	-44.1	178.3	-165	138	0	0	0	111	L15 L70 D94 L95 T101 L102	L15-L98 HydrophobicContact CD1-CD1 4.48Å; L15-L98 HydrophobicContact CD2-CD1 4.47Å; L70-L98 HydrophobicContact CD1-CD2 3.54Å; L70-L98 HydrophobicContact CD2-CD2 3.83Å; L70-L98 HydrophobicContact CG-CD2 4.25Å; D94-L98 VanDerWaalsContact O-CB 3.29Å; D94-L98 WeakPolarHBondContact O-CB 3.47Å; D94-L98 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 3.29Å; L98-T101 PolarHBondContact O-N 3.14Å; L98-L102 HydrophobicContact CD2-CD1 3.62Å; L98-L102 HydrophobicContact CD2-CG 4.31Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 2.77Å
99	R	75.9	Confident	66.4	Low	60 Å²	60	54.9 Å²	54.9	23%	0.226	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-46	172.5	-67.5	-174.3	-177.9	119.6	-5.1	112.4	L70 M75 V77 D89 L95 K96 T101 L102 S103	L70-R99 HydrophobicContact CD1-CG 4.32Å; M75-R99 HydrophobicContact CB-CG 4.14Å; M75-R99 PolarHBondContact O-NE 3.36Å; M75-R99 VanDerWaalsContact O-NE 3.09Å; V77-R99 VanDerWaalsContact CG2-NH2 3.31Å; D89-R99 IonicContact OD1-NH1 2.75Å; D89-R99 PolarHBondContact OD1-NH1 3.28Å; L95-R99 WeakPolarHBondContact O-CG 3.37Å; L95-R99 PolarHBondContact O-N 3.14Å; K96-R99 PolarHBondContact O-N 3.48Å; R99-T101 VanDerWaalsContact C-N 3.28Å; R99-T101 PolarHBondContact O-N 2.84Å; R99-L102 PolarHBondContact O-N 2.94Å; R99-S103 WeakPolarHBondContact O-CB 3.25Å; R99-S103 PolarHBondContact O-N 2.95Å
100	S	66.9	Low	65.1	Low	74 Å²	74	59.4 Å²	59.4	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-34.8	175.4	-70.4	0	0	0	0	112.8	K96 L97 A104	K96-S100 PolarHBondContact O-N 3.16Å; K96-S100 PolarHBondContact O-OG 3.48Å; L97-S100 PolarHBondContact O-N 2.9Å; S100-A104 WeakPolarHBondContact O-CB 3.45Å; S100-A104 PolarHBondContact O-N 3.09Å; S100-A104 VanDerWaalsContact O-N 3.08Å
101	T	67.3	Low	63.4	Low	3 Å²	3	66.9 Å²	66.9	2%	0.018	37%	0.371	C	S	.	.	H	α-helix	trans	-72.4	-44.3	178.6	-53.3	0	0	0	0	111.3	L22 L97 L98 R99 A104 I105 H152	L22-T101 HydrophobicContact CD2-CG2 3.74Å; L97-T101 WeakPolarHBondContact O-CB 3.4Å; L97-T101 PolarHBondContact O-N 3.15Å; L97-T101 PolarHBondContact O-OG1 3.27Å; L98-T101 PolarHBondContact O-N 3.14Å; R99-T101 VanDerWaalsContact C-N 3.28Å; R99-T101 PolarHBondContact O-N 2.84Å; T101-A104 WeakPolarHBondContact O-CB 3.5Å; T101-A104 PolarHBondContact O-N 3.37Å; T101-I105 HydrophobicContact CG2-CD1 4.15Å; T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.48Å; T101-I105 PolarHBondContact O-N 2.57Å; T101-H152 HydrophobicContact CG2-CB 3.79Å
102	L	71.4	Confident	62.1	Low	1 Å²	1	65.8 Å²	65.8	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-63.9	-39.9	175.5	-68.8	175.9	0	0	0	112.3	S21 L22 W27 L70 V72 M75 L98 R99 A104 I105 K106	S21-L102 WeakPolarHBondContact O-CD2 3.31Å; L22-L102 HydrophobicContact CD2-CD2 4.15Å; L22-L102 HydrophobicContact CD2-CG 4.49Å; W27-L102 HydrophobicContact CZ2-CD2 3.8Å; L70-L102 HydrophobicContact CD2-CD1 3.38Å; V72-L102 HydrophobicContact CG1-CD2 4.28Å; M75-L102 HydrophobicContact CE-CB 4.44Å; L98-L102 HydrophobicContact CD2-CD1 3.62Å; L98-L102 HydrophobicContact CD2-CG 4.31Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 2.77Å; R99-L102 PolarHBondContact O-N 2.94Å; L102-A104 VanDerWaalsContact C-N 3.31Å; L102-A104 PolarHBondContact O-N 2.78Å; L102-I105 PolarHBondContact O-N 2.9Å; L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 PolarHBondContact O-N 3.15Å
103	S	70.5	Confident	60.5	Low	60 Å²	60	66.2 Å²	66.2	42%	0.42	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-39.3	173.8	-172.6	0	0	0	0	111.9	R99 K106 S107	R99-S103 WeakPolarHBondContact O-CB 3.25Å; R99-S103 PolarHBondContact O-N 2.95Å; S103-K106 PolarHBondContact O-N 2.87Å; S103-S107 WeakPolarHBondContact O-CB 3.43Å; S103-S107 PolarHBondContact O-N 3.23Å; S103-S107 VanDerWaalsContact O-N 3.08Å; S103-S107 PolarHBondContact O-OG 3.37Å; S103-S107 VanDerWaalsContact O-OG 3.1Å
104	A	68	Low	59.2	Low	28 Å²	28	70.3 Å²	70.3	23%	0.231	37%	0.371	C	S	.	.	H	α-helix	trans	-65.1	-44.6	176.2	0	0	0	0	0	111.6	S100 T101 L102 K106 S107	S100-A104 WeakPolarHBondContact O-CB 3.45Å; S100-A104 PolarHBondContact O-N 3.09Å; S100-A104 VanDerWaalsContact O-N 3.08Å; T101-A104 WeakPolarHBondContact O-CB 3.5Å; T101-A104 PolarHBondContact O-N 3.37Å; L102-A104 VanDerWaalsContact C-N 3.31Å; L102-A104 PolarHBondContact O-N 2.78Å; A104-K106 VanDerWaalsContact C-N 3.34Å; A104-K106 PolarHBondContact O-N 3.48Å; A104-S107 WeakPolarHBondContact CA-OG 3.43Å; A104-S107 PolarHBondContact O-N 2.81Å; A104-S107 PolarHBondContact O-OG 2.88Å
105	I	68.8	Low	57.7	Low	0 Å²	0	81.9 Å²	81.9	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-59.7	-43.4	175.9	-66.8	164.9	0	0	0	110.9	L22 P24 W27 T101 L102 S107 Q145 A149	L22-I105 HydrophobicContact CD2-CD1 4.45Å; P24-I105 HydrophobicContact CG-CG2 3.81Å; W27-I105 HydrophobicContact CH2-CG2 3.9Å; W27-I105 HydrophobicContact CZ2-CG2 4.19Å; T101-I105 HydrophobicContact CG2-CD1 4.15Å; T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.48Å; T101-I105 PolarHBondContact O-N 2.57Å; L102-I105 PolarHBondContact O-N 2.9Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.77Å; I105-Q145 HydrophobicContact CG2-CB 4.35Å; I105-Q145 HydrophobicContact CG2-CG 4.45Å; I105-A149 HydrophobicContact CD1-CB 3.94Å
106	K	66.6	Low	56.1	Low	108 Å²	108	86.1 Å²	86.1	47%	0.47	44%	0.444	S	S	.	.	H	α-helix	trans	-68.7	-29	179.3	-166.1	177.9	-174.1	-179.7	0	113.4	N73 M75 L102 S103 A104	N73-K106 PolarHBondContact O-NZ 2.93Å; M75-K106 HydrophobicContact CE-CD 4.17Å; L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 PolarHBondContact O-N 3.15Å; S103-K106 PolarHBondContact O-N 2.87Å; A104-K106 VanDerWaalsContact C-N 3.34Å; A104-K106 PolarHBondContact O-N 3.48Å
107	S	62.3	Low	54.8	Low	89 Å²	89	83.4 Å²	83.4	62%	0.622	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.1	-174.7	63.9	0	0	0	0	115.4	S103 A104 I105 N109	S103-S107 WeakPolarHBondContact O-CB 3.43Å; S103-S107 PolarHBondContact O-N 3.23Å; S103-S107 VanDerWaalsContact O-N 3.08Å; S103-S107 PolarHBondContact O-OG 3.37Å; S103-S107 VanDerWaalsContact O-OG 3.1Å; A104-S107 WeakPolarHBondContact CA-OG 3.43Å; A104-S107 PolarHBondContact O-N 2.81Å; A104-S107 PolarHBondContact O-OG 2.88Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.77Å; S107-N109 PolarHBondContact O-N 3.3Å
108	Q	57.1	Low	53.2	Low	46 Å²	46	88.9 Å²	88.9	22%	0.215	48%	0.48	C	S	.	.			trans	-80.7	100.5	-179.4	-76	-175.8	-23.4	0	0	112.1	T148	Q108-T148 VanDerWaalsContact NE2-CG2 3.27Å; Q108-T148 PolarHBondContact NE2-OG1 3.1Å; Q108-T148 PolarHBondContact OE1-OG1 3.48Å
109	N	38.9	Very low	51.4	Low	144 Å²	144	95 Å²	95	77%	0.77	52%	0.517	S	S	*	.			trans	-106.1	104.5	159	-87.7	-20.6	0	0	0	108.4	S107	S107-N109 PolarHBondContact O-N 3.3Å
110	Y	41.5	Very low	49.1	Very low	158 Å²	158	100.2 Å²	100.2	62%	0.62	55%	0.549	S	S	*	.			trans	-120.3	129	164.4	-74.5	-72.7	0	0	0	109.9
111	H	34.2	Very low	47.5	Very low	165 Å²	165	108.4 Å²	108.4	76%	0.764	57%	0.568	S	S	*	*	S	Bend	trans	-79.6	111.9	160.9	-173.7	-80.1	0	0	0	107.2
112	C	32.1	Very low	46.3	Very low	92 Å²	92	113.9 Å²	113.9	62%	0.622	61%	0.607	S	S	*	*			trans	37.1	102	167.3	-174.5	0	0	0	0	117.1
113	M	32.2	Very low	44.2	Very low	112 Å²	112	122.8 Å²	122.8	55%	0.552	65%	0.651	S	S	*	*			trans	-102.2	122.8	159.5	-67.7	-171.1	66.4	0	0	109.4
114	T	37.2	Very low	42.1	Very low	114 Å²	114	123.4 Å²	123.4	70%	0.699	67%	0.667	S	S	*	*			trans	-88.3	157.3	166.6	51.9	0	0	0	0	111.4	S116	T114-S116 PolarHBondContact O-N 3.06Å
115	R	36.1	Very low	40.8	Very low	259 Å²	259	129 Å²	129	98%	0.977	70%	0.698	S	S	*	*	S	Bend	trans	-61.6	20.3	-158.7	-155.8	179	165.5	-160.6	-2.9	118.1
116	S	39.8	Very low	38.9	Very low	92 Å²	92	134.9 Å²	134.9	64%	0.643	74%	0.739	S	S	*	*	S	Bend	trans	-137.9	99.5	174.4	56.6	0	0	0	0	109.2	T114 M118	T114-S116 PolarHBondContact O-N 3.06Å; S116-M118 VanDerWaalsContact C-N 3.29Å; S116-M118 PolarHBondContact O-N 2.97Å
117	G	43.2	Very low	37.4	Very low	77 Å²	77	137 Å²	137	79%	0.794	76%	0.756	S	S	*	*			trans	-61	77.2	-173.1	0	0	0	0	0	115.4
118	M	34.9	Very low	35.9	Very low	173 Å²	173	139.6 Å²	139.6	85%	0.852	76%	0.763	S	S	*	*			trans	-123	125.8	160.7	-78.3	-150.4	-68.2	0	0	109.7	S116	S116-M118 VanDerWaalsContact C-N 3.29Å; S116-M118 PolarHBondContact O-N 2.97Å
119	V	34	Very low	34.5	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	79%	0.786	S	S	*	*			trans	-83.8	115.1	173.4	178	0	0	0	0	108
120	L	27.9	Very low	34.1	Very low	170 Å²	170	145.7 Å²	145.7	89%	0.89	79%	0.79	S	S	*	*			trans	-97.3	136.5	165.3	-86.5	170.1	0	0	0	110.7
121	R	33.1	Very low	33.9	Very low	245 Å²	245	147.6 Å²	147.6	93%	0.925	80%	0.802	S	S	*	*			trans	-67.6	147.8	177.5	-65.3	179.8	-162	-140.7	1.7	110.8
122	S	41.6	Very low	34.1	Very low	119 Å²	119	147.3 Å²	147.3	83%	0.832	81%	0.805	S	S	*	*			trans	-37	137.6	172.5	-179.7	0	0	0	0	115.9
123	M	27.3	Very low	34.4	Very low	188 Å²	188	151.6 Å²	151.6	93%	0.926	81%	0.809	S	S	*	*			trans	-166.3	137.1	144	-109.2	-174.3	74.4	0	0	112.2
124	G	27.2	Very low	34.9	Very low	73 Å²	73	153.2 Å²	153.2	75%	0.753	82%	0.82	S	S	*	*			trans	103.7	112.8	144	0	0	0	0	0	118
125	T	41.9	Very low	35.2	Very low	145 Å²	145	150.2 Å²	150.2	89%	0.89	81%	0.812	S	S	*	*			trans	-64.1	136.9	166.3	50.4	0	0	0	0	113.1
126	S	28.3	Very low	35.4	Very low	123 Å²	123	140 Å²	140	86%	0.86	78%	0.783	S	S	*	*			trans	-172.6	135.7	137.2	58.2	0	0	0	0	111.1
127	D	34.2	Very low	35.6	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	78%	0.777	S	S	*	*			trans	-64.6	163.2	177.7	-98.2	-30.1	0	0	0	114.9
128	D	31.2	Very low	35.8	Very low	145 Å²	145	140 Å²	140	78%	0.775	76%	0.758	S	S	*	*			trans	70.8	106.4	160.6	-70	-22.3	0	0	0	119.3
129	S	28	Very low	36.5	Very low	100 Å²	100	136.9 Å²	136.9	70%	0.699	75%	0.745	S	S	*	*				165.3	146.9	98.6	58.3	0	0	0	0	114.5
130	Y	29.6	Very low	37.2	Very low	218 Å²	218	134.9 Å²	134.9	86%	0.855	73%	0.729	S	S	*	*			trans	82.2	103.3	161.6	-73.2	-83.1	0	0	0	121.7
131	F	39.1	Very low	38.4	Very low	198 Å²	198	130.8 Å²	130.8	87%	0.868	71%	0.705	S	S	*	*			trans	-49.8	128.9	144.4	-79	-97.2	0	0	0	111.7
132	L	36.5	Very low	39.3	Very low	159 Å²	159	121.5 Å²	121.5	83%	0.832	67%	0.674	S	S	*	*			trans	169.7	140.1	135.8	-88.8	158.1	0	0	0	109.1
133	Y	40.1	Very low	39.8	Very low	182 Å²	182	121 Å²	121	71%	0.714	66%	0.659	S	S	*	*			trans	101.6	48.4	178	-65.8	-83.5	0	0	0	119.3	G135 A136 Q137	Y133-G135 PolarHBondContact O-N 3.34Å; Y133-A136 HydrophobicContact CD1-CB 4.14Å; Y133-A136 HydrophobicContact CG-CB 4.47Å; Y133-A136 PolarHBondContact O-N 3Å; Y133-Q137 PolarHBondContact O-N 3.36Å
134	D	42.5	Very low	41.3	Very low	145 Å²	145	115.5 Å²	115.5	78%	0.775	63%	0.633	S	S	*	*	H	α-helix	trans	-58.6	-32.4	165.4	-164	25.4	0	0	0	112.7	S138	D134-S138 PolarHBondContact O-N 3.44Å
135	G	41.9	Very low	42.6	Very low	52 Å²	52	113.7 Å²	113.7	54%	0.536	61%	0.605	S	S	.	*	H	α-helix	trans	-71.1	-33.1	178.4	0	0	0	0	0	115.1	Y133 L139	Y133-G135 PolarHBondContact O-N 3.34Å; G135-L139 PolarHBondContact O-N 3.15Å
136	A	41.5	Very low	43.2	Very low	43 Å²	43	109.4 Å²	109.4	36%	0.355	58%	0.575	S	S	.	*	H	α-helix	trans	-79.1	-33.1	-178.9	0	0	0	0	0	111.8	Y133 L139 L140	Y133-A136 HydrophobicContact CD1-CB 4.14Å; Y133-A136 HydrophobicContact CG-CB 4.47Å; Y133-A136 PolarHBondContact O-N 3Å; A136-L139 PolarHBondContact O-N 2.71Å; A136-L140 WeakPolarHBondContact O-CB 3.42Å; A136-L140 VanDerWaalsContact O-CG 3.29Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 2.75Å
137	Q	44.6	Very low	44.6	Very low	110 Å²	110	111.5 Å²	111.5	51%	0.514	57%	0.565	S	S	.	*	H	α-helix	trans	-71	-39.4	178.9	-162.4	161.5	0.2	0	0	111.9	Y133 L140 Q141	Y133-Q137 PolarHBondContact O-N 3.36Å; Q137-L140 PolarHBondContact O-N 2.92Å; Q137-Q141 WeakPolarHBondContact O-CB 3.48Å; Q137-Q141 PolarHBondContact O-N 2.79Å
138	S	46.9	Very low	45.8	Very low	59 Å²	59	105.2 Å²	105.2	41%	0.413	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-39.4	170	173	0	0	0	0	112.7	D134 Q141 N142	D134-S138 PolarHBondContact O-N 3.44Å; S138-Q141 PolarHBondContact O-N 2.79Å; S138-N142 WeakPolarHBondContact O-CB 3.27Å; S138-N142 PolarHBondContact O-N 3.48Å; S138-N142 PolarHBondContact O-ND2 3.22Å
139	L	48.8	Very low	47	Very low	108 Å²	108	98.7 Å²	98.7	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-66.2	-44.5	177.1	-122.2	141.9	0	0	0	111.8	G135 A136 N142 E143	G135-L139 PolarHBondContact O-N 3.15Å; A136-L139 PolarHBondContact O-N 2.71Å; L139-N142 PolarHBondContact O-N 2.83Å; L139-E143 WeakPolarHBondContact O-CG 3.33Å; L139-E143 PolarHBondContact O-N 3.25Å
140	L	49.5	Very low	48.3	Very low	99 Å²	99	97.5 Å²	97.5	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-40.4	175.5	-72.8	164.8	0	0	0	112.2	A136 Q137 E143 D144	A136-L140 WeakPolarHBondContact O-CB 3.42Å; A136-L140 VanDerWaalsContact O-CG 3.29Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 2.75Å; Q137-L140 PolarHBondContact O-N 2.92Å; L140-E143 PolarHBondContact O-N 3.1Å; L140-D144 PolarHBondContact O-N 2.8Å
141	Q	53.1	Low	50	Low	84 Å²	84	93 Å²	93	39%	0.393	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-39	176.2	-165.9	170.8	21.5	0	0	111.9	Q137 S138 Q145	Q137-Q141 WeakPolarHBondContact O-CB 3.48Å; Q137-Q141 PolarHBondContact O-N 2.79Å; S138-Q141 PolarHBondContact O-N 2.79Å; Q141-Q145 VanDerWaalsContact O-CG 3.29Å; Q141-Q145 WeakPolarHBondContact O-CG 3.46Å; Q141-Q145 PolarHBondContact O-N 2.89Å; Q141-Q145 VanDerWaalsContact O-N 3.07Å
142	N	51.5	Low	50.8	Low	50 Å²	50	85.4 Å²	85.4	27%	0.267	43%	0.433	S	S	.	.	H	α-helix	trans	-67.1	-36.7	173.1	-81	-60.4	0	0	0	112.5	S138 L139 M146	S138-N142 WeakPolarHBondContact O-CB 3.27Å; S138-N142 PolarHBondContact O-N 3.48Å; S138-N142 PolarHBondContact O-ND2 3.22Å; L139-N142 PolarHBondContact O-N 2.83Å; N142-M146 VanDerWaalsContact O-CB 3.27Å; N142-M146 WeakPolarHBondContact O-CB 3.44Å; N142-M146 PolarHBondContact O-N 2.88Å
143	E	52.9	Low	51.7	Low	109 Å²	109	82.5 Å²	82.5	51%	0.509	41%	0.411	S	S	.	.	H	α-helix	trans	-66	-42.5	174.8	-75.4	-162.1	157.9	0	0	112.3	L139 L140 M146 Y147	L139-E143 WeakPolarHBondContact O-CG 3.33Å; L139-E143 PolarHBondContact O-N 3.25Å; L140-E143 PolarHBondContact O-N 3.1Å; E143-M146 PolarHBondContact O-N 3.49Å; E143-Y147 WeakPolarHBondContact O-CB 3.46Å; E143-Y147 PolarHBondContact O-N 2.97Å
144	D	57.3	Low	52.6	Low	72 Å²	72	82.3 Å²	82.3	39%	0.385	41%	0.409	S	S	.	.	H	α-helix	trans	-66.3	-41.5	177.6	-80.7	-15.9	0	0	0	112.4	L140 M146 Y147 T148	L140-D144 PolarHBondContact O-N 2.8Å; D144-M146 VanDerWaalsContact C-N 3.33Å; D144-Y147 PolarHBondContact O-N 3.48Å; D144-T148 WeakPolarHBondContact O-CB 3.18Å; D144-T148 PolarHBondContact O-N 2.84Å; D144-T148 PolarHBondContact O-OG1 2.89Å
145	Q	55.9	Low	53.6	Low	34 Å²	34	82.6 Å²	82.6	16%	0.159	40%	0.399	C	S	.	.	H	α-helix	trans	-64.3	-39.2	173.5	-72	178.5	-1.8	0	0	111.5	P24 I105 Q141 T148 A149	P24-Q145 HydrophobicContact CG-CB 4.01Å; I105-Q145 HydrophobicContact CG2-CB 4.35Å; I105-Q145 HydrophobicContact CG2-CG 4.45Å; Q141-Q145 VanDerWaalsContact O-CG 3.29Å; Q141-Q145 WeakPolarHBondContact O-CG 3.46Å; Q141-Q145 PolarHBondContact O-N 2.89Å; Q141-Q145 VanDerWaalsContact O-N 3.07Å; Q145-T148 PolarHBondContact O-N 3.46Å; Q145-A149 WeakPolarHBondContact O-CB 3.26Å; Q145-A149 PolarHBondContact O-N 3.48Å
146	M	54.3	Low	54.3	Low	55 Å²	55	81.7 Å²	81.7	27%	0.271	38%	0.382	S	S	.	.	H	α-helix	trans	-68.2	-40	176	-175.9	144.8	66.5	0	0	112	N142 E143 D144 T148 A149 L150	N142-M146 VanDerWaalsContact O-CB 3.27Å; N142-M146 WeakPolarHBondContact O-CB 3.44Å; N142-M146 PolarHBondContact O-N 2.88Å; E143-M146 PolarHBondContact O-N 3.49Å; D144-M146 VanDerWaalsContact C-N 3.33Å; M146-T148 VanDerWaalsContact C-N 3.31Å; M146-T148 PolarHBondContact O-N 2.89Å; M146-A149 PolarHBondContact O-N 3.01Å; M146-L150 HydrophobicContact CG-CD1 4.1Å; M146-L150 HydrophobicContact CG-CG 4.46Å; M146-L150 WeakPolarHBondContact O-CB 3.49Å; M146-L150 VanDerWaalsContact O-CG 3.27Å; M146-L150 WeakPolarHBondContact O-CG 3.28Å; M146-L150 PolarHBondContact O-N 3.46Å
147	Y	56.8	Low	55	Low	167 Å²	167	83.9 Å²	83.9	66%	0.655	39%	0.387	S	S	*	.	H	α-helix	trans	-61.4	-42.6	174.7	-167.3	-89.8	0	0	0	111.1	E143 D144 L150 W151	E143-Y147 WeakPolarHBondContact O-CB 3.46Å; E143-Y147 PolarHBondContact O-N 2.97Å; D144-Y147 PolarHBondContact O-N 3.48Å; Y147-L150 PolarHBondContact O-N 3.3Å; Y147-W151 VanDerWaalsContact O-CB 3.31Å; Y147-W151 WeakPolarHBondContact O-CB 3.26Å; Y147-W151 PolarHBondContact O-N 3.35Å
148	T	58.9	Low	55.7	Low	20 Å²	20	83.9 Å²	83.9	12%	0.123	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-46.8	175.6	-60.9	0	0	0	0	111.4	Q108 D144 Q145 M146 L150 W151 H152	Q108-T148 VanDerWaalsContact NE2-CG2 3.27Å; Q108-T148 PolarHBondContact NE2-OG1 3.1Å; Q108-T148 PolarHBondContact OE1-OG1 3.48Å; D144-T148 WeakPolarHBondContact O-CB 3.18Å; D144-T148 PolarHBondContact O-N 2.84Å; D144-T148 PolarHBondContact O-OG1 2.89Å; Q145-T148 PolarHBondContact O-N 3.46Å; M146-T148 VanDerWaalsContact C-N 3.31Å; M146-T148 PolarHBondContact O-N 2.89Å; T148-L150 VanDerWaalsContact C-N 3.34Å; T148-L150 PolarHBondContact O-N 2.84Å; T148-W151 PolarHBondContact O-N 3.37Å; T148-H152 WeakPolarHBondContact O-CB 3.47Å; T148-H152 PolarHBondContact O-CD2 3.41Å; T148-H152 VanDerWaalsContact O-CD2 3.25Å; T148-H152 PolarHBondContact O-N 2.89Å
149	A	56.6	Low	56.6	Low	8 Å²	8	82 Å²	82	7%	0.066	38%	0.378	C	S	.	.	H	α-helix	trans	-59	-43.6	175.5	0	0	0	0	0	112.4	L22 I105 Q145 M146 R153	L22-A149 WeakPolarHBondContact O-CB 3.45Å; I105-A149 HydrophobicContact CD1-CB 3.94Å; Q145-A149 WeakPolarHBondContact O-CB 3.26Å; Q145-A149 PolarHBondContact O-N 3.48Å; M146-A149 PolarHBondContact O-N 3.01Å; A149-R153 VanDerWaalsContact O-CB 3.32Å; A149-R153 WeakPolarHBondContact O-CB 3.26Å; A149-R153 PolarHBondContact O-N 2.94Å
150	L	55.7	Low	57.2	Low	75 Å²	75	80.8 Å²	80.8	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-67.8	-39.9	177.6	-71.9	171.9	0	0	0	112.4	M146 Y147 T148 R153 R154	M146-L150 HydrophobicContact CG-CD1 4.1Å; M146-L150 HydrophobicContact CG-CG 4.46Å; M146-L150 WeakPolarHBondContact O-CB 3.49Å; M146-L150 VanDerWaalsContact O-CG 3.27Å; M146-L150 WeakPolarHBondContact O-CG 3.28Å; M146-L150 PolarHBondContact O-N 3.46Å; Y147-L150 PolarHBondContact O-N 3.3Å; T148-L150 VanDerWaalsContact C-N 3.34Å; T148-L150 PolarHBondContact O-N 2.84Å; L150-R153 PolarHBondContact O-N 3.18Å; L150-R154 WeakPolarHBondContact O-CB 3.46Å; L150-R154 WeakPolarHBondContact O-CG 3.01Å; L150-R154 PolarHBondContact O-N 3.06Å
151	W	65.7	Low	58.2	Low	125 Å²	125	80.8 Å²	80.8	47%	0.473	37%	0.368	S	S	.	.	H	α-helix	trans	-63.4	-47.2	175.8	-175.9	93.3	0	0	0	111.3	Y147 T148 R154 R155	Y147-W151 VanDerWaalsContact O-CB 3.31Å; Y147-W151 WeakPolarHBondContact O-CB 3.26Å; Y147-W151 PolarHBondContact O-N 3.35Å; T148-W151 PolarHBondContact O-N 3.37Å; W151-R154 PolarHBondContact O-N 3.3Å; W151-R155 WeakPolarHBondContact O-CB 3.36Å; W151-R155 PolarHBondContact O-N 2.82Å
152	H	54.9	Low	58.9	Low	37 Å²	37	82.9 Å²	82.9	17%	0.171	38%	0.376	C	S	.	.	H	α-helix	trans	-63.1	-42.6	175.4	-84.7	-90.1	0	0	0	111.6	T101 T148 R154 R155 I156	T101-H152 HydrophobicContact CG2-CB 3.79Å; T148-H152 WeakPolarHBondContact O-CB 3.47Å; T148-H152 PolarHBondContact O-CD2 3.41Å; T148-H152 VanDerWaalsContact O-CD2 3.25Å; T148-H152 PolarHBondContact O-N 2.89Å; H152-R154 PolarHBondContact O-N 3.05Å; H152-R155 PolarHBondContact O-N 3.04Å; H152-I156 WeakPolarHBondContact O-CG1 3.33Å; H152-I156 PolarHBondContact O-N 2.84Å
153	R	56.7	Low	59.6	Low	98 Å²	98	87.1 Å²	87.1	37%	0.37	39%	0.388	S	S	.	.	H	α-helix	trans	-56	-49	173.4	-175.8	-176.5	-176.4	-161.4	7.8	111.2	Q17 D18 A149 L150 R155 I156 L157	Q17-R153 PolarHBondContact O-NH2 3.43Å; D18-R153 IonicContact OD1-NH2 2.78Å; D18-R153 PolarHBondContact OD1-NH2 3.29Å; A149-R153 VanDerWaalsContact O-CB 3.32Å; A149-R153 WeakPolarHBondContact O-CB 3.26Å; A149-R153 PolarHBondContact O-N 2.94Å; L150-R153 PolarHBondContact O-N 3.18Å; R153-R155 PolarHBondContact O-N 3.25Å; R153-I156 PolarHBondContact O-N 3.45Å; R153-L157 HydrophobicContact CG-CD1 4.05Å; R153-L157 WeakPolarHBondContact O-CG 3.44Å; R153-L157 PolarHBondContact O-N 3.13Å
154	R	59.5	Low	60.4	Low	179 Å²	179	85.2 Å²	85.2	68%	0.675	38%	0.384	S	S	*	.	H	α-helix	trans	-62.1	-43.2	178.1	-75.1	176.1	179	-177.4	1.1	111.9	L150 W151 H152 I156 L157 M158	L150-R154 WeakPolarHBondContact O-CB 3.46Å; L150-R154 WeakPolarHBondContact O-CG 3.01Å; L150-R154 PolarHBondContact O-N 3.06Å; W151-R154 PolarHBondContact O-N 3.3Å; H152-R154 PolarHBondContact O-N 3.05Å; R154-I156 VanDerWaalsContact C-N 3.33Å; R154-I156 PolarHBondContact O-N 2.89Å; R154-L157 PolarHBondContact O-N 2.91Å; R154-M158 WeakPolarHBondContact O-CB 3.42Å; R154-M158 VanDerWaalsContact O-CG 3.31Å; R154-M158 WeakPolarHBondContact O-CG 3.41Å; R154-M158 PolarHBondContact O-N 3.08Å
155	R	63.1	Low	61.3	Low	150 Å²	150	89.8 Å²	89.8	57%	0.566	40%	0.396	S	S	*	.	H	α-helix	trans	-62.6	-39.2	177.3	-162.9	176.1	92.1	163.4	3.7	112.3	W151 H152 R153 G159	W151-R155 WeakPolarHBondContact O-CB 3.36Å; W151-R155 PolarHBondContact O-N 2.82Å; H152-R155 PolarHBondContact O-N 3.04Å; R153-R155 PolarHBondContact O-N 3.25Å; R155-G159 PolarHBondContact O-N 3.23Å
156	I	55.4	Low	62	Low	33 Å²	33	92.5 Å²	92.5	17%	0.169	41%	0.407	C	S	.	.	H	α-helix	trans	-68.9	-46.2	178.2	-67.2	170.2	0	0	0	111	L97 H152 R153 R154 G159 K160	L97-I156 HydrophobicContact CD1-CD1 3.9Å; L97-I156 HydrophobicContact CD1-CG1 4.09Å; L97-I156 HydrophobicContact CD2-CB 4.39Å; L97-I156 HydrophobicContact CD2-CD1 3.65Å; L97-I156 HydrophobicContact CD2-CG1 3.77Å; L97-I156 HydrophobicContact CD2-CG2 3.74Å; L97-I156 HydrophobicContact CG-CD1 3.63Å; L97-I156 HydrophobicContact CG-CG1 4.14Å; H152-I156 WeakPolarHBondContact O-CG1 3.33Å; H152-I156 PolarHBondContact O-N 2.84Å; R153-I156 PolarHBondContact O-N 3.45Å; R154-I156 VanDerWaalsContact C-N 3.33Å; R154-I156 PolarHBondContact O-N 2.89Å; I156-G159 PolarHBondContact O-N 3.37Å; I156-K160 HydrophobicContact CG2-CD 4.49Å; I156-K160 WeakPolarHBondContact O-CG 3.48Å; I156-K160 PolarHBondContact O-N 3.17Å
157	L	57.1	Low	62.7	Low	90 Å²	90	94.5 Å²	94.5	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-61.8	-47.1	177.8	-71.7	171	0	0	0	111.1	R153 R154 G159 K160 I161	R153-L157 HydrophobicContact CG-CD1 4.05Å; R153-L157 WeakPolarHBondContact O-CG 3.44Å; R153-L157 PolarHBondContact O-N 3.13Å; R154-L157 PolarHBondContact O-N 2.91Å; L157-G159 PolarHBondContact O-N 3.49Å; L157-K160 PolarHBondContact O-N 3.41Å; L157-I161 WeakPolarHBondContact O-CD1 3.47Å; L157-I161 VanDerWaalsContact O-CG1 3.27Å; L157-I161 WeakPolarHBondContact O-CG1 3.43Å; L157-I161 PolarHBondContact O-N 2.93Å
158	M	59.9	Low	63.4	Low	109 Å²	109	93.1 Å²	93.1	54%	0.537	42%	0.415	S	S	.	.	H	α-helix	trans	-60.7	-46	174.8	-73.8	-60.9	-152.3	0	0	111.6	R154 K160 I161 F162	R154-M158 WeakPolarHBondContact O-CB 3.42Å; R154-M158 VanDerWaalsContact O-CG 3.31Å; R154-M158 WeakPolarHBondContact O-CG 3.41Å; R154-M158 PolarHBondContact O-N 3.08Å; M158-K160 VanDerWaalsContact C-N 3.29Å; M158-K160 PolarHBondContact O-N 3.14Å; M158-I161 PolarHBondContact O-N 3.24Å; M158-F162 HydrophobicContact CB-CD2 4.29Å; M158-F162 HydrophobicContact CB-CE2 4.26Å; M158-F162 WeakPolarHBondContact O-CD2 3.29Å; M158-F162 PolarHBondContact O-N 3.33Å; M158-F162 HydrophobicContact SD-CE2 4.34Å
159	G	64.8	Low	64.2	Low	19 Å²	19	93 Å²	93	20%	0.196	42%	0.415	C	S	.	.	H	α-helix	trans	-61.5	-34.6	177.3	0	0	0	0	0	113.4	R155 I156 L157 R163	R155-G159 PolarHBondContact O-N 3.23Å; I156-G159 PolarHBondContact O-N 3.37Å; L157-G159 PolarHBondContact O-N 3.49Å; G159-R163 WeakPolarHBondContact O-CB 3.39Å; G159-R163 VanDerWaalsContact O-CG 3.29Å; G159-R163 WeakPolarHBondContact O-CG 3.16Å; G159-R163 VanDerWaalsContact O-CZ 3.25Å; G159-R163 PolarHBondContact O-N 3.13Å; G159-R163 VanDerWaalsContact O-N 3.13Å; G159-R163 PolarHBondContact O-NE 3.44Å
160	K	62	Low	65	Low	83 Å²	83	97.4 Å²	97.4	36%	0.361	44%	0.444	S	S	.	.	H	α-helix	trans	-66.9	-49.2	172.8	-76.3	-175.8	178.3	-172.7	0	110.5	D94 I156 L157 M158 F162 R163 T164	D94-K160 WeakPolarHBondContact OD1-CE 3.41Å; D94-K160 IonicContact OD1-NZ 3.95Å; D94-K160 PolarHBondContact OD1-NZ 3.44Å; I156-K160 HydrophobicContact CG2-CD 4.49Å; I156-K160 WeakPolarHBondContact O-CG 3.48Å; I156-K160 PolarHBondContact O-N 3.17Å; L157-K160 PolarHBondContact O-N 3.41Å; M158-K160 VanDerWaalsContact C-N 3.29Å; M158-K160 PolarHBondContact O-N 3.14Å; K160-F162 PolarHBondContact O-N 2.87Å; K160-R163 PolarHBondContact O-N 3.35Å; K160-T164 PolarHBondContact O-N 3.18Å; K160-T164 PolarHBondContact O-OG1 3.12Å
161	I	71.1	Confident	66	Low	100 Å²	100	99.8 Å²	99.8	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-58.4	-46.7	178.7	-66	162.5	0	0	0	111.5	L157 M158 R163 T164 W165	L157-I161 WeakPolarHBondContact O-CD1 3.47Å; L157-I161 VanDerWaalsContact O-CG1 3.27Å; L157-I161 WeakPolarHBondContact O-CG1 3.43Å; L157-I161 PolarHBondContact O-N 2.93Å; M158-I161 PolarHBondContact O-N 3.24Å; I161-R163 VanDerWaalsContact C-N 3.33Å; I161-R163 PolarHBondContact O-N 2.92Å; I161-T164 PolarHBondContact O-N 2.89Å; I161-T164 PolarHBondContact O-OG1 2.92Å; I161-W165 WeakPolarHBondContact O-CB 3.15Å; I161-W165 PolarHBondContact O-N 2.99Å
162	F	66.5	Low	66.4	Low	128 Å²	128	93.9 Å²	93.9	56%	0.561	43%	0.434	S	S	*	.	H	α-helix	trans	-66.2	-34	178.4	-77.8	-66.4	0	0	0	112.6	M158 K160 F166	M158-F162 HydrophobicContact CB-CD2 4.29Å; M158-F162 HydrophobicContact CB-CE2 4.26Å; M158-F162 WeakPolarHBondContact O-CD2 3.29Å; M158-F162 PolarHBondContact O-N 3.33Å; M158-F162 HydrophobicContact SD-CE2 4.34Å; K160-F162 PolarHBondContact O-N 2.87Å; F162-F166 WeakPolarHBondContact O-CB 3.13Å; F162-F166 PolarHBondContact O-N 3.31Å
163	R	66.7	Low	67.3	Low	138 Å²	138	99.2 Å²	99.2	52%	0.521	45%	0.452	S	S	.	.	H	α-helix	trans	-68.6	-49.2	174.4	-79.4	-174.5	-67.2	-97.3	0.7	112	G159 K160 I161 W165 F166 E167	G159-R163 WeakPolarHBondContact O-CB 3.39Å; G159-R163 VanDerWaalsContact O-CG 3.29Å; G159-R163 WeakPolarHBondContact O-CG 3.16Å; G159-R163 VanDerWaalsContact O-CZ 3.25Å; G159-R163 PolarHBondContact O-N 3.13Å; G159-R163 VanDerWaalsContact O-N 3.13Å; G159-R163 PolarHBondContact O-NE 3.44Å; K160-R163 PolarHBondContact O-N 3.35Å; I161-R163 VanDerWaalsContact C-N 3.33Å; I161-R163 PolarHBondContact O-N 2.92Å; R163-W165 VanDerWaalsContact C-N 3.32Å; R163-W165 PolarHBondContact O-N 3.25Å; R163-F166 PolarHBondContact O-N 3.44Å; R163-E167 WeakPolarHBondContact O-CB 3.08Å; R163-E167 VanDerWaalsContact O-CG 3.31Å; R163-E167 WeakPolarHBondContact O-CG 3.42Å; R163-E167 PolarHBondContact O-N 2.98Å
164	T	70.3	Confident	68.1	Low	69 Å²	69	101 Å²	101	42%	0.423	46%	0.462	S	S	.	.	H	α-helix	trans	-63.7	-38.8	176.4	18.1	0	0	0	0	111.9	K160 I161 E167 Q168	K160-T164 PolarHBondContact O-N 3.18Å; K160-T164 PolarHBondContact O-OG1 3.12Å; I161-T164 PolarHBondContact O-N 2.89Å; I161-T164 PolarHBondContact O-OG1 2.92Å; T164-E167 PolarHBondContact O-N 3.04Å; T164-Q168 WeakPolarHBondContact O-CB 3.3Å; T164-Q168 VanDerWaalsContact O-CG 3.28Å; T164-Q168 WeakPolarHBondContact O-CG 3.48Å; T164-Q168 PolarHBondContact O-N 3.13Å
165	W	76.1	Confident	68.8	Low	169 Å²	169	97.8 Å²	97.8	64%	0.64	45%	0.454	S	S	*	.	H	α-helix	trans	-62.6	-45.3	173.7	175.8	81.6	0	0	0	111.6	I161 R163 Q168 S169	I161-W165 WeakPolarHBondContact O-CB 3.15Å; I161-W165 PolarHBondContact O-N 2.99Å; R163-W165 VanDerWaalsContact C-N 3.32Å; R163-W165 PolarHBondContact O-N 3.25Å; W165-Q168 PolarHBondContact O-N 2.88Å; W165-S169 PolarHBondContact O-N 2.84Å
166	F	69.8	Low	69.1	Low	90 Å²	90	95.4 Å²	95.4	40%	0.395	45%	0.449	S	S	.	.	H	α-helix	trans	-63.7	-42.9	178.2	-172.7	-96.7	0	0	0	111.6	F162 R163 Q168 S169 G172	F162-F166 WeakPolarHBondContact O-CB 3.13Å; F162-F166 PolarHBondContact O-N 3.31Å; R163-F166 PolarHBondContact O-N 3.44Å; F166-Q168 VanDerWaalsContact C-N 3.32Å; F166-Q168 PolarHBondContact O-N 2.88Å; F166-S169 WeakPolarHBondContact O-CB 3.4Å; F166-S169 PolarHBondContact O-N 2.88Å; F166-S169 PolarHBondContact O-OG 2.91Å; F166-G172 WeakPolarHBondContact O-CA 3.47Å
167	E	68.9	Low	69.9	Low	98 Å²	98	100.3 Å²	100.3	46%	0.458	47%	0.471	S	S	.	.	H	α-helix	trans	-64.2	-32.9	176.3	-73.8	173	178.1	0	0	113	R163 T164 R173	R163-E167 WeakPolarHBondContact O-CB 3.08Å; R163-E167 VanDerWaalsContact O-CG 3.31Å; R163-E167 WeakPolarHBondContact O-CG 3.42Å; R163-E167 PolarHBondContact O-N 2.98Å; T164-E167 PolarHBondContact O-N 3.04Å; E167-R173 WeakPolarHBondContact O-CG 3.23Å
168	Q	70.9	Confident	70.9	Confident	137 Å²	137	101.2 Å²	101.2	64%	0.64	47%	0.473	S	S	*	.	H	α-helix	trans	-83.2	-17.1	175.9	-69.1	-179.8	28.8	0	0	113.2	T164 W165 F166 R173	T164-Q168 WeakPolarHBondContact O-CB 3.3Å; T164-Q168 VanDerWaalsContact O-CG 3.28Å; T164-Q168 WeakPolarHBondContact O-CG 3.48Å; T164-Q168 PolarHBondContact O-N 3.13Å; W165-Q168 PolarHBondContact O-N 2.88Å; F166-Q168 VanDerWaalsContact C-N 3.32Å; F166-Q168 PolarHBondContact O-N 2.88Å; Q168-R173 PolarHBondContact O-NE 3.28Å; Q168-R173 PolarHBondContact O-NH2 2.75Å
169	S	77.6	Confident	71.4	Confident	17 Å²	17	100.5 Å²	100.5	12%	0.119	47%	0.468	C	S	.	.	S	Bend	trans	-65.1	147.7	177.7	81.4	0	0	0	0	111.4	W165 F166 I171 G172 R173	W165-S169 PolarHBondContact O-N 2.84Å; F166-S169 WeakPolarHBondContact O-CB 3.4Å; F166-S169 PolarHBondContact O-N 2.88Å; F166-S169 PolarHBondContact O-OG 2.91Å; S169-I171 PolarHBondContact O-N 2.85Å; S169-G172 PolarHBondContact O-N 2.84Å; S169-G172 PolarHBondContact OG-N 2.95Å; S169-R173 PolarHBondContact O-N 2.76Å
170	P	71.7	Confident	71.8	Confident	102 Å²	102	105.8 Å²	105.8	66%	0.662	49%	0.486	S	S	*	.	H	α-helix	trans	-60.3	-30.4	176.3	22.5	-32	0	0	0	112.5	K174	P170-K174 WeakPolarHBondContact O-CB 3.27Å; P170-K174 PolarHBondContact O-N 2.91Å; P170-K174 VanDerWaalsContact O-N 3.16Å
171	I	77.1	Confident	72.4	Confident	124 Å²	124	107.3 Å²	107.3	64%	0.636	49%	0.494	S	S	*	.	H	α-helix	trans	-70.9	-42.7	177	-62.1	164.6	0	0	0	110.9	S169 K175	S169-I171 PolarHBondContact O-N 2.85Å; I171-K175 WeakPolarHBondContact O-CB 3.22Å; I171-K175 PolarHBondContact O-N 3.02Å; I171-K175 VanDerWaalsContact O-N 3.1Å
172	G	73.8	Confident	72.7	Confident	2 Å²	2	108.8 Å²	108.8	2%	0.021	50%	0.499	C	S	.	.	H	α-helix	trans	-68.8	-39.6	178.2	0	0	0	0	0	113	F166 S169 K175 Q176	F166-G172 WeakPolarHBondContact O-CA 3.47Å; S169-G172 PolarHBondContact O-N 2.84Å; S169-G172 PolarHBondContact OG-N 2.95Å; G172-K175 PolarHBondContact O-N 3.27Å; G172-Q176 PolarHBondContact O-N 3.05Å
173	R	73.6	Confident	73.1	Confident	149 Å²	149	109.5 Å²	109.5	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-61.1	-47.8	173.8	-79.2	-173	-87.3	-167	-7.2	112	E167 Q168 S169 K175 Q176 E177	E167-R173 WeakPolarHBondContact O-CG 3.23Å; Q168-R173 PolarHBondContact O-NE 3.28Å; Q168-R173 PolarHBondContact O-NH2 2.75Å; S169-R173 PolarHBondContact O-N 2.76Å; R173-K175 VanDerWaalsContact C-N 3.3Å; R173-K175 PolarHBondContact O-N 2.93Å; R173-Q176 PolarHBondContact O-N 2.98Å; R173-E177 WeakPolarHBondContact O-CB 3.36Å; R173-E177 PolarHBondContact O-N 3.33Å
174	K	75.3	Confident	73.6	Confident	134 Å²	134	105.8 Å²	105.8	58%	0.583	49%	0.492	S	S	*	.	H	α-helix	trans	-57.4	-43.2	176	-169.3	178.6	179.1	-178.8	0	111.9	P170 E177 E178	P170-K174 WeakPolarHBondContact O-CB 3.27Å; P170-K174 PolarHBondContact O-N 2.91Å; P170-K174 VanDerWaalsContact O-N 3.16Å; K174-E177 PolarHBondContact O-N 3.49Å; K174-E178 WeakPolarHBondContact CE-OE1 3.49Å; K174-E178 WeakPolarHBondContact O-CB 3.25Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3.22Å
175	K	72.9	Confident	74.2	Confident	113 Å²	113	106.7 Å²	106.7	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-68.9	-34.3	178.8	-161.4	170.7	-173.4	172.2	0	113.3	I171 G172 R173 Q179	I171-K175 WeakPolarHBondContact O-CB 3.22Å; I171-K175 PolarHBondContact O-N 3.02Å; I171-K175 VanDerWaalsContact O-N 3.1Å; G172-K175 PolarHBondContact O-N 3.27Å; R173-K175 VanDerWaalsContact C-N 3.3Å; R173-K175 PolarHBondContact O-N 2.93Å; K175-Q179 WeakPolarHBondContact O-CB 3.32Å; K175-Q179 VanDerWaalsContact O-CG 3.31Å; K175-Q179 WeakPolarHBondContact O-CG 3.46Å; K175-Q179 PolarHBondContact O-N 2.94Å; K175-Q179 VanDerWaalsContact O-N 3.08Å
176	Q	69	Low	74.5	Confident	100 Å²	100	102.6 Å²	102.6	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-68.3	-38.6	172.4	-88.5	-171.6	-8.8	0	0	112	G172 R173 Q179 F180	G172-Q176 PolarHBondContact O-N 3.05Å; R173-Q176 PolarHBondContact O-N 2.98Å; Q176-Q179 PolarHBondContact O-N 3.4Å; Q176-F180 WeakPolarHBondContact O-CB 3.35Å; Q176-F180 PolarHBondContact O-N 2.91Å
177	E	73	Confident	75	Confident	135 Å²	135	105.7 Å²	105.7	63%	0.631	50%	0.504	S	S	*	.	H	α-helix	trans	-68.7	-42.1	179.6	-149.7	156.2	-147.5	0	0	111.1	R173 K174 F180 Q181	R173-E177 WeakPolarHBondContact O-CB 3.36Å; R173-E177 PolarHBondContact O-N 3.33Å; K174-E177 PolarHBondContact O-N 3.49Å; E177-F180 PolarHBondContact O-N 2.81Å; E177-Q181 VanDerWaalsContact O-CG 3.28Å; E177-Q181 WeakPolarHBondContact O-CG 2.99Å; E177-Q181 PolarHBondContact O-N 2.75Å
178	E	78	Confident	75.5	Confident	109 Å²	109	109.8 Å²	109.8	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-59	-46.6	170.3	-74.3	169.3	-174.8	0	0	111.7	K174 F180 Q181 E182	K174-E178 WeakPolarHBondContact CE-OE1 3.49Å; K174-E178 WeakPolarHBondContact O-CB 3.25Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3.22Å; E178-F180 VanDerWaalsContact C-N 3.32Å; E178-F180 PolarHBondContact O-N 3.09Å; E178-Q181 PolarHBondContact O-N 3.02Å; E178-E182 WeakPolarHBondContact O-CB 3.39Å; E178-E182 PolarHBondContact O-N 3.43Å
179	Q	71	Confident	76	Confident	94 Å²	94	106 Å²	106	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-65.6	-32.7	176.5	-78.1	-177.3	1.5	0	0	113.3	K175 Q176 K183	K175-Q179 WeakPolarHBondContact O-CB 3.32Å; K175-Q179 VanDerWaalsContact O-CG 3.31Å; K175-Q179 WeakPolarHBondContact O-CG 3.46Å; K175-Q179 PolarHBondContact O-N 2.94Å; K175-Q179 VanDerWaalsContact O-N 3.08Å; Q176-Q179 PolarHBondContact O-N 3.4Å; Q179-K183 WeakPolarHBondContact O-CB 3.32Å; Q179-K183 VanDerWaalsContact O-CG 3.25Å; Q179-K183 WeakPolarHBondContact O-CG 3.33Å; Q179-K183 PolarHBondContact O-N 3.03Å
180	F	73	Confident	76.1	Confident	130 Å²	130	109.6 Å²	109.6	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-71.6	-42.5	177	-172.6	-102.9	0	0	0	111.1	Q176 E177 E178 K183 L184	Q176-F180 WeakPolarHBondContact O-CB 3.35Å; Q176-F180 PolarHBondContact O-N 2.91Å; E177-F180 PolarHBondContact O-N 2.81Å; E178-F180 VanDerWaalsContact C-N 3.32Å; E178-F180 PolarHBondContact O-N 3.09Å; F180-K183 PolarHBondContact O-N 3.47Å; F180-L184 HydrophobicContact CD1-CD1 3.82Å; F180-L184 HydrophobicContact CD1-CG 4.41Å; F180-L184 HydrophobicContact CE1-CD1 3.51Å; F180-L184 HydrophobicContact CE1-CG 4.18Å; F180-L184 HydrophobicContact CZ-CD1 4.21Å; F180-L184 HydrophobicContact CZ-CG 4.5Å; F180-L184 WeakPolarHBondContact O-CG 3.15Å; F180-L184 PolarHBondContact O-N 3.4Å
181	Q	74.1	Confident	76.4	Confident	115 Å²	115	111.4 Å²	111.4	54%	0.537	52%	0.516	S	S	.	.	H	α-helix	trans	-60.7	-45.9	172.4	-70.7	-72.2	-5.4	0	0	111.2	E177 E178 K183 L184 V185	E177-Q181 VanDerWaalsContact O-CG 3.28Å; E177-Q181 WeakPolarHBondContact O-CG 2.99Å; E177-Q181 PolarHBondContact O-N 2.75Å; E178-Q181 PolarHBondContact O-N 3.02Å; Q181-K183 PolarHBondContact O-N 3.43Å; Q181-L184 PolarHBondContact O-N 2.74Å; Q181-L184 VanDerWaalsContact O-N 3.14Å; Q181-V185 WeakPolarHBondContact O-CG2 3.15Å; Q181-V185 PolarHBondContact O-N 3.35Å
182	E	78.4	Confident	76.7	Confident	131 Å²	131	111.4 Å²	111.4	61%	0.612	51%	0.508	S	S	*	.	H	α-helix	trans	-60.4	-44.5	177.1	-168.5	178.5	-167.9	0	0	111.6	E178 L184 V185 V186	E178-E182 WeakPolarHBondContact O-CB 3.39Å; E178-E182 PolarHBondContact O-N 3.43Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.85Å; E182-V185 PolarHBondContact O-N 3.11Å; E182-V186 VanDerWaalsContact O-CG2 3.28Å; E182-V186 WeakPolarHBondContact O-CG2 3.04Å; E182-V186 PolarHBondContact O-N 3.37Å
183	K	73.4	Confident	77	Confident	143 Å²	143	118.4 Å²	118.4	62%	0.622	53%	0.534	S	S	*	.	H	α-helix	trans	-62	-37.3	174.7	-77.3	173.2	-177.6	173.5	0	112.8	Q179 F180 Q181 K187	Q179-K183 WeakPolarHBondContact O-CB 3.32Å; Q179-K183 VanDerWaalsContact O-CG 3.25Å; Q179-K183 WeakPolarHBondContact O-CG 3.33Å; Q179-K183 PolarHBondContact O-N 3.03Å; F180-K183 PolarHBondContact O-N 3.47Å; Q181-K183 PolarHBondContact O-N 3.43Å; K183-K187 VanDerWaalsContact O-CB 3.28Å; K183-K187 WeakPolarHBondContact O-CB 3.15Å; K183-K187 PolarHBondContact O-N 3.48Å
184	L	77.9	Confident	77.2	Confident	60 Å²	60	119.4 Å²	119.4	31%	0.314	54%	0.538	S	S	.	.	H	α-helix	trans	-68.8	-40.6	176.1	-74.6	175	0	0	0	111.9	F180 Q181 E182 K187 R188	F180-L184 HydrophobicContact CD1-CD1 3.82Å; F180-L184 HydrophobicContact CD1-CG 4.41Å; F180-L184 HydrophobicContact CE1-CD1 3.51Å; F180-L184 HydrophobicContact CE1-CG 4.18Å; F180-L184 HydrophobicContact CZ-CD1 4.21Å; F180-L184 HydrophobicContact CZ-CG 4.5Å; F180-L184 WeakPolarHBondContact O-CG 3.15Å; F180-L184 PolarHBondContact O-N 3.4Å; Q181-L184 PolarHBondContact O-N 2.74Å; Q181-L184 VanDerWaalsContact O-N 3.14Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.85Å; L184-K187 PolarHBondContact O-N 3.28Å; L184-R188 WeakPolarHBondContact O-CG 3.32Å; L184-R188 PolarHBondContact O-N 3.49Å
185	V	83.8	Confident	77.3	Confident	89 Å²	89	118.3 Å²	118.3	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-62.8	-48.5	175	172.5	0	0	0	0	110.3	Q181 E182 K187 R188 E189	Q181-V185 WeakPolarHBondContact O-CG2 3.15Å; Q181-V185 PolarHBondContact O-N 3.35Å; E182-V185 PolarHBondContact O-N 3.11Å; V185-K187 VanDerWaalsContact C-N 3.31Å; V185-K187 PolarHBondContact O-N 3.3Å; V185-R188 PolarHBondContact O-N 2.69Å; V185-R188 VanDerWaalsContact O-N 3.17Å; V185-E189 WeakPolarHBondContact O-CB 3.48Å; V185-E189 PolarHBondContact O-N 3.4Å
186	V	81.8	Confident	77.9	Confident	83 Å²	83	117.6 Å²	117.6	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-59.7	-41.5	176.4	172.5	0	0	0	0	111.2	E182 R188 E189 V190	E182-V186 VanDerWaalsContact O-CG2 3.28Å; E182-V186 WeakPolarHBondContact O-CG2 3.04Å; E182-V186 PolarHBondContact O-N 3.37Å; V186-R188 PolarHBondContact O-N 3.21Å; V186-E189 PolarHBondContact O-N 2.85Å; V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 VanDerWaalsContact O-CG2 3.28Å; V186-V190 WeakPolarHBondContact O-CG2 3.41Å; V186-V190 PolarHBondContact O-N 3.41Å
187	K	79.4	Confident	78.4	Confident	154 Å²	154	117.8 Å²	117.8	67%	0.67	54%	0.537	S	S	*	.	H	α-helix	trans	-65.9	-37.3	177.9	-169.6	176.9	-178.6	-179.4	0	112.6	K183 L184 V185 K191	K183-K187 VanDerWaalsContact O-CB 3.28Å; K183-K187 WeakPolarHBondContact O-CB 3.15Å; K183-K187 PolarHBondContact O-N 3.48Å; L184-K187 PolarHBondContact O-N 3.28Å; V185-K187 VanDerWaalsContact C-N 3.31Å; V185-K187 PolarHBondContact O-N 3.3Å; K187-K191 PolarHBondContact O-N 3.38Å
188	R	79.8	Confident	78.6	Confident	185 Å²	185	116.3 Å²	116.3	70%	0.698	53%	0.53	S	S	*	.	H	α-helix	trans	-67.7	-42.5	174.1	-74.6	176.7	-179.5	173.5	1.1	111.2	L184 V185 V186 K191 R192	L184-R188 WeakPolarHBondContact O-CG 3.32Å; L184-R188 PolarHBondContact O-N 3.49Å; V185-R188 PolarHBondContact O-N 2.69Å; V185-R188 VanDerWaalsContact O-N 3.17Å; V186-R188 PolarHBondContact O-N 3.21Å; R188-K191 PolarHBondContact O-N 3.3Å; R188-R192 PolarHBondContact O-N 3.33Å
189	E	80.8	Confident	78.8	Confident	57 Å²	57	119.9 Å²	119.9	27%	0.266	54%	0.54	S	S	.	.	H	α-helix	trans	-62.6	-44.7	178.3	-175.9	60.4	-160.1	0	0	112.1	V185 V186 K191 R192 R193	V185-E189 WeakPolarHBondContact O-CB 3.48Å; V185-E189 PolarHBondContact O-N 3.4Å; V186-E189 PolarHBondContact O-N 2.85Å; E189-K191 VanDerWaalsContact C-N 3.32Å; E189-K191 PolarHBondContact O-N 3.34Å; E189-R192 PolarHBondContact O-N 2.86Å; E189-R192 IonicContact OE1-CZ 2.57Å; E189-R192 IonicContact OE1-NE 3.48Å; E189-R192 IonicContact OE1-NH2 3.35Å; E189-R192 PolarHBondContact OE1-NH2 2.85Å; E189-R192 IonicContact OE2-CZ 2.84Å; E189-R192 VanDerWaalsContact OE2-CZ 3.3Å; E189-R192 IonicContact OE2-NE 2.79Å; E189-R192 PolarHBondContact OE2-NE 3.44Å; E189-R192 IonicContact OE2-NH2 3.98Å; E189-R192 PolarHBondContact OE2-NH2 3.12Å; E189-R193 WeakPolarHBondContact O-CG 3.31Å; E189-R193 PolarHBondContact O-N 2.87Å; E189-R193 IonicContact OE1-CZ 2.78Å; E189-R193 IonicContact OE1-NE 2.75Å; E189-R193 PolarHBondContact OE1-NE 3Å; E189-R193 VanDerWaalsContact OE1-NE 3.15Å; E189-R193 IonicContact OE1-NH2 3.76Å
190	V	80.2	Confident	79.2	Confident	93 Å²	93	121.3 Å²	121.3	56%	0.564	55%	0.547	S	S	*	.	H	α-helix	trans	-62.6	-39.6	175.7	171	0	0	0	0	111.4	V186 R194	V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 VanDerWaalsContact O-CG2 3.28Å; V186-V190 WeakPolarHBondContact O-CG2 3.41Å; V186-V190 PolarHBondContact O-N 3.41Å; V190-R194 WeakPolarHBondContact O-CB 3.33Å; V190-R194 PolarHBondContact O-N 3.04Å; V190-R194 VanDerWaalsContact O-N 3.08Å
191	K	78.5	Confident	79.4	Confident	139 Å²	139	119 Å²	119	60%	0.604	54%	0.543	S	S	*	.	H	α-helix	trans	-65.4	-40.7	177	-168.9	-178.8	179.2	-173.3	0	111.5	K187 R188 E189 R194 Q195	K187-K191 PolarHBondContact O-N 3.38Å; R188-K191 PolarHBondContact O-N 3.3Å; E189-K191 VanDerWaalsContact C-N 3.32Å; E189-K191 PolarHBondContact O-N 3.34Å; K191-R194 PolarHBondContact O-N 2.86Å; K191-Q195 WeakPolarHBondContact O-CG 3.41Å; K191-Q195 PolarHBondContact O-N 3.49Å; K191-Q195 VanDerWaalsContact O-N 3.16Å
192	R	83.9	Confident	79.5	Confident	124 Å²	124	119.6 Å²	119.6	47%	0.468	54%	0.544	S	S	.	.	H	α-helix	trans	-63	-50.2	176.5	-173.8	-177.6	65.5	163.7	2.2	111.5	R188 E189 R194 Q195 E196	R188-R192 PolarHBondContact O-N 3.33Å; E189-R192 PolarHBondContact O-N 2.86Å; E189-R192 IonicContact OE1-CZ 2.57Å; E189-R192 IonicContact OE1-NE 3.48Å; E189-R192 IonicContact OE1-NH2 3.35Å; E189-R192 PolarHBondContact OE1-NH2 2.85Å; E189-R192 IonicContact OE2-CZ 2.84Å; E189-R192 VanDerWaalsContact OE2-CZ 3.3Å; E189-R192 IonicContact OE2-NE 2.79Å; E189-R192 PolarHBondContact OE2-NE 3.44Å; E189-R192 IonicContact OE2-NH2 3.98Å; E189-R192 PolarHBondContact OE2-NH2 3.12Å; R192-R194 PolarHBondContact O-N 2.86Å; R192-Q195 PolarHBondContact O-N 2.63Å; R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact NE-OE1 3.78Å; R192-E196 PolarHBondContact O-N 3.39Å
193	R	79.8	Confident	79.6	Confident	150 Å²	150	115.4 Å²	115.4	57%	0.566	53%	0.532	S	S	*	.	H	α-helix	trans	-59.1	-36.4	178.2	-71.2	-178.3	-176	-159.4	-3	112.8	E189 L197	E189-R193 WeakPolarHBondContact O-CG 3.31Å; E189-R193 PolarHBondContact O-N 2.87Å; E189-R193 IonicContact OE1-CZ 2.78Å; E189-R193 IonicContact OE1-NE 2.75Å; E189-R193 PolarHBondContact OE1-NE 3Å; E189-R193 VanDerWaalsContact OE1-NE 3.15Å; E189-R193 IonicContact OE1-NH2 3.76Å; R193-L197 WeakPolarHBondContact O-CB 3.48Å; R193-L197 PolarHBondContact O-N 2.97Å
194	R	76.6	Confident	79.6	Confident	169 Å²	169	114.9 Å²	114.9	64%	0.638	53%	0.531	S	S	*	.	H	α-helix	trans	-64.9	-42	174.8	-176.2	178.3	171	175.6	4.2	112.1	V190 K191 R192 L197 E198	V190-R194 WeakPolarHBondContact O-CB 3.33Å; V190-R194 PolarHBondContact O-N 3.04Å; V190-R194 VanDerWaalsContact O-N 3.08Å; K191-R194 PolarHBondContact O-N 2.86Å; R192-R194 PolarHBondContact O-N 2.86Å; R194-L197 PolarHBondContact O-N 3.42Å; R194-E198 IonicContact CZ-OE1 3.42Å; R194-E198 IonicContact NE-OE1 3.39Å; R194-E198 PolarHBondContact NE-OE1 2.94Å; R194-E198 IonicContact NH2-OE1 2.74Å; R194-E198 WeakPolarHBondContact O-CG 3.49Å; R194-E198 PolarHBondContact O-N 3.33Å
195	Q	77.6	Confident	79.2	Confident	112 Å²	112	118.2 Å²	118.2	52%	0.523	55%	0.549	S	S	.	.	H	α-helix	trans	-67.9	-37.5	177.4	-72.9	179.1	-36.6	0	0	112.3	K191 R192 E198 Y199	K191-Q195 WeakPolarHBondContact O-CG 3.41Å; K191-Q195 PolarHBondContact O-N 3.49Å; K191-Q195 VanDerWaalsContact O-N 3.16Å; R192-Q195 PolarHBondContact O-N 2.63Å; Q195-E198 PolarHBondContact O-N 3.32Å; Q195-Y199 PolarHBondContact O-N 2.98Å
196	E	85.1	Confident	78.6	Confident	97 Å²	97	121 Å²	121	45%	0.453	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-42.8	174.9	-72.2	166.4	179.2	0	0	111.7	R192 Y199 Q200	R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact NE-OE1 3.78Å; R192-E196 PolarHBondContact O-N 3.39Å; E196-Y199 PolarHBondContact O-N 3.38Å; E196-Q200 PolarHBondContact O-N 2.94Å
197	L	79.6	Confident	78	Confident	104 Å²	104	121.2 Å²	121.2	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-62.6	-43.9	173.3	-93.1	153.2	0	0	0	112.2	R193 R194 Y199 Q200 V201	R193-L197 WeakPolarHBondContact O-CB 3.48Å; R193-L197 PolarHBondContact O-N 2.97Å; R194-L197 PolarHBondContact O-N 3.42Å; L197-Y199 VanDerWaalsContact C-N 3.29Å; L197-Y199 PolarHBondContact O-N 2.95Å; L197-Q200 PolarHBondContact O-N 3.3Å; L197-V201 WeakPolarHBondContact O-CB 3.38Å; L197-V201 VanDerWaalsContact O-CG2 3.28Å; L197-V201 WeakPolarHBondContact O-CG2 3.17Å; L197-V201 PolarHBondContact O-N 2.67Å
198	E	77.4	Confident	76.7	Confident	105 Å²	105	119.8 Å²	119.8	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-62.6	-36.5	176.8	-75.8	170.1	-173.2	0	0	111.5	R194 Q195 K202	R194-E198 IonicContact CZ-OE1 3.42Å; R194-E198 IonicContact NE-OE1 3.39Å; R194-E198 PolarHBondContact NE-OE1 2.94Å; R194-E198 IonicContact NH2-OE1 2.74Å; R194-E198 WeakPolarHBondContact O-CG 3.49Å; R194-E198 PolarHBondContact O-N 3.33Å; Q195-E198 PolarHBondContact O-N 3.32Å; E198-K202 WeakPolarHBondContact O-CB 3.49Å; E198-K202 PolarHBondContact O-N 3.5Å; E198-K202 VanDerWaalsContact O-N 3.13Å
199	Y	81.9	Confident	75.3	Confident	184 Å²	184	116.1 Å²	116.1	72%	0.722	56%	0.559	S	S	*	*	H	α-helix	trans	-69.9	-42.1	174.7	-170.9	-93.4	0	0	0	112.6	Q195 E196 L197 K202 A203	Q195-Y199 PolarHBondContact O-N 2.98Å; E196-Y199 PolarHBondContact O-N 3.38Å; L197-Y199 VanDerWaalsContact C-N 3.29Å; L197-Y199 PolarHBondContact O-N 2.95Å; Y199-K202 PolarHBondContact O-N 3.38Å; Y199-A203 WeakPolarHBondContact O-CB 3.35Å; Y199-A203 PolarHBondContact O-N 3.23Å
200	Q	80.1	Confident	73.6	Confident	124 Å²	124	119.6 Å²	119.6	58%	0.579	59%	0.586	S	S	*	*	H	α-helix	trans	-63.4	-46	176.4	-80.7	179.6	-5.1	0	0	112.1	E196 L197 K202 A203 E204	E196-Q200 PolarHBondContact O-N 2.94Å; L197-Q200 PolarHBondContact O-N 3.3Å; Q200-K202 VanDerWaalsContact C-N 3.26Å; Q200-K202 PolarHBondContact O-N 2.84Å; Q200-A203 PolarHBondContact O-N 3.1Å; Q200-E204 PolarHBondContact O-N 2.75Å
201	V	76.5	Confident	71.7	Confident	80 Å²	80	125.9 Å²	125.9	49%	0.485	60%	0.6	S	S	.	*	H	α-helix	trans	-61.1	-38.6	176.9	170.7	0	0	0	0	110.8	L197 L205	L197-V201 WeakPolarHBondContact O-CB 3.38Å; L197-V201 VanDerWaalsContact O-CG2 3.28Å; L197-V201 WeakPolarHBondContact O-CG2 3.17Å; L197-V201 PolarHBondContact O-N 2.67Å; V201-L205 WeakPolarHBondContact O-CB 3.41Å; V201-L205 PolarHBondContact O-N 3.17Å
202	K	78	Confident	69.8	Low	128 Å²	128	129.4 Å²	129.4	56%	0.557	62%	0.615	S	S	*	*	H	α-helix	trans	-68	-42.3	177.3	-167.5	179	179.4	-171.3	0	112.2	E198 Y199 Q200 L205 E206	E198-K202 WeakPolarHBondContact O-CB 3.49Å; E198-K202 PolarHBondContact O-N 3.5Å; E198-K202 VanDerWaalsContact O-N 3.13Å; Y199-K202 PolarHBondContact O-N 3.38Å; Q200-K202 VanDerWaalsContact C-N 3.26Å; Q200-K202 PolarHBondContact O-N 2.84Å; K202-L205 WeakPolarHBondContact O-CB 3.45Å; K202-L205 PolarHBondContact O-N 3.41Å; K202-E206 WeakPolarHBondContact CE-OE1 3.44Å; K202-E206 WeakPolarHBondContact O-CG 3.35Å; K202-E206 PolarHBondContact O-N 2.83Å
203	A	79.2	Confident	67.8	Low	44 Å²	44	128.3 Å²	128.3	36%	0.364	63%	0.627	S	S	.	*	H	α-helix	trans	-65.4	-38.5	175.8	0	0	0	0	0	112.1	Y199 Q200 E206 S207	Y199-A203 WeakPolarHBondContact O-CB 3.35Å; Y199-A203 PolarHBondContact O-N 3.23Å; Q200-A203 PolarHBondContact O-N 3.1Å; A203-E206 PolarHBondContact O-N 3.47Å; A203-S207 WeakPolarHBondContact O-CB 3.06Å; A203-S207 PolarHBondContact O-N 2.69Å; A203-S207 PolarHBondContact O-OG 2.77Å
204	E	73.9	Confident	65.8	Low	131 Å²	131	129.1 Å²	129.1	61%	0.612	64%	0.641	S	S	*	*	H	α-helix	trans	-62	-45.4	172.4	-78.8	-174.8	171.9	0	0	110.8	Q200 E206 S207 M208	Q200-E204 PolarHBondContact O-N 2.75Å; E204-E206 VanDerWaalsContact C-N 3.29Å; E204-E206 PolarHBondContact O-N 2.74Å; E204-S207 WeakPolarHBondContact CA-OG 3.47Å; E204-S207 PolarHBondContact O-N 2.7Å; E204-S207 VanDerWaalsContact O-N 3.09Å; E204-S207 PolarHBondContact O-OG 2.78Å; E204-M208 WeakPolarHBondContact O-CG 3.19Å; E204-M208 PolarHBondContact O-N 3.46Å
205	L	69.3	Low	63.9	Low	131 Å²	131	132.7 Å²	132.7	69%	0.686	66%	0.655	S	S	*	*	H	α-helix	trans	-59.5	-38.2	177	-135.5	87.9	0	0	0	112.7	V201 K202	V201-L205 WeakPolarHBondContact O-CB 3.41Å; V201-L205 PolarHBondContact O-N 3.17Å; K202-L205 WeakPolarHBondContact O-CB 3.45Å; K202-L205 PolarHBondContact O-N 3.41Å
206	E	71.4	Confident	62	Low	146 Å²	146	135.4 Å²	135.4	68%	0.682	67%	0.672	S	S	*	*	H	α-helix	trans	-76.2	-22	178.2	-72.2	173.4	-172.7	0	0	112.7	K202 A203 E204	K202-E206 WeakPolarHBondContact CE-OE1 3.44Å; K202-E206 WeakPolarHBondContact O-CG 3.35Å; K202-E206 PolarHBondContact O-N 2.83Å; A203-E206 PolarHBondContact O-N 3.47Å; E204-E206 VanDerWaalsContact C-N 3.29Å; E204-E206 PolarHBondContact O-N 2.74Å
207	S	69.4	Low	59.7	Low	89 Å²	89	139.7 Å²	139.7	62%	0.622	69%	0.692	S	S	*	*	H	α-helix	trans	-89	-9.1	179.8	74.7	0	0	0	0	114.9	A203 E204	A203-S207 WeakPolarHBondContact O-CB 3.06Å; A203-S207 PolarHBondContact O-N 2.69Å; A203-S207 PolarHBondContact O-OG 2.77Å; E204-S207 WeakPolarHBondContact CA-OG 3.47Å; E204-S207 PolarHBondContact O-N 2.7Å; E204-S207 VanDerWaalsContact O-N 3.09Å; E204-S207 PolarHBondContact O-OG 2.78Å
208	M	52.2	Low	57.4	Low	124 Å²	124	138 Å²	138	61%	0.611	70%	0.7	S	S	*	*	S	Bend	trans	-79.2	129.8	-178.1	-70.7	-175	82.2	0	0	112.1	E204	E204-M208 WeakPolarHBondContact O-CG 3.19Å; E204-M208 PolarHBondContact O-N 3.46Å
209	P	51	Low	55.3	Low	108 Å²	108	141.7 Å²	141.7	70%	0.701	72%	0.722	S	S	*	*			trans	-69.6	147.8	177.3	26.5	-32.1	0	0	0	111.9	R211	P209-R211 PolarHBondContact O-N 2.7Å; P209-R211 VanDerWaalsContact O-N 3.16Å
210	P	43.4	Very low	52.8	Low	129 Å²	129	138 Å²	138	84%	0.838	73%	0.729	S	S	*	*			trans	-69.2	114.4	-171.5	26.5	-32.8	0	0	0	111.4	K212	P210-K212 PolarHBondContact O-N 2.99Å
211	R	41.8	Very low	50.5	Low	225 Å²	225	141 Å²	141	85%	0.849	74%	0.743	S	S	*	*			trans	-73.7	124.4	171.4	-77.2	-175.6	176.1	174.6	-0.4	110.3	P209 S213	P209-R211 PolarHBondContact O-N 2.7Å; P209-R211 VanDerWaalsContact O-N 3.16Å; R211-S213 PolarHBondContact O-N 2.8Å
212	K	37.7	Very low	48.4	Very low	213 Å²	213	141.9 Å²	141.9	93%	0.926	75%	0.752	S	S	*	*	S	Bend	trans	-67	89.2	175.7	-71.1	177.2	177.5	175.8	0	111.3	P210	P210-K212 PolarHBondContact O-N 2.99Å
213	S	42.2	Very low	45.9	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	77%	0.766	S	S	*	*			trans	-167.9	72.1	153.9	58	0	0	0	0	110.5	R211	R211-S213 PolarHBondContact O-N 2.8Å
214	L	36.9	Very low	43.4	Very low	166 Å²	166	147.3 Å²	147.3	87%	0.869	79%	0.785	S	S	*	*			trans	-146.1	69.5	165.5	-112.6	127.2	0	0	0	108.7
215	R	37.3	Very low	41.3	Very low	245 Å²	245	148.3 Å²	148.3	93%	0.925	79%	0.793	S	S	*	*			trans	-111.5	100.3	158.1	-119.8	-177.1	-173.3	168.1	1.9	105.5
216	L	38.2	Very low	39.1	Very low	169 Å²	169	150.7 Å²	150.7	89%	0.885	80%	0.801	S	S	*	*			trans	145.9	76.5	157.5	-78.7	165	0	0	0	109.2
217	Q	36.4	Very low	37	Very low	187 Å²	187	151.1 Å²	151.1	87%	0.874	81%	0.806	S	S	*	*			trans	-168.8	84.2	146.3	-106.3	170	10.8	0	0	107.9
218	G	31.4	Very low	34.9	Very low	68 Å²	68	152.9 Å²	152.9	70%	0.701	81%	0.813	S	S	*	*			trans	-86.7	142.7	154.6	0	0	0	0	0	108.2
219	L	33.6	Very low	34	Very low	183 Å²	183	152.1 Å²	152.1	96%	0.958	82%	0.817	S	S	*	*			trans	88.3	83.2	174.9	-63.8	127.3	0	0	0	117.2
220	A	29	Very low	32.9	Very low	105 Å²	105	153.2 Å²	153.2	87%	0.868	82%	0.822	S	S	*	*				-156.8	97.7	127.3	0	0	0	0	0	109
221	Q	32.5	Very low	32	Very low	189 Å²	189	156.1 Å²	156.1	88%	0.883	82%	0.824	S	S	*	*			trans	-75.1	122.9	170.9	-82.4	172	-24.8	0	0	110
222	S	30.8	Very low	31.2	Very low	97 Å²	97	151.7 Å²	151.7	68%	0.678	82%	0.822	S	S	*	*			trans	1.8	132.2	145.8	53.8	0	0	0	0	119.2
223	T	25.9	Very low	31	Very low	136 Å²	136	147.1 Å²	147.1	83%	0.834	81%	0.813	S	S	*	*			trans	-136	110	142.8	-25.8	0	0	0	0	109.1
224	I	28.3	Very low	30	Very low	150 Å²	150	146.3 Å²	146.3	77%	0.769	81%	0.813	S	S	*	*			trans	-84.4	135.8	171.1	-67.9	166.8	0	0	0	106.9
225	I	28.3	Very low	29.4	Very low	152 Å²	152	147.5 Å²	147.5	78%	0.779	81%	0.814	S	S	*	*			trans	-126.6	110.6	165.9	-62.5	178.4	0	0	0	107.6
226	E	23.8	Very low	28.7	Very low	182 Å²	182	143.7 Å²	143.7	85%	0.85	81%	0.809	S	S	*	*			trans	-87.1	154.1	160.5	-91.7	-175.3	154.7	0	0	110.4
227	I	28.1	Very low	28.3	Very low	154 Å²	154	141.1 Å²	141.1	79%	0.79	80%	0.802	S	S	*	*			trans	-99.5	163.3	-168.2	-57.9	166.9	0	0	0	110
228	V	24.9	Very low	27.7	Very low	127 Å²	127	135.8 Å²	135.8	77%	0.77	79%	0.79	S	S	*	*			trans	120.1	141.9	146.2	-177.8	0	0	0	0	113.2
229	P	33.4	Very low	27.4	Very low	107 Å²	107	137.5 Å²	137.5	70%	0.695	79%	0.791	S	S	*	*			cis	-137.3	167.1	-41	37.8	-17.7	0	0	0	115.7
230	V	26.4	Very low	27	Very low	132 Å²	132	135 Å²	135	80%	0.8	78%	0.784	S	S	*	*			trans	27.8	120.4	144.4	-166	0	0	0	0	121.2
231	Q	25.6	Very low	26.9	Very low	190 Å²	190	133.9 Å²	133.9	89%	0.888	78%	0.775	S	S	*	*				179.2	145.4	116.9	-92.5	176.5	5.5	0	0	112.4
232	V	25	Very low	26.6	Very low	132 Å²	132	134.1 Å²	134.1	80%	0.8	77%	0.773	S	S	*	*			trans	-85.2	169.6	180	169.4	0	0	0	0	109.7
233	P	32.1	Very low	26.3	Very low	116 Å²	116	135.5 Å²	135.5	75%	0.753	77%	0.773	S	S	*	*			cis	-134.9	-176.7	0.2	22.8	3.9	0	0	0	116.7
234	A	22.3	Very low	26.3	Very low	85 Å²	85	137.5 Å²	137.5	70%	0.702	77%	0.77	S	S	*	*			trans	109.4	119.2	134.5	0	0	0	0	0	120.6
235	Q	24.4	Very low	26.1	Very low	192 Å²	192	135.8 Å²	135.8	90%	0.897	77%	0.766	S	S	*	*			trans	56.2	129.9	134.4	-65.5	-177.5	-19.1	0	0	122.1
236	M	23.1	Very low	25.8	Very low	164 Å²	164	136.1 Å²	136.1	81%	0.808	77%	0.769	S	S	*	*			trans	-56.9	154.6	163.8	-64.6	-96.5	61.6	0	0	112.1
237	P	29.6	Very low	25.9	Very low	116 Å²	116	132.2 Å²	132.2	75%	0.753	76%	0.761	S	S	*	*				-131.7	142.4	80.3	8.3	16	0	0	0	112.3
238	A	22.8	Very low	25.7	Very low	74 Å²	74	130.6 Å²	130.6	61%	0.612	76%	0.759	S	S	*	*				77.9	118.3	81.9	0	0	0	0	0	115.3
239	S	25.8	Very low	25.6	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	76%	0.755	S	S	*	*			trans	61.4	123.2	145.7	66.6	0	0	0	0	119.5
240	T	24.3	Very low	25.3	Very low	130 Å²	130	133.7 Å²	133.7	80%	0.798	77%	0.766	S	S	*	*				176	109.5	96.9	32	0	0	0	0	106.5
241	A	26.6	Very low	25.2	Very low	83 Å²	83	134.9 Å²	134.9	69%	0.686	77%	0.768	S	S	*	*				80.6	135.4	83.5	0	0	0	0	0	112.8
242	K	26.4	Very low	25.2	Very low	194 Å²	194	135.3 Å²	135.3	84%	0.843	77%	0.77	S	S	*	*			trans	87.1	139.5	162	-61.1	179.1	-178.9	178.1	0	116.5
243	D	25	Very low	25.3	Very low	125 Å²	125	139.8 Å²	139.8	67%	0.668	77%	0.773	S	S	*	*			cis	178.7	149.4	-24.5	-127.2	-20.3	0	0	0	103.9
244	K	25.9	Very low	24.9	Very low	179 Å²	179	139.8 Å²	139.8	78%	0.778	78%	0.776	S	S	*	*			trans	69.4	147.6	149.2	-68.6	-178.9	175.7	-179.9	0	116.8
245	V	23.7	Very low	25.2	Very low	114 Å²	114	143.4 Å²	143.4	69%	0.691	78%	0.778	S	S	*	*			cis	-172.1	122.7	4.3	126	0	0	0	0	102.7
246	L	23.7	Very low	25.3	Very low	159 Å²	159	144.3 Å²	144.3	83%	0.832	78%	0.779	S	S	*	*				58.3	116.7	96.6	-176	80.6	0	0	0	115
247	S	24.4	Very low	25.6	Very low	100 Å²	100	144 Å²	144	70%	0.699	78%	0.779	S	S	*	*			trans	148.3	134.5	141.5	59.7	0	0	0	0	108
248	T	24	Very low	25.4	Very low	120 Å²	120	146 Å²	146	74%	0.736	78%	0.783	S	S	*	*			cis	-174.8	124.2	21.1	12.9	0	0	0	0	105.5
249	S	23.6	Very low	25.6	Very low	97 Å²	97	150 Å²	150	68%	0.678	79%	0.794	S	S	*	*				53.9	115.8	114.3	69.2	0	0	0	0	116.3
250	E	26.6	Very low	25.7	Very low	202 Å²	202	149.3 Å²	149.3	94%	0.944	79%	0.79	S	S	*	*				-144.8	126.5	112.2	-72.2	-156.7	140	0	0	109
251	D	24.3	Very low	26.2	Very low	157 Å²	157	147.8 Å²	147.8	84%	0.84	78%	0.784	S	S	*	*			trans	-77.4	130.4	174.7	-86.4	-52.1	0	0	0	109.9
252	E	26	Very low	26.6	Very low	198 Å²	198	149.4 Å²	149.4	93%	0.925	79%	0.785	S	S	*	*			trans	-135.4	136.7	136.5	-86.3	-147.1	148.3	0	0	111.1
253	R	26	Very low	27	Very low	227 Å²	227	148.5 Å²	148.5	86%	0.857	78%	0.781	S	S	*	*			trans	-90.6	113.8	-158.6	174.8	-176.6	179.4	-174.4	0.5	110.4
254	S	25.3	Very low	27.6	Very low	116 Å²	116	154 Å²	154	81%	0.811	79%	0.793	S	S	*	*			trans	-118.5	115.7	161.2	54.5	0	0	0	0	110.5
255	Q	28.2	Very low	28.3	Very low	161 Å²	161	153.3 Å²	153.3	75%	0.752	79%	0.79	S	S	*	*			trans	-56.1	131	-176.8	-72.1	164.9	-38.2	0	0	112.6	I257	Q255-I257 PolarHBondContact O-N 3.2Å
256	K	25.5	Very low	29.2	Very low	210 Å²	210	152.2 Å²	152.2	91%	0.913	79%	0.785	S	S	*	*			trans	-67.4	122	161.5	-80.6	177.2	174.7	174.9	0	109.5
257	I	29.3	Very low	30.9	Very low	158 Å²	158	151.7 Å²	151.7	81%	0.81	78%	0.781	S	S	*	*			trans	-121.8	130.6	154.3	-64.7	178.9	0	0	0	107.3	Q255	Q255-I257 PolarHBondContact O-N 3.2Å
258	N	25.5	Very low	33.2	Very low	157 Å²	157	148.2 Å²	148.2	84%	0.84	76%	0.756	S	S	*	*			trans	-34.2	121	-171.1	-75.1	-30.5	0	0	0	116.9	S260	N258-S260 PolarHBondContact O-N 2.9Å
259	D	27	Very low	36	Very low	159 Å²	159	145.5 Å²	145.5	85%	0.85	74%	0.74	S	S	*	*			trans	-72	88.8	163.5	-165.3	7.8	0	0	0	109.3	S261	D259-S261 PolarHBondContact O-N 3.13Å
260	S	29.1	Very low	39.1	Very low	90 Å²	90	142.5 Å²	142.5	63%	0.629	72%	0.718	S	S	*	*			trans	-78.3	109.9	159.7	69	0	0	0	0	107.1	N258 V262	N258-S260 PolarHBondContact O-N 2.9Å; S260-V262 VanDerWaalsContact C-N 3.28Å; S260-V262 PolarHBondContact O-N 3.18Å
261	S	34.3	Very low	41.8	Very low	98 Å²	98	132.9 Å²	132.9	69%	0.685	67%	0.673	S	S	*	*			trans	-59.7	87.7	177.2	61.6	0	0	0	0	110.5	D259 K263	D259-S261 PolarHBondContact O-N 3.13Å; S261-K263 PolarHBondContact O-N 2.81Å
262	V	35	Very low	45	Very low	117 Å²	117	127 Å²	127	71%	0.709	64%	0.642	S	S	*	*			trans	-68.8	99.6	168.4	178.5	0	0	0	0	106.3	S260 R264	S260-V262 VanDerWaalsContact C-N 3.28Å; S260-V262 PolarHBondContact O-N 3.18Å; V262-R264 VanDerWaalsContact C-N 3.33Å; V262-R264 PolarHBondContact O-N 2.74Å
263	K	34.2	Very low	48.1	Very low	174 Å²	174	117.5 Å²	117.5	76%	0.757	60%	0.598	S	S	*	*			trans	-55.2	96.2	170.2	-66.2	179.9	-179.7	177.6	0	108.2	S261 K265	S261-K263 PolarHBondContact O-N 2.81Å; K263-K265 PolarHBondContact O-N 2.92Å
264	R	37.8	Very low	51.2	Low	240 Å²	240	106.7 Å²	106.7	91%	0.906	56%	0.557	S	S	*	*			trans	-58	112.4	175	-72.3	-177.1	178.4	173	-0.2	107.9	V262	V262-R264 VanDerWaalsContact C-N 3.33Å; V262-R264 PolarHBondContact O-N 2.74Å
265	K	41.8	Very low	54.5	Low	165 Å²	165	101.2 Å²	101.2	72%	0.717	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-62.6	139.9	171.8	-69.3	175.1	180	173.8	0	107.5	K263 I267	K263-K265 PolarHBondContact O-N 2.92Å; K265-I267 PolarHBondContact O-N 3.02Å
266	P	42.7	Very low	57.2	Low	91 Å²	91	97 Å²	97	59%	0.591	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-66	119.8	171.6	2	11.6	0	0	0	107.3	M366	P266-M366 HydrophobicContact CB-CE 3.68Å; P266-M366 HydrophobicContact CB-SD 4.24Å; P266-M366 HydrophobicContact CG-CE 3.68Å; P266-M366 HydrophobicContact CG-SD 4.16Å; P266-M366 WeakPolarHBondContact O-CE 3.4Å
267	I	58	Low	60.1	Low	148 Å²	148	88.4 Å²	88.4	76%	0.759	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-94	119.3	177	-62.8	166.9	0	0	0	105.7	K265	K265-I267 PolarHBondContact O-N 3.02Å
268	V	73.1	Confident	62.6	Low	27 Å²	27	81.3 Å²	81.3	16%	0.164	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-79.5	140.8	169.9	-176.2	0	0	0	0	106.8	P270 V272 M366 G395 A398	V268-P270 WeakPolarHBondContact O-CD 3.36Å; V268-V272 WeakPolarHBondContact CG1-O 3.19Å; V268-M366 HydrophobicContact CG2-CE 4.18Å; V268-G395 PolarHBondContact N-O 3.12Å; V268-G395 CarbonylContact O-C 3.48Å; V268-G395 WeakPolarHBondContact O-CA 3.31Å; V268-A398 HydrophobicContact CG2-CB 4.18Å
269	T	83.1	Confident	65.1	Low	64 Å²	64	75.9 Å²	75.9	39%	0.393	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-58.9	125.6	174.6	-51.9	0	0	0	0	109.5	G271 V272 F648	T269-G271 PolarHBondContact O-N 2.76Å; T269-V272 HydrophobicContact CG2-CG2 4.13Å; T269-V272 WeakPolarHBondContact O-CB 3.41Å; T269-V272 PolarHBondContact O-N 3.17Å; T269-F648 HydrophobicContact CG2-CE1 4.32Å; T269-F648 HydrophobicContact CG2-CZ 3.98Å
270	P	87.4	Confident	68	Low	34 Å²	34	71 Å²	71	22%	0.221	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	139.6	175.6	-29.9	36.9	0	0	0	112.6	V268 V272 W393 N643 E645	V268-P270 WeakPolarHBondContact O-CD 3.36Å; P270-V272 PolarHBondContact O-N 3.1Å; P270-W393 HydrophobicContact CB-CE3 3.77Å; P270-W393 HydrophobicContact CB-CZ3 4.34Å; P270-N643 PolarHBondContact O-ND2 3.29Å; P270-E645 WeakPolarHBondContact CB-OE2 3.46Å
271	G	84.9	Confident	71	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	-14.9	-176.9	0	0	0	0	0	114.2	T269 T273 H293 M392	T269-G271 PolarHBondContact O-N 2.76Å; G271-T273 VanDerWaalsContact C-N 3.27Å; G271-T273 PolarHBondContact O-N 3.22Å; G271-T273 VanDerWaalsContact O-N 3.12Å; G271-H293 PolarHBondContact O-CE1 3.4Å; G271-H293 PolarHBondContact O-NE2 3.46Å; G271-M392 PolarHBondContact N-O 3.39Å
272	V	91.4	Very high	73.9	Confident	32 Å²	32	62.5 Å²	62.5	19%	0.194	32%	0.319	C	S	.	.			trans	-90.5	61.1	175.9	-166.6	0	0	0	0	110.4	V268 T269 P270 F648 V650 L657	V268-V272 WeakPolarHBondContact CG1-O 3.19Å; T269-V272 HydrophobicContact CG2-CG2 4.13Å; T269-V272 WeakPolarHBondContact O-CB 3.41Å; T269-V272 PolarHBondContact O-N 3.17Å; P270-V272 PolarHBondContact O-N 3.1Å; V272-F648 HydrophobicContact CG2-CE2 4.02Å; V272-F648 HydrophobicContact CG2-CZ 3.96Å; V272-V650 HydrophobicContact CG2-CG2 4.49Å; V272-L657 HydrophobicContact CG1-CB 4.17Å; V272-L657 HydrophobicContact CG1-CD2 4.13Å
273	T	91.6	Very high	76.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.286	C	S	.	.			trans	-123.2	125.5	-177.7	-59.1	0	0	0	0	111	G271 Q289 M392 W397 V400	G271-T273 VanDerWaalsContact C-N 3.27Å; G271-T273 PolarHBondContact O-N 3.22Å; G271-T273 VanDerWaalsContact O-N 3.12Å; T273-Q289 PolarHBondContact O-NE2 3.38Å; T273-M392 HydrophobicContact CG2-CG 4.18Å; T273-M392 PolarHBondContact OG1-O 2.97Å; T273-W397 HydrophobicContact CG2-CB 4.49Å; T273-W397 WeakPolarHBondContact CG2-O 3.46Å; T273-W397 PolarHBondContact OG1-O 3.39Å; T273-V400 HydrophobicContact CG2-CB 4.16Å; T273-V400 HydrophobicContact CG2-CG2 3.45Å; T273-V400 VanDerWaalsContact CG2-CG2 3.45Å
274	G	90.9	Very high	79.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	147.8	179.6	0	0	0	0	0	112.1	A398 L399 V400 D654	G274-A398 PolarHBondContact N-O 2.78Å; G274-L399 WeakPolarHBondContact O-CA 3.37Å; G274-V400 PolarHBondContact O-N 3.46Å; G274-D654 CarbonylContact C-O 3.42Å; G274-D654 VanDerWaalsContact CA-O 3.32Å; G274-D654 WeakPolarHBondContact CA-O 3.33Å
275	L	93.1	Very high	82.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.7	172.8	-63.7	-177.9	0	0	0	109.2	N277 N285 L288 Q289 L388 M392 V400 P402 D654 S655	L275-N277 PolarHBondContact O-N 3.36Å; L275-N285 HydrophobicContact CB-CB 4.16Å; L275-N285 HydrophobicContact CD1-CB 4.21Å; L275-L288 HydrophobicContact CD1-CB 3.94Å; L275-L288 HydrophobicContact CD1-CD1 4.35Å; L275-Q289 HydrophobicContact CD1-CG 4.05Å; L275-L388 HydrophobicContact CD2-CD1 4.02Å; L275-M392 HydrophobicContact CD2-CG 4.49Å; L275-M392 HydrophobicContact CD2-SD 4.05Å; L275-V400 WeakPolarHBondContact CA-O 3.5Å; L275-V400 HydrophobicContact CD2-CB 4.47Å; L275-P402 HydrophobicContact CB-CG 4.33Å; L275-P402 HydrophobicContact CD2-CB 4.45Å; L275-P402 HydrophobicContact CD2-CG 4.46Å; L275-D654 PolarHBondContact N-O 2.72Å; L275-D654 CarbonylContact O-C 3.46Å; L275-D654 WeakPolarHBondContact O-CA 3.43Å; L275-D654 WeakPolarHBondContact O-CB 3.43Å; L275-S655 PolarHBondContact O-N 3.29Å
276	R	84.9	Confident	85.3	Confident	74 Å²	74	29.8 Å²	29.8	28%	0.279	17%	0.174	S	C	.	.			trans	-61.1	131.8	177.8	-171.6	173.3	-71	-100.9	-0.7	109.4	L278 N285 E367 V400	R276-L278 HydrophobicContact CB-CD2 4.47Å; R276-L278 HydrophobicContact CG-CD2 4.13Å; R276-L278 PolarHBondContact O-N 2.91Å; R276-N285 PolarHBondContact O-ND2 3.38Å; R276-E367 IonicContact NH2-OE1 2.84Å; R276-V400 PolarHBondContact N-O 2.97Å
277	N	86.9	Confident	88	Confident	29 Å²	29	25.6 Å²	25.6	16%	0.155	15%	0.146	C	C	.	.			trans	-75.1	118.9	169.7	-167.6	-34.5	0	0	0	108.8	L275 G279 T281 D654	L275-N277 PolarHBondContact O-N 3.36Å; N277-G279 VanDerWaalsContact C-N 3.33Å; N277-G279 PolarHBondContact O-N 3.06Å; N277-G279 PolarHBondContact OD1-N 3.25Å; N277-G279 PolarHBondContact OD1-O 2.98Å; N277-T281 PolarHBondContact OD1-N 3.45Å; N277-D654 HydrophobicContact CB-CB 4.03Å; N277-D654 WeakPolarHBondContact CB-OD2 3.33Å; N277-D654 PolarHBondContact ND2-OD2 2.87Å
278	L	80.9	Confident	89.9	Confident	9 Å²	9	18.5 Å²	18.5	5%	0.047	11%	0.11	C	C	.	.			trans	-100.6	41.9	-178.6	-58.5	172.2	0	0	0	110.3	L87 R276 T281 P402 F403 L406 Y419	L87-L278 HydrophobicContact CD1-CD2 4.09Å; R276-L278 HydrophobicContact CB-CD2 4.47Å; R276-L278 HydrophobicContact CG-CD2 4.13Å; R276-L278 PolarHBondContact O-N 2.91Å; L278-T281 HydrophobicContact CB-CG2 3.9Å; L278-T281 PolarHBondContact N-OG1 3.24Å; L278-P402 HydrophobicContact CD1-CG 4.41Å; L278-F403 HydrophobicContact CD1-CB 3.94Å; L278-F403 HydrophobicContact CD1-CD2 4.2Å; L278-L406 HydrophobicContact CB-CD2 3.93Å; L278-L406 HydrophobicContact CD1-CB 4.48Å; L278-L406 HydrophobicContact CD1-CD2 3.84Å; L278-Y419 VanDerWaalsContact O-CD1 3.23Å; L278-Y419 WeakPolarHBondContact O-CD1 3.32Å; L278-Y419 WeakPolarHBondContact O-CE1 3.44Å
279	G	79.8	Confident	91	Very high	42 Å²	42	17.4 Å²	17.4	43%	0.433	10%	0.103	S	C	.	.	S	Bend	trans	114.3	-93.4	179.7	0	0	0	0	0	112	N277	N277-G279 VanDerWaalsContact C-N 3.33Å; N277-G279 PolarHBondContact O-N 3.06Å; N277-G279 PolarHBondContact OD1-N 3.25Å; N277-G279 PolarHBondContact OD1-O 2.98Å
280	N	86.9	Confident	91.8	Very high	56 Å²	56	14.4 Å²	14.4	30%	0.299	9%	0.085	S	C	.	.	S	Bend	trans	-115.5	32.2	177.8	-76.7	-42.4	0	0	0	111.7	C282 Y283 Y419 Q421	N280-C282 VanDerWaalsContact C-N 3.3Å; N280-C282 PolarHBondContact O-N 2.71Å; N280-Y283 WeakPolarHBondContact O-CD1 3.34Å; N280-Y283 WeakPolarHBondContact O-CE1 3.34Å; N280-Y419 WeakPolarHBondContact CB-O 3.39Å; N280-Y419 PolarHBondContact ND2-O 3.04Å; N280-Q421 HydrophobicContact CB-CG 4.03Å; N280-Q421 PolarHBondContact OD1-NE2 3.24Å
281	T	91.7	Very high	92.2	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.018	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	11.6	-173.6	65.6	0	0	0	0	114	N277 L278 Y283 M284 N285 L406	N277-T281 PolarHBondContact OD1-N 3.45Å; L278-T281 HydrophobicContact CB-CG2 3.9Å; L278-T281 PolarHBondContact N-OG1 3.24Å; T281-Y283 VanDerWaalsContact C-N 3.27Å; T281-Y283 PolarHBondContact O-N 3.39Å; T281-M284 HydrophobicContact CG2-CE 4.45Å; T281-M284 PolarHBondContact O-N 2.89Å; T281-N285 WeakPolarHBondContact O-CB 3.33Å; T281-N285 VanDerWaalsContact O-CG 3.3Å; T281-N285 PolarHBondContact O-N 2.91Å; T281-L406 HydrophobicContact CG2-CD1 3.77Å; T281-L406 HydrophobicContact CG2-CD2 3.81Å; T281-L406 HydrophobicContact CG2-CG 4.42Å
282	C	95	Very high	92.8	Very high	7 Å²	7	12.8 Å²	12.8	5%	0.047	8%	0.075	C	C	.	.	H	α-helix	trans	-60.7	-35.2	-179	58.9	0	0	0	0	112.6	N280 N285 S286 H636 Y637	N280-C282 VanDerWaalsContact C-N 3.3Å; N280-C282 PolarHBondContact O-N 2.71Å; C282-N285 PolarHBondContact O-N 3.3Å; C282-S286 WeakPolarHBondContact O-CB 3.26Å; C282-S286 PolarHBondContact O-N 2.99Å; C282-S286 PolarHBondContact O-OG 3.25Å; C282-H636 VanDerWaalsContact CB-CE1 3.49Å; C282-H636 WeakPolarHBondContact CB-CE1 3.24Å; C282-H636 WeakPolarHBondContact CB-ND1 3.33Å; C282-Y637 PolarHBondContact SG-N 2.81Å; C282-Y637 VanDerWaalsContact SG-N 3.4Å
283	Y	96.1	Very high	93	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.016	7%	0.067	C	C	.	.	H	α-helix	trans	-58.5	-50.8	174.2	72.3	-89.2	0	0	0	110.4	N280 T281 S286 V287 F416 Q422 F427	N280-Y283 WeakPolarHBondContact O-CD1 3.34Å; N280-Y283 WeakPolarHBondContact O-CE1 3.34Å; T281-Y283 VanDerWaalsContact C-N 3.27Å; T281-Y283 PolarHBondContact O-N 3.39Å; Y283-S286 PolarHBondContact O-N 2.97Å; Y283-S286 PolarHBondContact O-OG 3.27Å; Y283-V287 WeakPolarHBondContact O-CG2 3.17Å; Y283-V287 PolarHBondContact O-N 3.5Å; Y283-F416 AromaticContact CE2-CD1 3.67Å; Y283-F416 HydrophobicContact CE2-CD1 3.67Å; Y283-F416 HydrophobicContact CE2-CE1 4.07Å; Y283-F416 AromaticContact CZ-CD1 3.99Å; Y283-Q422 HydrophobicContact CD1-CB 3.96Å; Y283-Q422 HydrophobicContact CD2-CB 4.08Å; Y283-Q422 HydrophobicContact CE1-CB 3.79Å; Y283-Q422 HydrophobicContact CE1-CG 3.99Å; Y283-Q422 HydrophobicContact CE2-CB 3.94Å; Y283-Q422 HydrophobicContact CE2-CG 4.47Å; Y283-Q422 HydrophobicContact CG-CB 4.11Å; Y283-F427 HydrophobicContact CD2-CB 3.62Å; Y283-F427 AromaticContact CD2-CD1 4Å; Y283-F427 HydrophobicContact CD2-CD1 4Å; Y283-F427 HydrophobicContact CD2-CD2 4.23Å; Y283-F427 AromaticContact CD2-CG 3.66Å; Y283-F427 HydrophobicContact CD2-CG 3.66Å; Y283-F427 HydrophobicContact CE2-CB 3.82Å; Y283-F427 HydrophobicContact CE2-CD1 4.12Å; Y283-F427 AromaticContact CE2-CD2 3.63Å; Y283-F427 HydrophobicContact CE2-CD2 3.63Å; Y283-F427 HydrophobicContact CE2-CE2 4.26Å; Y283-F427 AromaticContact CE2-CG 3.55Å; Y283-F427 HydrophobicContact CE2-CG 3.55Å
284	M	97.2	Very high	93.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.8	-48.1	177.5	177.2	-176.4	81.9	0	0	111.3	T281 S286 V287 L288 P402 M405 L406 V409 F427	T281-M284 HydrophobicContact CG2-CE 4.45Å; T281-M284 PolarHBondContact O-N 2.89Å; M284-S286 VanDerWaalsContact C-N 3.31Å; M284-S286 PolarHBondContact O-N 3.11Å; M284-V287 PolarHBondContact O-N 3.06Å; M284-L288 HydrophobicContact CE-CD1 4.14Å; M284-L288 HydrophobicContact CG-CD1 3.6Å; M284-L288 HydrophobicContact CG-CG 4.05Å; M284-L288 WeakPolarHBondContact O-CB 3.23Å; M284-L288 VanDerWaalsContact O-CG 3.29Å; M284-L288 WeakPolarHBondContact O-CG 3.37Å; M284-L288 PolarHBondContact O-N 3.35Å; M284-L288 HydrophobicContact SD-CD1 4.16Å; M284-P402 HydrophobicContact CE-CB 4.28Å; M284-P402 HydrophobicContact CE-CG 4.01Å; M284-M405 HydrophobicContact SD-CG 4.29Å; M284-L406 HydrophobicContact CE-CB 4.05Å; M284-L406 HydrophobicContact CE-CD1 4.12Å; M284-L406 HydrophobicContact SD-CB 4.41Å; M284-L406 HydrophobicContact SD-CD1 4.03Å; M284-V409 HydrophobicContact SD-CG2 4.48Å; M284-F427 HydrophobicContact CB-CD1 4.31Å; M284-F427 HydrophobicContact CB-CE1 3.83Å; M284-F427 HydrophobicContact CB-CZ 4.01Å; M284-F427 HydrophobicContact CG-CE1 3.62Å; M284-F427 HydrophobicContact CG-CE2 4.43Å; M284-F427 HydrophobicContact CG-CZ 3.54Å; M284-F427 HydrophobicContact SD-CZ 4.28Å
285	N	97.7	Very high	93.1	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.011	8%	0.076	C	C	.	.	H	α-helix	trans	-59.6	-42.8	-179	-72.7	-10.1	0	0	0	111.5	L275 R276 T281 C282 L288 Q289 D654	L275-N285 HydrophobicContact CB-CB 4.16Å; L275-N285 HydrophobicContact CD1-CB 4.21Å; R276-N285 PolarHBondContact O-ND2 3.38Å; T281-N285 WeakPolarHBondContact O-CB 3.33Å; T281-N285 VanDerWaalsContact O-CG 3.3Å; T281-N285 PolarHBondContact O-N 2.91Å; C282-N285 PolarHBondContact O-N 3.3Å; N285-L288 PolarHBondContact O-N 3.33Å; N285-Q289 WeakPolarHBondContact O-CB 3.34Å; N285-Q289 WeakPolarHBondContact O-CG 3.28Å; N285-Q289 PolarHBondContact O-N 3.22Å; N285-D654 WeakPolarHBondContact CB-OD1 3.46Å; N285-D654 PolarHBondContact ND2-OD1 2.82Å
286	S	98.2	Very high	93	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.028	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-43.8	177.4	71.9	0	0	0	0	111.8	C282 Y283 M284 Q289 V290	C282-S286 WeakPolarHBondContact O-CB 3.26Å; C282-S286 PolarHBondContact O-N 2.99Å; C282-S286 PolarHBondContact O-OG 3.25Å; Y283-S286 PolarHBondContact O-N 2.97Å; Y283-S286 PolarHBondContact O-OG 3.27Å; M284-S286 VanDerWaalsContact C-N 3.31Å; M284-S286 PolarHBondContact O-N 3.11Å; S286-Q289 PolarHBondContact O-N 2.91Å; S286-V290 WeakPolarHBondContact O-CG2 3.47Å; S286-V290 PolarHBondContact O-N 3.47Å; S286-V290 VanDerWaalsContact O-N 3.1Å
287	V	98.3	Very high	93.3	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-66.7	-46.3	178.1	169.3	0	0	0	0	111.9	Y283 M284 Q289 V290 L291 A424 F427 L428 L431	Y283-V287 WeakPolarHBondContact O-CG2 3.17Å; Y283-V287 PolarHBondContact O-N 3.5Å; M284-V287 PolarHBondContact O-N 3.06Å; V287-Q289 VanDerWaalsContact C-N 3.3Å; V287-Q289 PolarHBondContact O-N 3.39Å; V287-V290 PolarHBondContact O-N 2.96Å; V287-L291 HydrophobicContact CG1-CD1 4.02Å; V287-L291 HydrophobicContact CG1-CG 4.33Å; V287-L291 WeakPolarHBondContact O-CG 3.32Å; V287-L291 PolarHBondContact O-N 3.39Å; V287-A424 HydrophobicContact CG2-CB 4.15Å; V287-A424 WeakPolarHBondContact CG2-O 3.32Å; V287-F427 HydrophobicContact CB-CD1 3.93Å; V287-F427 HydrophobicContact CB-CE1 4.12Å; V287-F427 HydrophobicContact CG1-CD1 4Å; V287-F427 HydrophobicContact CG1-CE1 4.04Å; V287-F427 HydrophobicContact CG2-CD1 4.07Å; V287-L428 HydrophobicContact CG1-CB 3.95Å; V287-L428 HydrophobicContact CG1-CD1 3.73Å; V287-L428 HydrophobicContact CG1-CG 4.34Å; V287-L428 HydrophobicContact CG2-CB 4.16Å; V287-L431 HydrophobicContact CG1-CD2 4.49Å
288	L	98.1	Very high	93.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.3	-39.2	177.8	-69.3	174.5	0	0	0	111.7	L275 M284 N285 S292 L385 L388 M405 L431	L275-L288 HydrophobicContact CD1-CB 3.94Å; L275-L288 HydrophobicContact CD1-CD1 4.35Å; M284-L288 HydrophobicContact CE-CD1 4.14Å; M284-L288 HydrophobicContact CG-CD1 3.6Å; M284-L288 HydrophobicContact CG-CG 4.05Å; M284-L288 WeakPolarHBondContact O-CB 3.23Å; M284-L288 VanDerWaalsContact O-CG 3.29Å; M284-L288 WeakPolarHBondContact O-CG 3.37Å; M284-L288 PolarHBondContact O-N 3.35Å; M284-L288 HydrophobicContact SD-CD1 4.16Å; N285-L288 PolarHBondContact O-N 3.33Å; L288-S292 VanDerWaalsContact O-CB 3.28Å; L288-S292 WeakPolarHBondContact O-CB 3.49Å; L288-S292 PolarHBondContact O-N 2.94Å; L288-S292 PolarHBondContact O-OG 3.12Å; L288-L385 HydrophobicContact CD2-CD2 3.65Å; L288-L388 HydrophobicContact CD1-CD2 3.88Å; L288-L388 HydrophobicContact CD2-CD2 4.48Å; L288-M405 HydrophobicContact CD1-CG 3.93Å; L288-M405 HydrophobicContact CD2-CE 4.35Å; L288-M405 HydrophobicContact CD2-CG 4.43Å; L288-L431 HydrophobicContact CD2-CD2 4.36Å
289	Q	97.9	Very high	93.9	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-61.1	-47.1	174	-73.4	-74	8.4	0	0	111.2	T273 L275 N285 S286 V287 S292 H293 C652	T273-Q289 PolarHBondContact O-NE2 3.38Å; L275-Q289 HydrophobicContact CD1-CG 4.05Å; N285-Q289 WeakPolarHBondContact O-CB 3.34Å; N285-Q289 WeakPolarHBondContact O-CG 3.28Å; N285-Q289 PolarHBondContact O-N 3.22Å; S286-Q289 PolarHBondContact O-N 2.91Å; V287-Q289 VanDerWaalsContact C-N 3.3Å; V287-Q289 PolarHBondContact O-N 3.39Å; Q289-S292 PolarHBondContact O-N 3.34Å; Q289-S292 PolarHBondContact O-OG 2.88Å; Q289-H293 PolarHBondContact O-N 3.46Å; Q289-H293 PolarHBondContact O-ND1 2.95Å; Q289-C652 HydrophobicContact CB-CB 4.14Å; Q289-C652 HydrophobicContact CG-CB 3.87Å
290	V	98.1	Very high	94.2	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-60.3	-53.8	177	172.5	0	0	0	0	111.5	S286 V287 S292 H293 L294 A623 V625 A639 F674	S286-V290 WeakPolarHBondContact O-CG2 3.47Å; S286-V290 PolarHBondContact O-N 3.47Å; S286-V290 VanDerWaalsContact O-N 3.1Å; V287-V290 PolarHBondContact O-N 2.96Å; V290-S292 PolarHBondContact O-N 3.29Å; V290-H293 PolarHBondContact O-N 3.45Å; V290-L294 HydrophobicContact CG1-CG 4.45Å; V290-L294 PolarHBondContact O-N 3.49Å; V290-L294 VanDerWaalsContact O-N 3.09Å; V290-A623 HydrophobicContact CB-CB 4.31Å; V290-A623 HydrophobicContact CG1-CB 3.77Å; V290-A623 HydrophobicContact CG2-CB 3.81Å; V290-V625 HydrophobicContact CG2-CG2 3.74Å; V290-A639 HydrophobicContact CG2-CB 3.99Å; V290-F674 HydrophobicContact CG1-CD1 3.84Å; V290-F674 HydrophobicContact CG1-CD2 3.73Å; V290-F674 HydrophobicContact CG1-CE1 3.8Å; V290-F674 HydrophobicContact CG1-CE2 3.73Å; V290-F674 HydrophobicContact CG1-CG 3.8Å; V290-F674 HydrophobicContact CG1-CZ 3.76Å; V290-F674 HydrophobicContact CG2-CE2 4.38Å
291	L	97.3	Very high	94.2	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-57.8	-37.2	-179.2	-69.3	178.4	0	0	0	112.2	V287 H293 L294 F297 F389 L428 L431 F469	V287-L291 HydrophobicContact CG1-CD1 4.02Å; V287-L291 HydrophobicContact CG1-CG 4.33Å; V287-L291 WeakPolarHBondContact O-CG 3.32Å; V287-L291 PolarHBondContact O-N 3.39Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 3.08Å; L291-L294 HydrophobicContact CD2-CD1 4.24Å; L291-L294 PolarHBondContact O-N 3.49Å; L291-F297 HydrophobicContact CB-CD1 4.03Å; L291-F297 HydrophobicContact CB-CE1 3.92Å; L291-F297 HydrophobicContact CD1-CE1 4.26Å; L291-F297 HydrophobicContact CD1-CZ 4.33Å; L291-F297 HydrophobicContact CD2-CD1 4.38Å; L291-F297 HydrophobicContact CD2-CE1 4.22Å; L291-F297 HydrophobicContact CD2-CE2 4.42Å; L291-F297 HydrophobicContact CD2-CZ 4.24Å; L291-F297 HydrophobicContact CG-CE1 4.37Å; L291-F297 WeakPolarHBondContact O-CD1 3.28Å; L291-F389 HydrophobicContact CB-CZ 4.06Å; L291-L428 HydrophobicContact CD1-CD1 4.04Å; L291-L428 HydrophobicContact CD2-CD1 3.95Å; L291-L428 HydrophobicContact CG-CD1 4.21Å; L291-L431 HydrophobicContact CD1-CD2 3.97Å; L291-F469 HydrophobicContact CD2-CE2 4.38Å; L291-F469 HydrophobicContact CD2-CZ 4.08Å
292	S	96.4	Very high	93.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-69.5	-22	177	77.7	0	0	0	0	113.9	L288 Q289 V290 R298 F389 M392 W393	L288-S292 VanDerWaalsContact O-CB 3.28Å; L288-S292 WeakPolarHBondContact O-CB 3.49Å; L288-S292 PolarHBondContact O-N 2.94Å; L288-S292 PolarHBondContact O-OG 3.12Å; Q289-S292 PolarHBondContact O-N 3.34Å; Q289-S292 PolarHBondContact O-OG 2.88Å; V290-S292 PolarHBondContact O-N 3.29Å; S292-R298 WeakPolarHBondContact O-CB 3.19Å; S292-R298 WeakPolarHBondContact O-CD 3.49Å; S292-R298 WeakPolarHBondContact O-CG 3.4Å; S292-F389 VanDerWaalsContact CB-CE1 3.44Å; S292-M392 VanDerWaalsContact OG-CE 3.28Å; S292-M392 WeakPolarHBondContact OG-CE 3.37Å; S292-W393 VanDerWaalsContact O-CZ2 3.31Å; S292-W393 WeakPolarHBondContact O-CZ2 3.44Å; S292-W393 PolarHBondContact O-NE1 2.98Å
293	H	95.8	Very high	93.2	Very high	9 Å²	9	16.8 Å²	16.8	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-96.4	-13.8	179.5	-74.7	76.1	0	0	0	113	G271 Q289 V290 L291 L295 W393 C641	G271-H293 PolarHBondContact O-CE1 3.4Å; G271-H293 PolarHBondContact O-NE2 3.46Å; Q289-H293 PolarHBondContact O-N 3.46Å; Q289-H293 PolarHBondContact O-ND1 2.95Å; V290-H293 PolarHBondContact O-N 3.45Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 3.08Å; H293-L295 PolarHBondContact O-N 2.99Å; H293-L295 VanDerWaalsContact O-N 3.15Å; H293-W393 AromaticContact CD2-CZ2 3.83Å; H293-W393 AromaticContact NE2-CZ2 3.96Å; H293-C641 HydrophobicContact CB-CB 3.83Å
294	L	94.8	Very high	92.1	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	8%	0.082	C	C	.	.	S	Bend	trans	-69.6	107.7	168.2	-64.7	179.5	0	0	0	109.5	V290 L291 I296 F297 R298 F469 V569 F674	V290-L294 HydrophobicContact CG1-CG 4.45Å; V290-L294 PolarHBondContact O-N 3.49Å; V290-L294 VanDerWaalsContact O-N 3.09Å; L291-L294 HydrophobicContact CD2-CD1 4.24Å; L291-L294 PolarHBondContact O-N 3.49Å; L294-I296 PolarHBondContact O-N 2.9Å; L294-F297 HydrophobicContact CB-CB 3.95Å; L294-F297 PolarHBondContact O-N 2.89Å; L294-R298 WeakPolarHBondContact O-CB 3.45Å; L294-R298 PolarHBondContact O-N 3.26Å; L294-F469 HydrophobicContact CD1-CE1 3.86Å; L294-F469 HydrophobicContact CD1-CZ 3.58Å; L294-V569 HydrophobicContact CD1-CG1 4.27Å; L294-V569 HydrophobicContact CD2-CG1 4.03Å; L294-V569 HydrophobicContact CD2-CG2 4.5Å; L294-F674 HydrophobicContact CD1-CD1 4.36Å
295	L	90.8	Very high	90.4	Very high	31 Å²	31	21.1 Å²	21.1	16%	0.162	11%	0.105	C	C	.	.	H	α-helix	trans	-52.1	-50.4	-168.3	-180	63.5	0	0	0	113.7	H293 R298 Q299 L687	H293-L295 PolarHBondContact O-N 2.99Å; H293-L295 VanDerWaalsContact O-N 3.15Å; L295-R298 PolarHBondContact O-N 3.36Å; L295-Q299 HydrophobicContact CD1-CG 4.11Å; L295-Q299 WeakPolarHBondContact O-CB 3.24Å; L295-Q299 VanDerWaalsContact O-CG 3.29Å; L295-Q299 WeakPolarHBondContact O-CG 3.48Å; L295-Q299 PolarHBondContact O-N 3.1Å; L295-L687 HydrophobicContact CD2-CB 3.87Å; L295-L687 HydrophobicContact CD2-CD1 3.96Å; L295-L687 HydrophobicContact CD2-CD2 3.68Å; L295-L687 HydrophobicContact CD2-CG 4.03Å
296	I	89.5	Confident	88.7	Confident	48 Å²	48	21.4 Å²	21.4	25%	0.246	11%	0.106	C	C	.	.	H	α-helix	trans	-68.2	-44.6	-174.8	-62.8	173.9	0	0	0	110.1	L294 Q299 C300 V464 I468 Q568	L294-I296 PolarHBondContact O-N 2.9Å; I296-Q299 PolarHBondContact O-N 3.4Å; I296-C300 WeakPolarHBondContact O-CB 3.44Å; I296-C300 PolarHBondContact O-N 3.01Å; I296-V464 HydrophobicContact CG2-CG1 3.89Å; I296-V464 HydrophobicContact CG2-CG2 4.45Å; I296-I468 HydrophobicContact CB-CD1 4.13Å; I296-I468 HydrophobicContact CG2-CD1 4.27Å; I296-Q568 HydrophobicContact CD1-CG 4.16Å
297	F	91.4	Very high	86.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-50.1	175.7	-165.3	-88.1	0	0	0	110.9	L291 L294 Q299 C300 F301 F389 L432 V465 I468	L291-F297 HydrophobicContact CB-CD1 4.03Å; L291-F297 HydrophobicContact CB-CE1 3.92Å; L291-F297 HydrophobicContact CD1-CE1 4.26Å; L291-F297 HydrophobicContact CD1-CZ 4.33Å; L291-F297 HydrophobicContact CD2-CD1 4.38Å; L291-F297 HydrophobicContact CD2-CE1 4.22Å; L291-F297 HydrophobicContact CD2-CE2 4.42Å; L291-F297 HydrophobicContact CD2-CZ 4.24Å; L291-F297 HydrophobicContact CG-CE1 4.37Å; L291-F297 WeakPolarHBondContact O-CD1 3.28Å; L294-F297 HydrophobicContact CB-CB 3.95Å; L294-F297 PolarHBondContact O-N 2.89Å; F297-Q299 PolarHBondContact O-N 2.91Å; F297-C300 WeakPolarHBondContact O-CB 3.38Å; F297-C300 PolarHBondContact O-N 3.34Å; F297-F301 AromaticContact CD1-CD2 3.89Å; F297-F301 HydrophobicContact CD1-CD2 3.89Å; F297-F301 HydrophobicContact CD1-CE2 4.14Å; F297-F301 HydrophobicContact CD2-CE2 4.3Å; F297-F301 AromaticContact CE1-CD2 3.6Å; F297-F301 HydrophobicContact CE1-CD2 3.6Å; F297-F301 AromaticContact CE1-CE2 3.53Å; F297-F301 HydrophobicContact CE1-CE2 3.53Å; F297-F301 HydrophobicContact CE1-CZ 4.4Å; F297-F301 HydrophobicContact CE2-CD2 4.43Å; F297-F301 AromaticContact CE2-CE2 3.74Å; F297-F301 HydrophobicContact CE2-CE2 3.74Å; F297-F301 HydrophobicContact CG-CD2 4.41Å; F297-F301 HydrophobicContact CG-CE2 4.48Å; F297-F301 AromaticContact CZ-CD2 3.91Å; F297-F301 HydrophobicContact CZ-CD2 3.91Å; F297-F301 AromaticContact CZ-CE2 3.31Å; F297-F301 HydrophobicContact CZ-CE2 3.31Å; F297-F301 HydrophobicContact CZ-CZ 4.02Å; F297-F301 WeakPolarHBondContact O-CD2 3.38Å; F297-F301 PolarHBondContact O-N 3.45Å; F297-F301 VanDerWaalsContact O-N 3.11Å; F297-F389 AromaticContact CD1-CE2 3.82Å; F297-F389 HydrophobicContact CD1-CE2 3.82Å; F297-F389 HydrophobicContact CD1-CZ 4.18Å; F297-F389 AromaticContact CE1-CE2 3.87Å; F297-F389 HydrophobicContact CE1-CE2 3.87Å; F297-F389 HydrophobicContact CE1-CZ 4.02Å; F297-L432 HydrophobicContact CE2-CD2 3.83Å; F297-L432 HydrophobicContact CZ-CD2 4.03Å; F297-V465 HydrophobicContact CE2-CG2 4.17Å; F297-I468 HydrophobicContact CB-CD1 4.05Å
298	R	92.9	Very high	84.2	Confident	8 Å²	8	31.1 Å²	31.1	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-56.4	-53.2	177	-177.8	-165.3	70.5	-171.6	16.9	112.2	S292 L294 L295 C300 F301 L302 W393 E645	S292-R298 WeakPolarHBondContact O-CB 3.19Å; S292-R298 WeakPolarHBondContact O-CD 3.49Å; S292-R298 WeakPolarHBondContact O-CG 3.4Å; L294-R298 WeakPolarHBondContact O-CB 3.45Å; L294-R298 PolarHBondContact O-N 3.26Å; L295-R298 PolarHBondContact O-N 3.36Å; R298-C300 PolarHBondContact O-N 3.48Å; R298-F301 PolarHBondContact O-N 2.81Å; R298-L302 HydrophobicContact CG-CD1 3.8Å; R298-L302 HydrophobicContact CG-CG 4.24Å; R298-L302 WeakPolarHBondContact O-CB 3.39Å; R298-L302 WeakPolarHBondContact O-CG 3.46Å; R298-L302 PolarHBondContact O-N 3.22Å; R298-W393 VanDerWaalsContact NH1-CE3 3.34Å; R298-E645 IonicContact CZ-OE1 3.83Å; R298-E645 IonicContact NH1-OE1 3.23Å; R298-E645 PolarHBondContact NH1-OE1 3.25Å; R298-E645 IonicContact NH2-OE1 3.6Å; R298-E645 PolarHBondContact NH2-OE1 2.92Å
299	Q	88.6	Confident	81.8	Confident	57 Å²	57	31.8 Å²	31.8	27%	0.266	16%	0.157	S	C	.	.	H	α-helix	trans	-60.4	-39	-178.3	-76.3	-177.6	2.7	0	0	111.8	L295 I296 F297 L302 K303	L295-Q299 HydrophobicContact CD1-CG 4.11Å; L295-Q299 WeakPolarHBondContact O-CB 3.24Å; L295-Q299 VanDerWaalsContact O-CG 3.29Å; L295-Q299 WeakPolarHBondContact O-CG 3.48Å; L295-Q299 PolarHBondContact O-N 3.1Å; I296-Q299 PolarHBondContact O-N 3.4Å; F297-Q299 PolarHBondContact O-N 2.91Å; Q299-L302 PolarHBondContact O-N 3.46Å; Q299-K303 WeakPolarHBondContact O-CB 3.34Å; Q299-K303 VanDerWaalsContact O-CG 3.3Å; Q299-K303 WeakPolarHBondContact O-CG 3.28Å; Q299-K303 PolarHBondContact O-N 3.15Å
300	C	86.4	Confident	79.6	Confident	14 Å²	14	32.9 Å²	32.9	10%	0.095	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-50	177.5	-172.2	0	0	0	0	111.6	I296 F297 R298 K303 L304 V461 V464	I296-C300 WeakPolarHBondContact O-CB 3.44Å; I296-C300 PolarHBondContact O-N 3.01Å; F297-C300 WeakPolarHBondContact O-CB 3.38Å; F297-C300 PolarHBondContact O-N 3.34Å; R298-C300 PolarHBondContact O-N 3.48Å; C300-K303 PolarHBondContact O-N 2.97Å; C300-L304 PolarHBondContact O-N 3Å; C300-V461 WeakPolarHBondContact SG-CA 3.19Å; C300-V461 VanDerWaalsContact SG-CB 3.53Å; C300-V461 VanDerWaalsContact SG-CG1 3.58Å; C300-V461 WeakPolarHBondContact SG-CG2 3.47Å; C300-V464 HydrophobicContact CB-CG1 4.18Å
301	F	86.3	Confident	77.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-71.9	-34.4	177.2	-81.7	-89.7	0	0	0	112.9	F297 R298 K303 L304 C382 L385 H386 F389 I435 V461 V465	F297-F301 AromaticContact CD1-CD2 3.89Å; F297-F301 HydrophobicContact CD1-CD2 3.89Å; F297-F301 HydrophobicContact CD1-CE2 4.14Å; F297-F301 HydrophobicContact CD2-CE2 4.3Å; F297-F301 AromaticContact CE1-CD2 3.6Å; F297-F301 HydrophobicContact CE1-CD2 3.6Å; F297-F301 AromaticContact CE1-CE2 3.53Å; F297-F301 HydrophobicContact CE1-CE2 3.53Å; F297-F301 HydrophobicContact CE1-CZ 4.4Å; F297-F301 HydrophobicContact CE2-CD2 4.43Å; F297-F301 AromaticContact CE2-CE2 3.74Å; F297-F301 HydrophobicContact CE2-CE2 3.74Å; F297-F301 HydrophobicContact CG-CD2 4.41Å; F297-F301 HydrophobicContact CG-CE2 4.48Å; F297-F301 AromaticContact CZ-CD2 3.91Å; F297-F301 HydrophobicContact CZ-CD2 3.91Å; F297-F301 AromaticContact CZ-CE2 3.31Å; F297-F301 HydrophobicContact CZ-CE2 3.31Å; F297-F301 HydrophobicContact CZ-CZ 4.02Å; F297-F301 WeakPolarHBondContact O-CD2 3.38Å; F297-F301 PolarHBondContact O-N 3.45Å; F297-F301 VanDerWaalsContact O-N 3.11Å; R298-F301 PolarHBondContact O-N 2.81Å; F301-K303 VanDerWaalsContact C-N 3.28Å; F301-K303 PolarHBondContact O-N 3.39Å; F301-L304 HydrophobicContact CD1-CD2 4.17Å; F301-L304 HydrophobicContact CE1-CD2 4.35Å; F301-L304 WeakPolarHBondContact O-CB 3.14Å; F301-L304 PolarHBondContact O-N 3.14Å; F301-C382 HydrophobicContact CE1-CB 4.26Å; F301-L385 HydrophobicContact CD1-CB 3.87Å; F301-L385 HydrophobicContact CD1-CD1 4.33Å; F301-L385 HydrophobicContact CE1-CB 4.12Å; F301-L385 HydrophobicContact CE1-CD1 3.88Å; F301-L385 HydrophobicContact CZ-CD1 4.08Å; F301-H386 PolarHBondContact O-ND1 2.68Å; F301-F389 HydrophobicContact CB-CD2 3.75Å; F301-F389 HydrophobicContact CB-CE2 4.04Å; F301-F389 HydrophobicContact CD2-CE2 4.49Å; F301-F389 HydrophobicContact CG-CD2 4.5Å; F301-F389 HydrophobicContact CG-CE2 4.35Å; F301-I435 HydrophobicContact CZ-CG2 3.82Å; F301-V461 HydrophobicContact CE2-CG1 4.22Å; F301-V461 HydrophobicContact CZ-CG1 4.13Å; F301-V465 HydrophobicContact CE2-CG2 4.05Å; F301-V465 HydrophobicContact CZ-CG2 4.21Å
302	L	86	Confident	74.8	Confident	53 Å²	53	37.4 Å²	37.4	28%	0.277	20%	0.197	S	C	.	.	H	α-helix	trans	-65.2	-31.1	176.1	-74.6	176.9	0	0	0	113	R298 Q299 H386 F389 Q390	R298-L302 HydrophobicContact CG-CD1 3.8Å; R298-L302 HydrophobicContact CG-CG 4.24Å; R298-L302 WeakPolarHBondContact O-CB 3.39Å; R298-L302 WeakPolarHBondContact O-CG 3.46Å; R298-L302 PolarHBondContact O-N 3.22Å; Q299-L302 PolarHBondContact O-N 3.46Å; L302-H386 PolarHBondContact O-CE1 2.8Å; L302-F389 HydrophobicContact CD2-CB 3.96Å; L302-F389 HydrophobicContact CG-CB 4.45Å; L302-Q390 HydrophobicContact CD2-CB 4.31Å; L302-Q390 HydrophobicContact CD2-CG 3.76Å
303	K	79.6	Confident	72.5	Confident	112 Å²	112	37.8 Å²	37.8	49%	0.487	20%	0.199	S	C	.	.	H	α-helix	trans	-77.6	-24.3	175.6	-72.8	177.4	178.1	-171.5	0	113.2	Q299 C300 F301 D305 L457	Q299-K303 WeakPolarHBondContact O-CB 3.34Å; Q299-K303 VanDerWaalsContact O-CG 3.3Å; Q299-K303 WeakPolarHBondContact O-CG 3.28Å; Q299-K303 PolarHBondContact O-N 3.15Å; C300-K303 PolarHBondContact O-N 2.97Å; F301-K303 VanDerWaalsContact C-N 3.28Å; F301-K303 PolarHBondContact O-N 3.39Å; K303-D305 VanDerWaalsContact C-N 3.32Å; K303-D305 PolarHBondContact O-N 3.17Å; K303-L457 HydrophobicContact CB-CD1 4.26Å; K303-L457 VanDerWaalsContact O-CD2 3.32Å; K303-L457 WeakPolarHBondContact O-CD2 3.43Å
304	L	72.2	Confident	70	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.021	21%	0.214	C	C	.	.			trans	-66.8	78.3	-177.8	-168	87.6	0	0	0	111.7	C300 F301 L306 C382 H386 L457 V461	C300-L304 PolarHBondContact O-N 3Å; F301-L304 HydrophobicContact CD1-CD2 4.17Å; F301-L304 HydrophobicContact CE1-CD2 4.35Å; F301-L304 WeakPolarHBondContact O-CB 3.14Å; F301-L304 PolarHBondContact O-N 3.14Å; L304-L306 HydrophobicContact CD2-CD1 3.35Å; L304-L306 HydrophobicContact CD2-CG 3.94Å; L304-L306 HydrophobicContact CG-CD1 3.99Å; L304-L306 HydrophobicContact CG-CG 4.03Å; L304-L306 PolarHBondContact O-N 3.27Å; L304-L306 VanDerWaalsContact O-N 3.1Å; L304-C382 HydrophobicContact CD2-CB 4.03Å; L304-H386 PolarHBondContact O-CE1 2.91Å; L304-H386 PolarHBondContact O-ND1 2.89Å; L304-L457 HydrophobicContact CD1-CG 4.39Å; L304-V461 HydrophobicContact CB-CG2 4.41Å; L304-V461 HydrophobicContact CD1-CB 4.02Å; L304-V461 HydrophobicContact CD1-CG1 4.26Å; L304-V461 HydrophobicContact CD1-CG2 3.39Å; L304-V461 HydrophobicContact CG-CG2 4.43Å
305	D	61.3	Low	67.6	Low	90 Å²	90	42.8 Å²	42.8	48%	0.481	24%	0.238	S	C	.	.			trans	-75.1	98.6	174.1	-168.9	2.8	0	0	0	110.7	K303 N307 Q454	K303-D305 VanDerWaalsContact C-N 3.32Å; K303-D305 PolarHBondContact O-N 3.17Å; D305-N307 WeakPolarHBondContact OD1-CB 3.3Å; D305-N307 PolarHBondContact OD1-N 3.43Å; D305-N307 PolarHBondContact OD1-ND2 3.22Å; D305-Q454 PolarHBondContact O-NE2 3.13Å; D305-Q454 VanDerWaalsContact O-NE2 3.13Å
306	L	62	Low	65.3	Low	8 Å²	8	45.8 Å²	45.8	4%	0.042	25%	0.251	C	S	.	.			trans	-88.7	-2.7	-179.9	-83	156.6	0	0	0	113.6	L304 Q308 W309 L310 C382 H383	L304-L306 HydrophobicContact CD2-CD1 3.35Å; L304-L306 HydrophobicContact CD2-CG 3.94Å; L304-L306 HydrophobicContact CG-CD1 3.99Å; L304-L306 HydrophobicContact CG-CG 4.03Å; L304-L306 PolarHBondContact O-N 3.27Å; L304-L306 VanDerWaalsContact O-N 3.1Å; L306-Q308 PolarHBondContact O-N 2.93Å; L306-Q308 VanDerWaalsContact O-N 3.17Å; L306-W309 HydrophobicContact CD2-CB 4.15Å; L306-W309 HydrophobicContact CD2-CD2 4.04Å; L306-W309 HydrophobicContact CD2-CE3 3.81Å; L306-W309 HydrophobicContact CD2-CG 4.22Å; L306-W309 WeakPolarHBondContact O-CB 3.3Å; L306-W309 PolarHBondContact O-N 3.48Å; L306-L310 PolarHBondContact O-N 3.06Å; L306-C382 HydrophobicContact CD1-CB 3.89Å; L306-H383 HydrophobicContact CD1-CB 3.98Å
307	N	53.9	Low	62.9	Low	94 Å²	94	50.8 Å²	50.8	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-28	-174.3	-66.6	-48.7	0	0	0	112.8	D305	D305-N307 WeakPolarHBondContact OD1-CB 3.3Å; D305-N307 PolarHBondContact OD1-N 3.43Å; D305-N307 PolarHBondContact OD1-ND2 3.22Å
308	Q	48.6	Very low	60.1	Low	117 Å²	117	59.5 Å²	59.5	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-77.4	-23	176.9	-148.8	166.2	40.8	0	0	113	L306 V312	L306-Q308 PolarHBondContact O-N 2.93Å; L306-Q308 VanDerWaalsContact O-N 3.17Å; Q308-V312 WeakPolarHBondContact O-CG2 3.28Å
309	W	47.8	Very low	57.3	Low	14 Å²	14	69.9 Å²	69.9	5%	0.053	35%	0.348	C	S	.	.	H	α-helix	trans	-84.8	-39.3	-176	177.5	81.8	0	0	0	112.8	L306 A311 V312 T313 Y378 T442	L306-W309 HydrophobicContact CD2-CB 4.15Å; L306-W309 HydrophobicContact CD2-CD2 4.04Å; L306-W309 HydrophobicContact CD2-CE3 3.81Å; L306-W309 HydrophobicContact CD2-CG 4.22Å; L306-W309 WeakPolarHBondContact O-CB 3.3Å; L306-W309 PolarHBondContact O-N 3.48Å; W309-A311 PolarHBondContact O-N 3.47Å; W309-V312 PolarHBondContact O-N 3.42Å; W309-V312 VanDerWaalsContact O-N 3.09Å; W309-T313 HydrophobicContact CD2-CG2 4.44Å; W309-T313 HydrophobicContact CZ2-CG2 4.1Å; W309-T313 PolarHBondContact O-N 2.94Å; W309-T313 PolarHBondContact O-OG1 2.79Å; W309-Y378 AromaticContact CH2-CD1 3.99Å; W309-Y378 HydrophobicContact CH2-CD1 3.99Å; W309-Y378 AromaticContact CH2-CE1 3.8Å; W309-Y378 HydrophobicContact CH2-CE1 3.8Å; W309-Y378 HydrophobicContact CZ2-CE1 4.49Å; W309-Y378 HydrophobicContact CZ3-CD1 4.16Å; W309-Y378 HydrophobicContact CZ3-CE1 4.43Å; W309-T442 HydrophobicContact CZ2-CG2 3.98Å; W309-T442 VanDerWaalsContact NE1-CG2 3.27Å
310	L	51.7	Low	54.5	Low	25 Å²	25	71.4 Å²	71.4	13%	0.131	37%	0.365	C	S	.	.	H	α-helix	trans	-61.9	-29.3	177	-68.6	173.6	0	0	0	113	L306 T313 A314	L306-L310 PolarHBondContact O-N 3.06Å; L310-T313 PolarHBondContact O-OG1 3.23Å; L310-A314 WeakPolarHBondContact O-CB 3.5Å; L310-A314 PolarHBondContact O-N 3.05Å
311	A	48.9	Very low	51.8	Low	63 Å²	63	79.8 Å²	79.8	52%	0.521	40%	0.401	S	S	.	.	H	α-helix	trans	-71.6	-29.7	175.9	0	0	0	0	0	113.2	W309 S315	W309-A311 PolarHBondContact O-N 3.47Å; A311-S315 PolarHBondContact O-OG 2.96Å
312	V	46.7	Very low	49.1	Very low	35 Å²	35	85.4 Å²	85.4	21%	0.212	44%	0.438	C	S	.	.	H	α-helix	trans	-79.6	-45.2	-177.1	172.2	0	0	0	0	111	Q308 W309 A314 S315 L449	Q308-V312 WeakPolarHBondContact O-CG2 3.28Å; W309-V312 PolarHBondContact O-N 3.42Å; W309-V312 VanDerWaalsContact O-N 3.09Å; V312-A314 PolarHBondContact O-N 3.16Å; V312-S315 PolarHBondContact O-N 3Å; V312-L449 HydrophobicContact CG1-CB 3.77Å; V312-L449 HydrophobicContact CG1-CD2 3.82Å; V312-L449 HydrophobicContact CG1-CG 4.34Å
313	T	46.4	Very low	46.1	Very low	8 Å²	8	92.1 Å²	92.1	5%	0.049	47%	0.465	C	S	.	.	H	α-helix	trans	-71.4	-27.9	179.5	55.2	0	0	0	0	113.1	W309 L310 S315 E316 Y378	W309-T313 HydrophobicContact CD2-CG2 4.44Å; W309-T313 HydrophobicContact CZ2-CG2 4.1Å; W309-T313 PolarHBondContact O-N 2.94Å; W309-T313 PolarHBondContact O-OG1 2.79Å; L310-T313 PolarHBondContact O-OG1 3.23Å; T313-S315 PolarHBondContact O-N 3.38Å; T313-E316 PolarHBondContact O-N 3.03Å; T313-Y378 HydrophobicContact CG2-CE2 4.41Å
314	A	45	Very low	43.5	Very low	42 Å²	42	95.5 Å²	95.5	35%	0.347	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.2	172.3	0	0	0	0	0	113.6	L310 V312	L310-A314 WeakPolarHBondContact O-CB 3.5Å; L310-A314 PolarHBondContact O-N 3.05Å; V312-A314 PolarHBondContact O-N 3.16Å
315	S	42.6	Very low	41.3	Very low	76 Å²	76	100.3 Å²	100.3	53%	0.531	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-19.9	-178.3	-65.2	0	0	0	0	113.9	A311 V312 T313	A311-S315 PolarHBondContact O-OG 2.96Å; V312-S315 PolarHBondContact O-N 3Å; T313-S315 PolarHBondContact O-N 3.38Å
316	E	44.1	Very low	39.6	Very low	93 Å²	93	102.2 Å²	102.2	44%	0.435	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-35.3	-176.8	-71.8	-168.9	152.7	0	0	113.5	T313 K318 R319 S320	T313-E316 PolarHBondContact O-N 3.03Å; E316-K318 PolarHBondContact O-N 2.9Å; E316-R319 PolarHBondContact O-N 3.06Å; E316-S320 PolarHBondContact O-N 2.68Å
317	K	37.7	Very low	37.8	Very low	154 Å²	154	107.7 Å²	107.7	67%	0.67	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-18.7	176.4	-83.2	-176.3	177.6	176.8	0	114	R319 S320	K317-R319 VanDerWaalsContact C-N 3.35Å; K317-S320 PolarHBondContact O-OG 2.76Å
318	K	34.3	Very low	36.4	Very low	183 Å²	183	108.9 Å²	108.9	80%	0.796	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-13.8	170.8	-81.5	-174.9	176.2	179.8	0	113.5	E316	E316-K318 PolarHBondContact O-N 2.9Å
319	R	32.7	Very low	35.1	Very low	226 Å²	226	110.3 Å²	110.3	85%	0.853	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-13.5	177.9	-86.8	-178	171.3	170.3	-1.7	114.2	E316 K317	E316-R319 PolarHBondContact O-N 3.06Å; K317-R319 VanDerWaalsContact C-N 3.35Å
320	S	29.7	Very low	34	Very low	89 Å²	89	116.1 Å²	116.1	62%	0.622	62%	0.624	S	S	*	*	S	Bend	trans	-87	-3.3	179.9	58.7	0	0	0	0	114.9	E316 K317	E316-S320 PolarHBondContact O-N 2.68Å; K317-S320 PolarHBondContact O-OG 2.76Å
321	F	29.4	Very low	32.6	Very low	190 Å²	190	120 Å²	120	83%	0.833	65%	0.649	S	S	*	*	S	Bend	trans	-112.9	57.7	175	-100.8	-83.7	0	0	0	111.3
322	C	30.8	Very low	31.3	Very low	117 Å²	117	126.6 Å²	126.6	79%	0.791	66%	0.662	S	S	*	*			trans	-168.2	72.1	162.2	-118	0	0	0	0	111.4
323	K	22.6	Very low	30.1	Very low	194 Å²	194	132 Å²	132	84%	0.843	68%	0.684	S	S	*	*			trans	-149.9	101.3	156.3	-70	-164.8	-179.8	179.4	0	109.4
324	H	24.6	Very low	28.9	Very low	184 Å²	184	138.6 Å²	138.6	85%	0.852	72%	0.717	S	S	*	*				-175.6	140	118.4	-87.3	-64.1	0	0	0	109.3
325	P	26.6	Very low	27.8	Very low	105 Å²	105	143.3 Å²	143.3	68%	0.682	74%	0.736	S	S	*	*			trans	-90	154.8	-174.7	35.9	-32	0	0	0	111.7
326	P	25.9	Very low	26.7	Very low	130 Å²	130	147.7 Å²	147.7	84%	0.844	75%	0.748	S	S	*	*			trans	-98.6	128.3	158.4	32.9	-22.7	0	0	0	110.3
327	V	23.4	Very low	25.6	Very low	123 Å²	123	149.2 Å²	149.2	75%	0.745	77%	0.767	S	S	*	*			trans	-108.1	114.8	167.8	172.2	0	0	0	0	106.9
328	T	24.9	Very low	24.8	Very low	118 Å²	118	150.2 Å²	150.2	72%	0.724	78%	0.775	S	S	*	*			trans	150.5	104.9	132.2	50.6	0	0	0	0	112
329	D	22	Very low	24.3	Very low	147 Å²	147	151 Å²	151	79%	0.786	78%	0.781	S	S	*	*				40.9	114.6	128.4	-58.9	-25.1	0	0	0	121.2
330	T	24.1	Very low	23.8	Very low	137 Å²	137	149.7 Å²	149.7	84%	0.84	78%	0.782	S	S	*	*				-165	108.3	104.5	1.4	0	0	0	0	113
331	V	21.4	Very low	23.5	Very low	107 Å²	107	152.9 Å²	152.9	65%	0.648	79%	0.791	S	S	*	*			trans	29.2	117.4	135.9	-157.9	0	0	0	0	119.7
332	Y	22.5	Very low	23.2	Very low	201 Å²	201	150.8 Å²	150.8	79%	0.788	80%	0.795	S	S	*	*				-178.9	123.5	102.2	-104	-78	0	0	0	113.7
333	Q	21.6	Very low	22.7	Very low	147 Å²	147	148.4 Å²	148.4	69%	0.687	79%	0.79	S	S	*	*			trans	75.7	105.7	138.8	-118.5	162.3	-4.4	0	0	123.7
334	M	20.4	Very low	22.7	Very low	148 Å²	148	149.2 Å²	149.2	73%	0.729	79%	0.794	S	S	*	*				57	127.1	126.1	-58.4	-176.7	96.7	0	0	118.1
335	N	22	Very low	22.8	Very low	140 Å²	140	146.5 Å²	146.5	75%	0.749	79%	0.79	S	S	*	*				-170.4	154.4	64.9	-125.7	-0.5	0	0	0	111.8
336	E	20.2	Very low	22.6	Very low	168 Å²	168	151.7 Å²	151.7	79%	0.785	80%	0.796	S	S	*	*			trans	-62.1	149.9	178.8	-60.9	167.9	123.1	0	0	113.6
337	C	21.6	Very low	22.6	Very low	125 Å²	125	150.7 Å²	150.7	85%	0.845	79%	0.792	S	S	*	*				-179.6	146	102.7	-105	0	0	0	0	112.9
338	Q	21	Very low	22.5	Very low	176 Å²	176	155.5 Å²	155.5	82%	0.822	80%	0.796	S	S	*	*			trans	-63.9	157	-178.7	-63	164.5	-6.6	0	0	112.9
339	E	23.4	Very low	22.4	Very low	200 Å²	200	158.5 Å²	158.5	94%	0.935	80%	0.802	S	S	*	*				-166.9	157.1	121.9	-108.1	177.2	-172.2	0	0	114.1
340	K	22.9	Very low	22.6	Very low	198 Å²	198	156.8 Å²	156.8	86%	0.861	80%	0.802	S	S	*	*			trans	-91.6	163.8	-156.1	-75.2	169.4	170.3	170.3	0	114.8
341	D	22.6	Very low	22.5	Very low	155 Å²	155	156.1 Å²	156.1	83%	0.829	80%	0.802	S	S	*	*			trans	-31	144.6	161.8	-85.7	-40.8	0	0	0	117.2
342	T	22.3	Very low	22.8	Very low	147 Å²	147	159 Å²	159	90%	0.902	81%	0.813	S	S	*	*				-174.3	136.1	122.4	22.9	0	0	0	0	110.6
343	G	21.5	Very low	22.9	Very low	67 Å²	67	155.3 Å²	155.3	69%	0.691	82%	0.817	S	S	*	*			trans	-81.8	169	-178.1	0	0	0	0	0	114.9
344	F	22.2	Very low	23.1	Very low	211 Å²	211	153.8 Å²	153.8	93%	0.925	82%	0.823	S	S	*	*			trans	-169	142.7	145.2	-125.2	-90.1	0	0	0	112.5
345	V	25.8	Very low	23.3	Very low	126 Å²	126	150.6 Å²	150.6	76%	0.764	83%	0.828	S	S	*	*			trans	-76.5	140.4	172.4	170.4	0	0	0	0	110.7
346	R	22.5	Very low	23.5	Very low	215 Å²	215	152.5 Å²	152.5	81%	0.811	84%	0.837	S	S	*	*			trans	-162.9	122.5	149.7	-113.8	172.1	-174.5	-172.5	3.4	113.7
347	S	25.5	Very low	23.8	Very low	108 Å²	108	150.7 Å²	150.7	76%	0.755	84%	0.843	S	S	*	*			trans	-71.6	150.3	157.8	69.7	0	0	0	0	110.9
348	R	23.1	Very low	23.9	Very low	224 Å²	224	148.3 Å²	148.3	85%	0.845	84%	0.839	S	S	*	*			trans	-154.6	136.4	148.9	-102.7	177.1	-169.1	-172.8	0	111.6
349	Q	22.2	Very low	24.1	Very low	182 Å²	182	143.9 Å²	143.9	85%	0.85	84%	0.841	S	S	*	*			trans	-81.2	157.2	176.7	-73.6	169.1	-50.2	0	0	113.4
350	S	25.5	Very low	24.2	Very low	111 Å²	111	138.8 Å²	138.8	78%	0.776	83%	0.833	S	S	*	*			trans	53.8	132.5	140.6	69.2	0	0	0	0	122.3
351	S	23.4	Very low	24.4	Very low	122 Å²	122	135.6 Å²	135.6	85%	0.853	84%	0.836	S	S	*	*				-153.9	138.9	129	50.6	0	0	0	0	112.4
352	L	26	Very low	24.8	Very low	167 Å²	167	137.5 Å²	137.5	87%	0.874	84%	0.837	S	S	*	*			trans	-77.7	154.5	175	-75.7	127.9	0	0	0	111.4
353	S	24.6	Very low	25.3	Very low	124 Å²	124	135.8 Å²	135.8	87%	0.867	83%	0.831	S	S	*	*			trans	-142.4	138	146.2	68.8	0	0	0	0	111.5
354	S	26.7	Very low	25.9	Very low	116 Å²	116	141.8 Å²	141.8	81%	0.811	83%	0.833	S	S	*	*			trans	-104.4	139.9	-171.9	-46.4	0	0	0	0	110
355	G	24.3	Very low	26.6	Very low	81 Å²	81	138.2 Å²	138.2	84%	0.835	82%	0.817	S	S	*	*			trans	-154.9	114.2	167.8	0	0	0	0	0	110.6
356	L	27.3	Very low	27.6	Very low	180 Å²	180	135.3 Å²	135.3	94%	0.942	80%	0.796	S	S	*	*			trans	-89.3	133	-177.6	-70.2	161.6	0	0	0	111
357	S	25.1	Very low	28.6	Very low	129 Å²	129	128.2 Å²	128.2	90%	0.902	77%	0.772	S	S	*	*			trans	-172.9	136.9	136.6	-150.9	0	0	0	0	113.4
358	G	23.9	Very low	29.4	Very low	75 Å²	75	125 Å²	125	77%	0.773	75%	0.746	S	S	*	*			trans	86.7	103.9	145.5	0	0	0	0	0	118.9
359	G	25.3	Very low	30.4	Very low	84 Å²	84	118.7 Å²	118.7	87%	0.866	73%	0.728	S	S	*	*			trans	-73.5	155.4	179.2	0	0	0	0	0	116.3
360	A	24.6	Very low	31.4	Very low	92 Å²	92	111.4 Å²	111.4	76%	0.76	69%	0.694	S	S	*	*			trans	-164.5	119.4	145.5	0	0	0	0	0	108.2	K362	A360-K362 PolarHBondContact O-N 2.64Å
361	S	28.8	Very low	31.7	Very low	132 Å²	132	110.9 Å²	110.9	92%	0.923	69%	0.688	S	S	*	*			trans	-62.3	93.4	176.2	-59.8	0	0	0	0	110.6	S363	S361-S363 PolarHBondContact O-N 3.02Å
362	K	30.9	Very low	32.4	Very low	195 Å²	195	108.8 Å²	108.8	85%	0.848	66%	0.661	S	S	*	*			trans	-70.4	115.7	167.9	-80.8	-179.4	177.4	176	0	108.9	A360 R364	A360-K362 PolarHBondContact O-N 2.64Å; K362-R364 PolarHBondContact O-N 2.67Å; K362-R364 VanDerWaalsContact O-N 3.15Å
363	S	31.3	Very low	32.9	Very low	111 Å²	111	107.6 Å²	107.6	78%	0.776	65%	0.651	S	S	*	*			trans	-42.9	117.7	161.9	177.1	0	0	0	0	109.6	S361 K365	S361-S363 PolarHBondContact O-N 3.02Å; S363-K365 PolarHBondContact O-N 2.62Å; S363-K365 VanDerWaalsContact O-N 3.1Å
364	R	34.1	Very low	33.5	Very low	192 Å²	192	106.8 Å²	106.8	73%	0.725	64%	0.643	S	S	*	*			trans	-70.5	103.2	178.6	-74	177.7	175	175.5	-3.3	108.2	K362 M366	K362-R364 PolarHBondContact O-N 2.67Å; K362-R364 VanDerWaalsContact O-N 3.15Å; R364-M366 PolarHBondContact O-N 2.85Å; R364-M366 VanDerWaalsContact O-N 3.17Å
365	K	38	Very low	34.2	Very low	137 Å²	137	107.7 Å²	107.7	60%	0.596	64%	0.644	S	S	*	*			trans	-61.1	113.7	167.3	-89.8	-176.1	167.8	-162.4	0	108.5	D5 S363 E367	D5-K365 IonicContact OD2-NZ 3.07Å; S363-K365 PolarHBondContact O-N 2.62Å; S363-K365 VanDerWaalsContact O-N 3.1Å; K365-E367 HydrophobicContact CB-CG 4.37Å; K365-E367 WeakPolarHBondContact CD-OE2 3.21Å; K365-E367 IonicContact NZ-OE2 3.42Å; K365-E367 PolarHBondContact O-N 2.77Å
366	M	47	Very low	35.1	Very low	64 Å²	64	105.1 Å²	105.1	32%	0.315	61%	0.613	S	S	.	*			trans	-80	49.7	172.7	-58	-175.7	99.5	0	0	110.5	P266 V268 R364	P266-M366 HydrophobicContact CB-CE 3.68Å; P266-M366 HydrophobicContact CB-SD 4.24Å; P266-M366 HydrophobicContact CG-CE 3.68Å; P266-M366 HydrophobicContact CG-SD 4.16Å; P266-M366 WeakPolarHBondContact O-CE 3.4Å; V268-M366 HydrophobicContact CG2-CE 4.18Å; R364-M366 PolarHBondContact O-N 2.85Å; R364-M366 VanDerWaalsContact O-N 3.17Å
367	E	43.2	Very low	36.1	Very low	67 Å²	67	105.1 Å²	105.1	31%	0.313	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.8	120.2	-178.1	-60.8	-175.1	151.2	0	0	107.9	R276 K365 L399	R276-E367 IonicContact NH2-OE1 2.84Å; K365-E367 HydrophobicContact CB-CG 4.37Å; K365-E367 WeakPolarHBondContact CD-OE2 3.21Å; K365-E367 IonicContact NZ-OE2 3.42Å; K365-E367 PolarHBondContact O-N 2.77Å; E367-L399 HydrophobicContact CG-CD2 4.3Å
368	L	42.8	Very low	37.7	Very low	40 Å²	40	103.4 Å²	103.4	21%	0.209	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	105.1	166.5	-173.3	65.7	0	0	0	108	Q370 V391 W397 L399 S401	L368-Q370 HydrophobicContact CD2-CG 4.37Å; L368-Q370 PolarHBondContact O-N 3.33Å; L368-V391 HydrophobicContact CD2-CG1 3.63Å; L368-V391 HydrophobicContact CD2-CG2 3.98Å; L368-W397 HydrophobicContact CB-CD2 3.56Å; L368-W397 HydrophobicContact CB-CE3 3.54Å; L368-W397 HydrophobicContact CB-CG 4.11Å; L368-W397 HydrophobicContact CB-CH2 4.01Å; L368-W397 HydrophobicContact CB-CZ2 4.07Å; L368-W397 HydrophobicContact CB-CZ3 3.75Å; L368-W397 HydrophobicContact CD1-CH2 3.68Å; L368-W397 HydrophobicContact CD1-CZ2 3.65Å; L368-W397 HydrophobicContact CD1-CZ3 4.25Å; L368-W397 HydrophobicContact CD2-CD2 4.48Å; L368-W397 HydrophobicContact CD2-CZ2 4.29Å; L368-W397 HydrophobicContact CG-CD2 4.45Å; L368-W397 HydrophobicContact CG-CH2 4.37Å; L368-W397 HydrophobicContact CG-CZ2 4.2Å; L368-L399 PolarHBondContact N-O 3.41Å; L368-L399 VanDerWaalsContact N-O 3.17Å; L368-S401 PolarHBondContact O-N 2.82Å
369	I	44.3	Very low	40.1	Very low	91 Å²	91	103.1 Å²	103.1	47%	0.467	56%	0.563	S	S	.	*			trans	-82.1	106.3	156.5	-56	172.4	0	0	0	103.6
370	Q	41.5	Very low	42.9	Very low	30 Å²	30	99.2 Å²	99.2	14%	0.14	52%	0.523	C	S	.	.			trans	-52.3	136.5	170.3	-75	-176.4	-19.9	0	0	108	L368 R372	L368-Q370 HydrophobicContact CD2-CG 4.37Å; L368-Q370 PolarHBondContact O-N 3.33Å; Q370-R372 PolarHBondContact O-N 2.87Å
371	P	32.5	Very low	46	Very low	100 Å²	100	94.9 Å²	94.9	65%	0.649	49%	0.487	S	S	*	.			trans	-52.1	140.2	180	18.3	-28.7	0	0	0	110.7	E373	P371-E373 PolarHBondContact O-N 3.12Å
372	R	38.6	Very low	48.9	Very low	78 Å²	78	88.7 Å²	88.7	29%	0.294	44%	0.443	S	S	.	.	S	Bend	trans	-72.8	10.6	-176.6	-68.7	-168.8	-177.5	97.1	2.5	114.1	Y52 D83 D84 Q370	Y52-R372 PolarHBondContact OH-O 3.4Å; D83-R372 PolarHBondContact O-NE 2.9Å; D83-R372 PolarHBondContact O-NH1 3.06Å; D83-R372 PolarHBondContact O-NH2 3.31Å; D83-R372 VanDerWaalsContact O-NH2 3.15Å; D83-R372 IonicContact OD2-NH1 3.73Å; D83-R372 PolarHBondContact OD2-NH1 3.4Å; D84-R372 IonicContact OD1-CZ 3.82Å; D84-R372 IonicContact OD1-NE 3.63Å; D84-R372 PolarHBondContact OD1-NE 2.9Å; D84-R372 IonicContact OD1-NH2 3Å; D84-R372 PolarHBondContact OD1-NH2 2.76Å; D84-R372 IonicContact OD2-NH2 2.8Å; D84-R372 PolarHBondContact OD2-NH2 3.01Å; Q370-R372 PolarHBondContact O-N 2.87Å
373	E	35.9	Very low	51.5	Low	141 Å²	141	80.4 Å²	80.4	66%	0.659	41%	0.408	S	S	*	.	S	Bend	trans	-115.9	125.6	-177	-69.9	175	-175.9	0	0	108.6	P371 T375	P371-E373 PolarHBondContact O-N 3.12Å; E373-T375 PolarHBondContact O-N 2.91Å
374	P	38.1	Very low	54.3	Low	107 Å²	107	76.6 Å²	76.6	70%	0.695	38%	0.377	S	S	*	.			trans	-67.1	104.5	174.3	27.3	-30.1	0	0	0	108.1	S376	P374-S376 PolarHBondContact O-N 3.43Å
375	T	40.2	Very low	57.1	Low	135 Å²	135	67.4 Å²	67.4	83%	0.828	34%	0.343	S	S	*	.	S	Bend	trans	-68.2	5.2	173.4	39	0	0	0	0	113.3	E373	E373-T375 PolarHBondContact O-N 2.91Å
376	S	44.2	Very low	59.6	Low	28 Å²	28	61 Å²	61	20%	0.196	32%	0.315	C	S	.	.			trans	-137.3	128.5	174.9	173.6	0	0	0	0	110.7	P374 Y378	P374-S376 PolarHBondContact O-N 3.43Å; S376-Y378 PolarHBondContact O-N 2.94Å; S376-Y378 PolarHBondContact OG-N 2.87Å; S376-Y378 PolarHBondContact OG-O 2.82Å
377	Q	47.8	Very low	61.5	Low	179 Å²	179	59.6 Å²	59.6	84%	0.836	31%	0.31	S	S	*	.	S	Bend	trans	-69.4	0.1	168.3	-70.1	177.4	-8.6	0	0	112.8
378	Y	58.6	Low	63.9	Low	94 Å²	94	56.5 Å²	56.5	37%	0.369	30%	0.296	S	S	.	.	S	Bend	trans	-119.5	129.4	-176.7	-138.2	-88.4	0	0	0	110.9	W309 T313 S376	W309-Y378 AromaticContact CH2-CD1 3.99Å; W309-Y378 HydrophobicContact CH2-CD1 3.99Å; W309-Y378 AromaticContact CH2-CE1 3.8Å; W309-Y378 HydrophobicContact CH2-CE1 3.8Å; W309-Y378 HydrophobicContact CZ2-CE1 4.49Å; W309-Y378 HydrophobicContact CZ3-CD1 4.16Å; W309-Y378 HydrophobicContact CZ3-CE1 4.43Å; T313-Y378 HydrophobicContact CG2-CE2 4.41Å; S376-Y378 PolarHBondContact O-N 2.94Å; S376-Y378 PolarHBondContact OG-N 2.87Å; S376-Y378 PolarHBondContact OG-O 2.82Å
379	L	74.3	Confident	66.3	Low	69 Å²	69	54.6 Å²	54.6	36%	0.361	29%	0.286	S	S	.	.			trans	-91.5	125.5	177.1	-61.5	170.5	0	0	0	109	R411 L412	L379-R411 HydrophobicContact CD1-CB 3.6Å; L379-R411 HydrophobicContact CD1-CG 3.79Å; L379-L412 HydrophobicContact CB-CD1 4.27Å
380	S	84.8	Confident	68.5	Low	2 Å²	2	54.4 Å²	54.4	1%	0.014	28%	0.283	C	S	.	.			trans	-146.4	120.6	179.7	160	0	0	0	0	109.5	C382 H383 E384 E438	S380-C382 VanDerWaalsContact C-N 3.26Å; S380-C382 PolarHBondContact O-N 2.84Å; S380-C382 PolarHBondContact OG-N 3.2Å; S380-H383 PolarHBondContact O-N 3.43Å; S380-H383 WeakPolarHBondContact OG-CB 3.36Å; S380-H383 PolarHBondContact OG-N 2.85Å; S380-E384 WeakPolarHBondContact O-CG 3.49Å; S380-E384 PolarHBondContact O-N 2.85Å; S380-E384 VanDerWaalsContact O-N 3.14Å; S380-E438 WeakPolarHBondContact CA-OE1 3.41Å; S380-E438 VanDerWaalsContact CB-OE1 3.22Å; S380-E438 WeakPolarHBondContact CB-OE1 3.5Å; S380-E438 PolarHBondContact OG-OE1 2.84Å
381	L	89.9	Confident	70.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-33.9	176	-68.5	170.8	0	0	0	110.7	E384 L385 M405 V409 L412 I413 L431 K434 I435 E438	L381-E384 PolarHBondContact O-N 3.18Å; L381-L385 WeakPolarHBondContact O-CB 3.36Å; L381-L385 PolarHBondContact O-N 2.82Å; L381-M405 HydrophobicContact CD2-SD 4.19Å; L381-V409 HydrophobicContact CD2-CG2 3.99Å; L381-L412 HydrophobicContact CD1-CB 4.37Å; L381-L412 HydrophobicContact CD1-CD1 4.24Å; L381-L412 HydrophobicContact CD2-CD1 4.18Å; L381-L412 HydrophobicContact CG-CD1 3.67Å; L381-I413 HydrophobicContact CD1-CD1 4.22Å; L381-I413 HydrophobicContact CD1-CG1 4.45Å; L381-L431 HydrophobicContact CD1-CD1 4.2Å; L381-L431 HydrophobicContact CD2-CD1 4.38Å; L381-K434 HydrophobicContact CD1-CB 3.72Å; L381-I435 HydrophobicContact CB-CG1 4.08Å; L381-E438 PolarHBondContact N-OE1 3.5Å; L381-E438 PolarHBondContact N-OE2 2.89Å
382	C	89.4	Confident	73.5	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-42.3	177.7	-62.1	0	0	0	0	111.7	F301 L304 L306 S380 L385 H386 E438	F301-C382 HydrophobicContact CE1-CB 4.26Å; L304-C382 HydrophobicContact CD2-CB 4.03Å; L306-C382 HydrophobicContact CD1-CB 3.89Å; S380-C382 VanDerWaalsContact C-N 3.26Å; S380-C382 PolarHBondContact O-N 2.84Å; S380-C382 PolarHBondContact OG-N 3.2Å; C382-L385 PolarHBondContact O-N 3.1Å; C382-H386 WeakPolarHBondContact O-CB 3.4Å; C382-H386 PolarHBondContact O-N 3.4Å; C382-E438 WeakPolarHBondContact CB-OE1 3.27Å; C382-E438 PolarHBondContact N-OE1 3.19Å; C382-E438 PolarHBondContact SG-OE1 3.37Å
383	H	85.5	Confident	76.1	Confident	21 Å²	21	46.4 Å²	46.4	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-43.6	177	-179.3	67.6	0	0	0	112.1	L306 S380 H386 T387	L306-H383 HydrophobicContact CD1-CB 3.98Å; S380-H383 PolarHBondContact O-N 3.43Å; S380-H383 WeakPolarHBondContact OG-CB 3.36Å; S380-H383 PolarHBondContact OG-N 2.85Å; H383-H386 PolarHBondContact O-N 2.87Å; H383-T387 WeakPolarHBondContact O-CB 3.35Å; H383-T387 PolarHBondContact O-N 3.49Å; H383-T387 PolarHBondContact O-OG1 3.02Å
384	E	89.8	Confident	78.4	Confident	30 Å²	30	41.8 Å²	41.8	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-39.6	177.8	-67.4	-56.9	158.1	0	0	111.8	S380 L381 L388 A404 M405 S408	S380-E384 WeakPolarHBondContact O-CG 3.49Å; S380-E384 PolarHBondContact O-N 2.85Å; S380-E384 VanDerWaalsContact O-N 3.14Å; L381-E384 PolarHBondContact O-N 3.18Å; E384-L388 WeakPolarHBondContact O-CB 3.43Å; E384-L388 PolarHBondContact O-N 3.45Å; E384-A404 WeakPolarHBondContact OE2-CB 3.47Å; E384-M405 VanDerWaalsContact C-CE 3.47Å; E384-M405 HydrophobicContact CB-CB 4.4Å; E384-M405 HydrophobicContact CB-CE 3.54Å; E384-M405 HydrophobicContact CB-SD 4.06Å; E384-S408 WeakPolarHBondContact CG-OG 3.31Å
385	L	92.7	Very high	80.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-47.3	175.1	-85.6	178.5	0	0	0	111.5	L288 F301 L381 C382 T387 L388 F389 M405 I435	L288-L385 HydrophobicContact CD2-CD2 3.65Å; F301-L385 HydrophobicContact CD1-CB 3.87Å; F301-L385 HydrophobicContact CD1-CD1 4.33Å; F301-L385 HydrophobicContact CE1-CB 4.12Å; F301-L385 HydrophobicContact CE1-CD1 3.88Å; F301-L385 HydrophobicContact CZ-CD1 4.08Å; L381-L385 WeakPolarHBondContact O-CB 3.36Å; L381-L385 PolarHBondContact O-N 2.82Å; C382-L385 PolarHBondContact O-N 3.1Å; L385-T387 PolarHBondContact O-N 3.04Å; L385-L388 PolarHBondContact O-N 3.15Å; L385-F389 HydrophobicContact CD2-CE1 3.89Å; L385-F389 HydrophobicContact CD2-CZ 3.83Å; L385-F389 WeakPolarHBondContact O-CB 3.41Å; L385-F389 VanDerWaalsContact O-CG 3.27Å; L385-F389 WeakPolarHBondContact O-CG 3.48Å; L385-F389 PolarHBondContact O-N 3.08Å; L385-M405 HydrophobicContact CB-CE 4.05Å; L385-M405 HydrophobicContact CD2-CE 3.55Å; L385-M405 HydrophobicContact CG-CE 3.47Å; L385-M405 VanDerWaalsContact CG-CE 3.47Å; L385-M405 VanDerWaalsContact N-CE 3.27Å; L385-I435 HydrophobicContact CD1-CD1 3.26Å; L385-I435 HydrophobicContact CD1-CG1 4.16Å
386	H	89.6	Confident	82.3	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-54.2	-53.6	175.9	170.9	78.7	0	0	0	111.1	F301 L302 L304 C382 H383 L388 F389 Q390	F301-H386 PolarHBondContact O-ND1 2.68Å; L302-H386 PolarHBondContact O-CE1 2.8Å; L304-H386 PolarHBondContact O-CE1 2.91Å; L304-H386 PolarHBondContact O-ND1 2.89Å; C382-H386 WeakPolarHBondContact O-CB 3.4Å; C382-H386 PolarHBondContact O-N 3.4Å; H383-H386 PolarHBondContact O-N 2.87Å; H386-L388 PolarHBondContact O-N 2.99Å; H386-F389 PolarHBondContact O-N 2.91Å; H386-Q390 PolarHBondContact CE1-NE2 3.14Å; H386-Q390 PolarHBondContact NE2-NE2 3.42Å; H386-Q390 PolarHBondContact NE2-OE1 3.02Å; H386-Q390 WeakPolarHBondContact O-CB 3.29Å; H386-Q390 WeakPolarHBondContact O-CG 3.28Å; H386-Q390 PolarHBondContact O-N 2.93Å
387	T	88.8	Confident	84	Confident	35 Å²	35	39.3 Å²	39.3	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-45.1	-178.4	-58.2	0	0	0	0	111.2	H383 L385 Q390 V391	H383-T387 WeakPolarHBondContact O-CB 3.35Å; H383-T387 PolarHBondContact O-N 3.49Å; H383-T387 PolarHBondContact O-OG1 3.02Å; L385-T387 PolarHBondContact O-N 3.04Å; T387-Q390 PolarHBondContact O-N 3.42Å; T387-V391 VanDerWaalsContact O-CG2 3.3Å; T387-V391 WeakPolarHBondContact O-CG2 3.33Å; T387-V391 PolarHBondContact O-N 3.48Å
388	L	91.9	Very high	85.5	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-45.4	178.8	-177.4	60.5	0	0	0	111.6	L275 L288 E384 L385 H386 V391 M392 V400 P402	L275-L388 HydrophobicContact CD2-CD1 4.02Å; L288-L388 HydrophobicContact CD1-CD2 3.88Å; L288-L388 HydrophobicContact CD2-CD2 4.48Å; E384-L388 WeakPolarHBondContact O-CB 3.43Å; E384-L388 PolarHBondContact O-N 3.45Å; L385-L388 PolarHBondContact O-N 3.15Å; H386-L388 PolarHBondContact O-N 2.99Å; L388-V391 PolarHBondContact O-N 2.82Å; L388-M392 HydrophobicContact CD1-CG 4.27Å; L388-M392 HydrophobicContact CD1-SD 4.15Å; L388-M392 HydrophobicContact CD2-SD 4.37Å; L388-M392 HydrophobicContact CG-CG 4.41Å; L388-M392 HydrophobicContact CG-SD 3.83Å; L388-M392 VanDerWaalsContact O-CG 3.3Å; L388-M392 WeakPolarHBondContact O-CG 3.48Å; L388-M392 PolarHBondContact O-N 3.46Å; L388-V400 HydrophobicContact CD1-CG1 3.88Å; L388-P402 HydrophobicContact CD1-CB 4.42Å; L388-P402 HydrophobicContact CD2-CB 4.27Å
389	F	93.9	Very high	86.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-40.5	178.4	-71.2	0.8	0	0	0	111.9	L291 S292 F297 F301 L302 L385 H386 V391 M392 W393	L291-F389 HydrophobicContact CB-CZ 4.06Å; S292-F389 VanDerWaalsContact CB-CE1 3.44Å; F297-F389 AromaticContact CD1-CE2 3.82Å; F297-F389 HydrophobicContact CD1-CE2 3.82Å; F297-F389 HydrophobicContact CD1-CZ 4.18Å; F297-F389 AromaticContact CE1-CE2 3.87Å; F297-F389 HydrophobicContact CE1-CE2 3.87Å; F297-F389 HydrophobicContact CE1-CZ 4.02Å; F301-F389 HydrophobicContact CB-CD2 3.75Å; F301-F389 HydrophobicContact CB-CE2 4.04Å; F301-F389 HydrophobicContact CD2-CE2 4.49Å; F301-F389 HydrophobicContact CG-CD2 4.5Å; F301-F389 HydrophobicContact CG-CE2 4.35Å; L302-F389 HydrophobicContact CD2-CB 3.96Å; L302-F389 HydrophobicContact CG-CB 4.45Å; L385-F389 HydrophobicContact CD2-CE1 3.89Å; L385-F389 HydrophobicContact CD2-CZ 3.83Å; L385-F389 WeakPolarHBondContact O-CB 3.41Å; L385-F389 VanDerWaalsContact O-CG 3.27Å; L385-F389 WeakPolarHBondContact O-CG 3.48Å; L385-F389 PolarHBondContact O-N 3.08Å; H386-F389 PolarHBondContact O-N 2.91Å; F389-V391 VanDerWaalsContact C-N 3.28Å; F389-V391 PolarHBondContact O-N 3.31Å; F389-M392 PolarHBondContact O-N 3.44Å; F389-W393 WeakPolarHBondContact O-CB 3.28Å; F389-W393 PolarHBondContact O-N 2.93Å
390	Q	89.6	Confident	87.3	Confident	86 Å²	86	26 Å²	26	40%	0.402	13%	0.134	S	C	.	.	H	α-helix	trans	-57.2	-44	173.6	-78.9	-174.8	-24.2	0	0	111.5	L302 H386 T387 S394	L302-Q390 HydrophobicContact CD2-CB 4.31Å; L302-Q390 HydrophobicContact CD2-CG 3.76Å; H386-Q390 PolarHBondContact CE1-NE2 3.14Å; H386-Q390 PolarHBondContact NE2-NE2 3.42Å; H386-Q390 PolarHBondContact NE2-OE1 3.02Å; H386-Q390 WeakPolarHBondContact O-CB 3.29Å; H386-Q390 WeakPolarHBondContact O-CG 3.28Å; H386-Q390 PolarHBondContact O-N 2.93Å; T387-Q390 PolarHBondContact O-N 3.42Å; Q390-S394 WeakPolarHBondContact O-CA 3.32Å; Q390-S394 WeakPolarHBondContact O-CB 3.37Å; Q390-S394 PolarHBondContact O-N 3.32Å
391	V	88.9	Confident	87.4	Confident	19 Å²	19	26.7 Å²	26.7	12%	0.115	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-48.6	178.8	177.6	0	0	0	0	110.8	L368 T387 L388 F389 W393 S394 W397 V400	L368-V391 HydrophobicContact CD2-CG1 3.63Å; L368-V391 HydrophobicContact CD2-CG2 3.98Å; T387-V391 VanDerWaalsContact O-CG2 3.3Å; T387-V391 WeakPolarHBondContact O-CG2 3.33Å; T387-V391 PolarHBondContact O-N 3.48Å; L388-V391 PolarHBondContact O-N 2.82Å; F389-V391 VanDerWaalsContact C-N 3.28Å; F389-V391 PolarHBondContact O-N 3.31Å; V391-W393 VanDerWaalsContact C-N 3.32Å; V391-W393 PolarHBondContact O-N 2.5Å; V391-S394 PolarHBondContact O-N 3.45Å; V391-S394 PolarHBondContact O-OG 3.28Å; V391-W397 HydrophobicContact CG1-CB 4.36Å; V391-W397 VanDerWaalsContact CG1-CD1 3.44Å; V391-W397 HydrophobicContact CG1-CG 4.02Å; V391-V400 HydrophobicContact CB-CG2 4.48Å; V391-V400 HydrophobicContact CG1-CB 4.41Å; V391-V400 HydrophobicContact CG1-CG1 4.17Å; V391-V400 HydrophobicContact CG1-CG2 3.31Å
392	M	91.8	Very high	87.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-36.8	-179.7	-70.5	174.4	65.9	0	0	113	G271 T273 L275 S292 L388 F389	G271-M392 PolarHBondContact N-O 3.39Å; T273-M392 HydrophobicContact CG2-CG 4.18Å; T273-M392 PolarHBondContact OG1-O 2.97Å; L275-M392 HydrophobicContact CD2-CG 4.49Å; L275-M392 HydrophobicContact CD2-SD 4.05Å; S292-M392 VanDerWaalsContact OG-CE 3.28Å; S292-M392 WeakPolarHBondContact OG-CE 3.37Å; L388-M392 HydrophobicContact CD1-CG 4.27Å; L388-M392 HydrophobicContact CD1-SD 4.15Å; L388-M392 HydrophobicContact CD2-SD 4.37Å; L388-M392 HydrophobicContact CG-CG 4.41Å; L388-M392 HydrophobicContact CG-SD 3.83Å; L388-M392 VanDerWaalsContact O-CG 3.3Å; L388-M392 WeakPolarHBondContact O-CG 3.48Å; L388-M392 PolarHBondContact O-N 3.46Å; F389-M392 PolarHBondContact O-N 3.44Å
393	W	91.8	Very high	87.2	Confident	21 Å²	21	30 Å²	30	8%	0.08	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	8.6	-178.3	-68.4	87.3	0	0	0	113.5	P270 S292 H293 R298 F389 V391 G395 E645	P270-W393 HydrophobicContact CB-CE3 3.77Å; P270-W393 HydrophobicContact CB-CZ3 4.34Å; S292-W393 VanDerWaalsContact O-CZ2 3.31Å; S292-W393 WeakPolarHBondContact O-CZ2 3.44Å; S292-W393 PolarHBondContact O-NE1 2.98Å; H293-W393 AromaticContact CD2-CZ2 3.83Å; H293-W393 AromaticContact NE2-CZ2 3.96Å; R298-W393 VanDerWaalsContact NH1-CE3 3.34Å; F389-W393 WeakPolarHBondContact O-CB 3.28Å; F389-W393 PolarHBondContact O-N 2.93Å; V391-W393 VanDerWaalsContact C-N 3.32Å; V391-W393 PolarHBondContact O-N 2.5Å; W393-G395 VanDerWaalsContact C-N 3.29Å; W393-G395 PolarHBondContact O-N 3.27Å; W393-E645 HydrophobicContact CZ3-CB 4.22Å; W393-E645 HydrophobicContact CZ3-CG 3.93Å
394	S	85.4	Confident	87.1	Confident	44 Å²	44	30.2 Å²	30.2	31%	0.308	16%	0.158	S	C	.	.	S	Bend	trans	-73.8	-17.7	176.4	65.4	0	0	0	0	114.5	Q390 V391 K396	Q390-S394 WeakPolarHBondContact O-CA 3.32Å; Q390-S394 WeakPolarHBondContact O-CB 3.37Å; Q390-S394 PolarHBondContact O-N 3.32Å; V391-S394 PolarHBondContact O-N 3.45Å; V391-S394 PolarHBondContact O-OG 3.28Å; S394-K396 PolarHBondContact O-N 3.09Å; S394-K396 PolarHBondContact OG-N 2.87Å
395	G	81.3	Confident	87.1	Confident	5 Å²	5	28.9 Å²	28.9	5%	0.052	15%	0.152	C	C	.	.	S	Bend	trans	67.1	10.7	-170.9	0	0	0	0	0	114.9	V268 W393	V268-G395 PolarHBondContact N-O 3.12Å; V268-G395 CarbonylContact O-C 3.48Å; V268-G395 WeakPolarHBondContact O-CA 3.31Å; W393-G395 VanDerWaalsContact C-N 3.29Å; W393-G395 PolarHBondContact O-N 3.27Å
396	K	77.9	Confident	86.9	Confident	145 Å²	145	29 Å²	29	63%	0.63	15%	0.152	S	C	*	.	S	Bend	trans	-97.4	-21.5	-177.3	-64.5	173.8	-174.4	170.2	0	113.6	S394	S394-K396 PolarHBondContact O-N 3.09Å; S394-K396 PolarHBondContact OG-N 2.87Å
397	W	80.8	Confident	86.7	Confident	69 Å²	69	31.7 Å²	31.7	26%	0.261	17%	0.165	S	C	.	.			trans	-128.5	127.4	-166.6	-54.3	107.2	0	0	0	111.4	T273 L368 V391 V400	T273-W397 HydrophobicContact CG2-CB 4.49Å; T273-W397 WeakPolarHBondContact CG2-O 3.46Å; T273-W397 PolarHBondContact OG1-O 3.39Å; L368-W397 HydrophobicContact CB-CD2 3.56Å; L368-W397 HydrophobicContact CB-CE3 3.54Å; L368-W397 HydrophobicContact CB-CG 4.11Å; L368-W397 HydrophobicContact CB-CH2 4.01Å; L368-W397 HydrophobicContact CB-CZ2 4.07Å; L368-W397 HydrophobicContact CB-CZ3 3.75Å; L368-W397 HydrophobicContact CD1-CH2 3.68Å; L368-W397 HydrophobicContact CD1-CZ2 3.65Å; L368-W397 HydrophobicContact CD1-CZ3 4.25Å; L368-W397 HydrophobicContact CD2-CD2 4.48Å; L368-W397 HydrophobicContact CD2-CZ2 4.29Å; L368-W397 HydrophobicContact CG-CD2 4.45Å; L368-W397 HydrophobicContact CG-CH2 4.37Å; L368-W397 HydrophobicContact CG-CZ2 4.2Å; V391-W397 HydrophobicContact CG1-CB 4.36Å; V391-W397 VanDerWaalsContact CG1-CD1 3.44Å; V391-W397 HydrophobicContact CG1-CG 4.02Å; W397-V400 HydrophobicContact CB-CG2 4.05Å
398	A	79.4	Confident	86.6	Confident	40 Å²	40	30 Å²	30	33%	0.331	16%	0.155	S	C	.	.	S	Bend	trans	-86.9	-21.8	173.9	0	0	0	0	0	112.1	V268 G274	V268-A398 HydrophobicContact CG2-CB 4.18Å; G274-A398 PolarHBondContact N-O 2.78Å
399	L	85.5	Confident	86.5	Confident	22 Å²	22	30 Å²	30	12%	0.115	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	135.7	-177.6	179	64.6	0	0	0	110.6	G274 E367 L368 S655	G274-L399 WeakPolarHBondContact O-CA 3.37Å; E367-L399 HydrophobicContact CG-CD2 4.3Å; L368-L399 PolarHBondContact N-O 3.41Å; L368-L399 VanDerWaalsContact N-O 3.17Å; L399-S655 VanDerWaalsContact CD1-CB 3.49Å
400	V	84.6	Confident	86.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.1	179.5	177.5	0	0	0	0	110	T273 G274 L275 R276 L388 V391 W397 P402	T273-V400 HydrophobicContact CG2-CB 4.16Å; T273-V400 HydrophobicContact CG2-CG2 3.45Å; T273-V400 VanDerWaalsContact CG2-CG2 3.45Å; G274-V400 PolarHBondContact O-N 3.46Å; L275-V400 WeakPolarHBondContact CA-O 3.5Å; L275-V400 HydrophobicContact CD2-CB 4.47Å; R276-V400 PolarHBondContact N-O 2.97Å; L388-V400 HydrophobicContact CD1-CG1 3.88Å; V391-V400 HydrophobicContact CB-CG2 4.48Å; V391-V400 HydrophobicContact CG1-CB 4.41Å; V391-V400 HydrophobicContact CG1-CG1 4.17Å; V391-V400 HydrophobicContact CG1-CG2 3.31Å; W397-V400 HydrophobicContact CB-CG2 4.05Å; V400-P402 WeakPolarHBondContact O-CD 3.41Å
401	S	86.6	Confident	86	Confident	15 Å²	15	33.2 Å²	33.2	11%	0.105	16%	0.163	C	C	.	.			trans	-93.5	114.1	169.4	-173.4	0	0	0	0	110.3	L368 F403	L368-S401 PolarHBondContact O-N 2.82Å; S401-F403 PolarHBondContact O-N 3.26Å
402	P	90.6	Very high	85.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.			trans	-82.3	41.4	178.4	36.1	-36.7	0	0	0	111.8	L275 L278 M284 L388 V400 M405 L406	L275-P402 HydrophobicContact CB-CG 4.33Å; L275-P402 HydrophobicContact CD2-CB 4.45Å; L275-P402 HydrophobicContact CD2-CG 4.46Å; L278-P402 HydrophobicContact CD1-CG 4.41Å; M284-P402 HydrophobicContact CE-CB 4.28Å; M284-P402 HydrophobicContact CE-CG 4.01Å; L388-P402 HydrophobicContact CD1-CB 4.42Å; L388-P402 HydrophobicContact CD2-CB 4.27Å; V400-P402 WeakPolarHBondContact O-CD 3.41Å; P402-M405 HydrophobicContact CB-CB 4.36Å; P402-M405 PolarHBondContact O-N 3.26Å; P402-L406 WeakPolarHBondContact O-CB 3.47Å; P402-L406 PolarHBondContact O-N 2.97Å
403	F	84.7	Confident	85.7	Confident	72 Å²	72	35.2 Å²	35.2	32%	0.316	17%	0.172	S	C	.	.	H	α-helix	trans	-68.5	-41.3	-174.3	179.3	-94.5	0	0	0	112.4	L278 S401 M405 L406 H407	L278-F403 HydrophobicContact CD1-CB 3.94Å; L278-F403 HydrophobicContact CD1-CD2 4.2Å; S401-F403 PolarHBondContact O-N 3.26Å; F403-M405 VanDerWaalsContact C-N 3.34Å; F403-M405 PolarHBondContact O-N 3.08Å; F403-L406 PolarHBondContact O-N 2.75Å; F403-H407 WeakPolarHBondContact O-CB 3.35Å; F403-H407 PolarHBondContact O-N 3.43Å
404	A	82.9	Confident	85.2	Confident	27 Å²	27	38.9 Å²	38.9	22%	0.223	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-43.7	177.6	0	0	0	0	0	111.2	E384 H407 S408	E384-A404 WeakPolarHBondContact OE2-CB 3.47Å; A404-H407 PolarHBondContact O-N 3.44Å; A404-S408 PolarHBondContact O-N 3.15Å; A404-S408 PolarHBondContact O-OG 3.43Å
405	M	91.2	Very high	85.1	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-56.4	-50.9	170	177.6	56.9	77	0	0	112.4	M284 L288 L381 E384 L385 P402 F403 H407 S408 V409	M284-M405 HydrophobicContact SD-CG 4.29Å; L288-M405 HydrophobicContact CD1-CG 3.93Å; L288-M405 HydrophobicContact CD2-CE 4.35Å; L288-M405 HydrophobicContact CD2-CG 4.43Å; L381-M405 HydrophobicContact CD2-SD 4.19Å; E384-M405 VanDerWaalsContact C-CE 3.47Å; E384-M405 HydrophobicContact CB-CB 4.4Å; E384-M405 HydrophobicContact CB-CE 3.54Å; E384-M405 HydrophobicContact CB-SD 4.06Å; L385-M405 HydrophobicContact CB-CE 4.05Å; L385-M405 HydrophobicContact CD2-CE 3.55Å; L385-M405 HydrophobicContact CG-CE 3.47Å; L385-M405 VanDerWaalsContact CG-CE 3.47Å; L385-M405 VanDerWaalsContact N-CE 3.27Å; P402-M405 HydrophobicContact CB-CB 4.36Å; P402-M405 PolarHBondContact O-N 3.26Å; F403-M405 VanDerWaalsContact C-N 3.34Å; F403-M405 PolarHBondContact O-N 3.08Å; M405-H407 VanDerWaalsContact C-N 3.32Å; M405-H407 PolarHBondContact O-N 3.2Å; M405-S408 PolarHBondContact O-N 2.95Å; M405-V409 WeakPolarHBondContact O-CG2 3.46Å; M405-V409 PolarHBondContact O-N 3.23Å; M405-V409 HydrophobicContact SD-CG2 4.15Å
406	L	88.1	Confident	85.3	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-44.3	178.9	-179.2	64.1	0	0	0	112.1	L278 T281 M284 P402 F403 V409 W410 Y419	L278-L406 HydrophobicContact CB-CD2 3.93Å; L278-L406 HydrophobicContact CD1-CB 4.48Å; L278-L406 HydrophobicContact CD1-CD2 3.84Å; T281-L406 HydrophobicContact CG2-CD1 3.77Å; T281-L406 HydrophobicContact CG2-CD2 3.81Å; T281-L406 HydrophobicContact CG2-CG 4.42Å; M284-L406 HydrophobicContact CE-CB 4.05Å; M284-L406 HydrophobicContact CE-CD1 4.12Å; M284-L406 HydrophobicContact SD-CB 4.41Å; M284-L406 HydrophobicContact SD-CD1 4.03Å; P402-L406 WeakPolarHBondContact O-CB 3.47Å; P402-L406 PolarHBondContact O-N 2.97Å; F403-L406 PolarHBondContact O-N 2.75Å; L406-V409 PolarHBondContact O-N 2.99Å; L406-W410 HydrophobicContact CD1-CZ2 3.86Å; L406-W410 HydrophobicContact CD2-CH2 3.72Å; L406-W410 HydrophobicContact CD2-CZ2 3.7Å; L406-W410 HydrophobicContact CD2-CZ3 4.46Å; L406-W410 HydrophobicContact CG-CD2 4.31Å; L406-W410 HydrophobicContact CG-CH2 4.03Å; L406-W410 HydrophobicContact CG-CZ2 3.76Å; L406-W410 PolarHBondContact O-N 3.15Å; L406-Y419 HydrophobicContact CD2-CE1 4.48Å
407	H	84.5	Confident	85.5	Confident	59 Å²	59	38.4 Å²	38.4	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-64.7	-42.6	179	179.9	-97.2	0	0	0	111.3	F403 A404 M405 W410 R411	F403-H407 WeakPolarHBondContact O-CB 3.35Å; F403-H407 PolarHBondContact O-N 3.43Å; A404-H407 PolarHBondContact O-N 3.44Å; M405-H407 VanDerWaalsContact C-N 3.32Å; M405-H407 PolarHBondContact O-N 3.2Å; H407-W410 PolarHBondContact O-N 3.17Å; H407-R411 PolarHBondContact NE2-NE 3.23Å; H407-R411 VanDerWaalsContact O-CG 3.26Å; H407-R411 WeakPolarHBondContact O-CG 3.49Å; H407-R411 PolarHBondContact O-N 2.86Å; H407-R411 VanDerWaalsContact O-N 3.14Å
408	S	87.9	Confident	85.3	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-42.1	174.3	-69.3	0	0	0	0	112	E384 A404 M405 W410 R411 L412	E384-S408 WeakPolarHBondContact CG-OG 3.31Å; A404-S408 PolarHBondContact O-N 3.15Å; A404-S408 PolarHBondContact O-OG 3.43Å; M405-S408 PolarHBondContact O-N 2.95Å; S408-W410 PolarHBondContact O-N 3.01Å; S408-R411 PolarHBondContact O-N 3.33Å; S408-L412 WeakPolarHBondContact O-CB 3.34Å; S408-L412 WeakPolarHBondContact O-CG 3.31Å; S408-L412 PolarHBondContact O-N 2.83Å
409	V	89.8	Confident	85.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-48.8	173.7	166.8	0	0	0	0	111.3	M284 L381 M405 L406 R411 L412 I413 F416 F427	M284-V409 HydrophobicContact SD-CG2 4.48Å; L381-V409 HydrophobicContact CD2-CG2 3.99Å; M405-V409 WeakPolarHBondContact O-CG2 3.46Å; M405-V409 PolarHBondContact O-N 3.23Å; M405-V409 HydrophobicContact SD-CG2 4.15Å; L406-V409 PolarHBondContact O-N 2.99Å; V409-R411 PolarHBondContact O-N 2.78Å; V409-L412 PolarHBondContact O-N 2.82Å; V409-I413 HydrophobicContact CG1-CD1 4.46Å; V409-I413 WeakPolarHBondContact O-CA 3.49Å; V409-I413 WeakPolarHBondContact O-CB 3.44Å; V409-I413 PolarHBondContact O-N 3.39Å; V409-F416 HydrophobicContact CG1-CB 3.98Å; V409-F427 HydrophobicContact CG1-CE2 3.81Å; V409-F427 HydrophobicContact CG2-CE2 4.05Å; V409-F427 HydrophobicContact CG2-CZ 4.18Å
410	W	86.1	Confident	84.8	Confident	9 Å²	9	39.6 Å²	39.6	3%	0.034	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-27.9	179.8	-73.7	-10.6	0	0	0	114.7	Y76 L406 H407 S408 F416 R417 G418 Y419	Y76-W410 HydrophobicContact CE1-CH2 4.36Å; Y76-W410 AromaticContact CE1-CZ3 3.96Å; Y76-W410 HydrophobicContact CE1-CZ3 3.96Å; Y76-W410 AromaticContact CZ-CZ3 3.97Å; Y76-W410 VanDerWaalsContact OH-CZ3 3.24Å; Y76-W410 WeakPolarHBondContact OH-CZ3 3.49Å; L406-W410 HydrophobicContact CD1-CZ2 3.86Å; L406-W410 HydrophobicContact CD2-CH2 3.72Å; L406-W410 HydrophobicContact CD2-CZ2 3.7Å; L406-W410 HydrophobicContact CD2-CZ3 4.46Å; L406-W410 HydrophobicContact CG-CD2 4.31Å; L406-W410 HydrophobicContact CG-CH2 4.03Å; L406-W410 HydrophobicContact CG-CZ2 3.76Å; L406-W410 PolarHBondContact O-N 3.15Å; H407-W410 PolarHBondContact O-N 3.17Å; S408-W410 PolarHBondContact O-N 3.01Å; W410-F416 PolarHBondContact NE1-O 3.1Å; W410-F416 VanDerWaalsContact NE1-O 3.1Å; W410-R417 HydrophobicContact CB-CG 4.27Å; W410-R417 VanDerWaalsContact CD1-CA 3.48Å; W410-R417 HydrophobicContact CG-CG 4.41Å; W410-G418 WeakPolarHBondContact CZ2-O 3Å; W410-G418 VanDerWaalsContact NE1-N 3.15Å; W410-G418 PolarHBondContact NE1-O 3.17Å; W410-Y419 HydrophobicContact CH2-CD1 4.02Å; W410-Y419 HydrophobicContact CH2-CD2 4.31Å; W410-Y419 AromaticContact CH2-CE1 3.41Å; W410-Y419 HydrophobicContact CH2-CE1 3.41Å; W410-Y419 VanDerWaalsContact CH2-CE1 3.41Å; W410-Y419 AromaticContact CH2-CE2 3.75Å; W410-Y419 HydrophobicContact CH2-CE2 3.75Å; W410-Y419 HydrophobicContact CH2-CG 4.45Å; W410-Y419 AromaticContact CH2-CZ 3.28Å; W410-Y419 WeakPolarHBondContact CH2-OH 3.5Å; W410-Y419 AromaticContact CZ2-CD1 3.84Å; W410-Y419 HydrophobicContact CZ2-CD1 3.84Å; W410-Y419 HydrophobicContact CZ2-CD2 4.41Å; W410-Y419 AromaticContact CZ2-CE1 3.69Å; W410-Y419 HydrophobicContact CZ2-CE1 3.69Å; W410-Y419 HydrophobicContact CZ2-CE2 4.29Å; W410-Y419 HydrophobicContact CZ2-CG 4.22Å; W410-Y419 AromaticContact CZ2-CZ 3.96Å
411	R	85.6	Confident	84.7	Confident	145 Å²	145	43.1 Å²	43.1	55%	0.547	23%	0.229	S	C	.	.	H	α-helix	trans	-82.7	-37.4	179.1	-68.5	-68.8	-169.1	168.7	4.6	112.2	L379 H407 S408 V409	L379-R411 HydrophobicContact CD1-CB 3.6Å; L379-R411 HydrophobicContact CD1-CG 3.79Å; H407-R411 PolarHBondContact NE2-NE 3.23Å; H407-R411 VanDerWaalsContact O-CG 3.26Å; H407-R411 WeakPolarHBondContact O-CG 3.49Å; H407-R411 PolarHBondContact O-N 2.86Å; H407-R411 VanDerWaalsContact O-N 3.14Å; S408-R411 PolarHBondContact O-N 3.33Å; V409-R411 PolarHBondContact O-N 2.78Å
412	L	86.6	Confident	84.9	Confident	59 Å²	59	44.6 Å²	44.6	31%	0.309	23%	0.234	S	C	.	.	H	α-helix	trans	-98.7	-20.5	-172.2	-62.5	171.2	0	0	0	113.2	L379 L381 S408 V409	L379-L412 HydrophobicContact CB-CD1 4.27Å; L381-L412 HydrophobicContact CD1-CB 4.37Å; L381-L412 HydrophobicContact CD1-CD1 4.24Å; L381-L412 HydrophobicContact CD2-CD1 4.18Å; L381-L412 HydrophobicContact CG-CD1 3.67Å; S408-L412 WeakPolarHBondContact O-CB 3.34Å; S408-L412 WeakPolarHBondContact O-CG 3.31Å; S408-L412 PolarHBondContact O-N 2.83Å; V409-L412 PolarHBondContact O-N 2.82Å
413	I	89.3	Confident	85	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.242	C	C	.	.			trans	-127.3	83.1	-179.1	-35.6	-170.2	0	0	0	109.6	L381 V409 A415 F416 E430 K434	L381-I413 HydrophobicContact CD1-CD1 4.22Å; L381-I413 HydrophobicContact CD1-CG1 4.45Å; V409-I413 HydrophobicContact CG1-CD1 4.46Å; V409-I413 WeakPolarHBondContact O-CA 3.49Å; V409-I413 WeakPolarHBondContact O-CB 3.44Å; V409-I413 PolarHBondContact O-N 3.39Å; I413-A415 PolarHBondContact O-N 3.28Å; I413-A415 VanDerWaalsContact O-N 3.1Å; I413-F416 HydrophobicContact CB-CD2 4.34Å; I413-F416 HydrophobicContact CG2-CD2 3.58Å; I413-F416 HydrophobicContact CG2-CE2 4.17Å; I413-F416 PolarHBondContact O-N 3Å; I413-E430 HydrophobicContact CG2-CB 4.08Å; I413-K434 HydrophobicContact CD1-CB 4.3Å; I413-K434 HydrophobicContact CD1-CG 4.06Å; I413-K434 HydrophobicContact CG1-CB 4.5Å; I413-K434 HydrophobicContact CG1-CG 4.01Å
414	P	81.3	Confident	85.6	Confident	98 Å²	98	42.7 Å²	42.7	64%	0.636	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-56.2	-31.1	-172.8	-28.2	35.9	0	0	0	114.9	F416 R417	P414-F416 PolarHBondContact O-N 3.33Å; P414-R417 VanDerWaalsContact O-CB 3.29Å; P414-R417 WeakPolarHBondContact O-CB 3.49Å; P414-R417 PolarHBondContact O-N 3.48Å; P414-R417 VanDerWaalsContact O-N 3.12Å
415	A	82.2	Confident	86.1	Confident	63 Å²	63	43.2 Å²	43.2	52%	0.521	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-59	-28.9	178.1	0	0	0	0	0	113.4	I413 Q422	I413-A415 PolarHBondContact O-N 3.28Å; I413-A415 VanDerWaalsContact O-N 3.1Å; A415-Q422 PolarHBondContact O-NE2 2.95Å; A415-Q422 VanDerWaalsContact O-NE2 3.16Å
416	F	86.6	Confident	86.3	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-98.4	7.4	-178.7	-68.4	-92.7	0	0	0	113.1	Y283 V409 W410 I413 P414 G418 Q422 E426 F427 E430	Y283-F416 AromaticContact CE2-CD1 3.67Å; Y283-F416 HydrophobicContact CE2-CD1 3.67Å; Y283-F416 HydrophobicContact CE2-CE1 4.07Å; Y283-F416 AromaticContact CZ-CD1 3.99Å; V409-F416 HydrophobicContact CG1-CB 3.98Å; W410-F416 PolarHBondContact NE1-O 3.1Å; W410-F416 VanDerWaalsContact NE1-O 3.1Å; I413-F416 HydrophobicContact CB-CD2 4.34Å; I413-F416 HydrophobicContact CG2-CD2 3.58Å; I413-F416 HydrophobicContact CG2-CE2 4.17Å; I413-F416 PolarHBondContact O-N 3Å; P414-F416 PolarHBondContact O-N 3.33Å; F416-G418 PolarHBondContact O-N 3.39Å; F416-Q422 HydrophobicContact CD1-CB 3.75Å; F416-Q422 HydrophobicContact CD1-CG 3.68Å; F416-Q422 HydrophobicContact CE1-CB 3.68Å; F416-Q422 HydrophobicContact CE1-CG 4.07Å; F416-E426 HydrophobicContact CZ-CB 4.17Å; F416-E426 HydrophobicContact CZ-CG 3.96Å; F416-F427 HydrophobicContact CD1-CB 4.16Å; F416-F427 AromaticContact CD1-CD2 3.74Å; F416-F427 HydrophobicContact CD1-CD2 3.74Å; F416-F427 HydrophobicContact CD1-CG 4.37Å; F416-F427 HydrophobicContact CD2-CD2 4.47Å; F416-F427 HydrophobicContact CE1-CB 3.47Å; F416-F427 VanDerWaalsContact CE1-CB 3.47Å; F416-F427 AromaticContact CE1-CD2 3.88Å; F416-F427 HydrophobicContact CE1-CD2 3.88Å; F416-F427 HydrophobicContact CE1-CG 4.15Å; F416-F427 HydrophobicContact CG-CD2 4.08Å; F416-F427 HydrophobicContact CZ-CB 3.87Å; F416-F427 HydrophobicContact CZ-CD2 4.33Å; F416-E430 HydrophobicContact CE2-CB 3.85Å; F416-E430 HydrophobicContact CE2-CG 3.9Å
417	R	81.3	Confident	86.7	Confident	121 Å²	121	47.3 Å²	47.3	46%	0.457	24%	0.244	S	C	.	.			trans	-63.7	133.7	-176.7	-171.9	169.7	-178.3	171.5	-2.6	112.1	E74 W410 P414	E74-R417 IonicContact OE1-NH2 2.96Å; E74-R417 PolarHBondContact OE1-NH2 3.46Å; E74-R417 IonicContact OE2-CZ 3.38Å; E74-R417 IonicContact OE2-NE 2.67Å; E74-R417 IonicContact OE2-NH2 2.64Å; E74-R417 PolarHBondContact OE2-NH2 3.01Å; W410-R417 HydrophobicContact CB-CG 4.27Å; W410-R417 VanDerWaalsContact CD1-CA 3.48Å; W410-R417 HydrophobicContact CG-CG 4.41Å; P414-R417 VanDerWaalsContact O-CB 3.29Å; P414-R417 WeakPolarHBondContact O-CB 3.49Å; P414-R417 PolarHBondContact O-N 3.48Å; P414-R417 VanDerWaalsContact O-N 3.12Å
418	G	77.1	Confident	87.3	Confident	24 Å²	24	44.6 Å²	44.6	25%	0.247	23%	0.231	C	C	.	.	S	Bend	trans	87.6	-168.1	177.9	0	0	0	0	0	113.4	W410 F416	W410-G418 WeakPolarHBondContact CZ2-O 3Å; W410-G418 VanDerWaalsContact NE1-N 3.15Å; W410-G418 PolarHBondContact NE1-O 3.17Å; F416-G418 PolarHBondContact O-N 3.39Å
419	Y	77.6	Confident	87.6	Confident	79 Å²	79	46.3 Å²	46.3	31%	0.31	24%	0.243	S	C	.	.	S	Bend	trans	-102.4	26.3	-172.1	-59.4	-81.2	0	0	0	113	Y76 L278 N280 L406 W410	Y76-Y419 HydrophobicContact CD1-CE2 4.06Å; Y76-Y419 AromaticContact CE1-CE2 3.68Å; Y76-Y419 HydrophobicContact CE1-CE2 3.68Å; L278-Y419 VanDerWaalsContact O-CD1 3.23Å; L278-Y419 WeakPolarHBondContact O-CD1 3.32Å; L278-Y419 WeakPolarHBondContact O-CE1 3.44Å; N280-Y419 WeakPolarHBondContact CB-O 3.39Å; N280-Y419 PolarHBondContact ND2-O 3.04Å; L406-Y419 HydrophobicContact CD2-CE1 4.48Å; W410-Y419 HydrophobicContact CH2-CD1 4.02Å; W410-Y419 HydrophobicContact CH2-CD2 4.31Å; W410-Y419 AromaticContact CH2-CE1 3.41Å; W410-Y419 HydrophobicContact CH2-CE1 3.41Å; W410-Y419 VanDerWaalsContact CH2-CE1 3.41Å; W410-Y419 AromaticContact CH2-CE2 3.75Å; W410-Y419 HydrophobicContact CH2-CE2 3.75Å; W410-Y419 HydrophobicContact CH2-CG 4.45Å; W410-Y419 AromaticContact CH2-CZ 3.28Å; W410-Y419 WeakPolarHBondContact CH2-OH 3.5Å; W410-Y419 AromaticContact CZ2-CD1 3.84Å; W410-Y419 HydrophobicContact CZ2-CD1 3.84Å; W410-Y419 HydrophobicContact CZ2-CD2 4.41Å; W410-Y419 AromaticContact CZ2-CE1 3.69Å; W410-Y419 HydrophobicContact CZ2-CE1 3.69Å; W410-Y419 HydrophobicContact CZ2-CE2 4.29Å; W410-Y419 HydrophobicContact CZ2-CG 4.22Å; W410-Y419 AromaticContact CZ2-CZ 3.96Å
420	A	75.7	Confident	87.8	Confident	53 Å²	53	49.6 Å²	49.6	44%	0.438	26%	0.259	S	S	.	.			trans	-63.9	152.9	171.7	0	0	0	0	0	110.1
421	Q	83.3	Confident	88.3	Confident	75 Å²	75	49.2 Å²	49.2	35%	0.35	26%	0.257	S	S	.	.			trans	-74.2	136.2	166.2	-64.2	-158.4	-17	0	0	108.7	N280 G635	N280-Q421 HydrophobicContact CB-CG 4.03Å; N280-Q421 PolarHBondContact OD1-NE2 3.24Å; Q421-G635 PolarHBondContact NE2-O 2.94Å
422	Q	90.6	Very high	88.6	Confident	45 Å²	45	43 Å²	43	21%	0.21	23%	0.234	C	C	.	.			trans	-130.6	161.5	-174.5	-59.1	-70.3	11.6	0	0	110.4	Y283 A415 F416 Y637	Y283-Q422 HydrophobicContact CD1-CB 3.96Å; Y283-Q422 HydrophobicContact CD2-CB 4.08Å; Y283-Q422 HydrophobicContact CE1-CB 3.79Å; Y283-Q422 HydrophobicContact CE1-CG 3.99Å; Y283-Q422 HydrophobicContact CE2-CB 3.94Å; Y283-Q422 HydrophobicContact CE2-CG 4.47Å; Y283-Q422 HydrophobicContact CG-CB 4.11Å; A415-Q422 PolarHBondContact O-NE2 2.95Å; A415-Q422 VanDerWaalsContact O-NE2 3.16Å; F416-Q422 HydrophobicContact CD1-CB 3.75Å; F416-Q422 HydrophobicContact CD1-CG 3.68Å; F416-Q422 HydrophobicContact CE1-CB 3.68Å; F416-Q422 HydrophobicContact CE1-CG 4.07Å; Q422-Y637 WeakPolarHBondContact O-CE2 3.37Å
423	D	93.4	Very high	88.8	Confident	33 Å²	33	43.7 Å²	43.7	18%	0.176	24%	0.239	C	C	.	.			trans	-79.3	135	177.2	-168.6	-82.3	0	0	0	111.3	Q425 E426 F427 Y671	D423-Q425 WeakPolarHBondContact OD1-CA 3.37Å; D423-Q425 WeakPolarHBondContact OD1-CB 3.45Å; D423-Q425 PolarHBondContact OD1-N 3.48Å; D423-E426 HydrophobicContact CB-CB 3.96Å; D423-E426 PolarHBondContact OD1-N 3.24Å; D423-E426 VanDerWaalsContact OD1-N 3.15Å; D423-F427 WeakPolarHBondContact O-CB 3.32Å; D423-F427 PolarHBondContact O-N 3.5Å; D423-Y671 VanDerWaalsContact CG-OH 3.24Å; D423-Y671 PolarHBondContact OD1-OH 3.38Å; D423-Y671 PolarHBondContact OD2-OH 2.85Å
424	A	95.7	Very high	88.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-74.9	-30.4	-177.2	0	0	0	0	0	112.8	V287 L428 V625 Y637 Y671	V287-A424 HydrophobicContact CG2-CB 4.15Å; V287-A424 WeakPolarHBondContact CG2-O 3.32Å; A424-L428 WeakPolarHBondContact O-CB 3.17Å; A424-L428 PolarHBondContact O-N 3.21Å; A424-L428 VanDerWaalsContact O-N 3.1Å; A424-V625 HydrophobicContact CB-CG1 4.47Å; A424-Y637 HydrophobicContact CB-CD1 3.68Å; A424-Y637 HydrophobicContact CB-CE1 3.51Å; A424-Y637 HydrophobicContact CB-CE2 4.37Å; A424-Y637 HydrophobicContact CB-CG 4.2Å; A424-Y671 HydrophobicContact CB-CE1 4.34Å
425	Q	95.3	Very high	89.4	Confident	37 Å²	37	41.8 Å²	41.8	17%	0.173	22%	0.22	C	C	.	.	H	α-helix	trans	-71.5	-45.6	176	-179.6	-89.5	-15.2	0	0	109.9	D423 F427 L428 C429 D494 H573 Y671 I672	D423-Q425 WeakPolarHBondContact OD1-CA 3.37Å; D423-Q425 WeakPolarHBondContact OD1-CB 3.45Å; D423-Q425 PolarHBondContact OD1-N 3.48Å; Q425-F427 VanDerWaalsContact C-N 3.34Å; Q425-F427 PolarHBondContact O-N 3.35Å; Q425-L428 PolarHBondContact O-N 3.25Å; Q425-C429 PolarHBondContact O-N 2.95Å; Q425-C429 PolarHBondContact O-SG 2.9Å; Q425-C429 VanDerWaalsContact O-SG 3.36Å; Q425-D494 PolarHBondContact NE2-OD1 3.33Å; Q425-H573 HydrophobicContact CG-CB 4.23Å; Q425-Y671 HydrophobicContact CB-CE1 4.3Å; Q425-I672 HydrophobicContact CB-CD1 3.85Å; Q425-I672 HydrophobicContact CB-CG1 4.48Å
426	E	94.9	Very high	89.7	Confident	90 Å²	90	40.9 Å²	40.9	42%	0.421	21%	0.205	S	C	.	.	H	α-helix	trans	-59.9	-45.7	176.2	-166	-179.1	177.4	0	0	111	F416 D423 L428 C429 E430	F416-E426 HydrophobicContact CZ-CB 4.17Å; F416-E426 HydrophobicContact CZ-CG 3.96Å; D423-E426 HydrophobicContact CB-CB 3.96Å; D423-E426 PolarHBondContact OD1-N 3.24Å; D423-E426 VanDerWaalsContact OD1-N 3.15Å; E426-L428 PolarHBondContact O-N 2.79Å; E426-C429 PolarHBondContact O-N 3.26Å; E426-E430 WeakPolarHBondContact O-CB 3.42Å; E426-E430 WeakPolarHBondContact O-CG 3.46Å; E426-E430 PolarHBondContact O-N 3.01Å
427	F	96.6	Very high	89.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59	-44.5	176.7	177.2	-111.5	0	0	0	112.8	Y283 M284 V287 V409 F416 D423 Q425 C429 L431	Y283-F427 HydrophobicContact CD2-CB 3.62Å; Y283-F427 AromaticContact CD2-CD1 4Å; Y283-F427 HydrophobicContact CD2-CD1 4Å; Y283-F427 HydrophobicContact CD2-CD2 4.23Å; Y283-F427 AromaticContact CD2-CG 3.66Å; Y283-F427 HydrophobicContact CD2-CG 3.66Å; Y283-F427 HydrophobicContact CE2-CB 3.82Å; Y283-F427 HydrophobicContact CE2-CD1 4.12Å; Y283-F427 AromaticContact CE2-CD2 3.63Å; Y283-F427 HydrophobicContact CE2-CD2 3.63Å; Y283-F427 HydrophobicContact CE2-CE2 4.26Å; Y283-F427 AromaticContact CE2-CG 3.55Å; Y283-F427 HydrophobicContact CE2-CG 3.55Å; M284-F427 HydrophobicContact CB-CD1 4.31Å; M284-F427 HydrophobicContact CB-CE1 3.83Å; M284-F427 HydrophobicContact CB-CZ 4.01Å; M284-F427 HydrophobicContact CG-CE1 3.62Å; M284-F427 HydrophobicContact CG-CE2 4.43Å; M284-F427 HydrophobicContact CG-CZ 3.54Å; M284-F427 HydrophobicContact SD-CZ 4.28Å; V287-F427 HydrophobicContact CB-CD1 3.93Å; V287-F427 HydrophobicContact CB-CE1 4.12Å; V287-F427 HydrophobicContact CG1-CD1 4Å; V287-F427 HydrophobicContact CG1-CE1 4.04Å; V287-F427 HydrophobicContact CG2-CD1 4.07Å; V409-F427 HydrophobicContact CG1-CE2 3.81Å; V409-F427 HydrophobicContact CG2-CE2 4.05Å; V409-F427 HydrophobicContact CG2-CZ 4.18Å; F416-F427 HydrophobicContact CD1-CB 4.16Å; F416-F427 AromaticContact CD1-CD2 3.74Å; F416-F427 HydrophobicContact CD1-CD2 3.74Å; F416-F427 HydrophobicContact CD1-CG 4.37Å; F416-F427 HydrophobicContact CD2-CD2 4.47Å; F416-F427 HydrophobicContact CE1-CB 3.47Å; F416-F427 VanDerWaalsContact CE1-CB 3.47Å; F416-F427 AromaticContact CE1-CD2 3.88Å; F416-F427 HydrophobicContact CE1-CD2 3.88Å; F416-F427 HydrophobicContact CE1-CG 4.15Å; F416-F427 HydrophobicContact CG-CD2 4.08Å; F416-F427 HydrophobicContact CZ-CB 3.87Å; F416-F427 HydrophobicContact CZ-CD2 4.33Å; D423-F427 WeakPolarHBondContact O-CB 3.32Å; D423-F427 PolarHBondContact O-N 3.5Å; Q425-F427 VanDerWaalsContact C-N 3.34Å; Q425-F427 PolarHBondContact O-N 3.35Å; F427-C429 VanDerWaalsContact C-N 3.34Å; F427-C429 PolarHBondContact O-N 2.92Å; F427-L431 HydrophobicContact CE1-CD2 3.89Å; F427-L431 HydrophobicContact CE2-CB 4.43Å; F427-L431 HydrophobicContact CZ-CB 4.3Å; F427-L431 HydrophobicContact CZ-CD1 4.44Å; F427-L431 HydrophobicContact CZ-CD2 3.91Å; F427-L431 HydrophobicContact CZ-CG 4.44Å; F427-L431 WeakPolarHBondContact O-CB 3.45Å; F427-L431 PolarHBondContact O-N 3.38Å
428	L	96.4	Very high	90.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-42.9	179.4	172	59	0	0	0	111.5	V287 L291 A424 Q425 E426 L432 R571 F674	V287-L428 HydrophobicContact CG1-CB 3.95Å; V287-L428 HydrophobicContact CG1-CD1 3.73Å; V287-L428 HydrophobicContact CG1-CG 4.34Å; V287-L428 HydrophobicContact CG2-CB 4.16Å; L291-L428 HydrophobicContact CD1-CD1 4.04Å; L291-L428 HydrophobicContact CD2-CD1 3.95Å; L291-L428 HydrophobicContact CG-CD1 4.21Å; A424-L428 WeakPolarHBondContact O-CB 3.17Å; A424-L428 PolarHBondContact O-N 3.21Å; A424-L428 VanDerWaalsContact O-N 3.1Å; Q425-L428 PolarHBondContact O-N 3.25Å; E426-L428 PolarHBondContact O-N 2.79Å; L428-L432 HydrophobicContact CD1-CD1 3.7Å; L428-L432 HydrophobicContact CD1-CG 3.98Å; L428-L432 HydrophobicContact CG-CD1 4.2Å; L428-L432 WeakPolarHBondContact O-CB 3.47Å; L428-L432 VanDerWaalsContact O-CG 3.3Å; L428-L432 WeakPolarHBondContact O-CG 3.45Å; L428-L432 PolarHBondContact O-N 3.36Å; L428-L432 VanDerWaalsContact O-N 3.11Å; L428-R571 VanDerWaalsContact CD2-CZ 3.47Å; L428-F674 HydrophobicContact CD2-CE1 3.96Å; L428-F674 HydrophobicContact CD2-CZ 3.6Å
429	C	94.1	Very high	90.4	Very high	38 Å²	38	40.6 Å²	40.6	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-63.5	-50.1	178.2	-67.6	0	0	0	0	111.5	Q425 E426 F427 L431 L432 D433 R571	Q425-C429 PolarHBondContact O-N 2.95Å; Q425-C429 PolarHBondContact O-SG 2.9Å; Q425-C429 VanDerWaalsContact O-SG 3.36Å; E426-C429 PolarHBondContact O-N 3.26Å; F427-C429 VanDerWaalsContact C-N 3.34Å; F427-C429 PolarHBondContact O-N 2.92Å; C429-L431 PolarHBondContact O-N 2.89Å; C429-L432 PolarHBondContact O-N 3.32Å; C429-D433 PolarHBondContact O-N 3.46Å; C429-R571 PolarHBondContact SG-NH2 3.11Å
430	E	95	Very high	90.7	Very high	69 Å²	69	40.1 Å²	40.1	32%	0.322	20%	0.203	S	C	.	.	H	α-helix	trans	-66.3	-36.3	-179.3	-72.1	-73	152	0	0	112.5	I413 F416 E426 K434	I413-E430 HydrophobicContact CG2-CB 4.08Å; F416-E430 HydrophobicContact CE2-CB 3.85Å; F416-E430 HydrophobicContact CE2-CG 3.9Å; E426-E430 WeakPolarHBondContact O-CB 3.42Å; E426-E430 WeakPolarHBondContact O-CG 3.46Å; E426-E430 PolarHBondContact O-N 3.01Å; E430-K434 WeakPolarHBondContact O-CB 3.43Å; E430-K434 WeakPolarHBondContact O-CG 3.29Å; E430-K434 PolarHBondContact O-N 3.36Å; E430-K434 VanDerWaalsContact O-N 3.08Å
431	L	95.2	Very high	90.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-47.5	174.3	178.4	64.1	0	0	0	111.2	V287 L288 L291 L381 F427 C429 K434 I435	V287-L431 HydrophobicContact CG1-CD2 4.49Å; L288-L431 HydrophobicContact CD2-CD2 4.36Å; L291-L431 HydrophobicContact CD1-CD2 3.97Å; L381-L431 HydrophobicContact CD1-CD1 4.2Å; L381-L431 HydrophobicContact CD2-CD1 4.38Å; F427-L431 HydrophobicContact CE1-CD2 3.89Å; F427-L431 HydrophobicContact CE2-CB 4.43Å; F427-L431 HydrophobicContact CZ-CB 4.3Å; F427-L431 HydrophobicContact CZ-CD1 4.44Å; F427-L431 HydrophobicContact CZ-CD2 3.91Å; F427-L431 HydrophobicContact CZ-CG 4.44Å; F427-L431 WeakPolarHBondContact O-CB 3.45Å; F427-L431 PolarHBondContact O-N 3.38Å; C429-L431 PolarHBondContact O-N 2.89Å; L431-K434 PolarHBondContact O-N 3.49Å; L431-I435 HydrophobicContact CD1-CD1 3.91Å; L431-I435 HydrophobicContact CD1-CG1 4.43Å; L431-I435 HydrophobicContact CG-CD1 3.77Å; L431-I435 WeakPolarHBondContact O-CB 3.4Å; L431-I435 VanDerWaalsContact O-CD1 3.28Å; L431-I435 WeakPolarHBondContact O-CD1 3.3Å; L431-I435 WeakPolarHBondContact O-CG1 3.36Å; L431-I435 PolarHBondContact O-N 3.35Å
432	L	92.9	Very high	90.3	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	19%	0.187	C	C	.	.	H	α-helix	trans	-67.5	-41.4	-179.4	-70.8	174.3	0	0	0	112.3	F297 L428 C429 K434 I435 Q436 F469	F297-L432 HydrophobicContact CE2-CD2 3.83Å; F297-L432 HydrophobicContact CZ-CD2 4.03Å; L428-L432 HydrophobicContact CD1-CD1 3.7Å; L428-L432 HydrophobicContact CD1-CG 3.98Å; L428-L432 HydrophobicContact CG-CD1 4.2Å; L428-L432 WeakPolarHBondContact O-CB 3.47Å; L428-L432 VanDerWaalsContact O-CG 3.3Å; L428-L432 WeakPolarHBondContact O-CG 3.45Å; L428-L432 PolarHBondContact O-N 3.36Å; L428-L432 VanDerWaalsContact O-N 3.11Å; C429-L432 PolarHBondContact O-N 3.32Å; L432-K434 VanDerWaalsContact C-N 3.33Å; L432-K434 PolarHBondContact O-N 3.24Å; L432-I435 PolarHBondContact O-N 3.49Å; L432-Q436 WeakPolarHBondContact O-CB 3.18Å; L432-Q436 PolarHBondContact O-N 3.17Å; L432-F469 HydrophobicContact CD1-CD2 3.75Å; L432-F469 HydrophobicContact CD1-CE2 3.7Å; L432-F469 HydrophobicContact CD2-CE2 4.26Å
433	D	91.4	Very high	89	Confident	75 Å²	75	36.7 Å²	36.7	40%	0.401	19%	0.19	S	C	.	.	H	α-helix	trans	-55.9	-48.3	173.9	174.8	72.1	0	0	0	111.2	C429 I435 Q436 H437	C429-D433 PolarHBondContact O-N 3.46Å; D433-I435 PolarHBondContact O-N 2.89Å; D433-Q436 WeakPolarHBondContact O-CB 3.47Å; D433-Q436 PolarHBondContact O-N 3.49Å; D433-H437 WeakPolarHBondContact O-CB 3.13Å; D433-H437 PolarHBondContact O-N 3.19Å
434	K	91.2	Very high	87.6	Confident	60 Å²	60	40.3 Å²	40.3	26%	0.261	21%	0.214	S	C	.	.	H	α-helix	trans	-68.7	-36.8	-178.2	-67.7	-77.6	167.7	-91.6	0	112.5	L381 I413 E430 L431 L432 H437 E438	L381-K434 HydrophobicContact CD1-CB 3.72Å; I413-K434 HydrophobicContact CD1-CB 4.3Å; I413-K434 HydrophobicContact CD1-CG 4.06Å; I413-K434 HydrophobicContact CG1-CB 4.5Å; I413-K434 HydrophobicContact CG1-CG 4.01Å; E430-K434 WeakPolarHBondContact O-CB 3.43Å; E430-K434 WeakPolarHBondContact O-CG 3.29Å; E430-K434 PolarHBondContact O-N 3.36Å; E430-K434 VanDerWaalsContact O-N 3.08Å; L431-K434 PolarHBondContact O-N 3.49Å; L432-K434 VanDerWaalsContact C-N 3.33Å; L432-K434 PolarHBondContact O-N 3.24Å; K434-H437 PolarHBondContact O-N 3.31Å; K434-E438 VanDerWaalsContact O-CB 3.31Å; K434-E438 WeakPolarHBondContact O-CB 3.45Å; K434-E438 PolarHBondContact O-N 3.34Å
435	I	90.5	Very high	85.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-46.2	172.4	-72.9	161.9	0	0	0	110.7	F301 L381 L385 L431 L432 D433 E438 L439 V465	F301-I435 HydrophobicContact CZ-CG2 3.82Å; L381-I435 HydrophobicContact CB-CG1 4.08Å; L385-I435 HydrophobicContact CD1-CD1 3.26Å; L385-I435 HydrophobicContact CD1-CG1 4.16Å; L431-I435 HydrophobicContact CD1-CD1 3.91Å; L431-I435 HydrophobicContact CD1-CG1 4.43Å; L431-I435 HydrophobicContact CG-CD1 3.77Å; L431-I435 WeakPolarHBondContact O-CB 3.4Å; L431-I435 VanDerWaalsContact O-CD1 3.28Å; L431-I435 WeakPolarHBondContact O-CD1 3.3Å; L431-I435 WeakPolarHBondContact O-CG1 3.36Å; L431-I435 PolarHBondContact O-N 3.35Å; L432-I435 PolarHBondContact O-N 3.49Å; D433-I435 PolarHBondContact O-N 2.89Å; I435-E438 PolarHBondContact O-N 3.24Å; I435-L439 HydrophobicContact CG2-CD1 3.9Å; I435-L439 VanDerWaalsContact O-CG 3.29Å; I435-L439 WeakPolarHBondContact O-CG 3.5Å; I435-L439 PolarHBondContact O-N 2.96Å; I435-V465 HydrophobicContact CG2-CG1 4.32Å; I435-V465 HydrophobicContact CG2-CG2 4.17Å
436	Q	89.4	Confident	83.7	Confident	44 Å²	44	44.8 Å²	44.8	21%	0.206	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-50.8	177.2	174.6	176.6	-9.5	0	0	110.5	L432 D433 E438 L439 E440 L462 V465 N466	L432-Q436 WeakPolarHBondContact O-CB 3.18Å; L432-Q436 PolarHBondContact O-N 3.17Å; D433-Q436 WeakPolarHBondContact O-CB 3.47Å; D433-Q436 PolarHBondContact O-N 3.49Å; Q436-E438 VanDerWaalsContact C-N 3.34Å; Q436-E438 PolarHBondContact O-N 2.94Å; Q436-L439 PolarHBondContact O-N 3.5Å; Q436-L439 VanDerWaalsContact O-N 3.15Å; Q436-E440 HydrophobicContact CG-CG 4.39Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.18Å; Q436-E440 PolarHBondContact NE2-OE1 2.99Å; Q436-E440 WeakPolarHBondContact O-CG 3.19Å; Q436-E440 PolarHBondContact O-N 2.97Å; Q436-L462 HydrophobicContact CG-CD1 3.97Å; Q436-V465 HydrophobicContact CB-CG1 4.3Å; Q436-N466 VanDerWaalsContact CG-OD1 3.26Å; Q436-N466 WeakPolarHBondContact CG-OD1 3.33Å; Q436-N466 PolarHBondContact NE2-OD1 3.43Å; Q436-N466 PolarHBondContact OE1-OD1 3.14Å
437	H	88.1	Confident	81.6	Confident	105 Å²	105	44.7 Å²	44.7	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-41.4	178.9	-172.6	69	0	0	0	112.8	D433 K434 L439 E440 T441	D433-H437 WeakPolarHBondContact O-CB 3.13Å; D433-H437 PolarHBondContact O-N 3.19Å; K434-H437 PolarHBondContact O-N 3.31Å; H437-L439 VanDerWaalsContact C-N 3.33Å; H437-L439 PolarHBondContact O-N 3.16Å; H437-E440 PolarHBondContact O-N 3.1Å; H437-T441 WeakPolarHBondContact O-CB 3.41Å; H437-T441 WeakPolarHBondContact O-CG2 3.39Å; H437-T441 PolarHBondContact O-N 2.89Å; H437-T441 PolarHBondContact O-OG1 3Å
438	E	87.3	Confident	79.4	Confident	28 Å²	28	49.2 Å²	49.2	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-39.4	176.1	-168.6	-175.6	126.4	0	0	111.8	S380 L381 C382 K434 I435 Q436 T441 T442	S380-E438 WeakPolarHBondContact CA-OE1 3.41Å; S380-E438 VanDerWaalsContact CB-OE1 3.22Å; S380-E438 WeakPolarHBondContact CB-OE1 3.5Å; S380-E438 PolarHBondContact OG-OE1 2.84Å; L381-E438 PolarHBondContact N-OE1 3.5Å; L381-E438 PolarHBondContact N-OE2 2.89Å; C382-E438 WeakPolarHBondContact CB-OE1 3.27Å; C382-E438 PolarHBondContact N-OE1 3.19Å; C382-E438 PolarHBondContact SG-OE1 3.37Å; K434-E438 VanDerWaalsContact O-CB 3.31Å; K434-E438 WeakPolarHBondContact O-CB 3.45Å; K434-E438 PolarHBondContact O-N 3.34Å; I435-E438 PolarHBondContact O-N 3.24Å; Q436-E438 VanDerWaalsContact C-N 3.34Å; Q436-E438 PolarHBondContact O-N 2.94Å; E438-T441 WeakPolarHBondContact CA-OG1 3.37Å; E438-T441 PolarHBondContact O-OG1 3.49Å; E438-T442 VanDerWaalsContact O-CB 3.28Å; E438-T442 WeakPolarHBondContact O-CB 3.31Å; E438-T442 PolarHBondContact O-N 3.3Å; E438-T442 VanDerWaalsContact O-N 3.14Å; E438-T442 PolarHBondContact O-OG1 2.75Å
439	L	84.1	Confident	77.4	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-72	-39	177.1	-69.4	168.2	0	0	0	112.5	I435 Q436 H437 G443 I458 V461 L462 V465	I435-L439 HydrophobicContact CG2-CD1 3.9Å; I435-L439 VanDerWaalsContact O-CG 3.29Å; I435-L439 WeakPolarHBondContact O-CG 3.5Å; I435-L439 PolarHBondContact O-N 2.96Å; Q436-L439 PolarHBondContact O-N 3.5Å; Q436-L439 VanDerWaalsContact O-N 3.15Å; H437-L439 VanDerWaalsContact C-N 3.33Å; H437-L439 PolarHBondContact O-N 3.16Å; L439-G443 PolarHBondContact O-N 3.44Å; L439-I458 HydrophobicContact CD2-CG2 4.15Å; L439-V461 HydrophobicContact CD1-CB 4.49Å; L439-V461 HydrophobicContact CD1-CG1 3.78Å; L439-V461 HydrophobicContact CD2-CG1 4.33Å; L439-L462 HydrophobicContact CB-CB 4.23Å; L439-L462 HydrophobicContact CB-CD1 3.98Å; L439-L462 HydrophobicContact CD1-CB 4.49Å; L439-V465 HydrophobicContact CD1-CG2 4.21Å
440	E	84.7	Confident	75.6	Confident	69 Å²	69	52.9 Å²	52.9	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-47.4	177.6	-74.7	172.9	177.2	0	0	112.2	Q436 H437 T442 G443 T444 L462	Q436-E440 HydrophobicContact CG-CG 4.39Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.18Å; Q436-E440 PolarHBondContact NE2-OE1 2.99Å; Q436-E440 WeakPolarHBondContact O-CG 3.19Å; Q436-E440 PolarHBondContact O-N 2.97Å; H437-E440 PolarHBondContact O-N 3.1Å; E440-T442 VanDerWaalsContact C-N 3.33Å; E440-T442 PolarHBondContact O-N 3.04Å; E440-G443 PolarHBondContact O-N 3.06Å; E440-T444 WeakPolarHBondContact O-CB 3.22Å; E440-T444 PolarHBondContact O-N 3.14Å; E440-T444 PolarHBondContact O-OG1 3.12Å; E440-L462 HydrophobicContact CG-CD1 3.74Å; E440-L462 HydrophobicContact CG-CD2 3.81Å; E440-L462 HydrophobicContact CG-CG 4.44Å
441	T	79.2	Confident	74.2	Confident	53 Å²	53	52 Å²	52	33%	0.325	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-43.1	176.4	49.5	0	0	0	0	111	H437 E438 G443 T444 S445	H437-T441 WeakPolarHBondContact O-CB 3.41Å; H437-T441 WeakPolarHBondContact O-CG2 3.39Å; H437-T441 PolarHBondContact O-N 2.89Å; H437-T441 PolarHBondContact O-OG1 3Å; E438-T441 WeakPolarHBondContact CA-OG1 3.37Å; E438-T441 PolarHBondContact O-OG1 3.49Å; T441-G443 VanDerWaalsContact C-N 3.33Å; T441-G443 PolarHBondContact O-N 2.87Å; T441-T444 PolarHBondContact O-N 3.24Å; T441-S445 WeakPolarHBondContact O-CB 3.41Å; T441-S445 PolarHBondContact O-N 3.46Å; T441-S445 PolarHBondContact O-OG 3.22Å
442	T	69.4	Low	72.8	Confident	21 Å²	21	57 Å²	57	13%	0.129	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-37.3	176.1	-58	0	0	0	0	112.5	W309 E438 E440 T444 I450 I458	W309-T442 HydrophobicContact CZ2-CG2 3.98Å; W309-T442 VanDerWaalsContact NE1-CG2 3.27Å; E438-T442 VanDerWaalsContact O-CB 3.28Å; E438-T442 WeakPolarHBondContact O-CB 3.31Å; E438-T442 PolarHBondContact O-N 3.3Å; E438-T442 VanDerWaalsContact O-N 3.14Å; E438-T442 PolarHBondContact O-OG1 2.75Å; E440-T442 VanDerWaalsContact C-N 3.33Å; E440-T442 PolarHBondContact O-N 3.04Å; T442-T444 VanDerWaalsContact C-N 3.34Å; T442-I450 HydrophobicContact CG2-CD1 4.32Å; T442-I458 HydrophobicContact CG2-CD1 3.9Å
443	G	63.7	Low	71.4	Confident	27 Å²	27	60.1 Å²	60.1	28%	0.278	36%	0.361	S	S	.	.	H	α-helix	trans	-69.4	-28.4	177.2	0	0	0	0	0	114.3	L439 E440 T441	L439-G443 PolarHBondContact O-N 3.44Å; E440-G443 PolarHBondContact O-N 3.06Å; T441-G443 VanDerWaalsContact C-N 3.33Å; T441-G443 PolarHBondContact O-N 2.87Å
444	T	64.4	Low	70.3	Confident	109 Å²	109	57.2 Å²	57.2	67%	0.669	35%	0.345	S	S	*	.	H	α-helix	trans	-103.5	-38.2	-168.9	-48.2	0	0	0	0	113.3	E440 T441 T442	E440-T444 WeakPolarHBondContact O-CB 3.22Å; E440-T444 PolarHBondContact O-N 3.14Å; E440-T444 PolarHBondContact O-OG1 3.12Å; T441-T444 PolarHBondContact O-N 3.24Å; T442-T444 VanDerWaalsContact C-N 3.34Å
445	S	55.6	Low	69.3	Low	88 Å²	88	57.2 Å²	57.2	62%	0.615	34%	0.343	S	S	*	.	H	α-helix	trans	-82.1	-17.7	-168.4	-68.5	0	0	0	0	116	T441	T441-S445 WeakPolarHBondContact O-CB 3.41Å; T441-S445 PolarHBondContact O-N 3.46Å; T441-S445 PolarHBondContact O-OG 3.22Å
446	L	52.9	Low	68.4	Low	44 Å²	44	64.2 Å²	64.2	23%	0.23	37%	0.373	C	S	.	.			trans	-139.8	73.1	-177.8	-72.6	164.7	0	0	0	113.9	A448	L446-A448 PolarHBondContact O-N 3.33Å
447	P	51.7	Low	67.7	Low	87 Å²	87	63.7 Å²	63.7	57%	0.565	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.6	177.5	-18.2	32.3	0	0	0	114.8	R455	P447-R455 VanDerWaalsContact CA-NH2 3.31Å; P447-R455 PolarHBondContact O-NH1 3.18Å; P447-R455 PolarHBondContact O-NH2 3.03Å
448	A	50.1	Low	67.1	Low	95 Å²	95	59 Å²	59	79%	0.785	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-16.4	-167.3	0	0	0	0	0	115.8	L446	L446-A448 PolarHBondContact O-N 3.33Å
449	L	53.5	Low	66.7	Low	98 Å²	98	64 Å²	64	51%	0.513	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-4.3	-172.4	-89.1	125	0	0	0	115.4	V312	V312-L449 HydrophobicContact CG1-CB 3.77Å; V312-L449 HydrophobicContact CG1-CD2 3.82Å; V312-L449 HydrophobicContact CG1-CG 4.34Å
450	I	58.1	Low	66.4	Low	19 Å²	19	67.6 Å²	67.6	10%	0.097	39%	0.388	C	S	.	.	S	Bend	trans	-102.4	128.8	-177.8	-58.7	175.4	0	0	0	109.6	T442 Q454 R455	T442-I450 HydrophobicContact CG2-CD1 4.32Å; I450-Q454 HydrophobicContact CG2-CB 3.78Å; I450-Q454 HydrophobicContact CG2-CG 4.11Å; I450-R455 PolarHBondContact O-NH2 3Å
451	P	64.8	Low	66.3	Low	51 Å²	51	64.4 Å²	64.4	33%	0.331	37%	0.373	S	S	.	.			trans	-53	142.2	172.4	-25.8	34.4	0	0	0	112.3	S453 Q454 R455	P451-S453 PolarHBondContact O-N 3.48Å; P451-S453 VanDerWaalsContact O-N 3.14Å; P451-Q454 PolarHBondContact O-N 3.1Å; P451-R455 PolarHBondContact O-N 3.02Å; P451-R455 VanDerWaalsContact O-N 3.12Å
452	T	65.6	Low	66.5	Low	104 Å²	104	63.3 Å²	63.3	64%	0.638	37%	0.366	S	S	*	.	H	α-helix	trans	-57.8	-31	-177.6	47.3	0	0	0	0	113.3	K456	T452-K456 WeakPolarHBondContact O-CG 3.49Å; T452-K456 PolarHBondContact O-N 3.28Å
453	S	64.6	Low	67.2	Low	80 Å²	80	66.3 Å²	66.3	56%	0.559	38%	0.381	S	S	*	.	H	α-helix	trans	-64	-43.5	173.7	51.1	0	0	0	0	112.8	P451 K456 L457	P451-S453 PolarHBondContact O-N 3.48Å; P451-S453 VanDerWaalsContact O-N 3.14Å; S453-K456 PolarHBondContact O-N 3.33Å; S453-L457 PolarHBondContact O-N 2.89Å; S453-L457 VanDerWaalsContact O-N 3.08Å
454	Q	67.3	Low	68.3	Low	14 Å²	14	65.9 Å²	65.9	7%	0.065	37%	0.372	C	S	.	.	H	α-helix	trans	-73.7	-34.9	-178.8	-166.4	176.9	23.6	0	0	111.7	D305 I450 P451 K456 L457 I458	D305-Q454 PolarHBondContact O-NE2 3.13Å; D305-Q454 VanDerWaalsContact O-NE2 3.13Å; I450-Q454 HydrophobicContact CG2-CB 3.78Å; I450-Q454 HydrophobicContact CG2-CG 4.11Å; P451-Q454 PolarHBondContact O-N 3.1Å; Q454-K456 VanDerWaalsContact C-N 3.34Å; Q454-K456 PolarHBondContact O-N 3.47Å; Q454-L457 PolarHBondContact O-N 3.36Å; Q454-I458 HydrophobicContact CG-CD1 4.25Å; Q454-I458 WeakPolarHBondContact O-CG1 3.48Å; Q454-I458 PolarHBondContact O-N 2.98Å
455	R	70.2	Confident	69.2	Low	60 Å²	60	60.9 Å²	60.9	23%	0.226	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-40.9	171.2	-174.6	178	-63.9	132.9	19.4	112.1	P447 I450 P451 L457 K459	P447-R455 VanDerWaalsContact CA-NH2 3.31Å; P447-R455 PolarHBondContact O-NH1 3.18Å; P447-R455 PolarHBondContact O-NH2 3.03Å; I450-R455 PolarHBondContact O-NH2 3Å; P451-R455 PolarHBondContact O-N 3.02Å; P451-R455 VanDerWaalsContact O-N 3.12Å; R455-L457 VanDerWaalsContact C-N 3.31Å; R455-K459 WeakPolarHBondContact O-CB 3.44Å; R455-K459 WeakPolarHBondContact O-CG 3.26Å; R455-K459 PolarHBondContact O-N 3.26Å
456	K	71.4	Confident	70.6	Confident	146 Å²	146	58.6 Å²	58.6	64%	0.635	32%	0.323	S	S	*	.	H	α-helix	trans	-61.5	-42.6	174.3	-76.1	178.8	-179.7	-175.6	0	110.9	T452 S453 Q454 K459 Q460	T452-K456 WeakPolarHBondContact O-CG 3.49Å; T452-K456 PolarHBondContact O-N 3.28Å; S453-K456 PolarHBondContact O-N 3.33Å; Q454-K456 VanDerWaalsContact C-N 3.34Å; Q454-K456 PolarHBondContact O-N 3.47Å; K456-K459 PolarHBondContact O-N 3.37Å; K456-Q460 VanDerWaalsContact O-CG 3.22Å; K456-Q460 WeakPolarHBondContact O-CG 3.41Å; K456-Q460 PolarHBondContact O-N 3.39Å
457	L	74.2	Confident	72.2	Confident	34 Å²	34	60 Å²	60	18%	0.178	33%	0.331	C	S	.	.	H	α-helix	trans	-66.8	-43.4	178.7	-173.6	63.5	0	0	0	112.9	K303 L304 S453 Q454 R455 K459 Q460 V461	K303-L457 HydrophobicContact CB-CD1 4.26Å; K303-L457 VanDerWaalsContact O-CD2 3.32Å; K303-L457 WeakPolarHBondContact O-CD2 3.43Å; L304-L457 HydrophobicContact CD1-CG 4.39Å; S453-L457 PolarHBondContact O-N 2.89Å; S453-L457 VanDerWaalsContact O-N 3.08Å; Q454-L457 PolarHBondContact O-N 3.36Å; R455-L457 VanDerWaalsContact C-N 3.31Å; L457-K459 VanDerWaalsContact C-N 3.32Å; L457-K459 PolarHBondContact O-N 2.9Å; L457-Q460 WeakPolarHBondContact O-CB 3.42Å; L457-Q460 PolarHBondContact O-N 2.98Å; L457-Q460 VanDerWaalsContact O-N 3.13Å; L457-V461 HydrophobicContact CD1-CG2 4.46Å; L457-V461 HydrophobicContact CG-CG2 4.47Å; L457-V461 WeakPolarHBondContact O-CG2 3.04Å; L457-V461 PolarHBondContact O-N 3.38Å
458	I	77.1	Confident	74.1	Confident	6 Å²	6	56 Å²	56	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-44.2	174.9	-69.5	161.9	0	0	0	110.4	L439 T442 Q454 Q460 V461 L462	L439-I458 HydrophobicContact CD2-CG2 4.15Å; T442-I458 HydrophobicContact CG2-CD1 3.9Å; Q454-I458 HydrophobicContact CG-CD1 4.25Å; Q454-I458 WeakPolarHBondContact O-CG1 3.48Å; Q454-I458 PolarHBondContact O-N 2.98Å; I458-Q460 VanDerWaalsContact C-N 3.33Å; I458-Q460 PolarHBondContact O-N 2.73Å; I458-V461 PolarHBondContact O-N 2.74Å; I458-L462 VanDerWaalsContact O-CB 3.32Å; I458-L462 WeakPolarHBondContact O-CB 3.49Å; I458-L462 PolarHBondContact O-N 3.3Å
459	K	78.6	Confident	76.2	Confident	132 Å²	132	51.6 Å²	51.6	57%	0.574	27%	0.267	S	S	*	.	H	α-helix	trans	-61.5	-40	173.9	-74.4	-176.1	176.7	-167.2	0	112.3	R455 K456 L457 N463	R455-K459 WeakPolarHBondContact O-CB 3.44Å; R455-K459 WeakPolarHBondContact O-CG 3.26Å; R455-K459 PolarHBondContact O-N 3.26Å; K456-K459 PolarHBondContact O-N 3.37Å; L457-K459 VanDerWaalsContact C-N 3.32Å; L457-K459 PolarHBondContact O-N 2.9Å; K459-N463 VanDerWaalsContact O-CB 3.25Å; K459-N463 WeakPolarHBondContact O-CB 3.46Å; K459-N463 PolarHBondContact O-N 2.96Å
460	Q	77.8	Confident	78.1	Confident	83 Å²	83	48.6 Å²	48.6	39%	0.388	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-44.3	174.9	-74.9	166.6	-8.2	0	0	111.4	K456 L457 I458 N463 V464	K456-Q460 VanDerWaalsContact O-CG 3.22Å; K456-Q460 WeakPolarHBondContact O-CG 3.41Å; K456-Q460 PolarHBondContact O-N 3.39Å; L457-Q460 WeakPolarHBondContact O-CB 3.42Å; L457-Q460 PolarHBondContact O-N 2.98Å; L457-Q460 VanDerWaalsContact O-N 3.13Å; I458-Q460 VanDerWaalsContact C-N 3.33Å; I458-Q460 PolarHBondContact O-N 2.73Å; Q460-N463 WeakPolarHBondContact O-CB 3.49Å; Q460-N463 PolarHBondContact O-N 3.39Å; Q460-V464 WeakPolarHBondContact O-CG2 3.44Å; Q460-V464 PolarHBondContact O-N 3.29Å
461	V	81.7	Confident	79.8	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-44.1	-179.7	178	0	0	0	0	111.6	C300 F301 L304 L439 L457 I458 N463 V464 V465	C300-V461 WeakPolarHBondContact SG-CA 3.19Å; C300-V461 VanDerWaalsContact SG-CB 3.53Å; C300-V461 VanDerWaalsContact SG-CG1 3.58Å; C300-V461 WeakPolarHBondContact SG-CG2 3.47Å; F301-V461 HydrophobicContact CE2-CG1 4.22Å; F301-V461 HydrophobicContact CZ-CG1 4.13Å; L304-V461 HydrophobicContact CB-CG2 4.41Å; L304-V461 HydrophobicContact CD1-CB 4.02Å; L304-V461 HydrophobicContact CD1-CG1 4.26Å; L304-V461 HydrophobicContact CD1-CG2 3.39Å; L304-V461 HydrophobicContact CG-CG2 4.43Å; L439-V461 HydrophobicContact CD1-CB 4.49Å; L439-V461 HydrophobicContact CD1-CG1 3.78Å; L439-V461 HydrophobicContact CD2-CG1 4.33Å; L457-V461 HydrophobicContact CD1-CG2 4.46Å; L457-V461 HydrophobicContact CG-CG2 4.47Å; L457-V461 WeakPolarHBondContact O-CG2 3.04Å; L457-V461 PolarHBondContact O-N 3.38Å; I458-V461 PolarHBondContact O-N 2.74Å; V461-N463 VanDerWaalsContact C-N 3.29Å; V461-N463 PolarHBondContact O-N 3.15Å; V461-V464 PolarHBondContact O-N 3.28Å; V461-V465 HydrophobicContact CG1-CG2 4.32Å; V461-V465 WeakPolarHBondContact O-CG2 3.37Å; V461-V465 PolarHBondContact O-N 2.62Å
462	L	84.4	Confident	81.2	Confident	31 Å²	31	48.5 Å²	48.5	16%	0.162	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-44.3	172.6	-179.7	60.7	0	0	0	111.1	Q436 L439 E440 I458 V464 V465 N466	Q436-L462 HydrophobicContact CG-CD1 3.97Å; L439-L462 HydrophobicContact CB-CB 4.23Å; L439-L462 HydrophobicContact CB-CD1 3.98Å; L439-L462 HydrophobicContact CD1-CB 4.49Å; E440-L462 HydrophobicContact CG-CD1 3.74Å; E440-L462 HydrophobicContact CG-CD2 3.81Å; E440-L462 HydrophobicContact CG-CG 4.44Å; I458-L462 VanDerWaalsContact O-CB 3.32Å; I458-L462 WeakPolarHBondContact O-CB 3.49Å; I458-L462 PolarHBondContact O-N 3.3Å; L462-V464 VanDerWaalsContact C-N 3.34Å; L462-V464 PolarHBondContact O-N 3.32Å; L462-V465 PolarHBondContact O-N 3.38Å; L462-N466 VanDerWaalsContact O-CB 3.27Å; L462-N466 WeakPolarHBondContact O-CB 3.45Å; L462-N466 PolarHBondContact O-N 2.88Å; L462-N466 PolarHBondContact O-OD1 2.93Å
463	N	84.3	Confident	82.7	Confident	84 Å²	84	44.1 Å²	44.1	45%	0.449	22%	0.218	S	C	.	.	H	α-helix	trans	-62.2	-40.4	177	-171.7	70.5	0	0	0	112.4	K459 Q460 V461 N467	K459-N463 VanDerWaalsContact O-CB 3.25Å; K459-N463 WeakPolarHBondContact O-CB 3.46Å; K459-N463 PolarHBondContact O-N 2.96Å; Q460-N463 WeakPolarHBondContact O-CB 3.49Å; Q460-N463 PolarHBondContact O-N 3.39Å; V461-N463 VanDerWaalsContact C-N 3.29Å; V461-N463 PolarHBondContact O-N 3.15Å; N463-N467 VanDerWaalsContact O-CB 3.23Å; N463-N467 WeakPolarHBondContact O-CB 3.46Å; N463-N467 PolarHBondContact O-N 3.37Å; N463-N467 PolarHBondContact O-ND2 3.37Å; N463-N467 PolarHBondContact OD1-ND2 3Å
464	V	85.3	Confident	84.2	Confident	17 Å²	17	41 Å²	41	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-49.7	175.1	170.9	0	0	0	0	110.6	I296 C300 Q460 V461 L462 N466 N467 I468	I296-V464 HydrophobicContact CG2-CG1 3.89Å; I296-V464 HydrophobicContact CG2-CG2 4.45Å; C300-V464 HydrophobicContact CB-CG1 4.18Å; Q460-V464 WeakPolarHBondContact O-CG2 3.44Å; Q460-V464 PolarHBondContact O-N 3.29Å; V461-V464 PolarHBondContact O-N 3.28Å; L462-V464 VanDerWaalsContact C-N 3.34Å; L462-V464 PolarHBondContact O-N 3.32Å; V464-N466 VanDerWaalsContact C-N 3.3Å; V464-N466 PolarHBondContact O-N 2.78Å; V464-N467 PolarHBondContact O-N 3.27Å; V464-I468 HydrophobicContact CG1-CB 4.4Å; V464-I468 HydrophobicContact CG1-CD1 4.42Å; V464-I468 WeakPolarHBondContact O-CB 3.5Å; V464-I468 WeakPolarHBondContact O-CG2 3.17Å; V464-I468 PolarHBondContact O-N 2.95Å
465	V	85.1	Confident	85.5	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.03	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-43.1	-179.8	172.5	0	0	0	0	111	F297 F301 I435 Q436 L439 V461 L462	F297-V465 HydrophobicContact CE2-CG2 4.17Å; F301-V465 HydrophobicContact CE2-CG2 4.05Å; F301-V465 HydrophobicContact CZ-CG2 4.21Å; I435-V465 HydrophobicContact CG2-CG1 4.32Å; I435-V465 HydrophobicContact CG2-CG2 4.17Å; Q436-V465 HydrophobicContact CB-CG1 4.3Å; L439-V465 HydrophobicContact CD1-CG2 4.21Å; V461-V465 HydrophobicContact CG1-CG2 4.32Å; V461-V465 WeakPolarHBondContact O-CG2 3.37Å; V461-V465 PolarHBondContact O-N 2.62Å; L462-V465 PolarHBondContact O-N 3.38Å
466	N	84.4	Confident	86.7	Confident	39 Å²	39	39 Å²	39	21%	0.209	19%	0.189	C	C	.	.	H	α-helix	trans	-70.1	-36.4	-178.9	-70.3	2.8	0	0	0	112.5	Q436 L462 V464 H470	Q436-N466 VanDerWaalsContact CG-OD1 3.26Å; Q436-N466 WeakPolarHBondContact CG-OD1 3.33Å; Q436-N466 PolarHBondContact NE2-OD1 3.43Å; Q436-N466 PolarHBondContact OE1-OD1 3.14Å; L462-N466 VanDerWaalsContact O-CB 3.27Å; L462-N466 WeakPolarHBondContact O-CB 3.45Å; L462-N466 PolarHBondContact O-N 2.88Å; L462-N466 PolarHBondContact O-OD1 2.93Å; V464-N466 VanDerWaalsContact C-N 3.3Å; V464-N466 PolarHBondContact O-N 2.78Å; N466-H470 WeakPolarHBondContact O-CB 3.5Å
467	N	86.9	Confident	87.9	Confident	75 Å²	75	33.1 Å²	33.1	40%	0.401	17%	0.165	S	C	.	.	H	α-helix	trans	-103.2	-21.2	-170	-63.1	-36.6	0	0	0	114.8	N463 V464 F469 H470	N463-N467 VanDerWaalsContact O-CB 3.23Å; N463-N467 WeakPolarHBondContact O-CB 3.46Å; N463-N467 PolarHBondContact O-N 3.37Å; N463-N467 PolarHBondContact O-ND2 3.37Å; N463-N467 PolarHBondContact OD1-ND2 3Å; V464-N467 PolarHBondContact O-N 3.27Å; N467-F469 VanDerWaalsContact C-N 3.3Å; N467-F469 PolarHBondContact O-N 3.37Å; N467-H470 PolarHBondContact O-N 3.41Å
468	I	91.9	Very high	88.9	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-37.5	-172.7	-167.9	173.3	0	0	0	112.2	I296 F297 V464 Q568 V569	I296-I468 HydrophobicContact CB-CD1 4.13Å; I296-I468 HydrophobicContact CG2-CD1 4.27Å; F297-I468 HydrophobicContact CB-CD1 4.05Å; V464-I468 HydrophobicContact CG1-CB 4.4Å; V464-I468 HydrophobicContact CG1-CD1 4.42Å; V464-I468 WeakPolarHBondContact O-CB 3.5Å; V464-I468 WeakPolarHBondContact O-CG2 3.17Å; V464-I468 PolarHBondContact O-N 2.95Å; I468-Q568 HydrophobicContact CG1-CB 4.49Å; I468-Q568 PolarHBondContact O-N 2.83Å; I468-V569 HydrophobicContact CD1-CG2 3.92Å; I468-V569 HydrophobicContact CG1-CB 4.17Å; I468-V569 HydrophobicContact CG1-CG2 3.64Å; I468-V569 PolarHBondContact O-N 3.34Å
469	F	93.2	Very high	89.7	Confident	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.157	C	C	.	.	S	Bend	trans	-104.6	-6.6	179	-59.5	-64.5	0	0	0	113.5	L291 L294 L432 N467 G471 W493 P567 V569 R571 F674	L291-F469 HydrophobicContact CD2-CE2 4.38Å; L291-F469 HydrophobicContact CD2-CZ 4.08Å; L294-F469 HydrophobicContact CD1-CE1 3.86Å; L294-F469 HydrophobicContact CD1-CZ 3.58Å; L432-F469 HydrophobicContact CD1-CD2 3.75Å; L432-F469 HydrophobicContact CD1-CE2 3.7Å; L432-F469 HydrophobicContact CD2-CE2 4.26Å; N467-F469 VanDerWaalsContact C-N 3.3Å; N467-F469 PolarHBondContact O-N 3.37Å; F469-G471 PolarHBondContact O-N 3.45Å; F469-W493 WeakPolarHBondContact O-CA 3.13Å; F469-P567 WeakPolarHBondContact O-CB 3.08Å; F469-V569 HydrophobicContact CD1-CB 3.88Å; F469-V569 HydrophobicContact CD1-CG1 4.03Å; F469-V569 WeakPolarHBondContact CD1-O 3.34Å; F469-V569 HydrophobicContact CE1-CB 3.79Å; F469-V569 HydrophobicContact CE1-CG1 3.61Å; F469-R571 HydrophobicContact CD1-CG 3.67Å; F469-R571 HydrophobicContact CE1-CG 3.89Å; F469-F674 HydrophobicContact CE1-CD1 4.35Å; F469-F674 HydrophobicContact CE1-CE1 4.36Å
470	H	93.1	Very high	90.5	Very high	36 Å²	36	29.7 Å²	29.7	17%	0.167	15%	0.153	C	C	.	.			trans	-78.3	124.6	-172.7	169.7	-109.8	0	0	0	111.4	N466 N467 F492 P567	N466-H470 WeakPolarHBondContact O-CB 3.5Å; N467-H470 PolarHBondContact O-N 3.41Å; H470-F492 WeakPolarHBondContact CA-O 3.41Å; H470-P567 WeakPolarHBondContact O-CA 3.42Å; H470-P567 WeakPolarHBondContact O-CB 3.44Å
471	G	93.6	Very high	91.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	177	167.7	0	0	0	0	0	110.8	F469 P491 F492 H565	F469-G471 PolarHBondContact O-N 3.45Å; G471-P491 WeakPolarHBondContact O-CA 3.28Å; G471-F492 VanDerWaalsContact CA-CE1 3.46Å; G471-F492 PolarHBondContact N-O 2.97Å; G471-F492 WeakPolarHBondContact O-CD1 3.47Å; G471-F492 PolarHBondContact O-N 3.12Å; G471-H565 CarbonylContact C-O 3.59Å; G471-H565 WeakPolarHBondContact CA-O 3.36Å
472	Q	95.3	Very high	91.6	Very high	67 Å²	67	31.5 Å²	31.5	31%	0.313	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.8	175.9	-60.7	178.8	-38.9	0	0	110.6	I489 E490 F492 C564 H565	Q472-I489 HydrophobicContact CB-CG2 3.98Å; Q472-I489 HydrophobicContact CG-CG2 4.33Å; Q472-E490 WeakPolarHBondContact CA-O 3.1Å; Q472-F492 VanDerWaalsContact N-CE1 3.26Å; Q472-C564 VanDerWaalsContact C-SG 3.54Å; Q472-C564 WeakPolarHBondContact CB-SG 3.12Å; Q472-C564 PolarHBondContact O-N 3.2Å; Q472-C564 PolarHBondContact O-SG 3.2Å; Q472-H565 HydrophobicContact CB-CB 3.71Å; Q472-H565 HydrophobicContact CG-CB 3.9Å; Q472-H565 PolarHBondContact N-O 3.14Å; Q472-H565 PolarHBondContact O-N 3.25Å
473	L	95.9	Very high	92	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.068	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.1	171.8	-67.1	170.2	0	0	0	109.9	I489 E490 F492 L495 F524 M562 I563	L473-I489 CarbonylContact O-C 3.59Å; L473-I489 VanDerWaalsContact O-CA 3.31Å; L473-I489 WeakPolarHBondContact O-CA 3.38Å; L473-E490 PolarHBondContact N-O 2.89Å; L473-E490 PolarHBondContact O-N 2.84Å; L473-F492 HydrophobicContact CD1-CB 4.41Å; L473-F492 HydrophobicContact CD1-CD1 4.26Å; L473-F492 HydrophobicContact CD2-CD1 4.19Å; L473-F492 HydrophobicContact CD2-CE1 4.14Å; L473-F492 HydrophobicContact CG-CD1 3.63Å; L473-F492 HydrophobicContact CG-CE1 4.06Å; L473-F492 HydrophobicContact CG-CG 4.36Å; L473-L495 HydrophobicContact CD1-CD2 4.46Å; L473-L495 HydrophobicContact CD2-CD2 4.23Å; L473-F524 HydrophobicContact CD1-CE1 4.39Å; L473-F524 HydrophobicContact CD1-CZ 3.99Å; L473-F524 HydrophobicContact CD2-CE1 3.89Å; L473-F524 HydrophobicContact CD2-CZ 4.33Å; L473-M562 CarbonylContact C-O 3.5Å; L473-M562 VanDerWaalsContact CA-O 3.3Å; L473-M562 WeakPolarHBondContact CA-O 3.47Å; L473-I563 HydrophobicContact CD2-CG1 3.85Å
474	L	95.8	Very high	92.4	Very high	15 Å²	15	33.6 Å²	33.6	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	109.6	166	177.3	64.9	0	0	0	108.2	N487 L561 M562 C564 C605	L474-N487 HydrophobicContact CD1-CB 3.68Å; L474-L561 WeakPolarHBondContact O-CA 3.47Å; L474-M562 HydrophobicContact CB-CB 4.47Å; L474-M562 HydrophobicContact CD2-CE 3.81Å; L474-M562 HydrophobicContact CG-CE 4.29Å; L474-M562 PolarHBondContact N-O 3.05Å; L474-M562 PolarHBondContact O-N 2.75Å; L474-C564 HydrophobicContact CB-CB 4.33Å; L474-C605 HydrophobicContact CD2-CB 3.99Å
475	S	95.9	Very high	92.9	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	104	170.8	-178.7	0	0	0	0	108.7	N487 T488 K559	S475-N487 WeakPolarHBondContact O-CA 3.42Å; S475-T488 PolarHBondContact N-O 2.8Å; S475-T488 PolarHBondContact O-N 3.38Å; S475-K559 VanDerWaalsContact OG-CE 3.26Å; S475-K559 WeakPolarHBondContact OG-CE 3.36Å
476	Q	95.3	Very high	93.3	Very high	25 Å²	25	39.5 Å²	39.5	12%	0.117	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.3	179.7	178.7	163.9	112.4	0	0	110.2	K485 S486 N487 K559 Q560 M562	Q476-K485 HydrophobicContact CG-CB 4.48Å; Q476-S486 CarbonylContact C-O 3.53Å; Q476-S486 WeakPolarHBondContact CA-O 3.43Å; Q476-N487 WeakPolarHBondContact CG-OD1 3.38Å; Q476-N487 PolarHBondContact NE2-OD1 3.25Å; Q476-K559 CarbonylContact O-C 3.5Å; Q476-K559 VanDerWaalsContact O-CA 3.31Å; Q476-K559 WeakPolarHBondContact O-CA 3.45Å; Q476-Q560 PolarHBondContact N-O 2.6Å; Q476-Q560 PolarHBondContact O-N 3.29Å; Q476-M562 HydrophobicContact CB-CE 3.98Å
477	V	96.1	Very high	93.7	Very high	22 Å²	22	42 Å²	42	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.2	171.5	-177.4	0	0	0	0	108.8	K485 S486 L530 Y535 A557 Q558 K559	V477-K485 WeakPolarHBondContact O-CA 3.35Å; V477-S486 PolarHBondContact N-O 3.41Å; V477-S486 PolarHBondContact O-N 3.45Å; V477-L530 HydrophobicContact CG1-CD1 4.29Å; V477-Y535 HydrophobicContact CB-CE2 4.35Å; V477-Y535 HydrophobicContact CG1-CD1 4.33Å; V477-Y535 HydrophobicContact CG1-CD2 3.76Å; V477-Y535 HydrophobicContact CG1-CE1 4.24Å; V477-Y535 HydrophobicContact CG1-CE2 3.68Å; V477-Y535 HydrophobicContact CG1-CG 4.09Å; V477-A557 HydrophobicContact CG1-CB 3.73Å; V477-Q558 CarbonylContact C-O 3.56Å; V477-Q558 WeakPolarHBondContact CA-O 3.34Å; V477-K559 HydrophobicContact CG2-CG 4.27Å
478	T	95.7	Very high	94.1	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.043	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.3	178.2	-54.1	0	0	0	0	109.7	L480 D483 K485 A557 Q558	T478-L480 PolarHBondContact O-N 3.49Å; T478-D483 WeakPolarHBondContact CG2-OD1 3.38Å; T478-K485 HydrophobicContact CG2-CG 4.19Å; T478-A557 CarbonylContact O-C 3.47Å; T478-A557 VanDerWaalsContact O-CA 3.23Å; T478-A557 WeakPolarHBondContact O-CA 3.46Å; T478-A557 WeakPolarHBondContact O-CB 3.3Å; T478-Q558 PolarHBondContact N-O 3.16Å; T478-Q558 PolarHBondContact O-N 3.1Å
479	C	94.7	Very high	94.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.7	176.9	-177.2	0	0	0	0	111	A481 D483 N484 Y535 C537 T555	C479-A481 PolarHBondContact O-N 3.09Å; C479-D483 VanDerWaalsContact O-CA 3.22Å; C479-D483 WeakPolarHBondContact O-CA 3.47Å; C479-D483 PolarHBondContact O-N 3Å; C479-N484 PolarHBondContact N-O 2.79Å; C479-Y535 HydrophobicContact CB-CD1 4.37Å; C479-Y535 HydrophobicContact CB-CE1 3.97Å; C479-C537 HydrophobicContact CB-CB 4.25Å; C479-T555 PolarHBondContact SG-OG1 3.18Å
480	L	93.7	Very high	94.3	Very high	94 Å²	94	50.9 Å²	50.9	49%	0.492	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.1	179.8	-61.5	-178.2	0	0	0	113.5	T478 E556 Q558	T478-L480 PolarHBondContact O-N 3.49Å; L480-E556 HydrophobicContact CB-CB 4.4Å; L480-E556 HydrophobicContact CD1-CB 3.99Å; L480-E556 PolarHBondContact N-O 2.92Å; L480-Q558 HydrophobicContact CD2-CB 4.46Å; L480-Q558 HydrophobicContact CD2-CG 4.08Å
481	A	91.6	Very high	94.4	Very high	74 Å²	74	52.6 Å²	52.6	61%	0.612	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-28.2	179.4	0	0	0	0	0	113.9	C479 T555	C479-A481 PolarHBondContact O-N 3.09Å; A481-T555 HydrophobicContact CB-CG2 4.03Å
482	C	91.5	Very high	94.5	Very high	47 Å²	47	53.2 Å²	53.2	32%	0.318	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.8	2.1	-174	72.5	0	0	0	0	115	N484	C482-N484 PolarHBondContact O-N 3.13Å; C482-N484 VanDerWaalsContact O-N 3.09Å; C482-N484 VanDerWaalsContact SG-CB 3.52Å
483	D	93.6	Very high	94.4	Very high	116 Å²	116	55 Å²	55	62%	0.62	30%	0.3	S	S	*	.			trans	59.2	15	-178.3	-156.8	41.4	0	0	0	115	T478 C479 K485	T478-D483 WeakPolarHBondContact CG2-OD1 3.38Å; C479-D483 VanDerWaalsContact O-CA 3.22Å; C479-D483 WeakPolarHBondContact O-CA 3.47Å; C479-D483 PolarHBondContact O-N 3Å; D483-K485 PolarHBondContact O-N 2.91Å
484	N	93.1	Very high	94.3	Very high	43 Å²	43	55.9 Å²	55.9	23%	0.23	30%	0.304	C	S	.	.			trans	-68.2	130.4	173.8	-174.5	80.4	0	0	0	110.4	C479 C482 Q539	C479-N484 PolarHBondContact N-O 2.79Å; C482-N484 PolarHBondContact O-N 3.13Å; C482-N484 VanDerWaalsContact O-N 3.09Å; C482-N484 VanDerWaalsContact SG-CB 3.52Å; N484-Q539 HydrophobicContact CB-CB 4.22Å; N484-Q539 HydrophobicContact CB-CG 3.85Å; N484-Q539 VanDerWaalsContact CG-CG 3.44Å; N484-Q539 VanDerWaalsContact OD1-CG 3.24Å; N484-Q539 WeakPolarHBondContact OD1-CG 3.34Å
485	K	93.7	Very high	94.4	Very high	113 Å²	113	55.3 Å²	55.3	49%	0.491	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.4	177.6	-61	-176.6	173.9	-159.1	0	110.5	Q476 V477 T478 D483	Q476-K485 HydrophobicContact CG-CB 4.48Å; V477-K485 WeakPolarHBondContact O-CA 3.35Å; T478-K485 HydrophobicContact CG2-CG 4.19Å; D483-K485 PolarHBondContact O-N 2.91Å
486	S	93.7	Very high	94.4	Very high	33 Å²	33	56.4 Å²	56.4	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128	171.1	-70.4	0	0	0	0	108.8	Q476 V477 Y535	Q476-S486 CarbonylContact C-O 3.53Å; Q476-S486 WeakPolarHBondContact CA-O 3.43Å; V477-S486 PolarHBondContact N-O 3.41Å; V477-S486 PolarHBondContact O-N 3.45Å; S486-Y535 PolarHBondContact OG-OH 3.21Å
487	N	94.1	Very high	94.5	Very high	93 Å²	93	55.2 Å²	55.2	50%	0.497	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.2	-175	-73.9	-18.1	0	0	0	109.7	L474 S475 Q476	L474-N487 HydrophobicContact CD1-CB 3.68Å; S475-N487 WeakPolarHBondContact O-CA 3.42Å; Q476-N487 WeakPolarHBondContact CG-OD1 3.38Å; Q476-N487 PolarHBondContact NE2-OD1 3.25Å
488	T	95.1	Very high	94.4	Very high	77 Å²	77	58.8 Å²	58.8	47%	0.472	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.6	172.3	-55	0	0	0	0	108.8	S475 E490	S475-T488 PolarHBondContact N-O 2.8Å; S475-T488 PolarHBondContact O-N 3.38Å; T488-E490 HydrophobicContact CG2-CG 4.19Å
489	I	95.6	Very high	94.2	Very high	107 Å²	107	58.6 Å²	58.6	55%	0.549	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.3	175.6	-59.3	175.4	0	0	0	108.5	Q472 L473	Q472-I489 HydrophobicContact CB-CG2 3.98Å; Q472-I489 HydrophobicContact CG-CG2 4.33Å; L473-I489 CarbonylContact O-C 3.59Å; L473-I489 VanDerWaalsContact O-CA 3.31Å; L473-I489 WeakPolarHBondContact O-CA 3.38Å
490	E	94.1	Very high	94	Very high	81 Å²	81	58.8 Å²	58.8	38%	0.379	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125	-178.1	-66	176.7	-168	0	0	109.7	Q472 L473 T488	Q472-E490 WeakPolarHBondContact CA-O 3.1Å; L473-E490 PolarHBondContact N-O 2.89Å; L473-E490 PolarHBondContact O-N 2.84Å; T488-E490 HydrophobicContact CG2-CG 4.19Å
491	P	95	Very high	93.6	Very high	72 Å²	72	61.3 Å²	61.3	47%	0.468	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	150.6	176.3	31.2	-34.7	0	0	0	111.2	G471 W493	G471-P491 WeakPolarHBondContact O-CA 3.28Å; P491-W493 HydrophobicContact CB-CH2 4.02Å; P491-W493 HydrophobicContact CB-CZ3 3.96Å; P491-W493 HydrophobicContact CG-CH2 4.22Å; P491-W493 HydrophobicContact CG-CZ3 4.13Å
492	F	94.6	Very high	93.2	Very high	12 Å²	12	63 Å²	63	5%	0.053	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.5	173.4	75	-89.7	0	0	0	112.2	H470 G471 Q472 L473 L495 I563 P567 L570	H470-F492 WeakPolarHBondContact CA-O 3.41Å; G471-F492 VanDerWaalsContact CA-CE1 3.46Å; G471-F492 PolarHBondContact N-O 2.97Å; G471-F492 WeakPolarHBondContact O-CD1 3.47Å; G471-F492 PolarHBondContact O-N 3.12Å; Q472-F492 VanDerWaalsContact N-CE1 3.26Å; L473-F492 HydrophobicContact CD1-CB 4.41Å; L473-F492 HydrophobicContact CD1-CD1 4.26Å; L473-F492 HydrophobicContact CD2-CD1 4.19Å; L473-F492 HydrophobicContact CD2-CE1 4.14Å; L473-F492 HydrophobicContact CG-CD1 3.63Å; L473-F492 HydrophobicContact CG-CE1 4.06Å; L473-F492 HydrophobicContact CG-CG 4.36Å; F492-L495 HydrophobicContact CD1-CD2 4.36Å; F492-L495 HydrophobicContact CD2-CD2 3.59Å; F492-L495 HydrophobicContact CD2-CG 4.01Å; F492-L495 HydrophobicContact CE1-CD2 4.34Å; F492-L495 HydrophobicContact CE2-CD1 4.32Å; F492-L495 HydrophobicContact CE2-CD2 3.62Å; F492-L495 HydrophobicContact CE2-CG 3.73Å; F492-L495 HydrophobicContact CG-CD2 3.97Å; F492-L495 HydrophobicContact CZ-CD2 3.99Å; F492-L495 HydrophobicContact CZ-CG 4.31Å; F492-I563 HydrophobicContact CE1-CG2 4.36Å; F492-I563 HydrophobicContact CZ-CG2 4.43Å; F492-P567 HydrophobicContact CE2-CG 4.22Å; F492-P567 HydrophobicContact CZ-CG 4.37Å; F492-L570 HydrophobicContact CE2-CD1 4.28Å
493	W	93.1	Very high	92.7	Very high	105 Å²	105	61.5 Å²	61.5	40%	0.398	31%	0.306	S	S	.	.	S	Bend	trans	-119.2	-17.5	174.7	-70.8	-101.2	0	0	0	113	F469 P491	F469-W493 WeakPolarHBondContact O-CA 3.13Å; P491-W493 HydrophobicContact CB-CH2 4.02Å; P491-W493 HydrophobicContact CB-CZ3 3.96Å; P491-W493 HydrophobicContact CG-CH2 4.22Å; P491-W493 HydrophobicContact CG-CZ3 4.13Å
494	D	94.9	Very high	91.8	Very high	32 Å²	32	58.7 Å²	58.7	17%	0.171	29%	0.29	C	S	.	.			trans	-145.8	150.2	167.8	69.1	-97.3	0	0	0	110.6	Q425 S496 R571	Q425-D494 PolarHBondContact NE2-OD1 3.33Å; D494-S496 PolarHBondContact OD2-OG 3.07Å; D494-R571 WeakPolarHBondContact CA-O 3.17Å; D494-R571 HydrophobicContact CB-CB 3.97Å; D494-R571 IonicContact OD1-NH2 3.59Å
495	L	96.9	Very high	90.4	Very high	2 Å²	2	61 Å²	61	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	104.9	168	-60.5	-179.9	0	0	0	108.1	L473 F492 L497 L521 F524 I563 L570 R571 L572 H573	L473-L495 HydrophobicContact CD1-CD2 4.46Å; L473-L495 HydrophobicContact CD2-CD2 4.23Å; F492-L495 HydrophobicContact CD1-CD2 4.36Å; F492-L495 HydrophobicContact CD2-CD2 3.59Å; F492-L495 HydrophobicContact CD2-CG 4.01Å; F492-L495 HydrophobicContact CE1-CD2 4.34Å; F492-L495 HydrophobicContact CE2-CD1 4.32Å; F492-L495 HydrophobicContact CE2-CD2 3.62Å; F492-L495 HydrophobicContact CE2-CG 3.73Å; F492-L495 HydrophobicContact CG-CD2 3.97Å; F492-L495 HydrophobicContact CZ-CD2 3.99Å; F492-L495 HydrophobicContact CZ-CG 4.31Å; L495-L497 HydrophobicContact CB-CD2 4.05Å; L495-L497 PolarHBondContact O-N 2.8Å; L495-L521 HydrophobicContact CD1-CD2 4.21Å; L495-F524 HydrophobicContact CD2-CE1 3.97Å; L495-F524 HydrophobicContact CD2-CZ 3.9Å; L495-I563 HydrophobicContact CD1-CD1 3.91Å; L495-L570 HydrophobicContact CD1-CD1 3.95Å; L495-L570 HydrophobicContact CG-CD1 4.37Å; L495-R571 PolarHBondContact N-O 3.49Å; L495-L572 HydrophobicContact CB-CD2 3.86Å; L495-L572 HydrophobicContact CD1-CD2 3.93Å; L495-L572 HydrophobicContact CG-CD2 4.32Å; L495-H573 PolarHBondContact O-N 2.98Å
496	S	96.8	Very high	88.4	Confident	30 Å²	30	60.9 Å²	60.9	21%	0.21	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	96.4	176.2	-80.6	0	0	0	0	110.3	D494 H573 K575	D494-S496 PolarHBondContact OD2-OG 3.07Å; S496-H573 CarbonylContact C-O 3.57Å; S496-H573 WeakPolarHBondContact CA-O 3.26Å; S496-H573 PolarHBondContact OG-ND1 2.96Å; S496-K575 WeakPolarHBondContact O-CE 3.03Å
497	L	96.6	Very high	86.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.1	-171.9	-54.4	-178	0	0	0	112.3	L495 V517 M520 L521 F524 L572 H573 L574 K575	L495-L497 HydrophobicContact CB-CD2 4.05Å; L495-L497 PolarHBondContact O-N 2.8Å; L497-V517 HydrophobicContact CD1-CG1 4.45Å; L497-M520 HydrophobicContact CB-CB 4.18Å; L497-M520 HydrophobicContact CB-CE 3.78Å; L497-M520 HydrophobicContact CD1-CB 4.02Å; L497-L521 HydrophobicContact CD1-CD2 4.07Å; L497-L521 HydrophobicContact CD1-CG 4.11Å; L497-L521 HydrophobicContact CD2-CD2 3.9Å; L497-F524 HydrophobicContact CD2-CB 3.97Å; L497-F524 HydrophobicContact CD2-CD2 4.09Å; L497-F524 HydrophobicContact CD2-CG 4.04Å; L497-L572 HydrophobicContact CD1-CB 4.22Å; L497-L572 HydrophobicContact CD1-CD1 4.42Å; L497-L572 HydrophobicContact CD1-CD2 4.36Å; L497-H573 PolarHBondContact N-O 3.46Å; L497-L574 HydrophobicContact CB-CD2 4.27Å; L497-L574 HydrophobicContact CD1-CD2 4.06Å; L497-K575 WeakPolarHBondContact O-CB 3.23Å; L497-K575 PolarHBondContact O-N 2.67Å
498	E	93.6	Very high	84.3	Confident	96 Å²	96	66.8 Å²	66.8	45%	0.449	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-88.2	142.5	176.2	-76.6	178.1	-164.5	0	0	111.9	P500 K575	E498-P500 WeakPolarHBondContact O-CD 3.4Å; E498-K575 HydrophobicContact CG-CD 3.73Å; E498-K575 IonicContact OE1-NZ 3.98Å; E498-K575 PolarHBondContact OE1-NZ 2.79Å
499	F	92.2	Very high	82.1	Confident	3 Å²	3	70.5 Å²	70.5	1%	0.013	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-68.6	135.3	171.7	-75.3	-97.9	0	0	0	109.5	Q504 M520 K523 L574 K575 R576 I588 V592	F499-Q504 HydrophobicContact CB-CG 4.27Å; F499-Q504 PolarHBondContact O-NE2 2.74Å; F499-M520 HydrophobicContact CD1-CE 4.32Å; F499-M520 HydrophobicContact CD2-CE 3.97Å; F499-M520 HydrophobicContact CE1-CE 4.39Å; F499-M520 HydrophobicContact CE2-CE 4.03Å; F499-M520 HydrophobicContact CG-CE 4.12Å; F499-M520 HydrophobicContact CZ-CE 4.24Å; F499-K523 PolarHBondContact O-NZ 2.92Å; F499-K523 VanDerWaalsContact O-NZ 3.13Å; F499-L574 HydrophobicContact CE2-CB 4.31Å; F499-L574 HydrophobicContact CZ-CB 4.42Å; F499-K575 WeakPolarHBondContact CD2-O 3.42Å; F499-R576 HydrophobicContact CE2-CB 4.45Å; F499-R576 HydrophobicContact CE2-CG 3.78Å; F499-R576 HydrophobicContact CZ-CG 3.83Å; F499-I588 HydrophobicContact CB-CD1 3.93Å; F499-I588 HydrophobicContact CD1-CD1 4.46Å; F499-I588 HydrophobicContact CD1-CG2 3.82Å; F499-I588 HydrophobicContact CD2-CD1 3.58Å; F499-I588 HydrophobicContact CD2-CG2 4.43Å; F499-I588 HydrophobicContact CE1-CG2 3.79Å; F499-I588 HydrophobicContact CE2-CB 4.44Å; F499-I588 HydrophobicContact CE2-CD1 4.23Å; F499-I588 HydrophobicContact CE2-CG2 4.42Å; F499-I588 HydrophobicContact CG-CD1 3.72Å; F499-I588 HydrophobicContact CG-CG2 4.15Å; F499-I588 HydrophobicContact CZ-CB 4.48Å; F499-I588 HydrophobicContact CZ-CG2 4.12Å; F499-V592 HydrophobicContact CE1-CG2 3.48Å; F499-V592 VanDerWaalsContact CE1-CG2 3.48Å; F499-V592 HydrophobicContact CZ-CG2 3.81Å
500	P	90.1	Very high	80	Confident	5 Å²	5	69.2 Å²	69.2	3%	0.032	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-52.4	144.1	165.9	-29.3	34.7	0	0	0	112.3	E498 R502 Y503 E519 K523	E498-P500 WeakPolarHBondContact O-CD 3.4Å; P500-R502 HydrophobicContact CB-CG 4.25Å; P500-R502 VanDerWaalsContact CG-NH2 3.28Å; P500-R502 PolarHBondContact O-N 2.95Å; P500-R502 VanDerWaalsContact O-N 3.12Å; P500-Y503 HydrophobicContact CB-CD2 3.85Å; P500-Y503 HydrophobicContact CB-CE2 4.12Å; P500-Y503 HydrophobicContact CG-CD2 4Å; P500-Y503 HydrophobicContact CG-CE2 4.06Å; P500-Y503 PolarHBondContact O-N 3.25Å; P500-E519 HydrophobicContact CG-CG 4.38Å; P500-K523 HydrophobicContact CB-CD 4.13Å; P500-K523 HydrophobicContact CG-CD 3.95Å
501	E	84.8	Confident	77.8	Confident	146 Å²	146	70.2 Å²	70.2	68%	0.682	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-57	-34.7	-170.5	-66.1	-177.6	172.1	0	0	112.9	Y503 Q504	E501-Y503 PolarHBondContact O-N 2.88Å; E501-Q504 WeakPolarHBondContact O-CB 3.44Å; E501-Q504 PolarHBondContact O-N 3.01Å
502	R	83.5	Confident	76.1	Confident	110 Å²	110	71.5 Å²	71.5	42%	0.415	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-56.7	-30.9	174.6	65.2	179.7	173.2	-75.8	-20.8	113.5	P500 I510 E519	P500-R502 HydrophobicContact CB-CG 4.25Å; P500-R502 VanDerWaalsContact CG-NH2 3.28Å; P500-R502 PolarHBondContact O-N 2.95Å; P500-R502 VanDerWaalsContact O-N 3.12Å; R502-I510 WeakPolarHBondContact O-CD1 3.26Å; R502-E519 IonicContact CZ-OE1 3.29Å; R502-E519 VanDerWaalsContact CZ-OE1 3.29Å; R502-E519 IonicContact CZ-OE2 3.86Å; R502-E519 IonicContact NE-OE1 3.9Å; R502-E519 IonicContact NH1-OE1 3.15Å; R502-E519 IonicContact NH2-OE1 3.89Å; R502-E519 PolarHBondContact NH2-OE1 3.37Å; R502-E519 IonicContact NH2-OE2 3.41Å; R502-E519 PolarHBondContact NH2-OE2 3.13Å
503	Y	80.8	Confident	74.7	Confident	15 Å²	15	77.6 Å²	77.6	6%	0.059	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-90.7	-4.6	177.6	-55.1	-58.6	0	0	0	112.8	P500 E501 P514 C515 E519 V590	P500-Y503 HydrophobicContact CB-CD2 3.85Å; P500-Y503 HydrophobicContact CB-CE2 4.12Å; P500-Y503 HydrophobicContact CG-CD2 4Å; P500-Y503 HydrophobicContact CG-CE2 4.06Å; P500-Y503 PolarHBondContact O-N 3.25Å; E501-Y503 PolarHBondContact O-N 2.88Å; Y503-P514 PolarHBondContact OH-O 2.91Å; Y503-C515 HydrophobicContact CD1-CB 4.45Å; Y503-C515 HydrophobicContact CD2-CB 3.93Å; Y503-C515 HydrophobicContact CE1-CB 4.13Å; Y503-C515 HydrophobicContact CE2-CB 3.52Å; Y503-C515 VanDerWaalsContact CE2-SG 3.54Å; Y503-C515 HydrophobicContact CG-CB 4.37Å; Y503-E519 WeakPolarHBondContact CE2-OE2 3.36Å; Y503-E519 PolarHBondContact OH-OE2 2.96Å; Y503-V590 HydrophobicContact CD1-CG1 4.19Å; Y503-V590 HydrophobicContact CG-CG1 4.44Å
504	Q	75.9	Confident	74.1	Confident	58 Å²	58	76.6 Å²	76.6	27%	0.271	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-28.7	177.9	-58.5	-178.2	18.4	0	0	111.4	F499 E501 R578	F499-Q504 HydrophobicContact CB-CG 4.27Å; F499-Q504 PolarHBondContact O-NE2 2.74Å; E501-Q504 WeakPolarHBondContact O-CB 3.44Å; E501-Q504 PolarHBondContact O-N 3.01Å; Q504-R578 PolarHBondContact O-NE 3.38Å; Q504-R578 PolarHBondContact O-NH2 3.08Å
505	C	62.8	Low	73.9	Confident	91 Å²	91	75.1 Å²	75.1	62%	0.615	42%	0.422	S	S	*	.	S	Bend	trans	-87.6	128.1	-178.4	-68.7	0	0	0	0	112.8	G507	C505-G507 PolarHBondContact O-N 3.47Å
506	S	53.3	Low	73.8	Confident	111 Å²	111	78.3 Å²	78.3	78%	0.776	44%	0.438	S	S	*	.			trans	-76.9	40.5	173.4	-72.6	0	0	0	0	113.1
507	G	51.2	Low	73.8	Confident	43 Å²	43	77 Å²	77	44%	0.443	43%	0.429	S	S	.	.			trans	-75.6	132.4	172.9	0	0	0	0	0	110	C505 D509	C505-G507 PolarHBondContact O-N 3.47Å; G507-D509 PolarHBondContact O-N 2.99Å
508	K	48.9	Very low	73.8	Confident	206 Å²	206	80 Å²	80	90%	0.896	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	1.3	-175.8	-78.3	-179.1	175.1	178	0	115.3
509	D	48.8	Very low	73.9	Confident	155 Å²	155	78.3 Å²	78.3	83%	0.829	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	26.4	-169.4	-62.8	-35.9	0	0	0	114.6	G507	G507-D509 PolarHBondContact O-N 2.99Å
510	I	52.8	Low	74.1	Confident	81 Å²	81	78.2 Å²	78.2	42%	0.415	44%	0.439	S	S	.	.			trans	-115.1	70.4	-175.9	-45.7	-175.7	0	0	0	109.9	R502	R502-I510 WeakPolarHBondContact O-CD1 3.26Å
511	A	48.4	Very low	74.4	Confident	102 Å²	102	78 Å²	78	84%	0.843	44%	0.438	S	S	*	.			trans	-123.6	31.3	-177.8	0	0	0	0	0	113.4
512	S	57.7	Low	74.9	Confident	98 Å²	98	73.3 Å²	73.3	69%	0.685	42%	0.424	S	S	*	.	S	Bend	trans	-117.3	-23	-178.3	62.8	0	0	0	0	116.4
513	Q	66	Low	75.5	Confident	141 Å²	141	70.7 Å²	70.7	66%	0.659	42%	0.415	S	S	*	.			trans	-137.4	132.5	-177.6	-66.7	-62.2	-26.1	0	0	113.2
514	P	80.1	Confident	76.2	Confident	84 Å²	84	72.1 Å²	72.1	55%	0.545	42%	0.422	S	S	.	.			trans	-71.6	137.3	173	30.2	-32.5	0	0	0	110.4	Y503 L516	Y503-P514 PolarHBondContact OH-O 2.91Å; P514-L516 PolarHBondContact O-N 3.07Å
515	C	90.9	Very high	77.2	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.007	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.7	169.5	-175.2	0	0	0	0	108.6	Y503 V590 V592 G593	Y503-C515 HydrophobicContact CD1-CB 4.45Å; Y503-C515 HydrophobicContact CD2-CB 3.93Å; Y503-C515 HydrophobicContact CE1-CB 4.13Å; Y503-C515 HydrophobicContact CE2-CB 3.52Å; Y503-C515 VanDerWaalsContact CE2-SG 3.54Å; Y503-C515 HydrophobicContact CG-CB 4.37Å; C515-V590 HydrophobicContact CB-CG1 3.94Å; C515-V592 HydrophobicContact CB-CG2 4.42Å; C515-V592 CarbonylContact O-C 3.5Å; C515-V592 VanDerWaalsContact O-CA 3.27Å; C515-V592 WeakPolarHBondContact O-CA 3.29Å; C515-G593 PolarHBondContact O-N 3.24Å
516	L	95.3	Very high	78.7	Confident	69 Å²	69	71.8 Å²	71.8	36%	0.361	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	150	177.4	-60.7	177.2	0	0	0	110.8	P514 T518 E519 M520 G593	P514-L516 PolarHBondContact O-N 3.07Å; L516-T518 WeakPolarHBondContact CB-OG1 3.44Å; L516-T518 PolarHBondContact O-N 3.29Å; L516-E519 HydrophobicContact CB-CB 4.16Å; L516-E519 WeakPolarHBondContact O-CB 3.24Å; L516-E519 PolarHBondContact O-N 3.1Å; L516-E519 VanDerWaalsContact O-N 3.14Å; L516-M520 PolarHBondContact O-N 3.43Å; L516-M520 VanDerWaalsContact O-N 3.09Å; L516-G593 WeakPolarHBondContact CA-O 3.29Å
517	V	96.5	Very high	80.7	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.018	39%	0.393	C	S	.	.	H	α-helix	trans	-60.5	-37.4	172.7	171.8	0	0	0	0	111.3	L497 E519 M520 L521 L572 V592 G593 F594 L673	L497-V517 HydrophobicContact CD1-CG1 4.45Å; V517-E519 VanDerWaalsContact C-N 3.25Å; V517-E519 PolarHBondContact O-N 3.28Å; V517-M520 PolarHBondContact O-N 3.42Å; V517-M520 VanDerWaalsContact O-N 3.15Å; V517-L521 HydrophobicContact CG1-CD1 3.96Å; V517-L521 HydrophobicContact CG1-CG 4.36Å; V517-L521 WeakPolarHBondContact O-CG 3.37Å; V517-L521 PolarHBondContact O-N 3.43Å; V517-L572 HydrophobicContact CG1-CD1 3.57Å; V517-V592 HydrophobicContact CB-CG1 4.49Å; V517-V592 HydrophobicContact CG2-CG1 3.57Å; V517-G593 PolarHBondContact N-O 2.97Å; V517-F594 HydrophobicContact CB-CB 4.4Å; V517-F594 HydrophobicContact CG2-CB 3.67Å; V517-L673 HydrophobicContact CG1-CD1 4.5Å; V517-L673 HydrophobicContact CG2-CD1 3.58Å
518	T	96.3	Very high	82.8	Confident	61 Å²	61	72.3 Å²	72.3	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-61.6	-34.9	176.3	50	0	0	0	0	112.4	L516 A522 L598 Y603	L516-T518 WeakPolarHBondContact CB-OG1 3.44Å; L516-T518 PolarHBondContact O-N 3.29Å; T518-A522 WeakPolarHBondContact O-CB 3.28Å; T518-A522 PolarHBondContact O-N 3.33Å; T518-L598 HydrophobicContact CG2-CD1 4.11Å; T518-Y603 WeakPolarHBondContact CA-OH 3.34Å; T518-Y603 VanDerWaalsContact CB-OH 3.31Å; T518-Y603 WeakPolarHBondContact CB-OH 3.28Å; T518-Y603 PolarHBondContact O-OH 3.44Å
519	E	95.1	Very high	84.8	Confident	61 Å²	61	66.2 Å²	66.2	29%	0.285	38%	0.383	S	S	.	.	H	α-helix	trans	-71.1	-38.3	174.9	174.9	171.8	-127	0	0	111.8	P500 R502 Y503 L516 V517 A522 K523	P500-E519 HydrophobicContact CG-CG 4.38Å; R502-E519 IonicContact CZ-OE1 3.29Å; R502-E519 VanDerWaalsContact CZ-OE1 3.29Å; R502-E519 IonicContact CZ-OE2 3.86Å; R502-E519 IonicContact NE-OE1 3.9Å; R502-E519 IonicContact NH1-OE1 3.15Å; R502-E519 IonicContact NH2-OE1 3.89Å; R502-E519 PolarHBondContact NH2-OE1 3.37Å; R502-E519 IonicContact NH2-OE2 3.41Å; R502-E519 PolarHBondContact NH2-OE2 3.13Å; Y503-E519 WeakPolarHBondContact CE2-OE2 3.36Å; Y503-E519 PolarHBondContact OH-OE2 2.96Å; L516-E519 HydrophobicContact CB-CB 4.16Å; L516-E519 WeakPolarHBondContact O-CB 3.24Å; L516-E519 PolarHBondContact O-N 3.1Å; L516-E519 VanDerWaalsContact O-N 3.14Å; V517-E519 VanDerWaalsContact C-N 3.25Å; V517-E519 PolarHBondContact O-N 3.28Å; E519-A522 PolarHBondContact O-N 3.48Å; E519-K523 PolarHBondContact O-N 2.93Å
520	M	96.4	Very high	86.9	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-67.2	-38.2	173.9	-63.2	-178.3	74.9	0	0	112.3	L497 F499 L516 V517 K523 F524 L574 V592	L497-M520 HydrophobicContact CB-CB 4.18Å; L497-M520 HydrophobicContact CB-CE 3.78Å; L497-M520 HydrophobicContact CD1-CB 4.02Å; F499-M520 HydrophobicContact CD1-CE 4.32Å; F499-M520 HydrophobicContact CD2-CE 3.97Å; F499-M520 HydrophobicContact CE1-CE 4.39Å; F499-M520 HydrophobicContact CE2-CE 4.03Å; F499-M520 HydrophobicContact CG-CE 4.12Å; F499-M520 HydrophobicContact CZ-CE 4.24Å; L516-M520 PolarHBondContact O-N 3.43Å; L516-M520 VanDerWaalsContact O-N 3.09Å; V517-M520 PolarHBondContact O-N 3.42Å; V517-M520 VanDerWaalsContact O-N 3.15Å; M520-K523 PolarHBondContact O-N 3.44Å; M520-F524 WeakPolarHBondContact O-CB 3.37Å; M520-F524 PolarHBondContact O-N 3.34Å; M520-L574 HydrophobicContact CE-CD2 4Å; M520-L574 HydrophobicContact SD-CD2 4Å; M520-V592 HydrophobicContact SD-CG1 3.7Å; M520-V592 HydrophobicContact SD-CG2 4.02Å
521	L	97.1	Very high	88.4	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-67.4	-38.5	173.9	-74.1	166.7	0	0	0	112.1	L495 L497 V517 F524 T525 L572 L598 M600 Y603	L495-L521 HydrophobicContact CD1-CD2 4.21Å; L497-L521 HydrophobicContact CD1-CD2 4.07Å; L497-L521 HydrophobicContact CD1-CG 4.11Å; L497-L521 HydrophobicContact CD2-CD2 3.9Å; V517-L521 HydrophobicContact CG1-CD1 3.96Å; V517-L521 HydrophobicContact CG1-CG 4.36Å; V517-L521 WeakPolarHBondContact O-CG 3.37Å; V517-L521 PolarHBondContact O-N 3.43Å; L521-F524 WeakPolarHBondContact O-CB 3.25Å; L521-F524 PolarHBondContact O-N 3.25Å; L521-T525 PolarHBondContact O-N 2.84Å; L521-T525 VanDerWaalsContact O-N 3.08Å; L521-T525 PolarHBondContact O-OG1 3.44Å; L521-L572 HydrophobicContact CD1-CD1 4.37Å; L521-L572 HydrophobicContact CD2-CD2 4.11Å; L521-L598 HydrophobicContact CD1-CD1 4.13Å; L521-L598 HydrophobicContact CD1-CD2 4.21Å; L521-M600 HydrophobicContact CD1-SD 3.92Å; L521-M600 HydrophobicContact CD2-CE 4.25Å; L521-Y603 HydrophobicContact CB-CD1 3.94Å; L521-Y603 HydrophobicContact CB-CD2 4.12Å; L521-Y603 HydrophobicContact CB-CE1 3.57Å; L521-Y603 HydrophobicContact CB-CE2 3.79Å; L521-Y603 HydrophobicContact CB-CG 4.2Å; L521-Y603 VanDerWaalsContact CB-CZ 3.49Å; L521-Y603 HydrophobicContact CD1-CD2 4.17Å; L521-Y603 HydrophobicContact CD1-CE2 3.72Å; L521-Y603 HydrophobicContact CG-CE2 4.36Å
522	A	95.5	Very high	90.1	Very high	47 Å²	47	62.8 Å²	62.8	39%	0.388	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-46.6	173.8	0	0	0	0	0	110.7	T518 E519 F524 T525 E526 Y603	T518-A522 WeakPolarHBondContact O-CB 3.28Å; T518-A522 PolarHBondContact O-N 3.33Å; E519-A522 PolarHBondContact O-N 3.48Å; A522-F524 VanDerWaalsContact C-N 3.29Å; A522-F524 PolarHBondContact O-N 2.97Å; A522-T525 CarbonylContact O-C 3.47Å; A522-T525 PolarHBondContact O-N 3.3Å; A522-T525 VanDerWaalsContact O-N 3.17Å; A522-T525 PolarHBondContact O-OG1 2.92Å; A522-E526 PolarHBondContact O-N 2.71Å; A522-Y603 HydrophobicContact CB-CE1 4.16Å
523	K	95.1	Very high	91.4	Very high	55 Å²	55	64.6 Å²	64.6	24%	0.239	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-39.4	173.6	-178.8	174	175.5	-177.8	0	112.2	F499 P500 E519 M520 T525 E526	F499-K523 PolarHBondContact O-NZ 2.92Å; F499-K523 VanDerWaalsContact O-NZ 3.13Å; P500-K523 HydrophobicContact CB-CD 4.13Å; P500-K523 HydrophobicContact CG-CD 3.95Å; E519-K523 PolarHBondContact O-N 2.93Å; M520-K523 PolarHBondContact O-N 3.44Å; K523-T525 VanDerWaalsContact C-N 3.26Å; K523-T525 PolarHBondContact O-N 3.39Å; K523-E526 WeakPolarHBondContact O-CB 3.22Å; K523-E526 PolarHBondContact O-N 3.32Å
524	F	96.3	Very high	92.6	Very high	46 Å²	46	63 Å²	63	20%	0.202	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-31	178.2	-179	-91.7	0	0	0	113.1	L473 L495 L497 M520 L521 A522 L561	L473-F524 HydrophobicContact CD1-CE1 4.39Å; L473-F524 HydrophobicContact CD1-CZ 3.99Å; L473-F524 HydrophobicContact CD2-CE1 3.89Å; L473-F524 HydrophobicContact CD2-CZ 4.33Å; L495-F524 HydrophobicContact CD2-CE1 3.97Å; L495-F524 HydrophobicContact CD2-CZ 3.9Å; L497-F524 HydrophobicContact CD2-CB 3.97Å; L497-F524 HydrophobicContact CD2-CD2 4.09Å; L497-F524 HydrophobicContact CD2-CG 4.04Å; M520-F524 WeakPolarHBondContact O-CB 3.37Å; M520-F524 PolarHBondContact O-N 3.34Å; L521-F524 WeakPolarHBondContact O-CB 3.25Å; L521-F524 PolarHBondContact O-N 3.25Å; A522-F524 VanDerWaalsContact C-N 3.29Å; A522-F524 PolarHBondContact O-N 2.97Å; F524-L561 HydrophobicContact CE1-CB 4.41Å; F524-L561 HydrophobicContact CE1-CD1 4.43Å; F524-L561 HydrophobicContact CE2-CD1 4.38Å; F524-L561 HydrophobicContact CZ-CD1 4.04Å
525	T	96.1	Very high	93.1	Very high	15 Å²	15	60.6 Å²	60.6	9%	0.092	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	7.8	-179.2	54.1	0	0	0	0	113.8	L521 A522 K523 Q560 L561 Y603	L521-T525 PolarHBondContact O-N 2.84Å; L521-T525 VanDerWaalsContact O-N 3.08Å; L521-T525 PolarHBondContact O-OG1 3.44Å; A522-T525 CarbonylContact O-C 3.47Å; A522-T525 PolarHBondContact O-N 3.3Å; A522-T525 VanDerWaalsContact O-N 3.17Å; A522-T525 PolarHBondContact O-OG1 2.92Å; K523-T525 VanDerWaalsContact C-N 3.26Å; K523-T525 PolarHBondContact O-N 3.39Å; T525-Q560 WeakPolarHBondContact O-CG 3.17Å; T525-Q560 PolarHBondContact O-NE2 2.9Å; T525-L561 VanDerWaalsContact CA-O 3.24Å; T525-L561 WeakPolarHBondContact CA-O 3.4Å; T525-L561 WeakPolarHBondContact CB-O 3.43Å; T525-L561 WeakPolarHBondContact CG2-O 3.31Å; T525-Y603 HydrophobicContact CG2-CD1 4.44Å
526	E	95.4	Very high	93.1	Very high	127 Å²	127	63.6 Å²	63.6	59%	0.593	34%	0.344	S	S	*	.	S	Bend	trans	-67.6	150.3	177	-172.3	169.3	-155	0	0	110.4	A522 K523 E528	A522-E526 PolarHBondContact O-N 2.71Å; K523-E526 WeakPolarHBondContact O-CB 3.22Å; K523-E526 PolarHBondContact O-N 3.32Å; E526-E528 PolarHBondContact O-N 3.38Å
527	T	95.4	Very high	92.9	Very high	59 Å²	59	60.3 Å²	60.3	36%	0.362	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.4	173.2	-57.2	0	0	0	0	109.2	Q558 K559	T527-Q558 HydrophobicContact CG2-CB 3.82Å; T527-Q558 HydrophobicContact CG2-CG 3.88Å; T527-K559 CarbonylContact C-O 3.51Å; T527-K559 WeakPolarHBondContact CA-O 3.21Å
528	E	94.1	Very high	92.5	Very high	105 Å²	105	64.7 Å²	64.7	49%	0.491	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.6	177.4	63.3	-179.9	174.5	0	0	111.1	E526 Q558 K559	E526-E528 PolarHBondContact O-N 3.38Å; E528-Q558 CarbonylContact O-C 3.53Å; E528-Q558 VanDerWaalsContact O-CA 3.28Å; E528-Q558 WeakPolarHBondContact O-CA 3.43Å; E528-K559 HydrophobicContact CG-CB 4.12Å; E528-K559 PolarHBondContact N-O 3Å; E528-K559 PolarHBondContact O-N 3.19Å
529	A	92.5	Very high	92.1	Very high	78 Å²	78	66 Å²	66	65%	0.645	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	132.6	172.1	0	0	0	0	0	109.7	E531	A529-E531 PolarHBondContact O-N 3.08Å
530	L	91.4	Very high	91.8	Very high	42 Å²	42	64.4 Å²	64.4	22%	0.22	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-73.3	117.4	168.9	-62.2	-177.7	0	0	0	108.2	V477 G532 I534 A557 K559	V477-L530 HydrophobicContact CG1-CD1 4.29Å; L530-G532 PolarHBondContact O-N 3.42Å; L530-G532 VanDerWaalsContact O-N 3.1Å; L530-I534 HydrophobicContact CB-CD1 4.1Å; L530-I534 HydrophobicContact CB-CG1 4.19Å; L530-A557 VanDerWaalsContact CB-O 3.28Å; L530-A557 WeakPolarHBondContact CB-O 3.33Å; L530-A557 HydrophobicContact CD1-CB 4.13Å; L530-A557 PolarHBondContact N-O 3.32Å; L530-K559 HydrophobicContact CD2-CB 3.96Å; L530-K559 HydrophobicContact CD2-CD 4.42Å; L530-K559 HydrophobicContact CG-CB 4.29Å
531	E	84.2	Confident	91.3	Very high	184 Å²	184	64.6 Å²	64.6	86%	0.86	35%	0.348	S	S	*	.	S	Bend	trans	-62.9	113.7	-176.7	-69.3	-174.7	175.9	0	0	111.4	A529	A529-E531 PolarHBondContact O-N 3.08Å
532	G	84.5	Confident	90.8	Very high	41 Å²	41	66.9 Å²	66.9	42%	0.423	36%	0.364	S	S	.	.	S	Bend	trans	84.6	179.6	177.2	0	0	0	0	0	115.1	L530 I534	L530-G532 PolarHBondContact O-N 3.42Å; L530-G532 VanDerWaalsContact O-N 3.1Å; G532-I534 VanDerWaalsContact C-N 3.35Å; G532-I534 PolarHBondContact O-N 2.9Å
533	K	86.2	Confident	89.9	Confident	136 Å²	136	71.1 Å²	71.1	59%	0.591	37%	0.374	S	S	*	.	S	Bend	trans	-83.7	80.3	178.7	-70.3	173.2	-174.4	173.9	0	109.3	L554 E556	K533-L554 HydrophobicContact CB-CB 4.07Å; K533-L554 WeakPolarHBondContact O-CB 3.32Å; K533-L554 WeakPolarHBondContact O-CD1 3.47Å; K533-E556 HydrophobicContact CG-CG 3.72Å
534	I	89.7	Confident	88.9	Confident	106 Å²	106	74.2 Å²	74.2	54%	0.544	38%	0.384	S	S	.	.			trans	-113.4	-14.5	-178.5	65.2	171	0	0	0	113.6	L530 G532	L530-I534 HydrophobicContact CB-CD1 4.1Å; L530-I534 HydrophobicContact CB-CG1 4.19Å; G532-I534 VanDerWaalsContact C-N 3.35Å; G532-I534 PolarHBondContact O-N 2.9Å
535	Y	90.7	Very high	87.7	Confident	34 Å²	34	79.7 Å²	79.7	13%	0.133	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-91.9	124.2	-172.6	176.1	-112.9	0	0	0	112.8	V477 C479 S486 C537 T555 A557	V477-Y535 HydrophobicContact CB-CE2 4.35Å; V477-Y535 HydrophobicContact CG1-CD1 4.33Å; V477-Y535 HydrophobicContact CG1-CD2 3.76Å; V477-Y535 HydrophobicContact CG1-CE1 4.24Å; V477-Y535 HydrophobicContact CG1-CE2 3.68Å; V477-Y535 HydrophobicContact CG1-CG 4.09Å; C479-Y535 HydrophobicContact CB-CD1 4.37Å; C479-Y535 HydrophobicContact CB-CE1 3.97Å; S486-Y535 PolarHBondContact OG-OH 3.21Å; Y535-C537 HydrophobicContact CD1-CB 3.99Å; Y535-C537 HydrophobicContact CE1-CB 3.57Å; Y535-C537 PolarHBondContact O-N 2.79Å; Y535-T555 WeakPolarHBondContact CB-O 3.32Å; Y535-T555 WeakPolarHBondContact CD1-OG1 3.44Å; Y535-T555 PolarHBondContact N-O 3.3Å; Y535-T555 VanDerWaalsContact N-O 3.1Å; Y535-T555 PolarHBondContact O-N 3.48Å; Y535-T555 PolarHBondContact O-OG1 3.34Å; Y535-A557 HydrophobicContact CD1-CB 3.6Å; Y535-A557 HydrophobicContact CE1-CB 4.43Å; Y535-A557 HydrophobicContact CG-CB 3.71Å
536	V	91	Very high	86.3	Confident	65 Å²	65	89 Å²	89	39%	0.394	44%	0.437	S	S	.	.			trans	-85.3	96.2	173.7	-178.3	0	0	0	0	109.2	D538 V552 L554	V536-D538 PolarHBondContact O-N 3.45Å; V536-V552 HydrophobicContact CB-CG1 4.5Å; V536-V552 HydrophobicContact CG1-CG1 3.66Å; V536-V552 HydrophobicContact CG2-CG1 4.08Å; V536-L554 HydrophobicContact CG2-CD2 3.43Å; V536-L554 VanDerWaalsContact CG2-CD2 3.43Å
537	C	90.7	Very high	84.7	Confident	0 Å²	0	91.6 Å²	91.6	0%	0	45%	0.447	C	S	.	.			trans	-79.4	122.2	177.3	179.3	0	0	0	0	111.7	C479 Y535 Q539 C540 N541	C479-C537 HydrophobicContact CB-CB 4.25Å; Y535-C537 HydrophobicContact CD1-CB 3.99Å; Y535-C537 HydrophobicContact CE1-CB 3.57Å; Y535-C537 PolarHBondContact O-N 2.79Å; C537-Q539 PolarHBondContact O-N 2.8Å; C537-C540 HydrophobicContact CB-CB 3.94Å; C537-C540 PolarHBondContact O-N 2.93Å; C537-N541 WeakPolarHBondContact O-CB 3.37Å; C537-N541 PolarHBondContact O-N 2.98Å; C537-N541 PolarHBondContact O-ND2 3.45Å
538	D	88.8	Confident	83.2	Confident	95 Å²	95	90.9 Å²	90.9	51%	0.508	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-40.1	178.9	-73.4	-34.5	0	0	0	112.9	V536 S542	V536-D538 PolarHBondContact O-N 3.45Å; D538-S542 WeakPolarHBondContact O-CA 3.5Å; D538-S542 WeakPolarHBondContact O-CB 3.28Å; D538-S542 PolarHBondContact O-N 2.85Å; D538-S542 PolarHBondContact O-OG 2.78Å
539	Q	88.4	Confident	82.1	Confident	88 Å²	88	92 Å²	92	41%	0.411	46%	0.463	S	S	.	.	H	α-helix	trans	-67	-46.3	179.5	-70.4	-67.3	0.8	0	0	112	N484 C537 N541 S542 K543	N484-Q539 HydrophobicContact CB-CB 4.22Å; N484-Q539 HydrophobicContact CB-CG 3.85Å; N484-Q539 VanDerWaalsContact CG-CG 3.44Å; N484-Q539 VanDerWaalsContact OD1-CG 3.24Å; N484-Q539 WeakPolarHBondContact OD1-CG 3.34Å; C537-Q539 PolarHBondContact O-N 2.8Å; Q539-N541 PolarHBondContact O-N 2.85Å; Q539-S542 PolarHBondContact O-N 3.33Å; Q539-K543 WeakPolarHBondContact O-CB 3.41Å; Q539-K543 WeakPolarHBondContact O-CG 3.5Å; Q539-K543 PolarHBondContact O-N 3.1Å
540	C	87.9	Confident	80.9	Confident	28 Å²	28	94.2 Å²	94.2	19%	0.189	46%	0.459	C	S	.	.	H	α-helix	trans	-61.5	-44.9	177.2	-69.8	0	0	0	0	111.5	C537 R544 T555	C537-C540 HydrophobicContact CB-CB 3.94Å; C537-C540 PolarHBondContact O-N 2.93Å; C540-R544 PolarHBondContact O-N 3.21Å; C540-T555 HydrophobicContact CB-CG2 4.47Å
541	N	87.3	Confident	80.2	Confident	4 Å²	4	97.1 Å²	97.1	2%	0.021	48%	0.48	C	S	.	.	H	α-helix	trans	-76.9	-29.2	-177.8	-75.4	-73.1	0	0	0	113	C537 Q539 R544 R545 V553	C537-N541 WeakPolarHBondContact O-CB 3.37Å; C537-N541 PolarHBondContact O-N 2.98Å; C537-N541 PolarHBondContact O-ND2 3.45Å; Q539-N541 PolarHBondContact O-N 2.85Å; N541-R544 PolarHBondContact O-N 2.89Å; N541-R545 WeakPolarHBondContact O-CB 3.49Å; N541-R545 WeakPolarHBondContact O-CG 3.4Å; N541-R545 PolarHBondContact O-N 3.08Å; N541-V553 PolarHBondContact ND2-O 2.87Å; N541-V553 PolarHBondContact OD1-N 3.43Å
542	S	85.3	Confident	80.2	Confident	49 Å²	49	92.7 Å²	92.7	34%	0.343	47%	0.465	S	S	.	.	H	α-helix	trans	-69.7	-42.3	173.4	-64.6	0	0	0	0	111.6	D538 Q539 R544 R545 R546	D538-S542 WeakPolarHBondContact O-CA 3.5Å; D538-S542 WeakPolarHBondContact O-CB 3.28Å; D538-S542 PolarHBondContact O-N 2.85Å; D538-S542 PolarHBondContact O-OG 2.78Å; Q539-S542 PolarHBondContact O-N 3.33Å; S542-R544 VanDerWaalsContact C-N 3.29Å; S542-R544 PolarHBondContact O-N 3.26Å; S542-R545 PolarHBondContact O-N 3.46Å; S542-R546 PolarHBondContact O-N 3.46Å
543	K	78.1	Confident	80.2	Confident	136 Å²	136	92.7 Å²	92.7	59%	0.591	46%	0.457	S	S	*	.	H	α-helix	trans	-61	-38.1	172.9	-72.7	176.5	-176.9	178.2	0	111.6	Q539 F547	Q539-K543 WeakPolarHBondContact O-CB 3.41Å; Q539-K543 WeakPolarHBondContact O-CG 3.5Å; Q539-K543 PolarHBondContact O-N 3.1Å; K543-F547 WeakPolarHBondContact O-CD2 3.33Å
544	R	73.1	Confident	80.4	Confident	121 Å²	121	90 Å²	90	46%	0.457	45%	0.449	S	S	.	.	H	α-helix	trans	-71.1	-43.2	177.5	-116	-178.8	-172.6	-145.6	6.2	113.6	C540 N541 S542 R546 F547 S548	C540-R544 PolarHBondContact O-N 3.21Å; N541-R544 PolarHBondContact O-N 2.89Å; S542-R544 VanDerWaalsContact C-N 3.29Å; S542-R544 PolarHBondContact O-N 3.26Å; R544-R546 PolarHBondContact O-N 3.17Å; R544-F547 PolarHBondContact O-N 2.9Å; R544-F547 VanDerWaalsContact O-N 3.09Å; R544-S548 PolarHBondContact O-N 2.92Å
545	R	71.3	Confident	80.4	Confident	160 Å²	160	85.5 Å²	85.5	60%	0.604	43%	0.426	S	S	*	.	H	α-helix	trans	-61.5	-28.4	-179.6	-88	-173.8	-96.3	178.4	-6.8	113.1	N541 S542 F547	N541-R545 WeakPolarHBondContact O-CB 3.49Å; N541-R545 WeakPolarHBondContact O-CG 3.4Å; N541-R545 PolarHBondContact O-N 3.08Å; S542-R545 PolarHBondContact O-N 3.46Å; R545-F547 PolarHBondContact O-N 2.82Å
546	R	65.5	Low	80.6	Confident	211 Å²	211	88.5 Å²	88.5	80%	0.796	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.5	174.8	-72.8	-174.8	-170.4	-173.7	2.8	114.2	S542 R544	S542-R546 PolarHBondContact O-N 3.46Å; R544-R546 PolarHBondContact O-N 3.17Å
547	F	62.8	Low	80.8	Confident	182 Å²	182	85.5 Å²	85.5	80%	0.798	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-4.1	-173	-67.4	-81.6	0	0	0	114.4	K543 R544 R545	K543-F547 WeakPolarHBondContact O-CD2 3.33Å; R544-F547 PolarHBondContact O-N 2.9Å; R544-F547 VanDerWaalsContact O-N 3.09Å; R545-F547 PolarHBondContact O-N 2.82Å
548	S	63.9	Low	81	Confident	43 Å²	43	88.7 Å²	88.7	30%	0.301	44%	0.438	S	S	.	.			trans	-179.2	151.5	177.3	163.8	0	0	0	0	112.2	R544 K550	R544-S548 PolarHBondContact O-N 2.92Å; S548-K550 PolarHBondContact O-N 3.21Å; S548-K550 WeakPolarHBondContact OG-CD 3.31Å; S548-K550 WeakPolarHBondContact OG-CE 3.45Å; S548-K550 WeakPolarHBondContact OG-CG 3.38Å; S548-K550 PolarHBondContact OG-N 3.4Å
549	S	71.2	Confident	81.4	Confident	129 Å²	129	86.7 Å²	86.7	90%	0.902	43%	0.425	S	S	*	.			trans	-68.7	35.2	166	51.8	0	0	0	0	113.9
550	K	68	Low	81.7	Confident	125 Å²	125	85 Å²	85	54%	0.543	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-68.2	148.3	-177.9	-93.2	157.6	-165.2	-179.6	0	111.3	S548	S548-K550 PolarHBondContact O-N 3.21Å; S548-K550 WeakPolarHBondContact OG-CD 3.31Å; S548-K550 WeakPolarHBondContact OG-CE 3.45Å; S548-K550 WeakPolarHBondContact OG-CG 3.38Å; S548-K550 PolarHBondContact OG-N 3.4Å
551	P	76.1	Confident	82.1	Confident	103 Å²	103	85 Å²	85	67%	0.669	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-59.7	151.1	176.5	24.3	-33	0	0	0	111.9	V553	P551-V553 PolarHBondContact O-N 3.09Å
552	V	83.2	Confident	82.5	Confident	90 Å²	90	86.1 Å²	86.1	55%	0.545	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-56.5	132.8	178	177.2	0	0	0	0	109.8	V536	V536-V552 HydrophobicContact CB-CG1 4.5Å; V536-V552 HydrophobicContact CG1-CG1 3.66Å; V536-V552 HydrophobicContact CG2-CG1 4.08Å
553	V	85.5	Confident	83	Confident	42 Å²	42	83.8 Å²	83.8	26%	0.255	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-97.8	131.9	176.4	-179.7	0	0	0	0	109.6	N541 P551 T555	N541-V553 PolarHBondContact ND2-O 2.87Å; N541-V553 PolarHBondContact OD1-N 3.43Å; P551-V553 PolarHBondContact O-N 3.09Å; V553-T555 HydrophobicContact CG1-CG2 4.44Å
554	L	90.3	Very high	83.6	Confident	80 Å²	80	78.6 Å²	78.6	42%	0.419	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-90.5	136.4	168.1	-52	176.4	0	0	0	109.6	K533 V536	K533-L554 HydrophobicContact CB-CB 4.07Å; K533-L554 WeakPolarHBondContact O-CB 3.32Å; K533-L554 WeakPolarHBondContact O-CD1 3.47Å; V536-L554 HydrophobicContact CG2-CD2 3.43Å; V536-L554 VanDerWaalsContact CG2-CD2 3.43Å
555	T	89.8	Confident	84.5	Confident	11 Å²	11	77.2 Å²	77.2	7%	0.067	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-116.7	155.7	-178.8	51.5	0	0	0	0	109.9	C479 A481 Y535 C540 V553	C479-T555 PolarHBondContact SG-OG1 3.18Å; A481-T555 HydrophobicContact CB-CG2 4.03Å; Y535-T555 WeakPolarHBondContact CB-O 3.32Å; Y535-T555 WeakPolarHBondContact CD1-OG1 3.44Å; Y535-T555 PolarHBondContact N-O 3.3Å; Y535-T555 VanDerWaalsContact N-O 3.1Å; Y535-T555 PolarHBondContact O-N 3.48Å; Y535-T555 PolarHBondContact O-OG1 3.34Å; C540-T555 HydrophobicContact CB-CG2 4.47Å; V553-T555 HydrophobicContact CG1-CG2 4.44Å
556	E	94.3	Very high	85.5	Confident	97 Å²	97	70 Å²	70	45%	0.453	36%	0.357	S	S	.	.			trans	-73.1	143.6	165.3	-61.7	175.2	166.4	0	0	108.3	L480 K533	L480-E556 HydrophobicContact CB-CB 4.4Å; L480-E556 HydrophobicContact CD1-CB 3.99Å; L480-E556 PolarHBondContact N-O 2.92Å; K533-E556 HydrophobicContact CG-CG 3.72Å
557	A	95.1	Very high	86.9	Confident	1 Å²	1	60 Å²	60	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.7	179.6	0	0	0	0	0	109.5	V477 T478 L530 Y535	V477-A557 HydrophobicContact CG1-CB 3.73Å; T478-A557 CarbonylContact O-C 3.47Å; T478-A557 VanDerWaalsContact O-CA 3.23Å; T478-A557 WeakPolarHBondContact O-CA 3.46Å; T478-A557 WeakPolarHBondContact O-CB 3.3Å; L530-A557 VanDerWaalsContact CB-O 3.28Å; L530-A557 WeakPolarHBondContact CB-O 3.33Å; L530-A557 HydrophobicContact CD1-CB 4.13Å; L530-A557 PolarHBondContact N-O 3.32Å; Y535-A557 HydrophobicContact CD1-CB 3.6Å; Y535-A557 HydrophobicContact CE1-CB 4.43Å; Y535-A557 HydrophobicContact CG-CB 3.71Å
558	Q	96.3	Very high	88.3	Confident	67 Å²	67	53.9 Å²	53.9	31%	0.313	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146	171	62.7	-173.6	5.8	0	0	109.2	V477 T478 L480 T527 E528	V477-Q558 CarbonylContact C-O 3.56Å; V477-Q558 WeakPolarHBondContact CA-O 3.34Å; T478-Q558 PolarHBondContact N-O 3.16Å; T478-Q558 PolarHBondContact O-N 3.1Å; L480-Q558 HydrophobicContact CD2-CB 4.46Å; L480-Q558 HydrophobicContact CD2-CG 4.08Å; T527-Q558 HydrophobicContact CG2-CB 3.82Å; T527-Q558 HydrophobicContact CG2-CG 3.88Å; E528-Q558 CarbonylContact O-C 3.53Å; E528-Q558 VanDerWaalsContact O-CA 3.28Å; E528-Q558 WeakPolarHBondContact O-CA 3.43Å
559	K	95.6	Very high	89.8	Confident	54 Å²	54	52 Å²	52	24%	0.235	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.4	179.5	-175.4	-176.2	176.1	-165.8	0	109.3	S475 Q476 V477 T527 E528 L530	S475-K559 VanDerWaalsContact OG-CE 3.26Å; S475-K559 WeakPolarHBondContact OG-CE 3.36Å; Q476-K559 CarbonylContact O-C 3.5Å; Q476-K559 VanDerWaalsContact O-CA 3.31Å; Q476-K559 WeakPolarHBondContact O-CA 3.45Å; V477-K559 HydrophobicContact CG2-CG 4.27Å; T527-K559 CarbonylContact C-O 3.51Å; T527-K559 WeakPolarHBondContact CA-O 3.21Å; E528-K559 HydrophobicContact CG-CB 4.12Å; E528-K559 PolarHBondContact N-O 3Å; E528-K559 PolarHBondContact O-N 3.19Å; L530-K559 HydrophobicContact CD2-CB 3.96Å; L530-K559 HydrophobicContact CD2-CD 4.42Å; L530-K559 HydrophobicContact CG-CB 4.29Å
560	Q	96.2	Very high	91.1	Very high	52 Å²	52	45.8 Å²	45.8	24%	0.243	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137	171.6	-171.2	178.5	24.2	0	0	109.5	Q476 T525 M562	Q476-Q560 PolarHBondContact N-O 2.6Å; Q476-Q560 PolarHBondContact O-N 3.29Å; T525-Q560 WeakPolarHBondContact O-CG 3.17Å; T525-Q560 PolarHBondContact O-NE2 2.9Å; Q560-M562 HydrophobicContact CG-CG 4.22Å
561	L	96.4	Very high	92.5	Very high	29 Å²	29	40.1 Å²	40.1	15%	0.152	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.3	169	-60.4	179	0	0	0	109.2	L474 F524 T525	L474-L561 WeakPolarHBondContact O-CA 3.47Å; F524-L561 HydrophobicContact CE1-CB 4.41Å; F524-L561 HydrophobicContact CE1-CD1 4.43Å; F524-L561 HydrophobicContact CE2-CD1 4.38Å; F524-L561 HydrophobicContact CZ-CD1 4.04Å; T525-L561 VanDerWaalsContact CA-O 3.24Å; T525-L561 WeakPolarHBondContact CA-O 3.4Å; T525-L561 WeakPolarHBondContact CB-O 3.43Å; T525-L561 WeakPolarHBondContact CG2-O 3.31Å
562	M	95.4	Very high	93.5	Very high	26 Å²	26	35.2 Å²	35.2	13%	0.128	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.1	174	-66.7	170	-81.9	0	0	109.5	L473 L474 Q476 Q560 C605	L473-M562 CarbonylContact C-O 3.5Å; L473-M562 VanDerWaalsContact CA-O 3.3Å; L473-M562 WeakPolarHBondContact CA-O 3.47Å; L474-M562 HydrophobicContact CB-CB 4.47Å; L474-M562 HydrophobicContact CD2-CE 3.81Å; L474-M562 HydrophobicContact CG-CE 4.29Å; L474-M562 PolarHBondContact N-O 3.05Å; L474-M562 PolarHBondContact O-N 2.75Å; Q476-M562 HydrophobicContact CB-CE 3.98Å; Q560-M562 HydrophobicContact CG-CG 4.22Å; M562-C605 HydrophobicContact CB-CB 4.03Å; M562-C605 HydrophobicContact SD-CB 4.13Å
563	I	95	Very high	94.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.5	176.6	-59.1	167.2	0	0	0	109	L473 F492 L495 L566 M600 Y603 C604 C605	L473-I563 HydrophobicContact CD2-CG1 3.85Å; F492-I563 HydrophobicContact CE1-CG2 4.36Å; F492-I563 HydrophobicContact CZ-CG2 4.43Å; L495-I563 HydrophobicContact CD1-CD1 3.91Å; I563-L566 HydrophobicContact CG2-CD2 3.79Å; I563-L566 HydrophobicContact CG2-CG 4Å; I563-M600 HydrophobicContact CD1-CE 3.32Å; I563-Y603 PolarHBondContact N-O 2.95Å; I563-C604 CarbonylContact O-C 3.51Å; I563-C604 WeakPolarHBondContact O-CA 3.45Å; I563-C605 PolarHBondContact O-N 3.28Å
564	C	91.8	Very high	94.7	Very high	27 Å²	27	29.8 Å²	29.8	18%	0.182	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-30.5	176.1	61.3	0	0	0	0	112.8	Q472 L474 C605 T608	Q472-C564 VanDerWaalsContact C-SG 3.54Å; Q472-C564 WeakPolarHBondContact CB-SG 3.12Å; Q472-C564 PolarHBondContact O-N 3.2Å; Q472-C564 PolarHBondContact O-SG 3.2Å; L474-C564 HydrophobicContact CB-CB 4.33Å; C564-C605 VanDerWaalsContact CB-SG 3.54Å; C564-T608 WeakPolarHBondContact CA-OG1 3.19Å; C564-T608 WeakPolarHBondContact O-CG2 3.29Å; C564-T608 PolarHBondContact O-OG1 2.87Å
565	H	91.4	Very high	94.9	Very high	91 Å²	91	29.8 Å²	29.8	42%	0.421	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.5	172.7	-171.5	72.5	0	0	0	110.3	G471 Q472	G471-H565 CarbonylContact C-O 3.59Å; G471-H565 WeakPolarHBondContact CA-O 3.36Å; Q472-H565 HydrophobicContact CB-CB 3.71Å; Q472-H565 HydrophobicContact CG-CB 3.9Å; Q472-H565 PolarHBondContact N-O 3.14Å; Q472-H565 PolarHBondContact O-N 3.25Å
566	L	92.8	Very high	95	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.052	14%	0.139	C	C	.	.			trans	-93.2	133.3	-177.6	-85.4	171.7	0	0	0	110.9	I563 M600 F617 Y619	I563-L566 HydrophobicContact CG2-CD2 3.79Å; I563-L566 HydrophobicContact CG2-CG 4Å; L566-M600 HydrophobicContact CD1-CB 4.22Å; L566-M600 HydrophobicContact CD2-CB 3.9Å; L566-M600 HydrophobicContact CD2-CE 4.29Å; L566-M600 HydrophobicContact CD2-CG 4.21Å; L566-F617 HydrophobicContact CD1-CD1 3.71Å; L566-F617 HydrophobicContact CD1-CE1 4.12Å; L566-Y619 WeakPolarHBondContact CB-OH 3.28Å; L566-Y619 HydrophobicContact CD1-CE2 4.37Å; L566-Y619 HydrophobicContact CD2-CE2 4.35Å
567	P	93.8	Very high	94.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	13%	0.129	C	C	.	.			trans	-75.8	154.5	178.2	31.6	-36.1	0	0	0	112	F469 H470 F492 V569 L570 Y619	F469-P567 WeakPolarHBondContact O-CB 3.08Å; H470-P567 WeakPolarHBondContact O-CA 3.42Å; H470-P567 WeakPolarHBondContact O-CB 3.44Å; F492-P567 HydrophobicContact CE2-CG 4.22Å; F492-P567 HydrophobicContact CZ-CG 4.37Å; P567-V569 VanDerWaalsContact C-N 3.3Å; P567-V569 PolarHBondContact O-N 2.99Å; P567-L570 HydrophobicContact CG-CB 4.11Å; P567-L570 HydrophobicContact CG-CD1 3.79Å; P567-Y619 WeakPolarHBondContact O-CE1 3.25Å; P567-Y619 PolarHBondContact O-OH 2.89Å
568	Q	92.6	Very high	94.2	Very high	52 Å²	52	30.1 Å²	30.1	24%	0.243	14%	0.139	C	C	.	.	S	Bend	trans	-63.9	-36.6	174.6	-177.4	172	60.3	0	0	112.5	I296 I468 Q677	I296-Q568 HydrophobicContact CD1-CG 4.16Å; I468-Q568 HydrophobicContact CG1-CB 4.49Å; I468-Q568 PolarHBondContact O-N 2.83Å; Q568-Q677 WeakPolarHBondContact O-CB 3.27Å; Q568-Q677 PolarHBondContact O-N 3.31Å
569	V	95.9	Very high	93.5	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	109.6	170.5	-177.1	0	0	0	0	108.5	L294 I468 F469 P567 F674 Y675 T676	L294-V569 HydrophobicContact CD1-CG1 4.27Å; L294-V569 HydrophobicContact CD2-CG1 4.03Å; L294-V569 HydrophobicContact CD2-CG2 4.5Å; I468-V569 HydrophobicContact CD1-CG2 3.92Å; I468-V569 HydrophobicContact CG1-CB 4.17Å; I468-V569 HydrophobicContact CG1-CG2 3.64Å; I468-V569 PolarHBondContact O-N 3.34Å; F469-V569 HydrophobicContact CD1-CB 3.88Å; F469-V569 HydrophobicContact CD1-CG1 4.03Å; F469-V569 WeakPolarHBondContact CD1-O 3.34Å; F469-V569 HydrophobicContact CE1-CB 3.79Å; F469-V569 HydrophobicContact CE1-CG1 3.61Å; P567-V569 VanDerWaalsContact C-N 3.3Å; P567-V569 PolarHBondContact O-N 2.99Å; V569-F674 HydrophobicContact CG1-CD1 4.3Å; V569-Y675 CarbonylContact C-O 3.54Å; V569-Y675 VanDerWaalsContact CA-O 3.26Å; V569-Y675 WeakPolarHBondContact CA-O 3.41Å; V569-T676 HydrophobicContact CG2-CG2 4.37Å
570	L	96.9	Very high	92.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.6	176.4	-178.4	67.1	0	0	0	110.2	F492 L495 P567 L572 L598 M600 Y619 F674 Y675	F492-L570 HydrophobicContact CE2-CD1 4.28Å; L495-L570 HydrophobicContact CD1-CD1 3.95Å; L495-L570 HydrophobicContact CG-CD1 4.37Å; P567-L570 HydrophobicContact CG-CB 4.11Å; P567-L570 HydrophobicContact CG-CD1 3.79Å; L570-L572 HydrophobicContact CD1-CD2 4.08Å; L570-L572 HydrophobicContact CD2-CD1 4.47Å; L570-L572 HydrophobicContact CD2-CD2 3.89Å; L570-L572 HydrophobicContact CD2-CG 4.27Å; L570-L572 HydrophobicContact CG-CD2 3.79Å; L570-L572 HydrophobicContact CG-CG 4.19Å; L570-L598 HydrophobicContact CD2-CD2 4.13Å; L570-M600 HydrophobicContact CD2-CE 3.74Å; L570-M600 HydrophobicContact CD2-CG 3.89Å; L570-M600 HydrophobicContact CD2-SD 3.52Å; L570-M600 VanDerWaalsContact CD2-SD 3.52Å; L570-Y619 HydrophobicContact CB-CD1 3.97Å; L570-Y619 HydrophobicContact CB-CE1 3.75Å; L570-F674 WeakPolarHBondContact O-CA 3.27Å; L570-Y675 PolarHBondContact N-O 2.91Å; L570-Y675 PolarHBondContact O-N 2.87Å
571	R	97.4	Very high	91.3	Very high	5 Å²	5	34 Å²	34	2%	0.019	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.4	175	-75.2	171.3	52.1	-166.3	-8.1	109.9	L428 C429 F469 D494 L495 L673 F674	L428-R571 VanDerWaalsContact CD2-CZ 3.47Å; C429-R571 PolarHBondContact SG-NH2 3.11Å; F469-R571 HydrophobicContact CD1-CG 3.67Å; F469-R571 HydrophobicContact CE1-CG 3.89Å; D494-R571 WeakPolarHBondContact CA-O 3.17Å; D494-R571 HydrophobicContact CB-CB 3.97Å; D494-R571 IonicContact OD1-NH2 3.59Å; L495-R571 PolarHBondContact N-O 3.49Å; R571-L673 WeakPolarHBondContact CA-O 3.26Å; R571-F674 HydrophobicContact CG-CD1 3.72Å; R571-F674 HydrophobicContact CG-CE1 3.57Å; R571-F674 HydrophobicContact CG-CZ 4.37Å
572	L	98.2	Very high	90	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.2	174.3	-52	179.5	0	0	0	109.1	L495 L497 V517 L521 L570 L598 I672 L673 Y675	L495-L572 HydrophobicContact CB-CD2 3.86Å; L495-L572 HydrophobicContact CD1-CD2 3.93Å; L495-L572 HydrophobicContact CG-CD2 4.32Å; L497-L572 HydrophobicContact CD1-CB 4.22Å; L497-L572 HydrophobicContact CD1-CD1 4.42Å; L497-L572 HydrophobicContact CD1-CD2 4.36Å; V517-L572 HydrophobicContact CG1-CD1 3.57Å; L521-L572 HydrophobicContact CD1-CD1 4.37Å; L521-L572 HydrophobicContact CD2-CD2 4.11Å; L570-L572 HydrophobicContact CD1-CD2 4.08Å; L570-L572 HydrophobicContact CD2-CD1 4.47Å; L570-L572 HydrophobicContact CD2-CD2 3.89Å; L570-L572 HydrophobicContact CD2-CG 4.27Å; L570-L572 HydrophobicContact CG-CD2 3.79Å; L570-L572 HydrophobicContact CG-CG 4.19Å; L572-L598 HydrophobicContact CD1-CD2 3.94Å; L572-I672 CarbonylContact O-C 3.57Å; L572-I672 WeakPolarHBondContact O-CA 3.47Å; L572-L673 HydrophobicContact CB-CB 4.23Å; L572-L673 PolarHBondContact N-O 3.32Å; L572-L673 PolarHBondContact O-N 2.84Å; L572-Y675 HydrophobicContact CD1-CD2 4.12Å; L572-Y675 HydrophobicContact CD1-CE2 4.07Å
573	H	97.8	Very high	88.6	Confident	19 Å²	19	50 Å²	50	9%	0.088	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125	174.6	164.3	-126.7	0	0	0	109.2	Q425 L495 S496 L497 Y671	Q425-H573 HydrophobicContact CG-CB 4.23Å; L495-H573 PolarHBondContact O-N 2.98Å; S496-H573 CarbonylContact C-O 3.57Å; S496-H573 WeakPolarHBondContact CA-O 3.26Å; S496-H573 PolarHBondContact OG-ND1 2.96Å; L497-H573 PolarHBondContact N-O 3.46Å; H573-Y671 AromaticContact CD2-CE2 3.78Å; H573-Y671 AromaticContact CD2-CZ 3.75Å; H573-Y671 AromaticContact NE2-CE2 3.48Å; H573-Y671 WeakPolarHBondContact NE2-CE2 3.33Å; H573-Y671 AromaticContact NE2-CZ 3.51Å; H573-Y671 PolarHBondContact NE2-OH 2.98Å; H573-Y671 VanDerWaalsContact NE2-OH 3.13Å
574	L	96.5	Very high	87.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.5	178.3	-51	-170.3	0	0	0	109	L497 F499 M520 R576 V592 A670 Y671	L497-L574 HydrophobicContact CB-CD2 4.27Å; L497-L574 HydrophobicContact CD1-CD2 4.06Å; F499-L574 HydrophobicContact CE2-CB 4.31Å; F499-L574 HydrophobicContact CZ-CB 4.42Å; M520-L574 HydrophobicContact CE-CD2 4Å; M520-L574 HydrophobicContact SD-CD2 4Å; L574-R576 HydrophobicContact CB-CG 4.28Å; L574-R576 PolarHBondContact O-N 2.94Å; L574-V592 HydrophobicContact CD1-CB 3.92Å; L574-V592 HydrophobicContact CD1-CG1 4.13Å; L574-V592 HydrophobicContact CD1-CG2 3.93Å; L574-A670 HydrophobicContact CD1-CB 4.31Å; L574-A670 WeakPolarHBondContact CD1-O 3.38Å; L574-Y671 PolarHBondContact N-O 3.03Å
575	K	94.1	Very high	87	Confident	79 Å²	79	58.9 Å²	58.9	34%	0.343	28%	0.279	S	S	.	.			trans	-69.4	71.3	-179	-65.7	-168.2	-168.1	170.7	0	111.9	S496 L497 E498 F499 F577	S496-K575 WeakPolarHBondContact O-CE 3.03Å; L497-K575 WeakPolarHBondContact O-CB 3.23Å; L497-K575 PolarHBondContact O-N 2.67Å; E498-K575 HydrophobicContact CG-CD 3.73Å; E498-K575 IonicContact OE1-NZ 3.98Å; E498-K575 PolarHBondContact OE1-NZ 2.79Å; F499-K575 WeakPolarHBondContact CD2-O 3.42Å; K575-F577 VanDerWaalsContact C-N 3.32Å; K575-F577 PolarHBondContact O-N 3.42Å
576	R	91.3	Very high	86.6	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.015	27%	0.269	C	S	.	.			trans	-75.4	-18.4	-175.4	-73.2	-173.7	177.5	-81	-0.9	113.6	F499 L574 K587 I588 V590 A670	F499-R576 HydrophobicContact CE2-CB 4.45Å; F499-R576 HydrophobicContact CE2-CG 3.78Å; F499-R576 HydrophobicContact CZ-CG 3.83Å; L574-R576 HydrophobicContact CB-CG 4.28Å; L574-R576 PolarHBondContact O-N 2.94Å; R576-K587 HydrophobicContact CB-CG 4.46Å; R576-K587 CarbonylContact O-C 3.54Å; R576-K587 VanDerWaalsContact O-CA 3.31Å; R576-K587 WeakPolarHBondContact O-CA 3.43Å; R576-I588 PolarHBondContact NH1-O 3.07Å; R576-I588 VanDerWaalsContact NH1-O 3.1Å; R576-I588 PolarHBondContact O-N 3.07Å; R576-V590 PolarHBondContact NH1-O 2.85Å; R576-A670 PolarHBondContact NE-O 3.26Å; R576-A670 PolarHBondContact NH2-O 3.15Å
577	F	88.7	Confident	86.4	Confident	55 Å²	55	58.3 Å²	58.3	24%	0.241	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.8	179.2	-59.4	-78.3	0	0	0	109.7	K575 E586 K587 H627 F632 Y671	K575-F577 VanDerWaalsContact C-N 3.32Å; K575-F577 PolarHBondContact O-N 3.42Å; F577-E586 WeakPolarHBondContact CA-O 3.44Å; F577-K587 HydrophobicContact CD1-CB 4.01Å; F577-K587 HydrophobicContact CD1-CG 4.23Å; F577-K587 HydrophobicContact CE1-CB 3.95Å; F577-K587 HydrophobicContact CE1-CD 3.97Å; F577-K587 HydrophobicContact CE1-CG 3.93Å; F577-K587 HydrophobicContact CZ-CD 4.34Å; F577-H627 AromaticContact CZ-CE1 3.58Å; F577-H627 AromaticContact CZ-ND1 3.44Å; F577-H627 WeakPolarHBondContact CZ-ND1 3.29Å; F577-F632 HydrophobicContact CD1-CB 3.96Å; F577-F632 HydrophobicContact CE1-CB 4.07Å; F577-Y671 HydrophobicContact CD2-CE2 4.41Å; F577-Y671 HydrophobicContact CE2-CE2 4.1Å
578	R	84.8	Confident	86.2	Confident	57 Å²	57	58.8 Å²	58.8	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.4	176.1	65.5	169.1	-174.7	67.8	5.8	111.5	Q504 R585 E586 I588	Q504-R578 PolarHBondContact O-NE 3.38Å; Q504-R578 PolarHBondContact O-NH2 3.08Å; R578-R585 WeakPolarHBondContact O-CA 3.37Å; R578-E586 HydrophobicContact CG-CG 4.03Å; R578-E586 IonicContact CZ-OE1 3.29Å; R578-E586 PolarHBondContact N-O 3.4Å; R578-E586 IonicContact NH1-OE1 3.32Å; R578-E586 PolarHBondContact NH1-OE1 2.91Å; R578-E586 IonicContact NH2-OE1 3.68Å; R578-E586 PolarHBondContact NH2-OE1 2.95Å; R578-E586 IonicContact NH2-OE2 3.3Å; R578-E586 PolarHBondContact NH2-OE2 3.36Å; R578-E586 PolarHBondContact O-N 2.86Å; R578-I588 HydrophobicContact CG-CD1 4.33Å; R578-I588 HydrophobicContact CG-CG1 4.4Å
579	W	80.8	Confident	85.9	Confident	152 Å²	152	59.2 Å²	59.2	58%	0.576	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	134.9	168	-70.3	92	0	0	0	109.6	R585	W579-R585 HydrophobicContact CD2-CG 4.01Å; W579-R585 HydrophobicContact CE3-CG 3.91Å; W579-R585 HydrophobicContact CH2-CG 4.29Å; W579-R585 HydrophobicContact CZ2-CG 4.37Å; W579-R585 VanDerWaalsContact CZ2-NH2 3.26Å; W579-R585 HydrophobicContact CZ3-CG 4.05Å
580	S	76.1	Confident	85.6	Confident	36 Å²	36	61.4 Å²	61.4	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	150.5	169.7	-157.1	0	0	0	0	108.7	R582 N584 E586	S580-R582 PolarHBondContact O-N 3.25Å; S580-N584 WeakPolarHBondContact CA-O 2.96Å; S580-N584 VanDerWaalsContact CB-O 3.26Å; S580-N584 WeakPolarHBondContact CB-O 3.32Å; S580-N584 PolarHBondContact N-O 3.5Å; S580-E586 WeakPolarHBondContact CB-OE1 3.43Å; S580-E586 PolarHBondContact OG-OE1 2.81Å
581	G	68.6	Low	85.4	Confident	67 Å²	67	64.7 Å²	64.7	69%	0.691	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	137.8	175.2	0	0	0	0	0	111.1
582	R	69.5	Low	85.3	Confident	247 Å²	247	64.5 Å²	64.5	93%	0.932	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	42.1	-171	-47.4	176.9	-177.2	179.2	0.8	115.7	S580 N584	S580-R582 PolarHBondContact O-N 3.25Å; R582-N584 PolarHBondContact O-N 3.3Å
583	N	66.8	Low	85.2	Confident	145 Å²	145	65.3 Å²	65.3	78%	0.775	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	16.9	172.1	-92.7	9.1	0	0	0	115.8
584	N	73.9	Confident	85.2	Confident	102 Å²	102	64.9 Å²	64.9	55%	0.545	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.6	177.7	-168.3	32.5	0	0	0	109.6	S580 R582	S580-N584 WeakPolarHBondContact CA-O 2.96Å; S580-N584 VanDerWaalsContact CB-O 3.26Å; S580-N584 WeakPolarHBondContact CB-O 3.32Å; S580-N584 PolarHBondContact N-O 3.5Å; R582-N584 PolarHBondContact O-N 3.3Å
585	R	79.3	Confident	85.2	Confident	111 Å²	111	71.6 Å²	71.6	42%	0.419	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.6	173	-66.7	-179.7	-174.8	-179.1	1.7	108.8	R578 W579 F632	R578-R585 WeakPolarHBondContact O-CA 3.37Å; W579-R585 HydrophobicContact CD2-CG 4.01Å; W579-R585 HydrophobicContact CE3-CG 3.91Å; W579-R585 HydrophobicContact CH2-CG 4.29Å; W579-R585 HydrophobicContact CZ2-CG 4.37Å; W579-R585 VanDerWaalsContact CZ2-NH2 3.26Å; W579-R585 HydrophobicContact CZ3-CG 4.05Å; R585-F632 HydrophobicContact CB-CD1 3.63Å; R585-F632 HydrophobicContact CB-CE1 4.07Å; R585-F632 HydrophobicContact CB-CG 4.21Å; R585-F632 HydrophobicContact CG-CD1 4.4Å
586	E	83.6	Confident	85.2	Confident	46 Å²	46	72.7 Å²	72.7	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.5	179.4	68.6	-175.2	125.6	0	0	112.4	F577 R578 S580	F577-E586 WeakPolarHBondContact CA-O 3.44Å; R578-E586 HydrophobicContact CG-CG 4.03Å; R578-E586 IonicContact CZ-OE1 3.29Å; R578-E586 PolarHBondContact N-O 3.4Å; R578-E586 IonicContact NH1-OE1 3.32Å; R578-E586 PolarHBondContact NH1-OE1 2.91Å; R578-E586 IonicContact NH2-OE1 3.68Å; R578-E586 PolarHBondContact NH2-OE1 2.95Å; R578-E586 IonicContact NH2-OE2 3.3Å; R578-E586 PolarHBondContact NH2-OE2 3.36Å; R578-E586 PolarHBondContact O-N 2.86Å; S580-E586 WeakPolarHBondContact CB-OE1 3.43Å; S580-E586 PolarHBondContact OG-OE1 2.81Å
587	K	88.9	Confident	85.5	Confident	43 Å²	43	76.1 Å²	76.1	19%	0.187	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.5	176.9	-176.9	-178.1	173.7	-175.9	0	109.6	R576 F577 G589 H627 G629	R576-K587 HydrophobicContact CB-CG 4.46Å; R576-K587 CarbonylContact O-C 3.54Å; R576-K587 VanDerWaalsContact O-CA 3.31Å; R576-K587 WeakPolarHBondContact O-CA 3.43Å; F577-K587 HydrophobicContact CD1-CB 4.01Å; F577-K587 HydrophobicContact CD1-CG 4.23Å; F577-K587 HydrophobicContact CE1-CB 3.95Å; F577-K587 HydrophobicContact CE1-CD 3.97Å; F577-K587 HydrophobicContact CE1-CG 3.93Å; F577-K587 HydrophobicContact CZ-CD 4.34Å; K587-G589 PolarHBondContact O-N 3.22Å; K587-H627 PolarHBondContact NZ-ND1 2.96Å; K587-H627 PolarHBondContact NZ-O 3.41Å; K587-G629 WeakPolarHBondContact CD-O 3.36Å; K587-G629 PolarHBondContact NZ-O 3.19Å
588	I	87.8	Confident	85.9	Confident	12 Å²	12	73.9 Å²	73.9	6%	0.062	38%	0.376	C	S	.	.			trans	-73.1	108.9	172.9	-57.3	173.1	0	0	0	108.4	F499 R576 R578 V590	F499-I588 HydrophobicContact CB-CD1 3.93Å; F499-I588 HydrophobicContact CD1-CD1 4.46Å; F499-I588 HydrophobicContact CD1-CG2 3.82Å; F499-I588 HydrophobicContact CD2-CD1 3.58Å; F499-I588 HydrophobicContact CD2-CG2 4.43Å; F499-I588 HydrophobicContact CE1-CG2 3.79Å; F499-I588 HydrophobicContact CE2-CB 4.44Å; F499-I588 HydrophobicContact CE2-CD1 4.23Å; F499-I588 HydrophobicContact CE2-CG2 4.42Å; F499-I588 HydrophobicContact CG-CD1 3.72Å; F499-I588 HydrophobicContact CG-CG2 4.15Å; F499-I588 HydrophobicContact CZ-CB 4.48Å; F499-I588 HydrophobicContact CZ-CG2 4.12Å; R576-I588 PolarHBondContact NH1-O 3.07Å; R576-I588 VanDerWaalsContact NH1-O 3.1Å; R576-I588 PolarHBondContact O-N 3.07Å; R578-I588 HydrophobicContact CG-CD1 4.33Å; R578-I588 HydrophobicContact CG-CG1 4.4Å; I588-V590 VanDerWaalsContact C-N 3.33Å; I588-V590 HydrophobicContact CG2-CB 3.96Å; I588-V590 HydrophobicContact CG2-CG2 3.93Å
589	G	87.3	Confident	86.4	Confident	61 Å²	61	74 Å²	74	63%	0.629	38%	0.381	S	S	*	.			trans	-87.8	5.1	179.3	0	0	0	0	0	114.7	K587 H591	K587-G589 PolarHBondContact O-N 3.22Å; G589-H591 PolarHBondContact O-N 3.1Å
590	V	89.9	Confident	87.1	Confident	49 Å²	49	66.7 Å²	66.7	30%	0.297	35%	0.354	S	S	.	.			trans	-63.8	130	178.8	177.8	0	0	0	0	109.5	Y503 C515 R576 I588 Q669	Y503-V590 HydrophobicContact CD1-CG1 4.19Å; Y503-V590 HydrophobicContact CG-CG1 4.44Å; C515-V590 HydrophobicContact CB-CG1 3.94Å; R576-V590 PolarHBondContact NH1-O 2.85Å; I588-V590 VanDerWaalsContact C-N 3.33Å; I588-V590 HydrophobicContact CG2-CB 3.96Å; I588-V590 HydrophobicContact CG2-CG2 3.93Å; V590-Q669 PolarHBondContact O-OE1 2.97Å
591	H	92.8	Very high	87.9	Confident	69 Å²	69	69 Å²	69	32%	0.319	36%	0.36	S	S	.	.			trans	-67.1	133.7	172.1	-176.5	57.1	0	0	0	109.5	G589 C666 A668 Q669	G589-H591 PolarHBondContact O-N 3.1Å; H591-C666 PolarHBondContact CE1-O 2.95Å; H591-C666 VanDerWaalsContact CE1-O 3.29Å; H591-A668 PolarHBondContact CE1-O 3.33Å; H591-A668 VanDerWaalsContact CE1-O 3.31Å; H591-A668 PolarHBondContact ND1-O 3.07Å; H591-Q669 VanDerWaalsContact CB-NE2 3.26Å; H591-Q669 PolarHBondContact ND1-NE2 3.48Å
592	V	95.6	Very high	89.1	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	115	174	-176	0	0	0	0	106.4	F499 C515 V517 M520 L574 F594	F499-V592 HydrophobicContact CE1-CG2 3.48Å; F499-V592 VanDerWaalsContact CE1-CG2 3.48Å; F499-V592 HydrophobicContact CZ-CG2 3.81Å; C515-V592 HydrophobicContact CB-CG2 4.42Å; C515-V592 CarbonylContact O-C 3.5Å; C515-V592 VanDerWaalsContact O-CA 3.27Å; C515-V592 WeakPolarHBondContact O-CA 3.29Å; V517-V592 HydrophobicContact CB-CG1 4.49Å; V517-V592 HydrophobicContact CG2-CG1 3.57Å; M520-V592 HydrophobicContact SD-CG1 3.7Å; M520-V592 HydrophobicContact SD-CG2 4.02Å; L574-V592 HydrophobicContact CD1-CB 3.92Å; L574-V592 HydrophobicContact CD1-CG1 4.13Å; L574-V592 HydrophobicContact CD1-CG2 3.93Å; V592-F594 WeakPolarHBondContact O-CD1 3.31Å
593	G	96.1	Very high	90.3	Very high	17 Å²	17	59.4 Å²	59.4	18%	0.175	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.3	176.3	0	0	0	0	0	110.7	C515 L516 V517	C515-G593 PolarHBondContact O-N 3.24Å; L516-G593 WeakPolarHBondContact CA-O 3.29Å; V517-G593 PolarHBondContact N-O 2.97Å
594	F	97.1	Very high	91.5	Very high	11 Å²	11	53.1 Å²	53.1	5%	0.048	28%	0.283	C	S	.	.			trans	-142.9	153.4	175.7	59.8	-90.3	0	0	0	109.7	V517 V592 L621 V624 V665 C666 A668 A670 L673	V517-F594 HydrophobicContact CB-CB 4.4Å; V517-F594 HydrophobicContact CG2-CB 3.67Å; V592-F594 WeakPolarHBondContact O-CD1 3.31Å; F594-L621 HydrophobicContact CD2-CD1 4.4Å; F594-L621 HydrophobicContact CD2-CD2 3.99Å; F594-L621 HydrophobicContact CE2-CD2 3.73Å; F594-V624 HydrophobicContact CE2-CG2 3.81Å; F594-V624 HydrophobicContact CZ-CG1 4.07Å; F594-V624 HydrophobicContact CZ-CG2 3.98Å; F594-V665 HydrophobicContact CE2-CG1 4.28Å; F594-V665 WeakPolarHBondContact CZ-O 3.14Å; F594-C666 PolarHBondContact O-SG 3.09Å; F594-A668 HydrophobicContact CZ-CB 4.34Å; F594-A670 HydrophobicContact CD1-CB 4.07Å; F594-A670 HydrophobicContact CE1-CB 3.54Å; F594-A670 HydrophobicContact CZ-CB 4.18Å; F594-L673 HydrophobicContact CB-CD1 4.2Å; F594-L673 HydrophobicContact CD1-CD1 4.34Å; F594-L673 HydrophobicContact CD1-CD2 3.94Å; F594-L673 HydrophobicContact CD2-CD2 3.75Å; F594-L673 HydrophobicContact CE1-CD2 4.04Å; F594-L673 HydrophobicContact CE2-CD2 3.82Å; F594-L673 HydrophobicContact CG-CD1 4.23Å; F594-L673 HydrophobicContact CG-CD2 3.81Å; F594-L673 HydrophobicContact CZ-CD2 3.95Å
595	E	95.6	Very high	92.2	Very high	140 Å²	140	48.4 Å²	48.4	65%	0.654	26%	0.258	S	S	*	.			trans	-112	169.9	-173	-63.8	-175.5	-177.2	0	0	111	I597 Y675	E595-I597 VanDerWaalsContact C-N 3.26Å; E595-Y675 PolarHBondContact O-OH 3.2Å; E595-Y675 VanDerWaalsContact O-OH 3.05Å
596	E	95.4	Very high	92.2	Very high	103 Å²	103	51.7 Å²	51.7	48%	0.481	27%	0.27	S	S	.	.	S	Bend	trans	-63.7	-36.7	172.9	-170.3	174.3	172.6	0	0	111.7	D620 L621 M662	E596-D620 CarbonylContact O-C 3.57Å; E596-D620 WeakPolarHBondContact O-CA 3.35Å; E596-L621 PolarHBondContact O-N 3.41Å; E596-M662 VanDerWaalsContact CA-CE 3.43Å; E596-M662 HydrophobicContact CB-CE 3.51Å; E596-M662 HydrophobicContact CB-CG 4.49Å; E596-M662 HydrophobicContact CB-SD 4.23Å; E596-M662 HydrophobicContact CG-CE 3.98Å; E596-M662 HydrophobicContact CG-SD 4.16Å
597	I	96.6	Very high	91.7	Very high	76 Å²	76	55.2 Å²	55.2	39%	0.39	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.8	-175	-56.3	174.4	0	0	0	108.5	E595 I618 Y619 R678	E595-I597 VanDerWaalsContact C-N 3.26Å; I597-I618 HydrophobicContact CG2-CG2 3.54Å; I597-Y619 CarbonylContact C-O 3.51Å; I597-Y619 VanDerWaalsContact CA-O 3.31Å; I597-Y619 WeakPolarHBondContact CA-O 3.31Å; I597-R678 VanDerWaalsContact CD1-NH2 3.3Å
598	L	96.7	Very high	90.9	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.037	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.9	175.5	179.6	64.5	0	0	0	109.9	T518 L521 L570 L572 M600 Y619 Y675	T518-L598 HydrophobicContact CG2-CD1 4.11Å; L521-L598 HydrophobicContact CD1-CD1 4.13Å; L521-L598 HydrophobicContact CD1-CD2 4.21Å; L570-L598 HydrophobicContact CD2-CD2 4.13Å; L572-L598 HydrophobicContact CD1-CD2 3.94Å; L598-M600 HydrophobicContact CD2-CG 4.45Å; L598-M600 HydrophobicContact CD2-SD 3.7Å; L598-M600 HydrophobicContact CG-CG 4.41Å; L598-M600 HydrophobicContact CG-SD 3.97Å; L598-Y619 PolarHBondContact N-O 3.23Å; L598-Y619 PolarHBondContact O-N 3.33Å; L598-Y675 HydrophobicContact CB-CD1 3.84Å; L598-Y675 HydrophobicContact CB-CE1 3.64Å; L598-Y675 HydrophobicContact CB-CG 4.43Å; L598-Y675 HydrophobicContact CD2-CD1 4.37Å; L598-Y675 HydrophobicContact CD2-CD2 3.93Å; L598-Y675 HydrophobicContact CD2-CE1 4.37Å; L598-Y675 HydrophobicContact CD2-CE2 3.92Å; L598-Y675 HydrophobicContact CD2-CG 4.15Å
599	N	95.5	Very high	90.2	Very high	59 Å²	59	56.6 Å²	56.6	32%	0.316	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.8	170.7	-174.9	7.1	0	0	0	110.2	E601 I618	N599-E601 WeakPolarHBondContact OD1-CB 3.39Å; N599-E601 PolarHBondContact OD1-N 3.2Å; N599-I618 HydrophobicContact CB-CD1 3.99Å
600	M	95.4	Very high	89.5	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.			trans	-93.6	-6.4	179.3	-68.9	-60.2	-64.5	0	0	114.4	L521 I563 L566 L570 L598 Y603 C604 F617 Y619	L521-M600 HydrophobicContact CD1-SD 3.92Å; L521-M600 HydrophobicContact CD2-CE 4.25Å; I563-M600 HydrophobicContact CD1-CE 3.32Å; L566-M600 HydrophobicContact CD1-CB 4.22Å; L566-M600 HydrophobicContact CD2-CB 3.9Å; L566-M600 HydrophobicContact CD2-CE 4.29Å; L566-M600 HydrophobicContact CD2-CG 4.21Å; L570-M600 HydrophobicContact CD2-CE 3.74Å; L570-M600 HydrophobicContact CD2-CG 3.89Å; L570-M600 HydrophobicContact CD2-SD 3.52Å; L570-M600 VanDerWaalsContact CD2-SD 3.52Å; L598-M600 HydrophobicContact CD2-CG 4.45Å; L598-M600 HydrophobicContact CD2-SD 3.7Å; L598-M600 HydrophobicContact CG-CG 4.41Å; L598-M600 HydrophobicContact CG-SD 3.97Å; M600-Y603 HydrophobicContact CE-CD2 4.02Å; M600-Y603 PolarHBondContact O-N 2.68Å; M600-Y603 VanDerWaalsContact O-N 3.14Å; M600-Y603 HydrophobicContact SD-CD2 3.98Å; M600-Y603 HydrophobicContact SD-CE2 4.39Å; M600-C604 PolarHBondContact O-SG 2.97Å; M600-F617 PolarHBondContact N-O 3.3Å; M600-Y619 HydrophobicContact CB-CD2 4.47Å; M600-Y619 HydrophobicContact CB-CE2 4.33Å; M600-Y619 HydrophobicContact CG-CD2 3.84Å; M600-Y619 HydrophobicContact CG-CE2 3.95Å
601	E	92.8	Very high	88.6	Confident	83 Å²	83	63.6 Å²	63.6	39%	0.388	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-50.1	-44.9	-178.8	-172.3	-176.9	-167.6	0	0	113.9	N599 Y603 C604 L609 F617	N599-E601 WeakPolarHBondContact OD1-CB 3.39Å; N599-E601 PolarHBondContact OD1-N 3.2Å; E601-Y603 PolarHBondContact O-N 3.21Å; E601-Y603 VanDerWaalsContact O-N 3.11Å; E601-C604 PolarHBondContact O-N 3.25Å; E601-L609 HydrophobicContact CG-CD2 3.56Å; E601-F617 HydrophobicContact CB-CB 3.83Å; E601-F617 HydrophobicContact CB-CD1 4.01Å; E601-F617 HydrophobicContact CB-CD2 4.4Å; E601-F617 HydrophobicContact CB-CG 3.82Å; E601-F617 HydrophobicContact CG-CD1 4.44Å; E601-F617 HydrophobicContact CG-CD2 4.42Å; E601-F617 HydrophobicContact CG-CG 4.27Å
602	P	93.9	Very high	87.7	Confident	93 Å²	93	63.3 Å²	63.3	60%	0.604	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17.1	-176	-20.6	34.6	0	0	0	114.6
603	Y	94.8	Very high	86.8	Confident	21 Å²	21	71.5 Å²	71.5	8%	0.082	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-100.8	-1	-174.6	-47.1	-61.9	0	0	0	112.4	T518 L521 A522 T525 I563 M600 E601	T518-Y603 WeakPolarHBondContact CA-OH 3.34Å; T518-Y603 VanDerWaalsContact CB-OH 3.31Å; T518-Y603 WeakPolarHBondContact CB-OH 3.28Å; T518-Y603 PolarHBondContact O-OH 3.44Å; L521-Y603 HydrophobicContact CB-CD1 3.94Å; L521-Y603 HydrophobicContact CB-CD2 4.12Å; L521-Y603 HydrophobicContact CB-CE1 3.57Å; L521-Y603 HydrophobicContact CB-CE2 3.79Å; L521-Y603 HydrophobicContact CB-CG 4.2Å; L521-Y603 VanDerWaalsContact CB-CZ 3.49Å; L521-Y603 HydrophobicContact CD1-CD2 4.17Å; L521-Y603 HydrophobicContact CD1-CE2 3.72Å; L521-Y603 HydrophobicContact CG-CE2 4.36Å; A522-Y603 HydrophobicContact CB-CE1 4.16Å; T525-Y603 HydrophobicContact CG2-CD1 4.44Å; I563-Y603 PolarHBondContact N-O 2.95Å; M600-Y603 HydrophobicContact CE-CD2 4.02Å; M600-Y603 PolarHBondContact O-N 2.68Å; M600-Y603 VanDerWaalsContact O-N 3.14Å; M600-Y603 HydrophobicContact SD-CD2 3.98Å; M600-Y603 HydrophobicContact SD-CE2 4.39Å; E601-Y603 PolarHBondContact O-N 3.21Å; E601-Y603 VanDerWaalsContact O-N 3.11Å
604	C	92.9	Very high	85.8	Confident	13 Å²	13	74.7 Å²	74.7	9%	0.088	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-93.9	152.6	-175.8	-65.8	0	0	0	0	112.6	I563 M600 E601 T608 F617	I563-C604 CarbonylContact O-C 3.51Å; I563-C604 WeakPolarHBondContact O-CA 3.45Å; M600-C604 PolarHBondContact O-SG 2.97Å; E601-C604 PolarHBondContact O-N 3.25Å; C604-T608 HydrophobicContact CB-CG2 4.42Å; C604-F617 HydrophobicContact CB-CE1 4.07Å
605	C	88.8	Confident	85	Confident	3 Å²	3	78 Å²	78	2%	0.02	38%	0.383	C	S	.	.			trans	-75.3	160.9	175.6	79.9	0	0	0	0	112	L474 M562 I563 C564 E607 T608 L609	L474-C605 HydrophobicContact CD2-CB 3.99Å; M562-C605 HydrophobicContact CB-CB 4.03Å; M562-C605 HydrophobicContact SD-CB 4.13Å; I563-C605 PolarHBondContact O-N 3.28Å; C564-C605 VanDerWaalsContact CB-SG 3.54Å; C605-E607 VanDerWaalsContact C-N 3.26Å; C605-E607 PolarHBondContact O-N 3.01Å; C605-E607 PolarHBondContact SG-OE2 3.23Å; C605-T608 WeakPolarHBondContact O-CB 3.35Å; C605-T608 PolarHBondContact O-N 3.48Å; C605-T608 VanDerWaalsContact O-N 3.16Å; C605-T608 PolarHBondContact SG-OG1 3.45Å; C605-L609 PolarHBondContact O-N 2.88Å
606	R	78.6	Confident	84.5	Confident	180 Å²	180	73 Å²	73	68%	0.679	36%	0.363	S	S	*	.	H	α-helix	trans	-65.1	-28.8	-172.4	-164	178.6	-175.3	-140.1	3	113.2
607	E	73.6	Confident	84.3	Confident	120 Å²	120	68.2 Å²	68.2	56%	0.561	34%	0.341	S	S	*	.	H	α-helix	trans	-64.3	-42.4	176	-66	71	-151.2	0	0	111.2	C605 L609 K610	C605-E607 VanDerWaalsContact C-N 3.26Å; C605-E607 PolarHBondContact O-N 3.01Å; C605-E607 PolarHBondContact SG-OE2 3.23Å; E607-L609 PolarHBondContact O-N 2.84Å; E607-K610 PolarHBondContact O-N 3.37Å
608	T	72.4	Confident	84.2	Confident	10 Å²	10	66.4 Å²	66.4	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-40.8	178.8	-49.6	0	0	0	0	111.8	C564 C604 C605 K610 S611 L612 F617	C564-T608 WeakPolarHBondContact CA-OG1 3.19Å; C564-T608 WeakPolarHBondContact O-CG2 3.29Å; C564-T608 PolarHBondContact O-OG1 2.87Å; C604-T608 HydrophobicContact CB-CG2 4.42Å; C605-T608 WeakPolarHBondContact O-CB 3.35Å; C605-T608 PolarHBondContact O-N 3.48Å; C605-T608 VanDerWaalsContact O-N 3.16Å; C605-T608 PolarHBondContact SG-OG1 3.45Å; T608-K610 PolarHBondContact O-N 2.78Å; T608-S611 PolarHBondContact O-N 3.46Å; T608-S611 VanDerWaalsContact O-N 3.09Å; T608-L612 HydrophobicContact CG2-CD1 3.6Å; T608-L612 HydrophobicContact CG2-CG 4.31Å; T608-L612 PolarHBondContact O-N 2.95Å; T608-L612 VanDerWaalsContact O-N 3.12Å; T608-F617 HydrophobicContact CG2-CE1 4.11Å; T608-F617 HydrophobicContact CG2-CZ 4.34Å
609	L	73.4	Confident	84.2	Confident	73 Å²	73	66 Å²	66	38%	0.382	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-22.8	177.3	-64.5	175	0	0	0	113.6	E601 C605 E607 F617	E601-L609 HydrophobicContact CG-CD2 3.56Å; C605-L609 PolarHBondContact O-N 2.88Å; E607-L609 PolarHBondContact O-N 2.84Å; L609-F617 HydrophobicContact CD2-CE1 4.06Å; L609-F617 HydrophobicContact CD2-CE2 4.4Å; L609-F617 HydrophobicContact CD2-CZ 3.81Å
610	K	72.1	Confident	84.2	Confident	155 Å²	155	65.3 Å²	65.3	67%	0.674	33%	0.325	S	S	*	.	H	α-helix	trans	-87	-22.1	177.4	-66.9	175.6	-177.6	177.7	0	113.4	E607 T608	E607-K610 PolarHBondContact O-N 3.37Å; T608-K610 PolarHBondContact O-N 2.78Å
611	S	69.9	Low	84.3	Confident	102 Å²	102	65.7 Å²	65.7	71%	0.713	33%	0.327	S	S	*	.	H	α-helix	trans	-98.5	-33.9	-170.5	-171.1	0	0	0	0	112.6	T608	T608-S611 PolarHBondContact O-N 3.46Å; T608-S611 VanDerWaalsContact O-N 3.09Å
612	L	74.3	Confident	84.5	Confident	64 Å²	64	62.8 Å²	62.8	34%	0.335	32%	0.316	S	S	.	.	S	Bend	trans	-101.8	149.4	-173.2	-64.7	178.6	0	0	0	112.5	T608 C616 F617	T608-L612 HydrophobicContact CG2-CD1 3.6Å; T608-L612 HydrophobicContact CG2-CG 4.31Å; T608-L612 PolarHBondContact O-N 2.95Å; T608-L612 VanDerWaalsContact O-N 3.12Å; L612-C616 HydrophobicContact CB-CB 4.08Å; L612-C616 HydrophobicContact CD1-CB 4.34Å; L612-F617 HydrophobicContact CB-CE2 3.99Å; L612-F617 HydrophobicContact CB-CZ 3.88Å; L612-F617 HydrophobicContact CD1-CZ 4.35Å
613	R	77.2	Confident	84.7	Confident	171 Å²	171	58.4 Å²	58.4	65%	0.645	29%	0.288	S	S	*	.			trans	-73.3	152.5	171.3	-59.1	-175.8	178	160.4	0.7	110.2	E615 C616	R613-E615 WeakPolarHBondContact CB-OE2 3.31Å; R613-E615 PolarHBondContact O-N 3.44Å; R613-E615 VanDerWaalsContact O-N 3.09Å; R613-C616 WeakPolarHBondContact O-CB 3.23Å; R613-C616 PolarHBondContact O-N 3.18Å
614	P	75.9	Confident	84.9	Confident	85 Å²	85	57.4 Å²	57.4	55%	0.552	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-52.7	-32.4	179.1	-28	36.4	0	0	0	114.1	C616 F617	P614-C616 VanDerWaalsContact C-N 3.25Å; P614-C616 PolarHBondContact O-N 3.45Å; P614-F617 PolarHBondContact O-N 3.13Å
615	E	78.8	Confident	85.2	Confident	80 Å²	80	56.9 Å²	56.9	37%	0.374	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-67.3	-25.6	-179.2	-58.3	77.3	-163.1	0	0	112.9	R613 F617 I618 T680	R613-E615 WeakPolarHBondContact CB-OE2 3.31Å; R613-E615 PolarHBondContact O-N 3.44Å; R613-E615 VanDerWaalsContact O-N 3.09Å; E615-F617 PolarHBondContact O-N 3.17Å; E615-I618 PolarHBondContact O-N 2.97Å; E615-T680 HydrophobicContact CB-CG2 4.17Å; E615-T680 HydrophobicContact CG-CG2 4.06Å
616	C	84.9	Confident	85.5	Confident	35 Å²	35	56.9 Å²	56.9	24%	0.236	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-68.5	-16.1	178.6	-61.9	0	0	0	0	113	L612 R613 P614 Q677	L612-C616 HydrophobicContact CB-CB 4.08Å; L612-C616 HydrophobicContact CD1-CB 4.34Å; R613-C616 WeakPolarHBondContact O-CB 3.23Å; R613-C616 PolarHBondContact O-N 3.18Å; P614-C616 VanDerWaalsContact C-N 3.25Å; P614-C616 PolarHBondContact O-N 3.45Å; C616-Q677 PolarHBondContact O-NE2 2.85Å
617	F	91.3	Very high	86.3	Confident	3 Å²	3	48.7 Å²	48.7	1%	0.013	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-88.8	-8.8	178.5	-60.2	-79.9	0	0	0	113	L566 M600 E601 C604 T608 L609 L612 P614 E615	L566-F617 HydrophobicContact CD1-CD1 3.71Å; L566-F617 HydrophobicContact CD1-CE1 4.12Å; M600-F617 PolarHBondContact N-O 3.3Å; E601-F617 HydrophobicContact CB-CB 3.83Å; E601-F617 HydrophobicContact CB-CD1 4.01Å; E601-F617 HydrophobicContact CB-CD2 4.4Å; E601-F617 HydrophobicContact CB-CG 3.82Å; E601-F617 HydrophobicContact CG-CD1 4.44Å; E601-F617 HydrophobicContact CG-CD2 4.42Å; E601-F617 HydrophobicContact CG-CG 4.27Å; C604-F617 HydrophobicContact CB-CE1 4.07Å; T608-F617 HydrophobicContact CG2-CE1 4.11Å; T608-F617 HydrophobicContact CG2-CZ 4.34Å; L609-F617 HydrophobicContact CD2-CE1 4.06Å; L609-F617 HydrophobicContact CD2-CE2 4.4Å; L609-F617 HydrophobicContact CD2-CZ 3.81Å; L612-F617 HydrophobicContact CB-CE2 3.99Å; L612-F617 HydrophobicContact CB-CZ 3.88Å; L612-F617 HydrophobicContact CD1-CZ 4.35Å; P614-F617 PolarHBondContact O-N 3.13Å; E615-F617 PolarHBondContact O-N 3.17Å
618	I	94.8	Very high	87	Confident	37 Å²	37	47 Å²	47	19%	0.19	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.9	-175.4	-53.5	-57.3	0	0	0	110	I597 N599 E615 R678	I597-I618 HydrophobicContact CG2-CG2 3.54Å; N599-I618 HydrophobicContact CB-CD1 3.99Å; E615-I618 PolarHBondContact O-N 2.97Å; I618-R678 WeakPolarHBondContact O-CB 3.37Å; I618-R678 PolarHBondContact O-N 2.82Å
619	Y	96.3	Very high	87.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.9	178.6	-74.2	-108	0	0	0	111.7	L566 P567 L570 I597 L598 M600 Y675 T676 Q677	L566-Y619 WeakPolarHBondContact CB-OH 3.28Å; L566-Y619 HydrophobicContact CD1-CE2 4.37Å; L566-Y619 HydrophobicContact CD2-CE2 4.35Å; P567-Y619 WeakPolarHBondContact O-CE1 3.25Å; P567-Y619 PolarHBondContact O-OH 2.89Å; L570-Y619 HydrophobicContact CB-CD1 3.97Å; L570-Y619 HydrophobicContact CB-CE1 3.75Å; I597-Y619 CarbonylContact C-O 3.51Å; I597-Y619 VanDerWaalsContact CA-O 3.31Å; I597-Y619 WeakPolarHBondContact CA-O 3.31Å; L598-Y619 PolarHBondContact N-O 3.23Å; L598-Y619 PolarHBondContact O-N 3.33Å; M600-Y619 HydrophobicContact CB-CD2 4.47Å; M600-Y619 HydrophobicContact CB-CE2 4.33Å; M600-Y619 HydrophobicContact CG-CD2 3.84Å; M600-Y619 HydrophobicContact CG-CE2 3.95Å; Y619-Y675 WeakPolarHBondContact CD1-O 3.15Å; Y619-T676 WeakPolarHBondContact CA-O 3.35Å; Y619-T676 VanDerWaalsContact CD1-C 3.45Å; Y619-Q677 HydrophobicContact CD1-CB 4.09Å; Y619-Q677 VanDerWaalsContact CD1-N 3.26Å; Y619-Q677 HydrophobicContact CE1-CB 3.62Å; Y619-Q677 HydrophobicContact CE1-CG 4.32Å; Y619-Q677 HydrophobicContact CE2-CB 4.39Å; Y619-Q677 HydrophobicContact CE2-CG 4.22Å
620	D	96.4	Very high	87.6	Confident	44 Å²	44	54.5 Å²	54.5	24%	0.235	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.7	174.3	-66.2	-43.4	0	0	0	110.4	E596 S622 Y675 T676 R678	E596-D620 CarbonylContact O-C 3.57Å; E596-D620 WeakPolarHBondContact O-CA 3.35Å; D620-S622 PolarHBondContact O-N 3.33Å; D620-Y675 CarbonylContact O-C 3.57Å; D620-Y675 WeakPolarHBondContact O-CA 3.18Å; D620-T676 PolarHBondContact N-O 3.48Å; D620-T676 PolarHBondContact O-N 2.89Å; D620-R678 IonicContact OD1-CZ 3.34Å; D620-R678 IonicContact OD1-NE 3.3Å; D620-R678 PolarHBondContact OD1-NE 3Å; D620-R678 IonicContact OD1-NH2 2.64Å; D620-R678 PolarHBondContact OD1-NH2 2.79Å; D620-R678 IonicContact OD2-CZ 3.72Å; D620-R678 IonicContact OD2-NE 2.91Å; D620-R678 PolarHBondContact OD2-NE 2.84Å; D620-R678 IonicContact OD2-NH2 3.68Å
621	L	97.8	Very high	87.4	Confident	8 Å²	8	48 Å²	48	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.8	177.8	-173.1	74.5	0	0	0	110	F594 E596 V624 W649 M662 V665 L673 Y675	F594-L621 HydrophobicContact CD2-CD1 4.4Å; F594-L621 HydrophobicContact CD2-CD2 3.99Å; F594-L621 HydrophobicContact CE2-CD2 3.73Å; E596-L621 PolarHBondContact O-N 3.41Å; L621-V624 HydrophobicContact CD1-CG2 4.11Å; L621-V624 HydrophobicContact CD2-CG2 3.84Å; L621-V624 HydrophobicContact CG-CG2 4.3Å; L621-W649 HydrophobicContact CB-CH2 4.4Å; L621-W649 HydrophobicContact CB-CZ2 4.3Å; L621-W649 HydrophobicContact CD2-CH2 3.77Å; L621-W649 HydrophobicContact CD2-CZ2 3.95Å; L621-W649 HydrophobicContact CG-CH2 3.79Å; L621-W649 HydrophobicContact CG-CZ2 4.11Å; L621-W649 VanDerWaalsContact O-CZ2 3.26Å; L621-W649 WeakPolarHBondContact O-CZ2 3.32Å; L621-M662 HydrophobicContact CD2-CE 3.62Å; L621-V665 HydrophobicContact CD2-CG1 3.84Å; L621-L673 HydrophobicContact CD1-CD2 4.02Å; L621-Y675 HydrophobicContact CB-CD1 4.14Å; L621-Y675 HydrophobicContact CB-CE1 3.77Å; L621-Y675 HydrophobicContact CD1-CD1 4.15Å; L621-Y675 HydrophobicContact CD1-CD2 4.25Å; L621-Y675 HydrophobicContact CD1-CE1 3.69Å; L621-Y675 HydrophobicContact CD1-CE2 3.81Å; L621-Y675 HydrophobicContact CD1-CG 4.41Å; L621-Y675 HydrophobicContact CG-CE1 4.33Å
622	S	96.9	Very high	87.4	Confident	22 Å²	22	48.9 Å²	48.9	15%	0.154	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-35.4	-177.9	-69.2	0	0	0	0	112.8	D620 Y642 F674 T676	D620-S622 PolarHBondContact O-N 3.33Å; S622-Y642 WeakPolarHBondContact O-CB 3.1Å; S622-Y642 PolarHBondContact O-N 2.91Å; S622-F674 PolarHBondContact N-O 3.36Å; S622-T676 VanDerWaalsContact OG-CB 3.27Å; S622-T676 WeakPolarHBondContact OG-CB 3.47Å; S622-T676 PolarHBondContact OG-OG1 2.92Å
623	A	98.3	Very high	87.1	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	157.6	178.1	0	0	0	0	0	113.8	V290 Y640 F674	V290-A623 HydrophobicContact CB-CB 4.31Å; V290-A623 HydrophobicContact CG1-CB 3.77Å; V290-A623 HydrophobicContact CG2-CB 3.81Å; A623-Y640 CarbonylContact C-O 3.55Å; A623-Y640 WeakPolarHBondContact CA-O 3.44Å; A623-Y640 WeakPolarHBondContact CB-O 3.15Å; A623-F674 HydrophobicContact CB-CB 4.07Å; A623-F674 HydrophobicContact CB-CD2 4.17Å; A623-F674 HydrophobicContact CB-CG 4.35Å; A623-F674 PolarHBondContact N-O 3.32Å; A623-F674 PolarHBondContact O-N 2.98Å
624	V	98.6	Very high	87.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	117.5	176.4	-172.9	0	0	0	0	109.7	F594 L621 M626 A639 Y640 V665 A668 A670 I672 L673	F594-V624 HydrophobicContact CE2-CG2 3.81Å; F594-V624 HydrophobicContact CZ-CG1 4.07Å; F594-V624 HydrophobicContact CZ-CG2 3.98Å; L621-V624 HydrophobicContact CD1-CG2 4.11Å; L621-V624 HydrophobicContact CD2-CG2 3.84Å; L621-V624 HydrophobicContact CG-CG2 4.3Å; V624-M626 HydrophobicContact CG1-CG 4.42Å; V624-A639 CarbonylContact O-C 3.42Å; V624-A639 VanDerWaalsContact O-CA 3.24Å; V624-A639 WeakPolarHBondContact O-CA 3.39Å; V624-Y640 PolarHBondContact N-O 3.44Å; V624-Y640 PolarHBondContact O-N 3.42Å; V624-V665 HydrophobicContact CG2-CG1 3.72Å; V624-A668 HydrophobicContact CG1-CB 4.45Å; V624-A670 HydrophobicContact CG1-CB 3.64Å; V624-I672 WeakPolarHBondContact CA-O 3.36Å; V624-L673 HydrophobicContact CB-CD2 4.37Å; V624-L673 HydrophobicContact CG1-CD2 3.92Å; V624-L673 HydrophobicContact CG2-CD2 3.84Å
625	V	98.4	Very high	87.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	135	169.1	179.8	0	0	0	0	108.6	V290 A424 Y637 Y671 I672 F674	V290-V625 HydrophobicContact CG2-CG2 3.74Å; A424-V625 HydrophobicContact CB-CG1 4.47Å; V625-Y637 HydrophobicContact CG1-CD1 3.98Å; V625-Y671 HydrophobicContact CG1-CD1 4.39Å; V625-Y671 WeakPolarHBondContact O-CA 3.35Å; V625-Y671 WeakPolarHBondContact O-CB 3.31Å; V625-Y671 PolarHBondContact O-N 2.98Å; V625-I672 HydrophobicContact CB-CB 4.07Å; V625-I672 HydrophobicContact CB-CD1 4.46Å; V625-I672 HydrophobicContact CB-CG1 4.41Å; V625-I672 HydrophobicContact CG2-CB 4.4Å; V625-I672 PolarHBondContact N-O 3.1Å; V625-I672 PolarHBondContact O-N 3.35Å; V625-F674 HydrophobicContact CG2-CE2 3.95Å
626	M	96.4	Very high	88.3	Confident	4 Å²	4	39 Å²	39	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.5	178	-62.3	156.2	-84.6	0	0	110.1	V624 Y637 T638 Y640 A668	V624-M626 HydrophobicContact CG1-CG 4.42Å; M626-Y637 VanDerWaalsContact O-CA 3.31Å; M626-Y637 WeakPolarHBondContact O-CA 3.44Å; M626-Y637 WeakPolarHBondContact O-CD1 3.43Å; M626-T638 WeakPolarHBondContact CE-OG1 3.45Å; M626-T638 PolarHBondContact N-O 3.44Å; M626-T638 PolarHBondContact O-N 3.31Å; M626-T638 VanDerWaalsContact O-N 3.12Å; M626-Y640 HydrophobicContact CE-CD2 3.2Å; M626-Y640 HydrophobicContact CE-CE2 3.37Å; M626-Y640 HydrophobicContact CE-CG 3.88Å; M626-Y640 HydrophobicContact SD-CD2 3.66Å; M626-Y640 HydrophobicContact SD-CE2 3.33Å; M626-Y640 WeakPolarHBondContact SD-CE2 3.4Å; M626-A668 HydrophobicContact CG-CB 4.03Å; M626-A668 HydrophobicContact SD-CB 3.79Å
627	H	94.3	Very high	88.9	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.9	169.5	177.8	-116.6	0	0	0	110	F577 K587 G635 Y637 Y671	F577-H627 AromaticContact CZ-CE1 3.58Å; F577-H627 AromaticContact CZ-ND1 3.44Å; F577-H627 WeakPolarHBondContact CZ-ND1 3.29Å; K587-H627 PolarHBondContact NZ-ND1 2.96Å; K587-H627 PolarHBondContact NZ-O 3.41Å; H627-G635 WeakPolarHBondContact NE2-CA 3.44Å; H627-Y637 HydrophobicContact CB-CD1 4.05Å; H627-Y637 HydrophobicContact CB-CE1 3.69Å; H627-Y637 AromaticContact CD2-CE1 3.76Å; H627-Y637 AromaticContact CD2-CE2 3.71Å; H627-Y637 AromaticContact CD2-CZ 3.52Å; H627-Y637 AromaticContact CG-CE1 3.99Å; H627-Y671 HydrophobicContact CB-CG 4.26Å
628	H	89.6	Confident	89.2	Confident	83 Å²	83	37.8 Å²	37.8	38%	0.384	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130	173.4	-56	-75.4	0	0	0	109.6	G635 H636 T638	H628-G635 CarbonylContact O-C 3.58Å; H628-G635 WeakPolarHBondContact O-CA 3.06Å; H628-H636 HydrophobicContact CB-CB 4.38Å; H628-H636 WeakPolarHBondContact CB-O 3.41Å; H628-H636 PolarHBondContact CD2-O 3.27Å; H628-H636 PolarHBondContact N-O 3.5Å; H628-H636 PolarHBondContact O-N 2.9Å; H628-T638 PolarHBondContact NE2-OG1 3.31Å
629	G	85.1	Confident	89.3	Confident	35 Å²	35	36 Å²	36	36%	0.361	21%	0.208	S	C	.	.	S	Bend	trans	145.3	154.6	-178.9	0	0	0	0	0	112.2	K587	K587-G629 WeakPolarHBondContact CD-O 3.36Å; K587-G629 PolarHBondContact NZ-O 3.19Å
630	K	72.5	Confident	89.4	Confident	207 Å²	207	37.5 Å²	37.5	90%	0.9	21%	0.214	S	C	*	.	S	Bend	trans	-87.4	-20	-177.6	-69.2	-172.6	176.8	-175.1	0	113.7
631	G	68.3	Low	89.5	Confident	19 Å²	19	35.4 Å²	35.4	20%	0.196	20%	0.203	C	C	.	.	S	Bend	trans	-137.7	177.7	-172.2	0	0	0	0	0	113.3
632	F	69.2	Low	89.5	Confident	119 Å²	119	39.3 Å²	39.3	52%	0.522	22%	0.217	S	C	.	.	S	Bend	trans	-79.1	-31.4	-179.2	75.6	-85.1	0	0	0	113.3	F577 R585	F577-F632 HydrophobicContact CD1-CB 3.96Å; F577-F632 HydrophobicContact CE1-CB 4.07Å; R585-F632 HydrophobicContact CB-CD1 3.63Å; R585-F632 HydrophobicContact CB-CE1 4.07Å; R585-F632 HydrophobicContact CB-CG 4.21Å; R585-F632 HydrophobicContact CG-CD1 4.4Å
633	G	67.8	Low	89.4	Confident	53 Å²	53	38.2 Å²	38.2	55%	0.546	21%	0.21	S	C	.	.	S	Bend	trans	-94.3	4.6	-175.7	0	0	0	0	0	114.8
634	S	77.9	Confident	89	Confident	70 Å²	70	39.6 Å²	39.6	49%	0.49	22%	0.22	S	C	.	.	S	Bend	trans	-151.9	120.9	179	72.6	0	0	0	0	111.4
635	G	86.3	Confident	88.4	Confident	17 Å²	17	44.7 Å²	44.7	18%	0.175	24%	0.243	C	C	.	.			trans	-172.5	-168.9	169.4	0	0	0	0	0	114.5	Q421 H627 H628	Q421-G635 PolarHBondContact NE2-O 2.94Å; H627-G635 WeakPolarHBondContact NE2-CA 3.44Å; H628-G635 CarbonylContact O-C 3.58Å; H628-G635 WeakPolarHBondContact O-CA 3.06Å
636	H	92.7	Very high	87.7	Confident	52 Å²	52	46.1 Å²	46.1	24%	0.241	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	127.4	-177.5	-176.6	57.8	0	0	0	110	C282 H628 T638 N653 D654	C282-H636 VanDerWaalsContact CB-CE1 3.49Å; C282-H636 WeakPolarHBondContact CB-CE1 3.24Å; C282-H636 WeakPolarHBondContact CB-ND1 3.33Å; H628-H636 HydrophobicContact CB-CB 4.38Å; H628-H636 WeakPolarHBondContact CB-O 3.41Å; H628-H636 PolarHBondContact CD2-O 3.27Å; H628-H636 PolarHBondContact N-O 3.5Å; H628-H636 PolarHBondContact O-N 2.9Å; H636-T638 WeakPolarHBondContact NE2-CG2 3.47Å; H636-N653 PolarHBondContact NE2-OD1 3.03Å; H636-D654 IonicContact CE1-OD2 3.75Å; H636-D654 PolarHBondContact CE1-OD2 3.21Å; H636-D654 VanDerWaalsContact CE1-OD2 3.23Å
637	Y	97.2	Very high	87.5	Confident	13 Å²	13	48.2 Å²	48.2	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.8	178.1	-70.2	-88.4	0	0	0	111.3	C282 Q422 A424 V625 M626 H627 Y671	C282-Y637 PolarHBondContact SG-N 2.81Å; C282-Y637 VanDerWaalsContact SG-N 3.4Å; Q422-Y637 WeakPolarHBondContact O-CE2 3.37Å; A424-Y637 HydrophobicContact CB-CD1 3.68Å; A424-Y637 HydrophobicContact CB-CE1 3.51Å; A424-Y637 HydrophobicContact CB-CE2 4.37Å; A424-Y637 HydrophobicContact CB-CG 4.2Å; V625-Y637 HydrophobicContact CG1-CD1 3.98Å; M626-Y637 VanDerWaalsContact O-CA 3.31Å; M626-Y637 WeakPolarHBondContact O-CA 3.44Å; M626-Y637 WeakPolarHBondContact O-CD1 3.43Å; H627-Y637 HydrophobicContact CB-CD1 4.05Å; H627-Y637 HydrophobicContact CB-CE1 3.69Å; H627-Y637 AromaticContact CD2-CE1 3.76Å; H627-Y637 AromaticContact CD2-CE2 3.71Å; H627-Y637 AromaticContact CD2-CZ 3.52Å; H627-Y637 AromaticContact CG-CE1 3.99Å; Y637-Y671 HydrophobicContact CD1-CD1 4.42Å; Y637-Y671 AromaticContact CE1-CD1 3.7Å; Y637-Y671 HydrophobicContact CE1-CD1 3.7Å; Y637-Y671 AromaticContact CE1-CE1 3.84Å; Y637-Y671 HydrophobicContact CE1-CE1 3.84Å
638	T	97.9	Very high	87.5	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	162.1	170.3	60.8	0	0	0	0	109.1	M626 H628 H636 H651 N653	M626-T638 WeakPolarHBondContact CE-OG1 3.45Å; M626-T638 PolarHBondContact N-O 3.44Å; M626-T638 PolarHBondContact O-N 3.31Å; M626-T638 VanDerWaalsContact O-N 3.12Å; H628-T638 PolarHBondContact NE2-OG1 3.31Å; H636-T638 WeakPolarHBondContact NE2-CG2 3.47Å; T638-H651 WeakPolarHBondContact CB-NE2 3.3Å; T638-H651 PolarHBondContact OG1-NE2 3.43Å; T638-N653 HydrophobicContact CG2-CB 3.87Å
639	A	98.5	Very high	87.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.6	177.7	0	0	0	0	0	111.3	V290 V624 H651 C652	V290-A639 HydrophobicContact CG2-CB 3.99Å; V624-A639 CarbonylContact O-C 3.42Å; V624-A639 VanDerWaalsContact O-CA 3.24Å; V624-A639 WeakPolarHBondContact O-CA 3.39Å; A639-H651 CarbonylContact O-C 2.85Å; A639-C652 HydrophobicContact CB-CB 4.44Å; A639-C652 PolarHBondContact N-O 2.89Å; A639-C652 WeakPolarHBondContact O-CA 3.09Å; A639-C652 PolarHBondContact O-N 2.98Å
640	Y	98.5	Very high	88.4	Confident	30 Å²	30	45.5 Å²	45.5	12%	0.118	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.9	157.5	-70.5	-67.7	0	0	0	107.9	A623 V624 M626 V650 H651 C660 V665 A668	A623-Y640 CarbonylContact C-O 3.55Å; A623-Y640 WeakPolarHBondContact CA-O 3.44Å; A623-Y640 WeakPolarHBondContact CB-O 3.15Å; V624-Y640 PolarHBondContact N-O 3.44Å; V624-Y640 PolarHBondContact O-N 3.42Å; M626-Y640 HydrophobicContact CE-CD2 3.2Å; M626-Y640 HydrophobicContact CE-CE2 3.37Å; M626-Y640 HydrophobicContact CE-CG 3.88Å; M626-Y640 HydrophobicContact SD-CD2 3.66Å; M626-Y640 HydrophobicContact SD-CE2 3.33Å; M626-Y640 WeakPolarHBondContact SD-CE2 3.4Å; Y640-V650 CarbonylContact C-O 3.57Å; Y640-V650 WeakPolarHBondContact CA-O 3.46Å; Y640-H651 HydrophobicContact CD1-CB 3.67Å; Y640-H651 AromaticContact CD1-CD2 3.96Å; Y640-H651 AromaticContact CD1-CG 3.98Å; Y640-H651 HydrophobicContact CE1-CB 3.42Å; Y640-H651 VanDerWaalsContact CE1-CB 3.42Å; Y640-H651 AromaticContact CE1-CD2 3.72Å; Y640-H651 AromaticContact CE1-CG 3.51Å; Y640-C660 HydrophobicContact CD1-CB 4.38Å; Y640-C660 WeakPolarHBondContact CD1-SG 3.29Å; Y640-C660 HydrophobicContact CE1-CB 3.94Å; Y640-C660 WeakPolarHBondContact CE1-SG 3.44Å; Y640-V665 HydrophobicContact CD1-CG2 3.98Å; Y640-V665 HydrophobicContact CD2-CG1 4.39Å; Y640-V665 HydrophobicContact CD2-CG2 4.35Å; Y640-V665 HydrophobicContact CE1-CG2 4.45Å; Y640-V665 HydrophobicContact CG-CG1 4.41Å; Y640-V665 HydrophobicContact CG-CG2 3.91Å; Y640-A668 HydrophobicContact CD2-CB 4.02Å; Y640-A668 HydrophobicContact CE2-CB 3.7Å
641	C	98.1	Very high	89.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136	178.1	-60.7	0	0	0	0	109.9	H293 W649 V650	H293-C641 HydrophobicContact CB-CB 3.83Å; C641-W649 VanDerWaalsContact C-CE3 3.46Å; C641-V650 PolarHBondContact N-O 3.45Å; C641-V650 PolarHBondContact O-N 2.91Å
642	Y	97.3	Very high	91	Very high	90 Å²	90	36.6 Å²	36.6	35%	0.353	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.9	170	-175.1	-110.6	0	0	0	109.9	S622 S644 W649	S622-Y642 WeakPolarHBondContact O-CB 3.1Å; S622-Y642 PolarHBondContact O-N 2.91Å; Y642-S644 PolarHBondContact O-N 3.5Å; Y642-W649 AromaticContact CD2-CD1 3.86Å; Y642-W649 HydrophobicContact CD2-CD2 4.25Å; Y642-W649 AromaticContact CD2-CE2 3.95Å; Y642-W649 HydrophobicContact CD2-CG 4.2Å; Y642-W649 AromaticContact CD2-NE1 3.69Å
643	N	94.5	Very high	92.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	104.3	174.3	-172.6	-31.4	0	0	0	109.4	P270 E645 G646 G647 F648 V650	P270-N643 PolarHBondContact O-ND2 3.29Å; N643-E645 VanDerWaalsContact C-N 3.29Å; N643-E645 PolarHBondContact O-N 3.32Å; N643-E645 PolarHBondContact OD1-N 3.18Å; N643-G646 PolarHBondContact O-N 3.21Å; N643-G646 PolarHBondContact OD1-N 3.42Å; N643-G647 WeakPolarHBondContact O-CA 3.47Å; N643-G647 PolarHBondContact O-N 3.35Å; N643-F648 HydrophobicContact CB-CD2 4.46Å; N643-F648 HydrophobicContact CB-CE2 4.29Å; N643-F648 WeakPolarHBondContact CB-O 3.22Å; N643-F648 PolarHBondContact N-O 3.31Å; N643-F648 PolarHBondContact O-N 2.9Å; N643-V650 HydrophobicContact CB-CG2 4.37Å
644	S	89.6	Confident	93.6	Very high	30 Å²	30	31.5 Å²	31.5	21%	0.21	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22	-179	52.6	0	0	0	0	114.8	Y642	Y642-S644 PolarHBondContact O-N 3.5Å
645	E	86.2	Confident	94.2	Very high	106 Å²	106	30.9 Å²	30.9	50%	0.495	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-34.6	175.4	-66.2	-176.7	-169.1	0	0	111.8	P270 R298 W393 N643	P270-E645 WeakPolarHBondContact CB-OE2 3.46Å; R298-E645 IonicContact CZ-OE1 3.83Å; R298-E645 IonicContact NH1-OE1 3.23Å; R298-E645 PolarHBondContact NH1-OE1 3.25Å; R298-E645 IonicContact NH2-OE1 3.6Å; R298-E645 PolarHBondContact NH2-OE1 2.92Å; W393-E645 HydrophobicContact CZ3-CB 4.22Å; W393-E645 HydrophobicContact CZ3-CG 3.93Å; N643-E645 VanDerWaalsContact C-N 3.29Å; N643-E645 PolarHBondContact O-N 3.32Å; N643-E645 PolarHBondContact OD1-N 3.18Å
646	G	84.4	Confident	94.2	Very high	32 Å²	32	37 Å²	37	33%	0.33	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-26.6	178.3	0	0	0	0	0	114.3	N643 F648	N643-G646 PolarHBondContact O-N 3.21Å; N643-G646 PolarHBondContact OD1-N 3.42Å; G646-F648 VanDerWaalsContact C-CD1 3.42Å; G646-F648 WeakPolarHBondContact O-CD1 3.09Å
647	G	90.9	Very high	94.2	Very high	48 Å²	48	36.7 Å²	36.7	50%	0.495	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	30.5	-173.1	0	0	0	0	0	113.7	N643	N643-G647 WeakPolarHBondContact O-CA 3.47Å; N643-G647 PolarHBondContact O-N 3.35Å
648	F	94.4	Very high	94	Very high	52 Å²	52	38.9 Å²	38.9	23%	0.228	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	158.3	-178.1	57.2	-100.4	0	0	0	112.6	T269 V272 N643 G646 V650 M659	T269-F648 HydrophobicContact CG2-CE1 4.32Å; T269-F648 HydrophobicContact CG2-CZ 3.98Å; V272-F648 HydrophobicContact CG2-CE2 4.02Å; V272-F648 HydrophobicContact CG2-CZ 3.96Å; N643-F648 HydrophobicContact CB-CD2 4.46Å; N643-F648 HydrophobicContact CB-CE2 4.29Å; N643-F648 WeakPolarHBondContact CB-O 3.22Å; N643-F648 PolarHBondContact N-O 3.31Å; N643-F648 PolarHBondContact O-N 2.9Å; G646-F648 VanDerWaalsContact C-CD1 3.42Å; G646-F648 WeakPolarHBondContact O-CD1 3.09Å; F648-V650 HydrophobicContact CD2-CG2 3.52Å; F648-V650 HydrophobicContact CE2-CG2 3.34Å; F648-M659 HydrophobicContact CD2-CG 4.09Å; F648-M659 HydrophobicContact CD2-SD 4.45Å; F648-M659 HydrophobicContact CE2-CG 4.21Å
649	W	97.4	Very high	93.8	Very high	16 Å²	16	46 Å²	46	6%	0.061	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	142.2	174.3	-77.5	92.5	0	0	0	111.9	L621 C641 Y642 M659 C660 M662 V665	L621-W649 HydrophobicContact CB-CH2 4.4Å; L621-W649 HydrophobicContact CB-CZ2 4.3Å; L621-W649 HydrophobicContact CD2-CH2 3.77Å; L621-W649 HydrophobicContact CD2-CZ2 3.95Å; L621-W649 HydrophobicContact CG-CH2 3.79Å; L621-W649 HydrophobicContact CG-CZ2 4.11Å; L621-W649 VanDerWaalsContact O-CZ2 3.26Å; L621-W649 WeakPolarHBondContact O-CZ2 3.32Å; C641-W649 VanDerWaalsContact C-CE3 3.46Å; Y642-W649 AromaticContact CD2-CD1 3.86Å; Y642-W649 HydrophobicContact CD2-CD2 4.25Å; Y642-W649 AromaticContact CD2-CE2 3.95Å; Y642-W649 HydrophobicContact CD2-CG 4.2Å; Y642-W649 AromaticContact CD2-NE1 3.69Å; W649-M659 WeakPolarHBondContact O-CA 3.25Å; W649-C660 WeakPolarHBondContact CB-O 3.43Å; W649-C660 VanDerWaalsContact CB-SG 3.53Å; W649-C660 PolarHBondContact O-N 3.5Å; W649-M662 HydrophobicContact CZ2-SD 4.05Å; W649-V665 HydrophobicContact CB-CG2 4.22Å; W649-V665 HydrophobicContact CD2-CG2 3.8Å; W649-V665 HydrophobicContact CE3-CG1 4.24Å; W649-V665 HydrophobicContact CE3-CG2 3.78Å; W649-V665 HydrophobicContact CG-CG2 4.01Å; W649-V665 HydrophobicContact CH2-CG1 4.21Å; W649-V665 HydrophobicContact CZ3-CG1 4.05Å; W649-V665 HydrophobicContact CZ3-CG2 4.41Å
650	V	96.8	Very high	93.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.9	178.1	-171	0	0	0	0	110.1	V272 Y640 C641 N643 F648 L657	V272-V650 HydrophobicContact CG2-CG2 4.49Å; Y640-V650 CarbonylContact C-O 3.57Å; Y640-V650 WeakPolarHBondContact CA-O 3.46Å; C641-V650 PolarHBondContact N-O 3.45Å; C641-V650 PolarHBondContact O-N 2.91Å; N643-V650 HydrophobicContact CB-CG2 4.37Å; F648-V650 HydrophobicContact CD2-CG2 3.52Å; F648-V650 HydrophobicContact CE2-CG2 3.34Å; V650-L657 HydrophobicContact CG1-CB 3.81Å; V650-L657 HydrophobicContact CG1-CD2 3.56Å; V650-L657 HydrophobicContact CG1-CG 4.19Å
651	H	97.9	Very high	93.5	Very high	36 Å²	36	49.1 Å²	49.1	17%	0.167	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.3	167.8	-173	-156	0	0	0	110.1	T638 A639 Y640 L657 S658	T638-H651 WeakPolarHBondContact CB-NE2 3.3Å; T638-H651 PolarHBondContact OG1-NE2 3.43Å; A639-H651 CarbonylContact O-C 2.85Å; Y640-H651 HydrophobicContact CD1-CB 3.67Å; Y640-H651 AromaticContact CD1-CD2 3.96Å; Y640-H651 AromaticContact CD1-CG 3.98Å; Y640-H651 HydrophobicContact CE1-CB 3.42Å; Y640-H651 VanDerWaalsContact CE1-CB 3.42Å; Y640-H651 AromaticContact CE1-CD2 3.72Å; Y640-H651 AromaticContact CE1-CG 3.51Å; H651-L657 VanDerWaalsContact O-CA 3.28Å; H651-L657 WeakPolarHBondContact O-CA 3.31Å; H651-S658 PolarHBondContact N-O 3.47Å; H651-S658 PolarHBondContact O-N 3.48Å
652	C	97.6	Very high	93.4	Very high	3 Å²	3	51 Å²	51	2%	0.02	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	108.4	176.9	-58.7	0	0	0	0	110.3	Q289 A639	Q289-C652 HydrophobicContact CB-CB 4.14Å; Q289-C652 HydrophobicContact CG-CB 3.87Å; A639-C652 HydrophobicContact CB-CB 4.44Å; A639-C652 PolarHBondContact N-O 2.89Å; A639-C652 WeakPolarHBondContact O-CA 3.09Å; A639-C652 PolarHBondContact O-N 2.98Å
653	N	96	Very high	93.3	Very high	50 Å²	50	51.1 Å²	51.1	27%	0.267	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	80.9	173.6	-176.4	-4.1	0	0	0	109.5	H636 T638 S655 K656	H636-N653 PolarHBondContact NE2-OD1 3.03Å; T638-N653 HydrophobicContact CG2-CB 3.87Å; N653-S655 PolarHBondContact O-N 2.9Å; N653-K656 CarbonylContact C-O 3.48Å; N653-K656 WeakPolarHBondContact CA-O 3.45Å; N653-K656 PolarHBondContact N-O 3.27Å; N653-K656 PolarHBondContact O-N 2.6Å
654	D	95.3	Very high	93.3	Very high	15 Å²	15	55.5 Å²	55.5	8%	0.08	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	-112.4	-172.7	-63.6	-44.2	0	0	0	111.2	G274 L275 N277 N285 H636 K656	G274-D654 CarbonylContact C-O 3.42Å; G274-D654 VanDerWaalsContact CA-O 3.32Å; G274-D654 WeakPolarHBondContact CA-O 3.33Å; L275-D654 PolarHBondContact N-O 2.72Å; L275-D654 CarbonylContact O-C 3.46Å; L275-D654 WeakPolarHBondContact O-CA 3.43Å; L275-D654 WeakPolarHBondContact O-CB 3.43Å; N277-D654 HydrophobicContact CB-CB 4.03Å; N277-D654 WeakPolarHBondContact CB-OD2 3.33Å; N277-D654 PolarHBondContact ND2-OD2 2.87Å; N285-D654 WeakPolarHBondContact CB-OD1 3.46Å; N285-D654 PolarHBondContact ND2-OD1 2.82Å; H636-D654 IonicContact CE1-OD2 3.75Å; H636-D654 PolarHBondContact CE1-OD2 3.21Å; H636-D654 VanDerWaalsContact CE1-OD2 3.23Å; D654-K656 VanDerWaalsContact C-N 3.27Å; D654-K656 PolarHBondContact O-N 3.24Å
655	S	90.1	Very high	93.7	Very high	56 Å²	56	54 Å²	54	39%	0.392	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.2	-179.4	57.3	0	0	0	0	114.3	L275 L399 N653	L275-S655 PolarHBondContact O-N 3.29Å; L399-S655 VanDerWaalsContact CD1-CB 3.49Å; N653-S655 PolarHBondContact O-N 2.9Å
656	K	87.4	Confident	94.1	Very high	147 Å²	147	50.6 Å²	50.6	64%	0.639	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.2	-174.7	-64.3	177.6	-176.6	170.1	0	109.6	N653 D654	N653-K656 CarbonylContact C-O 3.48Å; N653-K656 WeakPolarHBondContact CA-O 3.45Å; N653-K656 PolarHBondContact N-O 3.27Å; N653-K656 PolarHBondContact O-N 2.6Å; D654-K656 VanDerWaalsContact C-N 3.27Å; D654-K656 PolarHBondContact O-N 3.24Å
657	L	92.3	Very high	94.6	Very high	44 Å²	44	55.3 Å²	55.3	23%	0.23	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.5	169.4	-60.3	97.9	0	0	0	110.4	V272 V650 H651	V272-L657 HydrophobicContact CG1-CB 4.17Å; V272-L657 HydrophobicContact CG1-CD2 4.13Å; V650-L657 HydrophobicContact CG1-CB 3.81Å; V650-L657 HydrophobicContact CG1-CD2 3.56Å; V650-L657 HydrophobicContact CG1-CG 4.19Å; H651-L657 VanDerWaalsContact O-CA 3.28Å; H651-L657 WeakPolarHBondContact O-CA 3.31Å
658	S	92.8	Very high	94.7	Very high	60 Å²	60	53.4 Å²	53.4	42%	0.42	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.3	170.5	54.4	0	0	0	0	109.3	H651	H651-S658 PolarHBondContact N-O 3.47Å; H651-S658 PolarHBondContact O-N 3.48Å
659	M	94.3	Very high	94.7	Very high	150 Å²	150	54.2 Å²	54.2	74%	0.739	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	145.7	168.4	-64.6	-179.5	-65.8	0	0	109.4	F648 W649	F648-M659 HydrophobicContact CD2-CG 4.09Å; F648-M659 HydrophobicContact CD2-SD 4.45Å; F648-M659 HydrophobicContact CE2-CG 4.21Å; W649-M659 WeakPolarHBondContact O-CA 3.25Å
660	C	94.9	Very high	94.7	Very high	17 Å²	17	53.4 Å²	53.4	12%	0.115	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	163.8	178.2	53.2	0	0	0	0	111.1	Y640 W649 E664	Y640-C660 HydrophobicContact CD1-CB 4.38Å; Y640-C660 WeakPolarHBondContact CD1-SG 3.29Å; Y640-C660 HydrophobicContact CE1-CB 3.94Å; Y640-C660 WeakPolarHBondContact CE1-SG 3.44Å; W649-C660 WeakPolarHBondContact CB-O 3.43Å; W649-C660 VanDerWaalsContact CB-SG 3.53Å; W649-C660 PolarHBondContact O-N 3.5Å; C660-E664 WeakPolarHBondContact CA-OE2 3.28Å; C660-E664 HydrophobicContact CB-CB 4.39Å; C660-E664 WeakPolarHBondContact CB-OE2 3.43Å
661	T	95.9	Very high	94.7	Very high	79 Å²	79	53.5 Å²	53.5	49%	0.485	28%	0.279	S	S	.	.			trans	-95	159.8	177.1	64.1	0	0	0	0	111	D663 E664 V665	T661-D663 PolarHBondContact O-N 3.28Å; T661-E664 PolarHBondContact N-OE2 3.5Å; T661-E664 WeakPolarHBondContact O-CB 3.25Å; T661-E664 PolarHBondContact O-N 2.9Å; T661-E664 VanDerWaalsContact O-N 3.14Å; T661-E664 WeakPolarHBondContact OG1-CG 3.43Å; T661-E664 PolarHBondContact OG1-N 3.23Å; T661-E664 PolarHBondContact OG1-OE2 3.24Å; T661-V665 WeakPolarHBondContact O-CG2 3.35Å; T661-V665 PolarHBondContact O-N 2.68Å; T661-V665 VanDerWaalsContact O-N 3.15Å
662	M	95.2	Very high	94.7	Very high	40 Å²	40	51.9 Å²	51.9	20%	0.197	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-35.8	176.3	-171.9	63.1	-157.5	0	0	112.4	E596 L621 W649 E664 V665 C666	E596-M662 VanDerWaalsContact CA-CE 3.43Å; E596-M662 HydrophobicContact CB-CE 3.51Å; E596-M662 HydrophobicContact CB-CG 4.49Å; E596-M662 HydrophobicContact CB-SD 4.23Å; E596-M662 HydrophobicContact CG-CE 3.98Å; E596-M662 HydrophobicContact CG-SD 4.16Å; L621-M662 HydrophobicContact CD2-CE 3.62Å; W649-M662 HydrophobicContact CZ2-SD 4.05Å; M662-E664 PolarHBondContact O-N 3.48Å; M662-V665 WeakPolarHBondContact O-CB 3.38Å; M662-V665 PolarHBondContact O-N 3.09Å; M662-V665 VanDerWaalsContact O-N 3.15Å; M662-C666 WeakPolarHBondContact CE-SG 3.49Å; M662-C666 PolarHBondContact O-N 2.99Å
663	D	95.3	Very high	94.7	Very high	91 Å²	91	51.7 Å²	51.7	49%	0.487	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-40.2	176.7	175	71.6	0	0	0	112.4	T661 V665 C666 K667	T661-D663 PolarHBondContact O-N 3.28Å; D663-V665 VanDerWaalsContact C-N 3.31Å; D663-V665 PolarHBondContact O-N 3.07Å; D663-C666 PolarHBondContact O-N 3.38Å; D663-K667 VanDerWaalsContact CG-NZ 3.31Å; D663-K667 VanDerWaalsContact O-CG 3.32Å; D663-K667 WeakPolarHBondContact O-CG 3.27Å; D663-K667 PolarHBondContact O-N 2.96Å; D663-K667 VanDerWaalsContact O-N 3.16Å; D663-K667 VanDerWaalsContact OD1-CE 3.25Å; D663-K667 WeakPolarHBondContact OD1-CE 3.43Å; D663-K667 IonicContact OD1-NZ 3.22Å; D663-K667 PolarHBondContact OD1-NZ 3.08Å; D663-K667 WeakPolarHBondContact OD2-CE 3.12Å; D663-K667 IonicContact OD2-NZ 2.64Å; D663-K667 PolarHBondContact OD2-NZ 2.93Å
664	E	95.6	Very high	94.9	Very high	92 Å²	92	49.4 Å²	49.4	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-35.5	173.7	-69.6	171.2	144.3	0	0	112	C660 T661 M662	C660-E664 WeakPolarHBondContact CA-OE2 3.28Å; C660-E664 HydrophobicContact CB-CB 4.39Å; C660-E664 WeakPolarHBondContact CB-OE2 3.43Å; T661-E664 PolarHBondContact N-OE2 3.5Å; T661-E664 WeakPolarHBondContact O-CB 3.25Å; T661-E664 PolarHBondContact O-N 2.9Å; T661-E664 VanDerWaalsContact O-N 3.14Å; T661-E664 WeakPolarHBondContact OG1-CG 3.43Å; T661-E664 PolarHBondContact OG1-N 3.23Å; T661-E664 PolarHBondContact OG1-OE2 3.24Å; M662-E664 PolarHBondContact O-N 3.48Å
665	V	96.8	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-49.4	176.5	178.7	0	0	0	0	110.1	F594 L621 V624 Y640 W649 T661 M662 D663 K667 A668	F594-V665 HydrophobicContact CE2-CG1 4.28Å; F594-V665 WeakPolarHBondContact CZ-O 3.14Å; L621-V665 HydrophobicContact CD2-CG1 3.84Å; V624-V665 HydrophobicContact CG2-CG1 3.72Å; Y640-V665 HydrophobicContact CD1-CG2 3.98Å; Y640-V665 HydrophobicContact CD2-CG1 4.39Å; Y640-V665 HydrophobicContact CD2-CG2 4.35Å; Y640-V665 HydrophobicContact CE1-CG2 4.45Å; Y640-V665 HydrophobicContact CG-CG1 4.41Å; Y640-V665 HydrophobicContact CG-CG2 3.91Å; W649-V665 HydrophobicContact CB-CG2 4.22Å; W649-V665 HydrophobicContact CD2-CG2 3.8Å; W649-V665 HydrophobicContact CE3-CG1 4.24Å; W649-V665 HydrophobicContact CE3-CG2 3.78Å; W649-V665 HydrophobicContact CG-CG2 4.01Å; W649-V665 HydrophobicContact CH2-CG1 4.21Å; W649-V665 HydrophobicContact CZ3-CG1 4.05Å; W649-V665 HydrophobicContact CZ3-CG2 4.41Å; T661-V665 WeakPolarHBondContact O-CG2 3.35Å; T661-V665 PolarHBondContact O-N 2.68Å; T661-V665 VanDerWaalsContact O-N 3.15Å; M662-V665 WeakPolarHBondContact O-CB 3.38Å; M662-V665 PolarHBondContact O-N 3.09Å; M662-V665 VanDerWaalsContact O-N 3.15Å; D663-V665 VanDerWaalsContact C-N 3.31Å; D663-V665 PolarHBondContact O-N 3.07Å; V665-K667 PolarHBondContact O-N 3.01Å; V665-A668 WeakPolarHBondContact O-CB 3.36Å; V665-A668 PolarHBondContact O-N 3.17Å
666	C	95.3	Very high	95.2	Very high	34 Å²	34	47.8 Å²	47.8	23%	0.23	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-29.7	178.4	-75.3	0	0	0	0	113.5	H591 F594 M662 D663 A668	H591-C666 PolarHBondContact CE1-O 2.95Å; H591-C666 VanDerWaalsContact CE1-O 3.29Å; F594-C666 PolarHBondContact O-SG 3.09Å; M662-C666 WeakPolarHBondContact CE-SG 3.49Å; M662-C666 PolarHBondContact O-N 2.99Å; D663-C666 PolarHBondContact O-N 3.38Å; C666-A668 PolarHBondContact O-N 3.3Å
667	K	94.3	Very high	95.5	Very high	131 Å²	131	42.7 Å²	42.7	57%	0.57	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.9	175.8	-72.7	168.9	-178.1	167.6	0	113.7	D663 V665	D663-K667 VanDerWaalsContact CG-NZ 3.31Å; D663-K667 VanDerWaalsContact O-CG 3.32Å; D663-K667 WeakPolarHBondContact O-CG 3.27Å; D663-K667 PolarHBondContact O-N 2.96Å; D663-K667 VanDerWaalsContact O-N 3.16Å; D663-K667 VanDerWaalsContact OD1-CE 3.25Å; D663-K667 WeakPolarHBondContact OD1-CE 3.43Å; D663-K667 IonicContact OD1-NZ 3.22Å; D663-K667 PolarHBondContact OD1-NZ 3.08Å; D663-K667 WeakPolarHBondContact OD2-CE 3.12Å; D663-K667 IonicContact OD2-NZ 2.64Å; D663-K667 PolarHBondContact OD2-NZ 2.93Å; V665-K667 PolarHBondContact O-N 3.01Å
668	A	94.1	Very high	95.2	Very high	7 Å²	7	45.1 Å²	45.1	6%	0.058	23%	0.231	C	C	.	.	S	Bend	trans	-65.9	147.9	-176.5	0	0	0	0	0	113	H591 F594 V624 M626 Y640 V665 C666 A670	H591-A668 PolarHBondContact CE1-O 3.33Å; H591-A668 VanDerWaalsContact CE1-O 3.31Å; H591-A668 PolarHBondContact ND1-O 3.07Å; F594-A668 HydrophobicContact CZ-CB 4.34Å; V624-A668 HydrophobicContact CG1-CB 4.45Å; M626-A668 HydrophobicContact CG-CB 4.03Å; M626-A668 HydrophobicContact SD-CB 3.79Å; Y640-A668 HydrophobicContact CD2-CB 4.02Å; Y640-A668 HydrophobicContact CE2-CB 3.7Å; V665-A668 WeakPolarHBondContact O-CB 3.36Å; V665-A668 PolarHBondContact O-N 3.17Å; C666-A668 PolarHBondContact O-N 3.3Å; A668-A670 VanDerWaalsContact C-N 3.25Å; A668-A670 PolarHBondContact O-N 2.99Å
669	Q	93.9	Very high	94.1	Very high	69 Å²	69	46.1 Å²	46.1	32%	0.322	23%	0.234	S	C	.	.			trans	-80	77.1	168.2	-69.6	-65.6	-33.7	0	0	109.6	V590 H591 Y671	V590-Q669 PolarHBondContact O-OE1 2.97Å; H591-Q669 VanDerWaalsContact CB-NE2 3.26Å; H591-Q669 PolarHBondContact ND1-NE2 3.48Å; Q669-Y671 PolarHBondContact O-N 3.29Å
670	A	96.6	Very high	92.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	134	-176.5	0	0	0	0	0	111.8	L574 R576 F594 V624 A668 L673	L574-A670 HydrophobicContact CD1-CB 4.31Å; L574-A670 WeakPolarHBondContact CD1-O 3.38Å; R576-A670 PolarHBondContact NE-O 3.26Å; R576-A670 PolarHBondContact NH2-O 3.15Å; F594-A670 HydrophobicContact CD1-CB 4.07Å; F594-A670 HydrophobicContact CE1-CB 3.54Å; F594-A670 HydrophobicContact CZ-CB 4.18Å; V624-A670 HydrophobicContact CG1-CB 3.64Å; A668-A670 VanDerWaalsContact C-N 3.25Å; A668-A670 PolarHBondContact O-N 2.99Å; A670-L673 HydrophobicContact CB-CD1 4.39Å; A670-L673 HydrophobicContact CB-CD2 3.7Å; A670-L673 HydrophobicContact CB-CG 3.97Å
671	Y	97.1	Very high	89.4	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-43.4	172.7	175.1	-115.8	0	0	0	110.6	D423 A424 Q425 H573 L574 F577 V625 H627 Y637 Q669	D423-Y671 VanDerWaalsContact CG-OH 3.24Å; D423-Y671 PolarHBondContact OD1-OH 3.38Å; D423-Y671 PolarHBondContact OD2-OH 2.85Å; A424-Y671 HydrophobicContact CB-CE1 4.34Å; Q425-Y671 HydrophobicContact CB-CE1 4.3Å; H573-Y671 AromaticContact CD2-CE2 3.78Å; H573-Y671 AromaticContact CD2-CZ 3.75Å; H573-Y671 AromaticContact NE2-CE2 3.48Å; H573-Y671 WeakPolarHBondContact NE2-CE2 3.33Å; H573-Y671 AromaticContact NE2-CZ 3.51Å; H573-Y671 PolarHBondContact NE2-OH 2.98Å; H573-Y671 VanDerWaalsContact NE2-OH 3.13Å; L574-Y671 PolarHBondContact N-O 3.03Å; F577-Y671 HydrophobicContact CD2-CE2 4.41Å; F577-Y671 HydrophobicContact CE2-CE2 4.1Å; V625-Y671 HydrophobicContact CG1-CD1 4.39Å; V625-Y671 WeakPolarHBondContact O-CA 3.35Å; V625-Y671 WeakPolarHBondContact O-CB 3.31Å; V625-Y671 PolarHBondContact O-N 2.98Å; H627-Y671 HydrophobicContact CB-CG 4.26Å; Y637-Y671 HydrophobicContact CD1-CD1 4.42Å; Y637-Y671 AromaticContact CE1-CD1 3.7Å; Y637-Y671 HydrophobicContact CE1-CD1 3.7Å; Y637-Y671 AromaticContact CE1-CE1 3.84Å; Y637-Y671 HydrophobicContact CE1-CE1 3.84Å; Q669-Y671 PolarHBondContact O-N 3.29Å
672	I	98.3	Very high	86.4	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.7	169.9	-48.2	168.1	0	0	0	108.1	Q425 L572 V624 V625 F674	Q425-I672 HydrophobicContact CB-CD1 3.85Å; Q425-I672 HydrophobicContact CB-CG1 4.48Å; L572-I672 CarbonylContact O-C 3.57Å; L572-I672 WeakPolarHBondContact O-CA 3.47Å; V624-I672 WeakPolarHBondContact CA-O 3.36Å; V625-I672 HydrophobicContact CB-CB 4.07Å; V625-I672 HydrophobicContact CB-CD1 4.46Å; V625-I672 HydrophobicContact CB-CG1 4.41Å; V625-I672 HydrophobicContact CG2-CB 4.4Å; V625-I672 PolarHBondContact N-O 3.1Å; V625-I672 PolarHBondContact O-N 3.35Å; I672-F674 HydrophobicContact CB-CE2 3.95Å; I672-F674 HydrophobicContact CG2-CD2 4.08Å; I672-F674 HydrophobicContact CG2-CE2 3.39Å; I672-F674 HydrophobicContact CG2-CZ 3.76Å
673	L	98.5	Very high	83.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.1	173.7	-63.3	159.8	0	0	0	109.4	V517 R571 L572 F594 L621 V624 A670 Y675	V517-L673 HydrophobicContact CG1-CD1 4.5Å; V517-L673 HydrophobicContact CG2-CD1 3.58Å; R571-L673 WeakPolarHBondContact CA-O 3.26Å; L572-L673 HydrophobicContact CB-CB 4.23Å; L572-L673 PolarHBondContact N-O 3.32Å; L572-L673 PolarHBondContact O-N 2.84Å; F594-L673 HydrophobicContact CB-CD1 4.2Å; F594-L673 HydrophobicContact CD1-CD1 4.34Å; F594-L673 HydrophobicContact CD1-CD2 3.94Å; F594-L673 HydrophobicContact CD2-CD2 3.75Å; F594-L673 HydrophobicContact CE1-CD2 4.04Å; F594-L673 HydrophobicContact CE2-CD2 3.82Å; F594-L673 HydrophobicContact CG-CD1 4.23Å; F594-L673 HydrophobicContact CG-CD2 3.81Å; F594-L673 HydrophobicContact CZ-CD2 3.95Å; L621-L673 HydrophobicContact CD1-CD2 4.02Å; V624-L673 HydrophobicContact CB-CD2 4.37Å; V624-L673 HydrophobicContact CG1-CD2 3.92Å; V624-L673 HydrophobicContact CG2-CD2 3.84Å; A670-L673 HydrophobicContact CB-CD1 4.39Å; A670-L673 HydrophobicContact CB-CD2 3.7Å; A670-L673 HydrophobicContact CB-CG 3.97Å; L673-Y675 HydrophobicContact CB-CD2 4.13Å; L673-Y675 HydrophobicContact CB-CE2 3.79Å; L673-Y675 HydrophobicContact CD1-CE2 4.23Å; L673-Y675 HydrophobicContact CG-CE2 4.44Å
674	F	98.4	Very high	80.3	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.5	175.3	-65.6	-102.5	0	0	0	108.7	V290 L294 L428 F469 V569 L570 R571 S622 A623 V625 I672	V290-F674 HydrophobicContact CG1-CD1 3.84Å; V290-F674 HydrophobicContact CG1-CD2 3.73Å; V290-F674 HydrophobicContact CG1-CE1 3.8Å; V290-F674 HydrophobicContact CG1-CE2 3.73Å; V290-F674 HydrophobicContact CG1-CG 3.8Å; V290-F674 HydrophobicContact CG1-CZ 3.76Å; V290-F674 HydrophobicContact CG2-CE2 4.38Å; L294-F674 HydrophobicContact CD1-CD1 4.36Å; L428-F674 HydrophobicContact CD2-CE1 3.96Å; L428-F674 HydrophobicContact CD2-CZ 3.6Å; F469-F674 HydrophobicContact CE1-CD1 4.35Å; F469-F674 HydrophobicContact CE1-CE1 4.36Å; V569-F674 HydrophobicContact CG1-CD1 4.3Å; L570-F674 WeakPolarHBondContact O-CA 3.27Å; R571-F674 HydrophobicContact CG-CD1 3.72Å; R571-F674 HydrophobicContact CG-CE1 3.57Å; R571-F674 HydrophobicContact CG-CZ 4.37Å; S622-F674 PolarHBondContact N-O 3.36Å; A623-F674 HydrophobicContact CB-CB 4.07Å; A623-F674 HydrophobicContact CB-CD2 4.17Å; A623-F674 HydrophobicContact CB-CG 4.35Å; A623-F674 PolarHBondContact N-O 3.32Å; A623-F674 PolarHBondContact O-N 2.98Å; V625-F674 HydrophobicContact CG2-CE2 3.95Å; I672-F674 HydrophobicContact CB-CE2 3.95Å; I672-F674 HydrophobicContact CG2-CD2 4.08Å; I672-F674 HydrophobicContact CG2-CE2 3.39Å; I672-F674 HydrophobicContact CG2-CZ 3.76Å
675	Y	97.8	Very high	77.3	Confident	1 Å²	1	57.5 Å²	57.5	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.6	-179.5	-83.3	-78.7	0	0	0	108.3	V569 L570 L572 E595 L598 Y619 D620 L621 L673	V569-Y675 CarbonylContact C-O 3.54Å; V569-Y675 VanDerWaalsContact CA-O 3.26Å; V569-Y675 WeakPolarHBondContact CA-O 3.41Å; L570-Y675 PolarHBondContact N-O 2.91Å; L570-Y675 PolarHBondContact O-N 2.87Å; L572-Y675 HydrophobicContact CD1-CD2 4.12Å; L572-Y675 HydrophobicContact CD1-CE2 4.07Å; E595-Y675 PolarHBondContact O-OH 3.2Å; E595-Y675 VanDerWaalsContact O-OH 3.05Å; L598-Y675 HydrophobicContact CB-CD1 3.84Å; L598-Y675 HydrophobicContact CB-CE1 3.64Å; L598-Y675 HydrophobicContact CB-CG 4.43Å; L598-Y675 HydrophobicContact CD2-CD1 4.37Å; L598-Y675 HydrophobicContact CD2-CD2 3.93Å; L598-Y675 HydrophobicContact CD2-CE1 4.37Å; L598-Y675 HydrophobicContact CD2-CE2 3.92Å; L598-Y675 HydrophobicContact CD2-CG 4.15Å; Y619-Y675 WeakPolarHBondContact CD1-O 3.15Å; D620-Y675 CarbonylContact O-C 3.57Å; D620-Y675 WeakPolarHBondContact O-CA 3.18Å; L621-Y675 HydrophobicContact CB-CD1 4.14Å; L621-Y675 HydrophobicContact CB-CE1 3.77Å; L621-Y675 HydrophobicContact CD1-CD1 4.15Å; L621-Y675 HydrophobicContact CD1-CD2 4.25Å; L621-Y675 HydrophobicContact CD1-CE1 3.69Å; L621-Y675 HydrophobicContact CD1-CE2 3.81Å; L621-Y675 HydrophobicContact CD1-CG 4.41Å; L621-Y675 HydrophobicContact CG-CE1 4.33Å; L673-Y675 HydrophobicContact CB-CD2 4.13Å; L673-Y675 HydrophobicContact CB-CE2 3.79Å; L673-Y675 HydrophobicContact CD1-CE2 4.23Å; L673-Y675 HydrophobicContact CG-CE2 4.44Å
676	T	95.7	Very high	74.1	Confident	36 Å²	36	66.2 Å²	66.2	22%	0.221	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.2	176.7	-60.7	0	0	0	0	109.9	V569 Y619 D620 S622 R678	V569-T676 HydrophobicContact CG2-CG2 4.37Å; Y619-T676 WeakPolarHBondContact CA-O 3.35Å; Y619-T676 VanDerWaalsContact CD1-C 3.45Å; D620-T676 PolarHBondContact N-O 3.48Å; D620-T676 PolarHBondContact O-N 2.89Å; S622-T676 VanDerWaalsContact OG-CB 3.27Å; S622-T676 WeakPolarHBondContact OG-CB 3.47Å; S622-T676 PolarHBondContact OG-OG1 2.92Å; T676-R678 PolarHBondContact O-N 3.43Å
677	Q	92.8	Very high	71.4	Confident	40 Å²	40	70 Å²	70	19%	0.187	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	131.7	179.6	-168.5	-179.5	37.2	0	0	110	Q568 C616 Y619 V679	Q568-Q677 WeakPolarHBondContact O-CB 3.27Å; Q568-Q677 PolarHBondContact O-N 3.31Å; C616-Q677 PolarHBondContact O-NE2 2.85Å; Y619-Q677 HydrophobicContact CD1-CB 4.09Å; Y619-Q677 VanDerWaalsContact CD1-N 3.26Å; Y619-Q677 HydrophobicContact CE1-CB 3.62Å; Y619-Q677 HydrophobicContact CE1-CG 4.32Å; Y619-Q677 HydrophobicContact CE2-CB 4.39Å; Y619-Q677 HydrophobicContact CE2-CG 4.22Å; Q677-V679 PolarHBondContact O-N 2.82Å
678	R	87.1	Confident	68.6	Low	95 Å²	95	66.7 Å²	66.7	36%	0.358	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-74.8	118.9	177.6	-168.9	-179.9	-71.9	174.7	-3.7	109	I597 I618 D620 T676	I597-R678 VanDerWaalsContact CD1-NH2 3.3Å; I618-R678 WeakPolarHBondContact O-CB 3.37Å; I618-R678 PolarHBondContact O-N 2.82Å; D620-R678 IonicContact OD1-CZ 3.34Å; D620-R678 IonicContact OD1-NE 3.3Å; D620-R678 PolarHBondContact OD1-NE 3Å; D620-R678 IonicContact OD1-NH2 2.64Å; D620-R678 PolarHBondContact OD1-NH2 2.79Å; D620-R678 IonicContact OD2-CZ 3.72Å; D620-R678 IonicContact OD2-NE 2.91Å; D620-R678 PolarHBondContact OD2-NE 2.84Å; D620-R678 IonicContact OD2-NH2 3.68Å; T676-R678 PolarHBondContact O-N 3.43Å
679	V	69.7	Low	65.6	Low	80 Å²	80	69.7 Å²	69.7	49%	0.485	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-99.3	116.4	176.3	-172.2	0	0	0	0	109.6	Q677 L688	Q677-V679 PolarHBondContact O-N 2.82Å; V679-L688 HydrophobicContact CB-CD1 4.06Å; V679-L688 HydrophobicContact CG1-CD1 3.7Å; V679-L688 HydrophobicContact CG2-CD1 4.09Å
680	T	51.2	Low	62.8	Low	70 Å²	70	68.9 Å²	68.9	43%	0.429	38%	0.384	S	S	.	.			trans	-100.4	94.1	173.4	56.1	0	0	0	0	110	E615	E615-T680 HydrophobicContact CB-CG2 4.17Å; E615-T680 HydrophobicContact CG-CG2 4.06Å
681	E	38.9	Very low	59.8	Low	106 Å²	106	76.2 Å²	76.2	50%	0.495	42%	0.418	S	S	.	.			trans	-94.3	103.8	156.1	-77.3	-174	163	0	0	107.6	L692	E681-L692 WeakPolarHBondContact OE1-CD1 3.43Å; E681-L692 WeakPolarHBondContact OE2-CD1 3.29Å
682	N	32.7	Very low	56.9	Low	155 Å²	155	81.1 Å²	81.1	83%	0.829	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	26.2	92.2	167.5	-68.6	-10.4	0	0	0	117.4	H684	N682-H684 PolarHBondContact O-N 2.93Å; N682-H684 VanDerWaalsContact O-N 3.15Å
683	G	33.9	Very low	54	Low	77 Å²	77	86.9 Å²	86.9	79%	0.794	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-1.6	145.4	0	0	0	0	0	119
684	H	28.7	Very low	51.3	Low	162 Å²	162	93.9 Å²	93.9	75%	0.75	50%	0.504	S	S	*	.	S	Bend	trans	-139.8	122.6	164.4	-80.1	-68.4	0	0	0	109.9	N682 K686	N682-H684 PolarHBondContact O-N 2.93Å; N682-H684 VanDerWaalsContact O-N 3.15Å; H684-K686 PolarHBondContact O-N 3.48Å
685	S	32.3	Very low	47.9	Very low	138 Å²	138	97.2 Å²	97.2	97%	0.965	54%	0.539	S	S	*	.			trans	-60	82.1	166.1	-53.8	0	0	0	0	109.7
686	K	29.4	Very low	44.6	Very low	183 Å²	183	102.6 Å²	102.6	80%	0.796	58%	0.577	S	S	*	*			trans	-123.6	116.8	163.9	-87.3	-175.7	177.4	177.7	0	107	H684 L688	H684-K686 PolarHBondContact O-N 3.48Å; K686-L688 PolarHBondContact O-N 2.97Å
687	L	38.7	Very low	41.4	Very low	115 Å²	115	110.3 Å²	110.3	60%	0.602	61%	0.61	S	S	*	*			trans	-39.9	126.2	167	-62.1	162	0	0	0	109.6	L295	L295-L687 HydrophobicContact CD2-CB 3.87Å; L295-L687 HydrophobicContact CD2-CD1 3.96Å; L295-L687 HydrophobicContact CD2-CD2 3.68Å; L295-L687 HydrophobicContact CD2-CG 4.03Å
688	L	34.4	Very low	38.2	Very low	60 Å²	60	116.6 Å²	116.6	31%	0.314	64%	0.639	S	S	.	*			trans	-41.2	126	-176.8	-116.9	144.8	0	0	0	112.6	V679 K686 L692	V679-L688 HydrophobicContact CB-CD1 4.06Å; V679-L688 HydrophobicContact CG1-CD1 3.7Å; V679-L688 HydrophobicContact CG2-CD1 4.09Å; K686-L688 PolarHBondContact O-N 2.97Å; L688-L692 HydrophobicContact CD2-CB 4.02Å
689	P	30.8	Very low	35.4	Very low	70 Å²	70	117.4 Å²	117.4	46%	0.455	66%	0.657	S	S	.	*			trans	-62.9	144.2	160.7	-16.4	30	0	0	0	109.4	E691	P689-E691 PolarHBondContact O-N 3.17Å
690	P	35.5	Very low	33.3	Very low	53 Å²	53	121.8 Å²	121.8	34%	0.344	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	7.8	-178.2	-22.3	34.3	0	0	0	116.4
691	E	34.7	Very low	32.4	Very low	154 Å²	154	126.7 Å²	126.7	72%	0.72	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-2.3	-166.4	-68.3	171.1	178.3	0	0	113.4	P689 F694	P689-E691 PolarHBondContact O-N 3.17Å; E691-F694 WeakPolarHBondContact O-CD2 3.49Å
692	L	35.7	Very low	31.8	Very low	105 Å²	105	129.8 Å²	129.8	55%	0.55	72%	0.716	S	S	.	*	S	Bend	trans	-109.4	11.7	179.9	-67	174.9	0	0	0	114.9	E681 L688 F694	E681-L692 WeakPolarHBondContact OE1-CD1 3.43Å; E681-L692 WeakPolarHBondContact OE2-CD1 3.29Å; L688-L692 HydrophobicContact CD2-CB 4.02Å; L692-F694 PolarHBondContact O-N 3.3Å
693	L	37.5	Very low	31.6	Very low	122 Å²	122	126.6 Å²	126.6	64%	0.639	71%	0.711	S	S	*	*	S	Bend	trans	-74.4	5.6	162.3	-71.8	171.7	0	0	0	112.8
694	F	41.5	Very low	31.3	Very low	148 Å²	148	130.2 Å²	130.2	65%	0.649	71%	0.712	S	S	*	*			trans	-108.4	84	-175.6	-60	-78.5	0	0	0	110.5	E691 L692	E691-F694 WeakPolarHBondContact O-CD2 3.49Å; L692-F694 PolarHBondContact O-N 3.3Å
695	G	26.9	Very low	31.3	Very low	71 Å²	71	129.8 Å²	129.8	73%	0.732	72%	0.721	S	S	*	*			trans	-149.8	95.5	169.4	0	0	0	0	0	109.5	Q697	G695-Q697 PolarHBondContact O-N 3.37Å
696	S	29	Very low	31	Very low	115 Å²	115	128.9 Å²	128.9	80%	0.804	72%	0.715	S	S	*	*			trans	-62.9	125.9	178.7	51.6	0	0	0	0	112
697	Q	27.4	Very low	31	Very low	197 Å²	197	125.9 Å²	125.9	92%	0.921	72%	0.717	S	S	*	*			trans	-113.5	89.6	150.1	-74.7	-174.5	-2.7	0	0	107.5	G695	G695-Q697 PolarHBondContact O-N 3.37Å
698	H	26.2	Very low	30.5	Very low	172 Å²	172	128.4 Å²	128.4	80%	0.796	73%	0.731	S	S	*	*			trans	-98.4	128.9	153.4	-104	-69.7	0	0	0	106.5
699	P	29.2	Very low	30.4	Very low	113 Å²	113	134.2 Å²	134.2	73%	0.734	76%	0.756	S	S	*	*			trans	-69.4	129.4	165.9	0.3	14.9	0	0	0	108.5	E701	P699-E701 PolarHBondContact O-N 3.44Å
700	N	25.8	Very low	30.4	Very low	171 Å²	171	137.7 Å²	137.7	91%	0.914	77%	0.77	S	S	*	*			trans	-68.2	104.2	166.8	-81.8	-19.8	0	0	0	108.7
701	E	30.3	Very low	30.4	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.813	79%	0.792	S	S	*	*			trans	-109.3	114.8	150.9	-75.7	-174.2	155.5	0	0	105.9	P699	P699-E701 PolarHBondContact O-N 3.44Å
702	D	27.4	Very low	30.4	Very low	170 Å²	170	144.4 Å²	144.4	91%	0.909	82%	0.822	S	S	*	*			trans	155.1	79.6	153.1	-78.6	-20.5	0	0	0	110.1
703	A	28.6	Very low	30.1	Very low	88 Å²	88	146.4 Å²	146.4	73%	0.727	84%	0.836	S	S	*	*			trans	-161.6	96.7	152.8	0	0	0	0	0	107.7
704	D	28.2	Very low	29.7	Very low	154 Å²	154	147.7 Å²	147.7	82%	0.824	85%	0.846	S	S	*	*			trans	164.4	105	139.7	-84.2	-18.4	0	0	0	109.5
705	T	27.8	Very low	29	Very low	152 Å²	152	147.7 Å²	147.7	93%	0.933	86%	0.857	S	S	*	*			trans	172.1	87.5	139.4	30.2	0	0	0	0	110.8
706	S	26.9	Very low	29.2	Very low	119 Å²	119	152.2 Å²	152.2	83%	0.832	86%	0.864	S	S	*	*			trans	-155.9	90	153.4	69.6	0	0	0	0	111.5
707	S	28.3	Very low	29.2	Very low	120 Å²	120	154.5 Å²	154.5	84%	0.839	87%	0.868	S	S	*	*			trans	-169.1	90.8	153.6	39	0	0	0	0	109.6
708	N	28.1	Very low	29.3	Very low	168 Å²	168	151.7 Å²	151.7	90%	0.898	87%	0.865	S	S	*	*			trans	-88.6	105.5	155.6	-92.9	-22.3	0	0	0	107.4
709	E	32.1	Very low	29.5	Very low	182 Å²	182	150.2 Å²	150.2	85%	0.85	87%	0.869	S	S	*	*			trans	-125.9	105.1	151.7	-75.8	-170.9	155.9	0	0	104.6
710	I	31.5	Very low	29.5	Very low	143 Å²	143	153.1 Å²	153.1	73%	0.733	88%	0.88	S	S	*	*				64.6	119.2	91.7	-64.4	178.9	0	0	0	113
711	L	34.7	Very low	29.9	Very low	157 Å²	157	151.6 Å²	151.6	82%	0.822	88%	0.877	S	S	*	*			trans	75.5	98.9	160.5	-69.3	157.3	0	0	0	118.1
712	S	34.5	Very low	29.8	Very low	192 Å²	192	149.5 Å²	149.5	100%	1.343	88%	0.883	S	S	*	*				168.9	0	91.5	-85.6	0	0	0	0	111.7

Retrieved 712 of 712 residues in 276.9 ms (Link to these results)

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