A0A096NJM2_PAPAN Loading...

LIM domain kinase 2

AlphaFold DB (A0A2I3N6A4), UniProt , Accession A0A096NJM2, Species PAPAN (Papio anubis, Olive baboon), Gene LIMK2, Length 638 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	36.6	Very low	48.1	Very low	247 Å²	247	130.3 Å²	130.3	100%	1.217	76%	0.757	S	S	*	*				0	152.9	0	-73.1	169	171.9	0	0	107.8
2	S	34.1	Very low	50.8	Low	122 Å²	122	119.5 Å²	119.5	85%	0.853	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-65.9	151.5	-161.3	-52.1	0	0	0	0	114.5
3	A	32.6	Very low	52.7	Low	103 Å²	103	114.8 Å²	114.8	85%	0.851	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-65	147.7	172.1	0	0	0	0	0	111.5
4	V	37.7	Very low	54.4	Low	140 Å²	140	109.8 Å²	109.8	85%	0.848	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-78.2	151.4	173.1	-179.7	0	0	0	0	109.4
5	A	37.8	Very low	56.1	Low	94 Å²	94	106.3 Å²	106.3	78%	0.777	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-60.6	153.4	179.8	0	0	0	0	0	112.5
6	G	39	Very low	57.5	Low	78 Å²	78	102.1 Å²	102.1	80%	0.804	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-71.1	149.4	-169.1	0	0	0	0	0	115.1
7	E	46.7	Very low	58.8	Low	178 Å²	178	101.9 Å²	101.9	83%	0.832	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-80.6	128.2	164.8	-58.8	178	136.3	0	0	109.3	V9	E7-V9 PolarHBondContact O-N 3.34Å; E7-V9 VanDerWaalsContact O-N 3.08Å
8	D	52.3	Low	60.1	Low	125 Å²	125	105.4 Å²	105.4	67%	0.668	62%	0.617	S	S	*	*			trans	-69	105	170.9	-85.2	-39	0	0	0	109.9	W10	D8-W10 HydrophobicContact CB-CH2 4.01Å; D8-W10 HydrophobicContact CB-CZ2 3.58Å; D8-W10 VanDerWaalsContact O-CD1 3.28Å; D8-W10 PolarHBondContact O-N 3.22Å; D8-W10 VanDerWaalsContact O-N 3.12Å; D8-W10 PolarHBondContact O-NE1 3.05Å
9	V	61.4	Low	61.1	Low	73 Å²	73	100.5 Å²	100.5	44%	0.442	59%	0.588	S	S	.	*			trans	-84.8	86.9	-179.1	-175.6	0	0	0	0	110.4	E7 R18	E7-V9 PolarHBondContact O-N 3.34Å; E7-V9 VanDerWaalsContact O-N 3.08Å; V9-R18 HydrophobicContact CG1-CB 4.13Å; V9-R18 HydrophobicContact CG1-CG 3.71Å
10	W	70.7	Confident	61.8	Low	110 Å²	110	97.3 Å²	97.3	42%	0.417	57%	0.574	S	S	.	*			trans	-53.1	137.3	172.6	-49.3	106	0	0	0	112.1	D8 R18 I19 T32	D8-W10 HydrophobicContact CB-CH2 4.01Å; D8-W10 HydrophobicContact CB-CZ2 3.58Å; D8-W10 VanDerWaalsContact O-CD1 3.28Å; D8-W10 PolarHBondContact O-N 3.22Å; D8-W10 VanDerWaalsContact O-N 3.12Å; D8-W10 PolarHBondContact O-NE1 3.05Å; W10-R18 WeakPolarHBondContact O-CA 3.45Å; W10-I19 HydrophobicContact CB-CB 4.23Å; W10-I19 HydrophobicContact CB-CD1 4.48Å; W10-I19 PolarHBondContact O-N 3.1Å; W10-T32 HydrophobicContact CD2-CG2 4.48Å; W10-T32 HydrophobicContact CE3-CG2 4.27Å
11	R	79.9	Confident	62	Low	163 Å²	163	99 Å²	99	62%	0.615	59%	0.588	S	S	*	*	B	Isolated β-bridge	trans	-121.2	144.2	171.3	-64.5	-167.6	-170.3	-149.1	13.5	110.7	P13 D17	R11-P13 WeakPolarHBondContact O-CD 3.42Å; R11-D17 CarbonylContact C-O 3.59Å; R11-D17 VanDerWaalsContact CA-O 3.23Å; R11-D17 WeakPolarHBondContact CA-O 3.39Å
12	C	80.9	Confident	63.5	Low	1 Å²	1	92.8 Å²	92.8	1%	0.007	57%	0.568	C	S	.	*			trans	-83.2	123.8	175.2	-177.6	0	0	0	0	111.4	G14 C15 G16 D17 I19 T32 H34	C12-G14 VanDerWaalsContact C-N 3.26Å; C12-G14 PolarHBondContact O-N 3.06Å; C12-G14 PolarHBondContact SG-N 3.31Å; C12-G14 VanDerWaalsContact SG-N 3.4Å; C12-C15 PolarHBondContact O-N 3.41Å; C12-G16 VanDerWaalsContact O-CA 3.27Å; C12-G16 WeakPolarHBondContact O-CA 3.4Å; C12-G16 PolarHBondContact O-N 3.15Å; C12-D17 PolarHBondContact N-O 3.43Å; C12-I19 HydrophobicContact CB-CD1 4.06Å; C12-I19 HydrophobicContact CB-CG1 4.07Å; C12-T32 WeakPolarHBondContact CA-O 3.27Å; C12-H34 WeakPolarHBondContact CB-ND1 3.41Å; C12-H34 PolarHBondContact SG-N 3.11Å; C12-H34 VanDerWaalsContact SG-N 3.38Å
13	P	75.8	Confident	65.3	Low	59 Å²	59	91 Å²	91	38%	0.383	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.1	173.9	-21.6	31.2	0	0	0	113.2	R11 C15 E31 T32 W33	R11-P13 WeakPolarHBondContact O-CD 3.42Å; P13-C15 VanDerWaalsContact C-N 3.32Å; P13-C15 PolarHBondContact O-N 3.16Å; P13-E31 HydrophobicContact CG-CB 3.92Å; P13-E31 HydrophobicContact CG-CG 4.13Å; P13-E31 WeakPolarHBondContact CG-OE1 3.43Å; P13-E31 VanDerWaalsContact CG-OE2 3.3Å; P13-E31 WeakPolarHBondContact CG-OE2 3.34Å; P13-T32 WeakPolarHBondContact CD-O 3.42Å; P13-W33 HydrophobicContact CB-CH2 3.98Å; P13-W33 HydrophobicContact CB-CZ2 3.66Å; P13-W33 HydrophobicContact CG-CD2 4.35Å; P13-W33 HydrophobicContact CG-CZ2 3.87Å
14	G	75.5	Confident	67.1	Low	44 Å²	44	92.3 Å²	92.3	45%	0.454	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-18	-177.9	0	0	0	0	0	116	C12	C12-G14 VanDerWaalsContact C-N 3.26Å; C12-G14 PolarHBondContact O-N 3.06Å; C12-G14 PolarHBondContact SG-N 3.31Å; C12-G14 VanDerWaalsContact SG-N 3.4Å
15	C	80.3	Confident	69	Low	58 Å²	58	91.4 Å²	91.4	39%	0.392	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-11.7	176.1	72.2	0	0	0	0	115.4	C12 P13 D17	C12-C15 PolarHBondContact O-N 3.41Å; P13-C15 VanDerWaalsContact C-N 3.32Å; P13-C15 PolarHBondContact O-N 3.16Å; C15-D17 VanDerWaalsContact C-N 3.29Å; C15-D17 PolarHBondContact O-N 3.29Å; C15-D17 PolarHBondContact SG-OD2 3.07Å
16	G	78.1	Confident	70.7	Confident	39 Å²	39	90.6 Å²	90.6	40%	0.402	50%	0.497	S	S	.	.			trans	84.9	-12.8	-178.6	0	0	0	0	0	115.5	C12	C12-G16 VanDerWaalsContact O-CA 3.27Å; C12-G16 WeakPolarHBondContact O-CA 3.4Å; C12-G16 PolarHBondContact O-N 3.15Å
17	D	81	Confident	72.4	Confident	99 Å²	99	94.1 Å²	94.1	53%	0.529	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-75.4	161.4	-176.1	-64.2	-58.5	0	0	0	113.8	R11 C12 C15 H34	R11-D17 CarbonylContact C-O 3.59Å; R11-D17 VanDerWaalsContact CA-O 3.23Å; R11-D17 WeakPolarHBondContact CA-O 3.39Å; C12-D17 PolarHBondContact N-O 3.43Å; C15-D17 VanDerWaalsContact C-N 3.29Å; C15-D17 PolarHBondContact O-N 3.29Å; C15-D17 PolarHBondContact SG-OD2 3.07Å; D17-H34 WeakPolarHBondContact CB-CE1 3.24Å; D17-H34 PolarHBondContact O-CE1 3.18Å; D17-H34 VanDerWaalsContact O-CE1 3.26Å
18	R	81	Confident	73.5	Confident	164 Å²	164	86 Å²	86	62%	0.619	45%	0.448	S	S	*	.	B	Isolated β-bridge	trans	-73.3	137.3	172.9	-62.3	177.6	175.7	-147.7	0.2	110.6	V9 W10 H34	V9-R18 HydrophobicContact CG1-CB 4.13Å; V9-R18 HydrophobicContact CG1-CG 3.71Å; W10-R18 WeakPolarHBondContact O-CA 3.45Å; R18-H34 PolarHBondContact O-CE1 3.46Å; R18-H34 PolarHBondContact O-NE2 3.26Å
19	I	78.6	Confident	74	Confident	12 Å²	12	86 Å²	86	6%	0.062	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-89.4	117.8	173	-57.9	172.6	0	0	0	108.1	W10 C12 W25 T32 H34	W10-I19 HydrophobicContact CB-CB 4.23Å; W10-I19 HydrophobicContact CB-CD1 4.48Å; W10-I19 PolarHBondContact O-N 3.1Å; C12-I19 HydrophobicContact CB-CD1 4.06Å; C12-I19 HydrophobicContact CB-CG1 4.07Å; I19-W25 HydrophobicContact CD1-CB 4.48Å; I19-W25 HydrophobicContact CG2-CB 3.84Å; I19-W25 HydrophobicContact CG2-CG 3.97Å; I19-T32 WeakPolarHBondContact CD1-O 3.5Å; I19-H34 WeakPolarHBondContact CA-NE2 3.29Å
20	A	75.9	Confident	74	Confident	37 Å²	37	88.6 Å²	88.6	31%	0.306	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-80.1	147.1	175.9	0	0	0	0	0	111	S22 Q23	A20-S22 PolarHBondContact O-N 3.26Å; A20-Q23 HydrophobicContact CB-CG 4.15Å; A20-Q23 PolarHBondContact O-N 3.06Å
21	P	66.1	Low	74.4	Confident	134 Å²	134	86.6 Å²	86.6	87%	0.87	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.8	179.5	-26.8	35.4	0	0	0	115.4
22	S	68	Low	74.4	Confident	115 Å²	115	79.3 Å²	79.3	80%	0.804	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.2	178.3	53.3	0	0	0	0	114.8	A20	A20-S22 PolarHBondContact O-N 3.26Å
23	Q	72.6	Confident	74.4	Confident	84 Å²	84	80.2 Å²	80.2	39%	0.393	44%	0.436	S	S	.	.	S	Bend	trans	-91.9	153.2	178.9	-69.9	174.5	-38.5	0	0	111.4	A20 W25 H34	A20-Q23 HydrophobicContact CB-CG 4.15Å; A20-Q23 PolarHBondContact O-N 3.06Å; Q23-W25 PolarHBondContact O-N 2.99Å; Q23-H34 PolarHBondContact NE2-NE2 3.33Å; Q23-H34 PolarHBondContact OE1-CD2 3.4Å; Q23-H34 PolarHBondContact OE1-NE2 3.33Å
24	I	70.6	Confident	74.8	Confident	132 Å²	132	78.3 Å²	78.3	68%	0.677	42%	0.422	S	S	*	.			trans	-74.1	124.5	169.9	-58.9	175	0	0	0	108.4	G35	I24-G35 PolarHBondContact O-N 2.9Å
25	W	76.4	Confident	74.8	Confident	120 Å²	120	77.2 Å²	77.2	46%	0.455	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.4	177.6	53.1	-96.6	0	0	0	112.2	I19 Q23 R27 W33	I19-W25 HydrophobicContact CD1-CB 4.48Å; I19-W25 HydrophobicContact CG2-CB 3.84Å; I19-W25 HydrophobicContact CG2-CG 3.97Å; Q23-W25 PolarHBondContact O-N 2.99Å; W25-R27 HydrophobicContact CE3-CB 4.22Å; W25-R27 HydrophobicContact CZ3-CB 3.9Å; W25-W33 CarbonylContact C-O 3.58Å; W25-W33 WeakPolarHBondContact CA-O 3.22Å; W25-W33 WeakPolarHBondContact CB-O 3.43Å
26	Y	74.6	Confident	74.8	Confident	78 Å²	78	78.1 Å²	78.1	31%	0.306	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.9	169.6	-63.6	-77.4	0	0	0	109.2	T32 W33 F38	Y26-T32 CarbonylContact O-C 3.55Å; Y26-T32 WeakPolarHBondContact O-CA 3.46Å; Y26-W33 PolarHBondContact N-O 3.32Å; Y26-W33 PolarHBondContact O-N 3.18Å; Y26-F38 HydrophobicContact CD1-CD1 4.3Å; Y26-F38 HydrophobicContact CD1-CE1 4.4Å; Y26-F38 HydrophobicContact CD2-CB 3.64Å; Y26-F38 AromaticContact CD2-CD1 3.47Å; Y26-F38 HydrophobicContact CD2-CD1 3.47Å; Y26-F38 VanDerWaalsContact CD2-CD1 3.47Å; Y26-F38 HydrophobicContact CD2-CE1 4.32Å; Y26-F38 AromaticContact CD2-CG 3.72Å; Y26-F38 HydrophobicContact CD2-CG 3.72Å; Y26-F38 HydrophobicContact CE2-CB 4.36Å; Y26-F38 HydrophobicContact CE2-CD1 4.11Å; Y26-F38 HydrophobicContact CG-CB 4.38Å; Y26-F38 AromaticContact CG-CD1 3.59Å; Y26-F38 HydrophobicContact CG-CD1 3.59Å; Y26-F38 AromaticContact CG-CE1 3.99Å; Y26-F38 HydrophobicContact CG-CE1 3.99Å; Y26-F38 AromaticContact CG-CG 4Å; Y26-F38 HydrophobicContact CG-CG 4Å
27	R	73.5	Confident	74.8	Confident	152 Å²	152	77.8 Å²	77.8	57%	0.574	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.1	179.3	-179.2	165.3	-177.2	168.9	4	109.5	W25 E31 T32	W25-R27 HydrophobicContact CE3-CB 4.22Å; W25-R27 HydrophobicContact CZ3-CB 3.9Å; R27-E31 CarbonylContact C-O 3.56Å; R27-E31 WeakPolarHBondContact CA-O 3.36Å; R27-T32 HydrophobicContact CB-CG2 4.01Å; R27-T32 HydrophobicContact CG-CG2 3.88Å
28	T	69.9	Low	75	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.043	39%	0.385	C	S	.	.			trans	-85	-175.2	168.4	75.8	0	0	0	0	109.5	N30 E31 F38 Y51 E53 L58	T28-N30 PolarHBondContact O-N 3.36Å; T28-N30 PolarHBondContact OG1-N 3.06Å; T28-E31 PolarHBondContact N-O 3.45Å; T28-E31 PolarHBondContact OG1-N 3.16Å; T28-F38 HydrophobicContact CG2-CE2 3.92Å; T28-Y51 VanDerWaalsContact CA-OH 3.28Å; T28-Y51 WeakPolarHBondContact CA-OH 3.44Å; T28-Y51 VanDerWaalsContact CB-OH 3.3Å; T28-Y51 WeakPolarHBondContact CB-OH 3.39Å; T28-Y51 HydrophobicContact CG2-CE2 3.95Å; T28-E53 PolarHBondContact OG1-OE2 2.75Å; T28-L58 HydrophobicContact CG2-CD2 4.28Å
29	V	63.1	Low	75.1	Confident	124 Å²	124	70.1 Å²	70.1	75%	0.752	37%	0.373	S	S	*	.	S	Bend	trans	-59.8	-37.2	177.9	-177.2	0	0	0	0	111.1
30	N	60.7	Low	75.5	Confident	128 Å²	128	69.5 Å²	69.5	68%	0.684	37%	0.37	S	S	*	.	S	Bend	trans	-113.5	-24.4	-173.4	-60.1	-38.3	0	0	0	113.9	T28	T28-N30 PolarHBondContact O-N 3.36Å; T28-N30 PolarHBondContact OG1-N 3.06Å
31	E	79.3	Confident	75.9	Confident	68 Å²	68	69.8 Å²	69.8	32%	0.318	37%	0.369	S	S	.	.			trans	-131.9	172.6	-164.6	-55.9	-175	130.7	0	0	113.3	P13 R27 T28 W33	P13-E31 HydrophobicContact CG-CB 3.92Å; P13-E31 HydrophobicContact CG-CG 4.13Å; P13-E31 WeakPolarHBondContact CG-OE1 3.43Å; P13-E31 VanDerWaalsContact CG-OE2 3.3Å; P13-E31 WeakPolarHBondContact CG-OE2 3.34Å; R27-E31 CarbonylContact C-O 3.56Å; R27-E31 WeakPolarHBondContact CA-O 3.36Å; T28-E31 PolarHBondContact N-O 3.45Å; T28-E31 PolarHBondContact OG1-N 3.16Å; E31-W33 PolarHBondContact OE2-NE1 3.3Å
32	T	79.8	Confident	76.9	Confident	10 Å²	10	66.9 Å²	66.9	6%	0.061	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138	176.7	40.4	0	0	0	0	109.7	W10 C12 P13 I19 Y26 R27	W10-T32 HydrophobicContact CD2-CG2 4.48Å; W10-T32 HydrophobicContact CE3-CG2 4.27Å; C12-T32 WeakPolarHBondContact CA-O 3.27Å; P13-T32 WeakPolarHBondContact CD-O 3.42Å; I19-T32 WeakPolarHBondContact CD1-O 3.5Å; Y26-T32 CarbonylContact O-C 3.55Å; Y26-T32 WeakPolarHBondContact O-CA 3.46Å; R27-T32 HydrophobicContact CB-CG2 4.01Å; R27-T32 HydrophobicContact CG-CG2 3.88Å
33	W	82.3	Confident	77.7	Confident	21 Å²	21	63.7 Å²	63.7	8%	0.08	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.2	-168.7	-68.7	69.8	0	0	0	110.4	P13 W25 Y26 E31 C37 F38 L58	P13-W33 HydrophobicContact CB-CH2 3.98Å; P13-W33 HydrophobicContact CB-CZ2 3.66Å; P13-W33 HydrophobicContact CG-CD2 4.35Å; P13-W33 HydrophobicContact CG-CZ2 3.87Å; W25-W33 CarbonylContact C-O 3.58Å; W25-W33 WeakPolarHBondContact CA-O 3.22Å; W25-W33 WeakPolarHBondContact CB-O 3.43Å; Y26-W33 PolarHBondContact N-O 3.32Å; Y26-W33 PolarHBondContact O-N 3.18Å; E31-W33 PolarHBondContact OE2-NE1 3.3Å; W33-C37 HydrophobicContact CE3-CB 4.44Å; W33-F38 HydrophobicContact CB-CB 4.2Å; W33-F38 HydrophobicContact CB-CD2 3.82Å; W33-F38 HydrophobicContact CB-CG 4.42Å; W33-F38 HydrophobicContact CD2-CD2 4.31Å; W33-F38 AromaticContact CG-CD2 3.93Å; W33-F38 HydrophobicContact CG-CD2 3.93Å; W33-L58 HydrophobicContact CD2-CD1 3.88Å; W33-L58 HydrophobicContact CE3-CD1 3.88Å; W33-L58 HydrophobicContact CH2-CD1 3.87Å; W33-L58 HydrophobicContact CH2-CG 4.08Å; W33-L58 HydrophobicContact CZ2-CD1 3.85Å; W33-L58 HydrophobicContact CZ2-CD2 4.43Å; W33-L58 HydrophobicContact CZ2-CG 4Å; W33-L58 HydrophobicContact CZ3-CD1 3.87Å
34	H	83.7	Confident	78.2	Confident	18 Å²	18	64.6 Å²	64.6	8%	0.083	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	142.9	168.4	-69.9	111.2	0	0	0	110.5	C12 D17 R18 I19 Q23 S36 C37 F38	C12-H34 WeakPolarHBondContact CB-ND1 3.41Å; C12-H34 PolarHBondContact SG-N 3.11Å; C12-H34 VanDerWaalsContact SG-N 3.38Å; D17-H34 WeakPolarHBondContact CB-CE1 3.24Å; D17-H34 PolarHBondContact O-CE1 3.18Å; D17-H34 VanDerWaalsContact O-CE1 3.26Å; R18-H34 PolarHBondContact O-CE1 3.46Å; R18-H34 PolarHBondContact O-NE2 3.26Å; I19-H34 WeakPolarHBondContact CA-NE2 3.29Å; Q23-H34 PolarHBondContact NE2-NE2 3.33Å; Q23-H34 PolarHBondContact OE1-CD2 3.4Å; Q23-H34 PolarHBondContact OE1-NE2 3.33Å; H34-S36 PolarHBondContact O-N 3.11Å; H34-S36 VanDerWaalsContact O-N 3.07Å; H34-C37 HydrophobicContact CB-CB 4.3Å; H34-C37 PolarHBondContact O-N 3.13Å; H34-F38 PolarHBondContact O-N 2.86Å
35	G	76	Confident	78.8	Confident	22 Å²	22	63.3 Å²	63.3	23%	0.227	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.9	179.1	0	0	0	0	0	114.8	I24	I24-G35 PolarHBondContact O-N 2.9Å
36	S	78.6	Confident	79	Confident	77 Å²	77	60.9 Å²	60.9	54%	0.538	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-30.6	171.4	50.6	0	0	0	0	113.9	H34 R39	H34-S36 PolarHBondContact O-N 3.11Å; H34-S36 VanDerWaalsContact O-N 3.07Å; S36-R39 PolarHBondContact O-NE 3.25Å
37	C	79.3	Confident	79	Confident	32 Å²	32	57.6 Å²	57.6	22%	0.216	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-14.7	-172.6	-60.8	0	0	0	0	113.1	W33 H34 R39	W33-C37 HydrophobicContact CE3-CB 4.44Å; H34-C37 HydrophobicContact CB-CB 4.3Å; H34-C37 PolarHBondContact O-N 3.13Å; C37-R39 VanDerWaalsContact C-N 3.32Å; C37-R39 PolarHBondContact O-N 3.42Å
38	F	84.8	Confident	78.8	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.013	31%	0.309	C	S	.	.			trans	-75.8	80.6	178.5	-164.5	-116.3	0	0	0	110.8	Y26 T28 W33 H34 L47 Y51 L58	Y26-F38 HydrophobicContact CD1-CD1 4.3Å; Y26-F38 HydrophobicContact CD1-CE1 4.4Å; Y26-F38 HydrophobicContact CD2-CB 3.64Å; Y26-F38 AromaticContact CD2-CD1 3.47Å; Y26-F38 HydrophobicContact CD2-CD1 3.47Å; Y26-F38 VanDerWaalsContact CD2-CD1 3.47Å; Y26-F38 HydrophobicContact CD2-CE1 4.32Å; Y26-F38 AromaticContact CD2-CG 3.72Å; Y26-F38 HydrophobicContact CD2-CG 3.72Å; Y26-F38 HydrophobicContact CE2-CB 4.36Å; Y26-F38 HydrophobicContact CE2-CD1 4.11Å; Y26-F38 HydrophobicContact CG-CB 4.38Å; Y26-F38 AromaticContact CG-CD1 3.59Å; Y26-F38 HydrophobicContact CG-CD1 3.59Å; Y26-F38 AromaticContact CG-CE1 3.99Å; Y26-F38 HydrophobicContact CG-CE1 3.99Å; Y26-F38 AromaticContact CG-CG 4Å; Y26-F38 HydrophobicContact CG-CG 4Å; T28-F38 HydrophobicContact CG2-CE2 3.92Å; W33-F38 HydrophobicContact CB-CB 4.2Å; W33-F38 HydrophobicContact CB-CD2 3.82Å; W33-F38 HydrophobicContact CB-CG 4.42Å; W33-F38 HydrophobicContact CD2-CD2 4.31Å; W33-F38 AromaticContact CG-CD2 3.93Å; W33-F38 HydrophobicContact CG-CD2 3.93Å; H34-F38 PolarHBondContact O-N 2.86Å; F38-L47 HydrophobicContact CD1-CB 3.71Å; F38-L47 WeakPolarHBondContact CD1-O 3.41Å; F38-L47 HydrophobicContact CE1-CB 3.64Å; F38-L47 HydrophobicContact CG-CB 4.39Å; F38-L47 HydrophobicContact CZ-CB 4.27Å; F38-L47 PolarHBondContact O-N 3.4Å; F38-Y51 HydrophobicContact CE1-CD1 4.35Å; F38-Y51 AromaticContact CZ-CD1 3.64Å; F38-Y51 HydrophobicContact CZ-CD1 3.64Å; F38-Y51 HydrophobicContact CZ-CD2 4.5Å; F38-Y51 AromaticContact CZ-CE1 3.74Å; F38-Y51 HydrophobicContact CZ-CE1 3.74Å; F38-Y51 HydrophobicContact CZ-CG 4.07Å; F38-L58 HydrophobicContact CD2-CD1 3.49Å; F38-L58 VanDerWaalsContact CD2-CD1 3.49Å; F38-L58 HydrophobicContact CE2-CD1 3.6Å; F38-L58 HydrophobicContact CE2-CD2 4.46Å; F38-L58 HydrophobicContact CG-CD1 4.49Å
39	R	84.2	Confident	78.3	Confident	98 Å²	98	61.5 Å²	61.5	37%	0.37	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-134	157.4	-170.8	-71	177.4	179.4	-86	-5.4	112.3	S36 C37 Q44 D45 L47	S36-R39 PolarHBondContact O-NE 3.25Å; C37-R39 VanDerWaalsContact C-N 3.32Å; C37-R39 PolarHBondContact O-N 3.42Å; R39-Q44 WeakPolarHBondContact CD-O 3.43Å; R39-Q44 PolarHBondContact NH1-O 2.8Å; R39-D45 CarbonylContact C-O 3.46Å; R39-D45 VanDerWaalsContact CA-O 3.24Å; R39-D45 WeakPolarHBondContact CA-O 3.24Å; R39-L47 VanDerWaalsContact C-CD1 3.42Å; R39-L47 WeakPolarHBondContact O-CD1 3.43Å
40	C	85	Confident	78.3	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.341	C	S	.	.			trans	-68.5	129.3	171.1	-178.5	0	0	0	0	110.4	E42 C43 Q44 D45 L47 C60 D63	C40-E42 PolarHBondContact O-N 3.37Å; C40-E42 VanDerWaalsContact O-N 3.14Å; C40-E42 PolarHBondContact SG-N 2.99Å; C40-C43 WeakPolarHBondContact CB-SG 3.16Å; C40-C43 VanDerWaalsContact SG-SG 3.61Å; C40-Q44 WeakPolarHBondContact O-CA 3.39Å; C40-Q44 PolarHBondContact O-N 3.18Å; C40-Q44 PolarHBondContact O-NE2 3.04Å; C40-D45 PolarHBondContact N-O 3.44Å; C40-L47 HydrophobicContact CB-CD2 4.2Å; C40-L47 HydrophobicContact CB-CG 4.49Å; C40-C60 HydrophobicContact CB-CB 4.07Å; C40-C60 PolarHBondContact SG-N 3.18Å; C40-D63 PolarHBondContact SG-OD2 2.94Å; C40-D63 VanDerWaalsContact SG-OD2 3.35Å
41	S	86.1	Confident	79.2	Confident	42 Å²	42	60.5 Å²	60.5	29%	0.294	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.3	178.9	-53.4	0	0	0	0	113.5	Q44 L58	S41-Q44 PolarHBondContact O-NE2 3.42Å; S41-L58 WeakPolarHBondContact CB-O 3.21Å; S41-L58 PolarHBondContact N-O 3.26Å; S41-L58 PolarHBondContact OG-N 3.46Å; S41-L58 PolarHBondContact OG-O 2.85Å
42	E	85.6	Confident	79	Confident	74 Å²	74	60.3 Å²	60.3	35%	0.346	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-72	179.9	-56.8	-64.6	154.9	0	0	111.2	C40 Q44 Y59 D63 K67	C40-E42 PolarHBondContact O-N 3.37Å; C40-E42 VanDerWaalsContact O-N 3.14Å; C40-E42 PolarHBondContact SG-N 2.99Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-Q44 PolarHBondContact O-N 2.97Å; E42-Y59 HydrophobicContact CG-CD1 3.76Å; E42-Y59 HydrophobicContact CG-CE1 3.75Å; E42-Y59 WeakPolarHBondContact OE1-CE1 3.47Å; E42-D63 HydrophobicContact CB-CB 3.92Å; E42-D63 HydrophobicContact CG-CB 4.11Å; E42-K67 VanDerWaalsContact CD-CE 3.44Å; E42-K67 WeakPolarHBondContact OE1-CE 3.41Å; E42-K67 IonicContact OE1-NZ 3.51Å; E42-K67 PolarHBondContact OE1-NZ 3.47Å; E42-K67 WeakPolarHBondContact OE2-CE 3.46Å; E42-K67 IonicContact OE2-NZ 3.6Å; E42-K67 PolarHBondContact OE2-NZ 3.03Å
43	C	85.1	Confident	79	Confident	48 Å²	48	63.3 Å²	63.3	32%	0.324	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.1	-177.2	67.9	0	0	0	0	115.6	C40 D45 D63	C40-C43 WeakPolarHBondContact CB-SG 3.16Å; C40-C43 VanDerWaalsContact SG-SG 3.61Å; C43-D45 PolarHBondContact O-N 2.84Å; C43-D45 PolarHBondContact SG-OD2 3.35Å; C43-D63 WeakPolarHBondContact CB-OD2 3.41Å; C43-D63 PolarHBondContact SG-OD2 2.9Å
44	Q	84.6	Confident	78.7	Confident	103 Å²	103	65.5 Å²	65.5	48%	0.481	34%	0.338	S	S	.	.			trans	60.9	5.9	-176.2	-58.8	-63.1	-38.5	0	0	116	R39 C40 S41 E42	R39-Q44 WeakPolarHBondContact CD-O 3.43Å; R39-Q44 PolarHBondContact NH1-O 2.8Å; C40-Q44 WeakPolarHBondContact O-CA 3.39Å; C40-Q44 PolarHBondContact O-N 3.18Å; C40-Q44 PolarHBondContact O-NE2 3.04Å; S41-Q44 PolarHBondContact O-NE2 3.42Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-Q44 PolarHBondContact O-N 2.97Å
45	D	81.8	Confident	78.4	Confident	104 Å²	104	71 Å²	71	56%	0.556	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-59.4	143.9	169.9	-69.2	-45.5	0	0	0	111.2	R39 C40 C43 L47	R39-D45 CarbonylContact C-O 3.46Å; R39-D45 VanDerWaalsContact CA-O 3.24Å; R39-D45 WeakPolarHBondContact CA-O 3.24Å; C40-D45 PolarHBondContact N-O 3.44Å; C43-D45 PolarHBondContact O-N 2.84Å; C43-D45 PolarHBondContact SG-OD2 3.35Å; D45-L47 PolarHBondContact O-N 3.38Å
46	S	80.3	Confident	78.2	Confident	69 Å²	69	72.6 Å²	72.6	48%	0.483	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-62.6	123.5	171.6	-71.3	0	0	0	0	110.6
47	L	75.8	Confident	78.3	Confident	10 Å²	10	74.2 Å²	74.2	5%	0.052	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-78.7	156.8	175.7	-66.9	170.7	0	0	0	110.2	F38 R39 C40 D45 L58 C60	F38-L47 HydrophobicContact CD1-CB 3.71Å; F38-L47 WeakPolarHBondContact CD1-O 3.41Å; F38-L47 HydrophobicContact CE1-CB 3.64Å; F38-L47 HydrophobicContact CG-CB 4.39Å; F38-L47 HydrophobicContact CZ-CB 4.27Å; F38-L47 PolarHBondContact O-N 3.4Å; R39-L47 VanDerWaalsContact C-CD1 3.42Å; R39-L47 WeakPolarHBondContact O-CD1 3.43Å; C40-L47 HydrophobicContact CB-CD2 4.2Å; C40-L47 HydrophobicContact CB-CG 4.49Å; D45-L47 PolarHBondContact O-N 3.38Å; L47-L58 HydrophobicContact CD1-CB 3.54Å; L47-L58 HydrophobicContact CD1-CD1 4.18Å; L47-L58 HydrophobicContact CD1-CG 4.45Å; L47-C60 HydrophobicContact CD2-CB 3.93Å
48	T	69.6	Low	78.4	Confident	91 Å²	91	72.8 Å²	72.8	56%	0.558	37%	0.373	S	S	*	.			trans	-125.7	-159.5	174.3	60.1	0	0	0	0	108.5	W50	T48-W50 PolarHBondContact O-N 3.48Å
49	N	58.5	Low	78.3	Confident	150 Å²	150	73.1 Å²	73.1	80%	0.802	37%	0.374	S	S	*	.	S	Bend	trans	-63.4	8.6	-175.7	-60.4	-0.3	0	0	0	115.2
50	W	62.5	Low	78.1	Confident	177 Å²	177	69.3 Å²	69.3	67%	0.67	36%	0.363	S	S	*	.			trans	-136.2	112.8	175.5	-157.9	-60.9	0	0	0	111	T48	T48-W50 PolarHBondContact O-N 3.48Å
51	Y	79.7	Confident	77.6	Confident	53 Å²	53	71.6 Å²	71.6	21%	0.208	38%	0.377	C	S	.	.			trans	-154	169.7	-177.7	61.8	-79.1	0	0	0	109	T28 F38 E53 L58	T28-Y51 VanDerWaalsContact CA-OH 3.28Å; T28-Y51 WeakPolarHBondContact CA-OH 3.44Å; T28-Y51 VanDerWaalsContact CB-OH 3.3Å; T28-Y51 WeakPolarHBondContact CB-OH 3.39Å; T28-Y51 HydrophobicContact CG2-CE2 3.95Å; F38-Y51 HydrophobicContact CE1-CD1 4.35Å; F38-Y51 AromaticContact CZ-CD1 3.64Å; F38-Y51 HydrophobicContact CZ-CD1 3.64Å; F38-Y51 HydrophobicContact CZ-CD2 4.5Å; F38-Y51 AromaticContact CZ-CE1 3.74Å; F38-Y51 HydrophobicContact CZ-CE1 3.74Å; F38-Y51 HydrophobicContact CZ-CG 4.07Å; Y51-E53 HydrophobicContact CE2-CB 4.4Å; Y51-L58 HydrophobicContact CD2-CD2 3.79Å; Y51-L58 HydrophobicContact CE2-CD2 3.93Å
52	Y	75.6	Confident	77.2	Confident	64 Å²	64	77.6 Å²	77.6	25%	0.251	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139	168.7	-68.1	-90.8	0	0	0	109.6	L58 Y59 P61 Y64 W65	Y52-L58 CarbonylContact O-C 3.56Å; Y52-L58 WeakPolarHBondContact O-CA 3.45Å; Y52-Y59 PolarHBondContact N-O 2.88Å; Y52-Y59 PolarHBondContact O-N 3.49Å; Y52-P61 HydrophobicContact CD2-CB 4.44Å; Y52-P61 HydrophobicContact CD2-CG 4.41Å; Y52-P61 HydrophobicContact CE2-CB 3.92Å; Y52-P61 HydrophobicContact CE2-CG 4.08Å; Y52-Y64 VanDerWaalsContact CB-CD2 3.46Å; Y52-Y64 AromaticContact CD1-CD1 3.83Å; Y52-Y64 HydrophobicContact CD1-CD1 3.83Å; Y52-Y64 AromaticContact CD1-CE1 3.86Å; Y52-Y64 HydrophobicContact CD1-CE1 3.86Å; Y52-Y64 HydrophobicContact CD1-CG 4.26Å; Y52-Y64 AromaticContact CD2-CD1 3.94Å; Y52-Y64 HydrophobicContact CD2-CD1 3.94Å; Y52-Y64 AromaticContact CD2-CG 3.93Å; Y52-Y64 HydrophobicContact CD2-CG 3.93Å; Y52-Y64 HydrophobicContact CE1-CD1 4.3Å; Y52-Y64 HydrophobicContact CE1-CE1 4.34Å; Y52-Y64 HydrophobicContact CE2-CD1 4.4Å; Y52-Y64 AromaticContact CG-CD1 3.64Å; Y52-Y64 HydrophobicContact CG-CD1 3.64Å; Y52-Y64 HydrophobicContact CG-CD2 4.08Å; Y52-Y64 HydrophobicContact CG-CE1 4.1Å; Y52-Y64 HydrophobicContact CG-CE2 4.49Å; Y52-Y64 AromaticContact CG-CG 3.64Å; Y52-Y64 HydrophobicContact CG-CG 3.64Å; Y52-W65 HydrophobicContact CE1-CZ2 4.25Å; Y52-W65 AromaticContact CE2-NE1 3.71Å; Y52-W65 AromaticContact CZ-NE1 3.51Å; Y52-W65 PolarHBondContact OH-NE1 2.78Å
53	E	79.3	Confident	76.9	Confident	74 Å²	74	75.4 Å²	75.4	35%	0.346	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.5	174.9	-169.4	-176	121.3	0	0	108.5	T28 Y51 K57 L58	T28-E53 PolarHBondContact OG1-OE2 2.75Å; Y51-E53 HydrophobicContact CE2-CB 4.4Å; E53-K57 WeakPolarHBondContact CA-O 3.24Å; E53-L58 HydrophobicContact CB-CD2 4.3Å; E53-L58 HydrophobicContact CG-CD2 4.16Å
54	K	75.8	Confident	76.6	Confident	66 Å²	66	75.2 Å²	75.2	29%	0.287	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	134.7	176.1	-178	173.9	176.9	-177.6	0	109.8	G56 K57 Y59 Y64 F68	K54-G56 PolarHBondContact O-N 3.35Å; K54-K57 PolarHBondContact N-O 2.63Å; K54-K57 WeakPolarHBondContact O-CB 3.35Å; K54-K57 PolarHBondContact O-N 3.43Å; K54-Y59 HydrophobicContact CB-CD2 4.47Å; K54-Y59 HydrophobicContact CB-CE2 4.16Å; K54-Y64 HydrophobicContact CB-CE2 3.96Å; K54-Y64 HydrophobicContact CD-CE2 3.88Å; K54-F68 HydrophobicContact CD-CD1 4.38Å; K54-F68 HydrophobicContact CD-CD2 4.04Å; K54-F68 HydrophobicContact CD-CE1 4.42Å; K54-F68 HydrophobicContact CD-CE2 4.09Å; K54-F68 HydrophobicContact CD-CG 4.17Å; K54-F68 HydrophobicContact CD-CZ 4.27Å
55	D	78.1	Confident	76	Confident	133 Å²	133	73.2 Å²	73.2	71%	0.711	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	39.4	179.4	-48.7	-37.2	0	0	0	113.4	K57	D55-K57 VanDerWaalsContact C-N 3.25Å; D55-K57 PolarHBondContact O-N 2.66Å
56	G	72	Confident	75.6	Confident	57 Å²	57	71.4 Å²	71.4	59%	0.588	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	12.7	-177.3	0	0	0	0	0	115	K54	K54-G56 PolarHBondContact O-N 3.35Å
57	K	80.1	Confident	75.2	Confident	111 Å²	111	73.8 Å²	73.8	48%	0.483	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.3	-177.9	-71.3	177.6	-177.3	177	0	111.7	E53 K54 D55 Y59	E53-K57 WeakPolarHBondContact CA-O 3.24Å; K54-K57 PolarHBondContact N-O 2.63Å; K54-K57 WeakPolarHBondContact O-CB 3.35Å; K54-K57 PolarHBondContact O-N 3.43Å; D55-K57 VanDerWaalsContact C-N 3.25Å; D55-K57 PolarHBondContact O-N 2.66Å; K57-Y59 HydrophobicContact CB-CD2 4.42Å; K57-Y59 HydrophobicContact CB-CE2 3.57Å; K57-Y59 WeakPolarHBondContact O-CD2 3.25Å; K57-Y59 WeakPolarHBondContact O-CE2 3.27Å
58	L	82.9	Confident	75.3	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.1	176.1	-54.7	175.5	0	0	0	110.3	T28 W33 F38 S41 L47 Y51 Y52 E53	T28-L58 HydrophobicContact CG2-CD2 4.28Å; W33-L58 HydrophobicContact CD2-CD1 3.88Å; W33-L58 HydrophobicContact CE3-CD1 3.88Å; W33-L58 HydrophobicContact CH2-CD1 3.87Å; W33-L58 HydrophobicContact CH2-CG 4.08Å; W33-L58 HydrophobicContact CZ2-CD1 3.85Å; W33-L58 HydrophobicContact CZ2-CD2 4.43Å; W33-L58 HydrophobicContact CZ2-CG 4Å; W33-L58 HydrophobicContact CZ3-CD1 3.87Å; F38-L58 HydrophobicContact CD2-CD1 3.49Å; F38-L58 VanDerWaalsContact CD2-CD1 3.49Å; F38-L58 HydrophobicContact CE2-CD1 3.6Å; F38-L58 HydrophobicContact CE2-CD2 4.46Å; F38-L58 HydrophobicContact CG-CD1 4.49Å; S41-L58 WeakPolarHBondContact CB-O 3.21Å; S41-L58 PolarHBondContact N-O 3.26Å; S41-L58 PolarHBondContact OG-N 3.46Å; S41-L58 PolarHBondContact OG-O 2.85Å; L47-L58 HydrophobicContact CD1-CB 3.54Å; L47-L58 HydrophobicContact CD1-CD1 4.18Å; L47-L58 HydrophobicContact CD1-CG 4.45Å; Y51-L58 HydrophobicContact CD2-CD2 3.79Å; Y51-L58 HydrophobicContact CE2-CD2 3.93Å; Y52-L58 CarbonylContact O-C 3.56Å; Y52-L58 WeakPolarHBondContact O-CA 3.45Å; E53-L58 HydrophobicContact CB-CD2 4.3Å; E53-L58 HydrophobicContact CG-CD2 4.16Å
59	Y	81.2	Confident	75.2	Confident	10 Å²	10	72.8 Å²	72.8	4%	0.039	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.5	-179.1	-63	-89.5	0	0	0	110.8	E42 Y52 K54 K57 Y64 F68	E42-Y59 HydrophobicContact CG-CD1 3.76Å; E42-Y59 HydrophobicContact CG-CE1 3.75Å; E42-Y59 WeakPolarHBondContact OE1-CE1 3.47Å; Y52-Y59 PolarHBondContact N-O 2.88Å; Y52-Y59 PolarHBondContact O-N 3.49Å; K54-Y59 HydrophobicContact CB-CD2 4.47Å; K54-Y59 HydrophobicContact CB-CE2 4.16Å; K57-Y59 HydrophobicContact CB-CD2 4.42Å; K57-Y59 HydrophobicContact CB-CE2 3.57Å; K57-Y59 WeakPolarHBondContact O-CD2 3.25Å; K57-Y59 WeakPolarHBondContact O-CE2 3.27Å; Y59-Y64 HydrophobicContact CD2-CD2 4.1Å; Y59-Y64 HydrophobicContact CG-CD2 4.16Å; Y59-F68 HydrophobicContact CD1-CE2 4.35Å; Y59-F68 HydrophobicContact CD2-CE2 4.44Å; Y59-F68 AromaticContact CE1-CE2 3.9Å; Y59-F68 HydrophobicContact CE1-CE2 3.9Å; Y59-F68 HydrophobicContact CE1-CZ 4.42Å; Y59-F68 AromaticContact CE2-CE2 4Å; Y59-F68 HydrophobicContact CE2-CE2 4Å; Y59-F68 AromaticContact CZ-CE2 3.72Å
60	C	81.4	Confident	75.8	Confident	19 Å²	19	70 Å²	70	13%	0.128	35%	0.35	C	S	.	.			trans	-71.1	156.3	165.9	89.1	0	0	0	0	109.6	C40 L47 K62 D63 Y64	C40-C60 HydrophobicContact CB-CB 4.07Å; C40-C60 PolarHBondContact SG-N 3.18Å; L47-C60 HydrophobicContact CD2-CB 3.93Å; C60-K62 VanDerWaalsContact C-N 3.29Å; C60-K62 PolarHBondContact O-N 3.5Å; C60-D63 PolarHBondContact O-N 3.45Å; C60-D63 PolarHBondContact SG-N 2.88Å; C60-D63 VanDerWaalsContact SG-N 3.42Å; C60-D63 PolarHBondContact SG-OD2 3.07Å; C60-Y64 WeakPolarHBondContact O-CB 3.41Å; C60-Y64 PolarHBondContact O-N 3.23Å
61	P	73.4	Confident	76.4	Confident	48 Å²	48	68 Å²	68	31%	0.312	35%	0.347	S	S	.	.	H	α-helix	trans	-53.8	-42.7	-179.6	-30.5	38	0	0	0	114	Y52 W65	Y52-P61 HydrophobicContact CD2-CB 4.44Å; Y52-P61 HydrophobicContact CD2-CG 4.41Å; Y52-P61 HydrophobicContact CE2-CB 3.92Å; Y52-P61 HydrophobicContact CE2-CG 4.08Å; P61-W65 VanDerWaalsContact O-CB 3.3Å; P61-W65 WeakPolarHBondContact O-CB 3.38Å; P61-W65 PolarHBondContact O-N 2.93Å; P61-W65 VanDerWaalsContact O-N 3.12Å
62	K	77.9	Confident	76.2	Confident	168 Å²	168	65.6 Å²	65.6	73%	0.73	34%	0.338	S	S	*	.	H	α-helix	trans	-60.5	-49.5	-178.8	179.1	-165.6	169.6	-155.1	0	111.8	C60 G66	C60-K62 VanDerWaalsContact C-N 3.29Å; C60-K62 PolarHBondContact O-N 3.5Å; K62-G66 PolarHBondContact O-N 2.77Å
63	D	78.6	Confident	76.2	Confident	28 Å²	28	66.6 Å²	66.6	15%	0.15	34%	0.344	C	S	.	.	H	α-helix	trans	-80.9	-32.8	-172.7	-52.5	-28	0	0	0	111.8	C40 E42 C43 C60 G66 K67	C40-D63 PolarHBondContact SG-OD2 2.94Å; C40-D63 VanDerWaalsContact SG-OD2 3.35Å; E42-D63 HydrophobicContact CB-CB 3.92Å; E42-D63 HydrophobicContact CG-CB 4.11Å; C43-D63 WeakPolarHBondContact CB-OD2 3.41Å; C43-D63 PolarHBondContact SG-OD2 2.9Å; C60-D63 PolarHBondContact O-N 3.45Å; C60-D63 PolarHBondContact SG-N 2.88Å; C60-D63 VanDerWaalsContact SG-N 3.42Å; C60-D63 PolarHBondContact SG-OD2 3.07Å; D63-G66 PolarHBondContact O-N 2.81Å; D63-K67 PolarHBondContact O-N 3.17Å
64	Y	79.6	Confident	75.8	Confident	43 Å²	43	65.3 Å²	65.3	17%	0.169	35%	0.351	C	S	.	.	H	α-helix	trans	-56.9	-53.7	170.6	-177.5	-98.2	0	0	0	110.8	Y52 K54 Y59 C60 G66 K67 F68	Y52-Y64 VanDerWaalsContact CB-CD2 3.46Å; Y52-Y64 AromaticContact CD1-CD1 3.83Å; Y52-Y64 HydrophobicContact CD1-CD1 3.83Å; Y52-Y64 AromaticContact CD1-CE1 3.86Å; Y52-Y64 HydrophobicContact CD1-CE1 3.86Å; Y52-Y64 HydrophobicContact CD1-CG 4.26Å; Y52-Y64 AromaticContact CD2-CD1 3.94Å; Y52-Y64 HydrophobicContact CD2-CD1 3.94Å; Y52-Y64 AromaticContact CD2-CG 3.93Å; Y52-Y64 HydrophobicContact CD2-CG 3.93Å; Y52-Y64 HydrophobicContact CE1-CD1 4.3Å; Y52-Y64 HydrophobicContact CE1-CE1 4.34Å; Y52-Y64 HydrophobicContact CE2-CD1 4.4Å; Y52-Y64 AromaticContact CG-CD1 3.64Å; Y52-Y64 HydrophobicContact CG-CD1 3.64Å; Y52-Y64 HydrophobicContact CG-CD2 4.08Å; Y52-Y64 HydrophobicContact CG-CE1 4.1Å; Y52-Y64 HydrophobicContact CG-CE2 4.49Å; Y52-Y64 AromaticContact CG-CG 3.64Å; Y52-Y64 HydrophobicContact CG-CG 3.64Å; K54-Y64 HydrophobicContact CB-CE2 3.96Å; K54-Y64 HydrophobicContact CD-CE2 3.88Å; Y59-Y64 HydrophobicContact CD2-CD2 4.1Å; Y59-Y64 HydrophobicContact CG-CD2 4.16Å; C60-Y64 WeakPolarHBondContact O-CB 3.41Å; C60-Y64 PolarHBondContact O-N 3.23Å; Y64-G66 VanDerWaalsContact C-N 3.35Å; Y64-G66 PolarHBondContact O-N 3.19Å; Y64-K67 PolarHBondContact O-N 2.87Å; Y64-F68 AromaticContact CD2-CD2 3.67Å; Y64-F68 HydrophobicContact CD2-CD2 3.67Å; Y64-F68 HydrophobicContact CD2-CE2 4.24Å; Y64-F68 HydrophobicContact CE2-CB 4.49Å; Y64-F68 AromaticContact CE2-CD2 3.72Å; Y64-F68 HydrophobicContact CE2-CD2 3.72Å; Y64-F68 HydrophobicContact CE2-CE2 4.39Å; Y64-F68 HydrophobicContact CE2-CG 4.47Å; Y64-F68 HydrophobicContact CG-CD2 4.34Å; Y64-F68 WeakPolarHBondContact O-CB 3.44Å; Y64-F68 WeakPolarHBondContact O-CD2 3.34Å; Y64-F68 PolarHBondContact O-N 3.5Å
65	W	72.8	Confident	75.9	Confident	62 Å²	62	64.5 Å²	64.5	24%	0.235	35%	0.353	C	S	.	.	H	α-helix	trans	-66.9	-36.9	179.9	-76.4	126.6	0	0	0	111.6	Y52 P61 K67 G69 L78 M79 T80	Y52-W65 HydrophobicContact CE1-CZ2 4.25Å; Y52-W65 AromaticContact CE2-NE1 3.71Å; Y52-W65 AromaticContact CZ-NE1 3.51Å; Y52-W65 PolarHBondContact OH-NE1 2.78Å; P61-W65 VanDerWaalsContact O-CB 3.3Å; P61-W65 WeakPolarHBondContact O-CB 3.38Å; P61-W65 PolarHBondContact O-N 2.93Å; P61-W65 VanDerWaalsContact O-N 3.12Å; W65-K67 VanDerWaalsContact C-N 3.33Å; W65-K67 PolarHBondContact O-N 3.4Å; W65-G69 PolarHBondContact O-N 2.94Å; W65-L78 HydrophobicContact CB-CD2 3.52Å; W65-L78 HydrophobicContact CD2-CD2 4.43Å; W65-L78 HydrophobicContact CE3-CD2 4.16Å; W65-L78 HydrophobicContact CG-CD2 4.22Å; W65-L78 VanDerWaalsContact O-CD2 3.3Å; W65-L78 WeakPolarHBondContact O-CD2 3.49Å; W65-M79 WeakPolarHBondContact CZ3-O 3.35Å; W65-T80 HydrophobicContact CD2-CG2 3.63Å; W65-T80 HydrophobicContact CE3-CG2 3.85Å; W65-T80 HydrophobicContact CG-CG2 3.99Å; W65-T80 HydrophobicContact CH2-CG2 4.48Å; W65-T80 HydrophobicContact CZ2-CG2 4.28Å; W65-T80 HydrophobicContact CZ3-CG2 4.27Å
66	G	72.6	Confident	75.9	Confident	65 Å²	65	62.6 Å²	62.6	67%	0.67	35%	0.35	S	S	*	.	H	α-helix	trans	-64.5	-27.2	174.3	0	0	0	0	0	115.5	K62 D63 Y64	K62-G66 PolarHBondContact O-N 2.77Å; D63-G66 PolarHBondContact O-N 2.81Å; Y64-G66 VanDerWaalsContact C-N 3.35Å; Y64-G66 PolarHBondContact O-N 3.19Å
67	K	71.9	Confident	76	Confident	120 Å²	120	65.5 Å²	65.5	52%	0.522	35%	0.351	S	S	.	.	H	α-helix	trans	-98.2	-29	176.7	-79.9	-162.4	175.5	-176.9	0	115.2	E42 D63 Y64 W65	E42-K67 VanDerWaalsContact CD-CE 3.44Å; E42-K67 WeakPolarHBondContact OE1-CE 3.41Å; E42-K67 IonicContact OE1-NZ 3.51Å; E42-K67 PolarHBondContact OE1-NZ 3.47Å; E42-K67 WeakPolarHBondContact OE2-CE 3.46Å; E42-K67 IonicContact OE2-NZ 3.6Å; E42-K67 PolarHBondContact OE2-NZ 3.03Å; D63-K67 PolarHBondContact O-N 3.17Å; Y64-K67 PolarHBondContact O-N 2.87Å; W65-K67 VanDerWaalsContact C-N 3.33Å; W65-K67 PolarHBondContact O-N 3.4Å
68	F	76.7	Confident	75.4	Confident	66 Å²	66	62.3 Å²	62.3	29%	0.289	34%	0.339	S	S	.	.	H	α-helix	trans	-131	0	-166	-52.8	-61.2	0	0	0	115.1	K54 Y59 Y64	K54-F68 HydrophobicContact CD-CD1 4.38Å; K54-F68 HydrophobicContact CD-CD2 4.04Å; K54-F68 HydrophobicContact CD-CE1 4.42Å; K54-F68 HydrophobicContact CD-CE2 4.09Å; K54-F68 HydrophobicContact CD-CG 4.17Å; K54-F68 HydrophobicContact CD-CZ 4.27Å; Y59-F68 HydrophobicContact CD1-CE2 4.35Å; Y59-F68 HydrophobicContact CD2-CE2 4.44Å; Y59-F68 AromaticContact CE1-CE2 3.9Å; Y59-F68 HydrophobicContact CE1-CE2 3.9Å; Y59-F68 HydrophobicContact CE1-CZ 4.42Å; Y59-F68 AromaticContact CE2-CE2 4Å; Y59-F68 HydrophobicContact CE2-CE2 4Å; Y59-F68 AromaticContact CZ-CE2 3.72Å; Y64-F68 AromaticContact CD2-CD2 3.67Å; Y64-F68 HydrophobicContact CD2-CD2 3.67Å; Y64-F68 HydrophobicContact CD2-CE2 4.24Å; Y64-F68 HydrophobicContact CE2-CB 4.49Å; Y64-F68 AromaticContact CE2-CD2 3.72Å; Y64-F68 HydrophobicContact CE2-CD2 3.72Å; Y64-F68 HydrophobicContact CE2-CE2 4.39Å; Y64-F68 HydrophobicContact CE2-CG 4.47Å; Y64-F68 HydrophobicContact CG-CD2 4.34Å; Y64-F68 WeakPolarHBondContact O-CB 3.44Å; Y64-F68 WeakPolarHBondContact O-CD2 3.34Å; Y64-F68 PolarHBondContact O-N 3.5Å
69	G	69.3	Low	74.6	Confident	13 Å²	13	62.7 Å²	62.7	13%	0.134	34%	0.341	C	S	.	.			trans	-75.5	144.1	174	0	0	0	0	0	112.4	W65	W65-G69 PolarHBondContact O-N 2.94Å
70	E	70.9	Confident	73.5	Confident	92 Å²	92	66.2 Å²	66.2	43%	0.43	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	160.3	171.4	-58.4	-174.3	114.9	0	0	110.3	L78 M79 K90	E70-L78 CarbonylContact O-C 3.49Å; E70-L78 WeakPolarHBondContact O-CA 3.25Å; E70-M79 WeakPolarHBondContact O-CB 3.19Å; E70-M79 WeakPolarHBondContact O-CG 3.49Å; E70-M79 PolarHBondContact O-N 2.88Å; E70-K90 IonicContact OE1-NZ 3.41Å; E70-K90 PolarHBondContact OE1-NZ 2.98Å; E70-K90 WeakPolarHBondContact OE2-CD 3.29Å; E70-K90 IonicContact OE2-NZ 2.76Å; E70-K90 PolarHBondContact OE2-NZ 2.94Å
71	F	74.1	Confident	72.3	Confident	136 Å²	136	67 Å²	67	60%	0.596	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	138.5	-178.3	-63.5	-92.8	0	0	0	111.3	L78	F71-L78 HydrophobicContact CD1-CD1 3.86Å; F71-L78 HydrophobicContact CD2-CD1 4.22Å; F71-L78 HydrophobicContact CE1-CB 4.45Å; F71-L78 HydrophobicContact CE1-CD1 3.46Å; F71-L78 VanDerWaalsContact CE1-CD1 3.46Å; F71-L78 HydrophobicContact CE2-CD1 3.84Å; F71-L78 HydrophobicContact CG-CD1 4.22Å; F71-L78 HydrophobicContact CZ-CD1 3.45Å; F71-L78 VanDerWaalsContact CZ-CD1 3.45Å
72	C	75.2	Confident	71.1	Confident	2 Å²	2	69 Å²	69	1%	0.014	39%	0.388	C	S	.	.			trans	-74.9	129.1	-179.4	169	0	0	0	0	111.1	G74 C75 S76 L77 M79 K90 H92	C72-G74 VanDerWaalsContact C-N 3.3Å; C72-G74 PolarHBondContact O-N 2.81Å; C72-G74 PolarHBondContact SG-N 2.76Å; C72-G74 VanDerWaalsContact SG-N 3.4Å; C72-C75 PolarHBondContact O-N 2.83Å; C72-S76 VanDerWaalsContact O-CA 3.24Å; C72-S76 WeakPolarHBondContact O-CA 3.35Å; C72-S76 PolarHBondContact O-N 2.86Å; C72-L77 PolarHBondContact N-O 2.75Å; C72-M79 WeakPolarHBondContact CA-SD 3.47Å; C72-M79 HydrophobicContact CB-CG 3.81Å; C72-M79 HydrophobicContact CB-SD 3.8Å; C72-M79 PolarHBondContact N-SD 3.28Å; C72-M79 VanDerWaalsContact N-SD 3.36Å; C72-K90 WeakPolarHBondContact CA-O 3.43Å; C72-H92 WeakPolarHBondContact CB-CE1 3.41Å; C72-H92 WeakPolarHBondContact CB-ND1 3.43Å; C72-H92 PolarHBondContact SG-N 3.38Å; C72-H92 VanDerWaalsContact SG-N 3.38Å; C72-H92 PolarHBondContact SG-ND1 2.85Å
73	H	76.3	Confident	70.4	Confident	85 Å²	85	65.3 Å²	65.3	39%	0.394	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-38.2	178.1	-173.7	76.9	0	0	0	112.5	C75 F89 K90 Y91	H73-C75 PolarHBondContact O-N 3.33Å; H73-F89 HydrophobicContact CB-CB 3.99Å; H73-F89 HydrophobicContact CB-CD1 4.01Å; H73-F89 HydrophobicContact CB-CG 4.27Å; H73-F89 AromaticContact CE1-CD1 3.72Å; H73-F89 AromaticContact CE1-CE1 3.56Å; H73-F89 AromaticContact CG-CD1 3.56Å; H73-F89 AromaticContact CG-CG 3.89Å; H73-F89 AromaticContact ND1-CD1 3.25Å; H73-F89 WeakPolarHBondContact ND1-CD1 3.26Å; H73-F89 AromaticContact ND1-CE1 3.45Å; H73-F89 WeakPolarHBondContact ND1-CE1 3.4Å; H73-F89 AromaticContact ND1-CG 3.99Å; H73-K90 PolarHBondContact N-O 2.85Å; H73-Y91 HydrophobicContact CB-CD1 4.36Å; H73-Y91 HydrophobicContact CB-CE1 3.92Å; H73-Y91 AromaticContact CD2-CE1 3.9Å; H73-Y91 AromaticContact CD2-CZ 3.9Å; H73-Y91 PolarHBondContact CD2-OH 3.15Å
74	G	71.5	Confident	70	Confident	47 Å²	47	65.6 Å²	65.6	49%	0.485	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-14	-175.7	0	0	0	0	0	116.3	C72	C72-G74 VanDerWaalsContact C-N 3.3Å; C72-G74 PolarHBondContact O-N 2.81Å; C72-G74 PolarHBondContact SG-N 2.76Å; C72-G74 VanDerWaalsContact SG-N 3.4Å
75	C	77	Confident	69.6	Low	49 Å²	49	66.8 Å²	66.8	33%	0.331	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.1	-2.6	-178.3	72.1	0	0	0	0	115.7	C72 H73 L77 H92	C72-C75 PolarHBondContact O-N 2.83Å; H73-C75 PolarHBondContact O-N 3.33Å; C75-L77 PolarHBondContact O-N 2.89Å; C75-H92 VanDerWaalsContact SG-CE1 3.52Å; C75-H92 PolarHBondContact SG-ND1 3.31Å; C75-H92 VanDerWaalsContact SG-ND1 3.35Å
76	S	78	Confident	69.6	Low	92 Å²	92	63.9 Å²	63.9	64%	0.643	37%	0.374	S	S	*	.			trans	56.8	12.7	-175.9	-52.4	0	0	0	0	115.7	C72	C72-S76 VanDerWaalsContact O-CA 3.24Å; C72-S76 WeakPolarHBondContact O-CA 3.35Å; C72-S76 PolarHBondContact O-N 2.86Å
77	L	74.1	Confident	69.5	Low	118 Å²	118	63.2 Å²	63.2	62%	0.618	37%	0.367	S	S	*	.			trans	-88.7	155.4	173.8	-59.4	178.7	0	0	0	111.2	C72 C75 H92	C72-L77 PolarHBondContact N-O 2.75Å; C75-L77 PolarHBondContact O-N 2.89Å; L77-H92 PolarHBondContact O-CE1 3.45Å
78	L	67.4	Low	69.3	Low	44 Å²	44	66.4 Å²	66.4	23%	0.23	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	147.2	-179	-154.6	83	0	0	0	112.6	W65 E70 F71 T80 H92	W65-L78 HydrophobicContact CB-CD2 3.52Å; W65-L78 HydrophobicContact CD2-CD2 4.43Å; W65-L78 HydrophobicContact CE3-CD2 4.16Å; W65-L78 HydrophobicContact CG-CD2 4.22Å; W65-L78 VanDerWaalsContact O-CD2 3.3Å; W65-L78 WeakPolarHBondContact O-CD2 3.49Å; E70-L78 CarbonylContact O-C 3.49Å; E70-L78 WeakPolarHBondContact O-CA 3.25Å; F71-L78 HydrophobicContact CD1-CD1 3.86Å; F71-L78 HydrophobicContact CD2-CD1 4.22Å; F71-L78 HydrophobicContact CE1-CB 4.45Å; F71-L78 HydrophobicContact CE1-CD1 3.46Å; F71-L78 VanDerWaalsContact CE1-CD1 3.46Å; F71-L78 HydrophobicContact CE2-CD1 3.84Å; F71-L78 HydrophobicContact CG-CD1 4.22Å; F71-L78 HydrophobicContact CZ-CD1 3.45Å; F71-L78 VanDerWaalsContact CZ-CD1 3.45Å; L78-T80 HydrophobicContact CD2-CG2 4.01Å; L78-H92 PolarHBondContact O-NE2 3.49Å
79	M	67	Low	69.3	Low	10 Å²	10	66.4 Å²	66.4	5%	0.049	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	106	-174.8	-57.9	-179.8	66.6	0	0	110.2	W65 E70 C72 F83 K90 Y91	W65-M79 WeakPolarHBondContact CZ3-O 3.35Å; E70-M79 WeakPolarHBondContact O-CB 3.19Å; E70-M79 WeakPolarHBondContact O-CG 3.49Å; E70-M79 PolarHBondContact O-N 2.88Å; C72-M79 WeakPolarHBondContact CA-SD 3.47Å; C72-M79 HydrophobicContact CB-CG 3.81Å; C72-M79 HydrophobicContact CB-SD 3.8Å; C72-M79 PolarHBondContact N-SD 3.28Å; C72-M79 VanDerWaalsContact N-SD 3.36Å; M79-F83 HydrophobicContact CE-CB 3.19Å; M79-F83 HydrophobicContact CE-CD1 4.46Å; M79-F83 HydrophobicContact CE-CG 3.91Å; M79-K90 HydrophobicContact CE-CB 3.84Å; M79-K90 HydrophobicContact SD-CB 3.87Å; M79-Y91 VanDerWaalsContact CE-C 3.42Å; M79-Y91 WeakPolarHBondContact CE-O 3.35Å
80	T	58	Low	69.7	Low	83 Å²	83	68.7 Å²	68.7	51%	0.509	39%	0.39	S	S	.	.			trans	-117.9	24	-174.5	66.9	0	0	0	0	112.7	W65 L78	W65-T80 HydrophobicContact CD2-CG2 3.63Å; W65-T80 HydrophobicContact CE3-CG2 3.85Å; W65-T80 HydrophobicContact CG-CG2 3.99Å; W65-T80 HydrophobicContact CH2-CG2 4.48Å; W65-T80 HydrophobicContact CZ2-CG2 4.28Å; W65-T80 HydrophobicContact CZ3-CG2 4.27Å; L78-T80 HydrophobicContact CD2-CG2 4.01Å
81	G	56.8	Low	69.9	Low	35 Å²	35	64.6 Å²	64.6	36%	0.361	37%	0.371	S	S	.	.	S	Bend	trans	-156.6	-170	-171.8	0	0	0	0	0	112.3
82	P	46.8	Very low	69.7	Low	92 Å²	92	59.5 Å²	59.5	60%	0.597	35%	0.348	S	S	*	.			trans	-61.1	153.8	173	30.1	-35.9	0	0	0	110.5	P93	P82-P93 WeakPolarHBondContact O-CD 3.45Å
83	F	63.9	Low	69.7	Low	90 Å²	90	61.4 Å²	61.4	40%	0.395	36%	0.361	S	S	.	.			trans	-143	149.6	-174	58.3	-98.8	0	0	0	112.7	M79 V85 K90 Y91	M79-F83 HydrophobicContact CE-CB 3.19Å; M79-F83 HydrophobicContact CE-CD1 4.46Å; M79-F83 HydrophobicContact CE-CG 3.91Å; F83-V85 HydrophobicContact CD2-CG2 3.72Å; F83-V85 HydrophobicContact CE2-CG2 3.68Å; F83-K90 HydrophobicContact CD2-CB 4.45Å; F83-K90 HydrophobicContact CD2-CD 4.26Å; F83-K90 HydrophobicContact CD2-CG 4.2Å; F83-K90 HydrophobicContact CE2-CD 3.99Å; F83-K90 HydrophobicContact CE2-CG 4.24Å; F83-K90 HydrophobicContact CZ-CD 4.38Å; F83-Y91 CarbonylContact C-O 3.59Å; F83-Y91 WeakPolarHBondContact CA-O 3.5Å; F83-Y91 WeakPolarHBondContact CB-O 3.27Å
84	M	69.5	Low	69.6	Low	33 Å²	33	63.4 Å²	63.4	16%	0.163	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	147.4	172.9	-57.7	-61.8	-77.3	0	0	109.3	Y91 P93 F96	M84-Y91 PolarHBondContact N-O 3.39Å; M84-Y91 PolarHBondContact O-N 3.29Å; M84-P93 HydrophobicContact CG-CB 4.12Å; M84-P93 HydrophobicContact CG-CG 4.24Å; M84-F96 HydrophobicContact CB-CB 3.79Å; M84-F96 HydrophobicContact CB-CD1 3.83Å; M84-F96 HydrophobicContact CB-CD2 3.41Å; M84-F96 VanDerWaalsContact CB-CD2 3.41Å; M84-F96 HydrophobicContact CB-CE1 4.21Å; M84-F96 HydrophobicContact CB-CE2 3.8Å; M84-F96 HydrophobicContact CB-CG 3.41Å; M84-F96 VanDerWaalsContact CB-CG 3.41Å; M84-F96 HydrophobicContact CB-CZ 4.2Å; M84-F96 HydrophobicContact CE-CD1 3.67Å; M84-F96 HydrophobicContact CE-CE1 3.74Å; M84-F96 HydrophobicContact CE-CG 4.46Å; M84-F96 HydrophobicContact CG-CB 3.75Å; M84-F96 HydrophobicContact CG-CD1 3.9Å; M84-F96 HydrophobicContact CG-CD2 4.26Å; M84-F96 HydrophobicContact CG-CG 3.73Å
85	V	72.6	Confident	69.6	Low	69 Å²	69	62.9 Å²	62.9	42%	0.418	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.1	178.7	-174.3	0	0	0	0	109	F83 G87 F89 K90 Y111	F83-V85 HydrophobicContact CD2-CG2 3.72Å; F83-V85 HydrophobicContact CE2-CG2 3.68Å; V85-G87 WeakPolarHBondContact CG1-O 3.5Å; V85-F89 WeakPolarHBondContact CA-O 3.33Å; V85-K90 HydrophobicContact CG2-CG 4.45Å; V85-Y111 PolarHBondContact O-OH 2.9Å; V85-Y111 VanDerWaalsContact O-OH 3.14Å
86	A	71.4	Confident	69.8	Low	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	118	166.1	0	0	0	0	0	109.5	E88 F89 Y91 F96 Y111 L113 L119	A86-E88 PolarHBondContact O-N 3.36Å; A86-F89 PolarHBondContact N-O 3.31Å; A86-F89 PolarHBondContact O-N 2.77Å; A86-F89 VanDerWaalsContact O-N 3.14Å; A86-Y91 HydrophobicContact CB-CE2 4.26Å; A86-F96 HydrophobicContact CB-CE2 3.62Å; A86-F96 HydrophobicContact CB-CZ 3.97Å; A86-Y111 HydrophobicContact CB-CE2 3.66Å; A86-L113 HydrophobicContact CB-CD1 4.29Å; A86-L113 HydrophobicContact CB-CD2 4.22Å; A86-L119 HydrophobicContact CB-CD2 4.23Å
87	G	71.6	Confident	69.9	Low	51 Å²	51	57.5 Å²	57.5	53%	0.526	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-133.6	-167.4	0	0	0	0	0	110.7	V85 F89	V85-G87 WeakPolarHBondContact CG1-O 3.5Å; G87-F89 VanDerWaalsContact C-N 3.28Å; G87-F89 PolarHBondContact O-N 3.1Å
88	E	67.8	Low	70.3	Confident	187 Å²	187	51.9 Å²	51.9	87%	0.874	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.8	176.9	-55.6	-170.1	144.1	0	0	113.3	A86	A86-E88 PolarHBondContact O-N 3.36Å
89	F	76.4	Confident	70.9	Confident	66 Å²	66	54.4 Å²	54.4	29%	0.289	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130	-170	-61.8	-64.5	0	0	0	113.1	H73 V85 A86 G87 Y91 H116	H73-F89 HydrophobicContact CB-CB 3.99Å; H73-F89 HydrophobicContact CB-CD1 4.01Å; H73-F89 HydrophobicContact CB-CG 4.27Å; H73-F89 AromaticContact CE1-CD1 3.72Å; H73-F89 AromaticContact CE1-CE1 3.56Å; H73-F89 AromaticContact CG-CD1 3.56Å; H73-F89 AromaticContact CG-CG 3.89Å; H73-F89 AromaticContact ND1-CD1 3.25Å; H73-F89 WeakPolarHBondContact ND1-CD1 3.26Å; H73-F89 AromaticContact ND1-CE1 3.45Å; H73-F89 WeakPolarHBondContact ND1-CE1 3.4Å; H73-F89 AromaticContact ND1-CG 3.99Å; V85-F89 WeakPolarHBondContact CA-O 3.33Å; A86-F89 PolarHBondContact N-O 3.31Å; A86-F89 PolarHBondContact O-N 2.77Å; A86-F89 VanDerWaalsContact O-N 3.14Å; G87-F89 VanDerWaalsContact C-N 3.28Å; G87-F89 PolarHBondContact O-N 3.1Å; F89-Y91 HydrophobicContact CB-CD2 4.4Å; F89-Y91 HydrophobicContact CB-CE2 3.49Å; F89-Y91 VanDerWaalsContact CB-CE2 3.49Å; F89-Y91 WeakPolarHBondContact O-CD2 3.33Å; F89-Y91 WeakPolarHBondContact O-CE2 3.42Å; F89-H116 VanDerWaalsContact CE2-O 3.29Å; F89-H116 WeakPolarHBondContact CE2-O 3.36Å
90	K	77.4	Confident	71.3	Confident	61 Å²	61	56.6 Å²	56.6	27%	0.265	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.6	174.2	-63.8	-179.2	175.2	178	0	110.5	E70 C72 H73 M79 F83 V85	E70-K90 IonicContact OE1-NZ 3.41Å; E70-K90 PolarHBondContact OE1-NZ 2.98Å; E70-K90 WeakPolarHBondContact OE2-CD 3.29Å; E70-K90 IonicContact OE2-NZ 2.76Å; E70-K90 PolarHBondContact OE2-NZ 2.94Å; C72-K90 WeakPolarHBondContact CA-O 3.43Å; H73-K90 PolarHBondContact N-O 2.85Å; M79-K90 HydrophobicContact CE-CB 3.84Å; M79-K90 HydrophobicContact SD-CB 3.87Å; F83-K90 HydrophobicContact CD2-CB 4.45Å; F83-K90 HydrophobicContact CD2-CD 4.26Å; F83-K90 HydrophobicContact CD2-CG 4.2Å; F83-K90 HydrophobicContact CE2-CD 3.99Å; F83-K90 HydrophobicContact CE2-CG 4.24Å; F83-K90 HydrophobicContact CZ-CD 4.38Å; V85-K90 HydrophobicContact CG2-CG 4.45Å
91	Y	74.6	Confident	72.2	Confident	7 Å²	7	55.2 Å²	55.2	3%	0.027	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.9	-178.9	-58.3	-98.3	0	0	0	110.6	H73 M79 F83 M84 A86 F89 F96 L119	H73-Y91 HydrophobicContact CB-CD1 4.36Å; H73-Y91 HydrophobicContact CB-CE1 3.92Å; H73-Y91 AromaticContact CD2-CE1 3.9Å; H73-Y91 AromaticContact CD2-CZ 3.9Å; H73-Y91 PolarHBondContact CD2-OH 3.15Å; M79-Y91 VanDerWaalsContact CE-C 3.42Å; M79-Y91 WeakPolarHBondContact CE-O 3.35Å; F83-Y91 CarbonylContact C-O 3.59Å; F83-Y91 WeakPolarHBondContact CA-O 3.5Å; F83-Y91 WeakPolarHBondContact CB-O 3.27Å; M84-Y91 PolarHBondContact N-O 3.39Å; M84-Y91 PolarHBondContact O-N 3.29Å; A86-Y91 HydrophobicContact CB-CE2 4.26Å; F89-Y91 HydrophobicContact CB-CD2 4.4Å; F89-Y91 HydrophobicContact CB-CE2 3.49Å; F89-Y91 VanDerWaalsContact CB-CE2 3.49Å; F89-Y91 WeakPolarHBondContact O-CD2 3.33Å; F89-Y91 WeakPolarHBondContact O-CE2 3.42Å; Y91-F96 AromaticContact CD2-CD2 3.72Å; Y91-F96 HydrophobicContact CD2-CD2 3.72Å; Y91-F96 AromaticContact CD2-CE2 3.99Å; Y91-F96 HydrophobicContact CD2-CE2 3.99Å; Y91-F96 HydrophobicContact CE2-CD2 4.4Å; Y91-F96 HydrophobicContact CE2-CE2 4.39Å; Y91-F96 AromaticContact CG-CD2 3.9Å; Y91-F96 HydrophobicContact CG-CD2 3.9Å; Y91-L119 HydrophobicContact CD1-CD1 4.42Å; Y91-L119 HydrophobicContact CD2-CD1 4.45Å; Y91-L119 HydrophobicContact CE1-CD1 4.04Å; Y91-L119 HydrophobicContact CE2-CD1 4.07Å
92	H	70.7	Confident	73.1	Confident	28 Å²	28	60.1 Å²	60.1	13%	0.13	33%	0.327	C	S	.	.			trans	-59.9	145.8	156.5	-52.9	101.1	0	0	0	108.7	C72 C75 L77 L78 E94 C95 F96	C72-H92 WeakPolarHBondContact CB-CE1 3.41Å; C72-H92 WeakPolarHBondContact CB-ND1 3.43Å; C72-H92 PolarHBondContact SG-N 3.38Å; C72-H92 VanDerWaalsContact SG-N 3.38Å; C72-H92 PolarHBondContact SG-ND1 2.85Å; C75-H92 VanDerWaalsContact SG-CE1 3.52Å; C75-H92 PolarHBondContact SG-ND1 3.31Å; C75-H92 VanDerWaalsContact SG-ND1 3.35Å; L77-H92 PolarHBondContact O-CE1 3.45Å; L78-H92 PolarHBondContact O-NE2 3.49Å; H92-E94 HydrophobicContact CB-CG 4.08Å; H92-E94 WeakPolarHBondContact CB-OE2 3.49Å; H92-E94 PolarHBondContact O-N 2.95Å; H92-C95 HydrophobicContact CB-CB 4.31Å; H92-C95 CarbonylContact O-C 3.42Å; H92-C95 WeakPolarHBondContact O-CA 3.43Å; H92-C95 WeakPolarHBondContact O-CB 3.28Å; H92-C95 PolarHBondContact O-N 3.11Å; H92-F96 PolarHBondContact O-N 2.87Å
93	P	73.9	Confident	74.6	Confident	43 Å²	43	59.8 Å²	59.8	28%	0.279	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-53.9	-40.1	178	-26.8	35.8	0	0	0	113	P82 M84 C95 F96 I104	P82-P93 WeakPolarHBondContact O-CD 3.45Å; M84-P93 HydrophobicContact CG-CB 4.12Å; M84-P93 HydrophobicContact CG-CG 4.24Å; P93-C95 PolarHBondContact O-N 3.35Å; P93-F96 WeakPolarHBondContact O-CB 3.14Å; P93-F96 PolarHBondContact O-N 2.93Å; P93-I104 WeakPolarHBondContact O-CG2 3.43Å
94	E	75.2	Confident	75.3	Confident	127 Å²	127	59.2 Å²	59.2	59%	0.593	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-67.2	-15.2	174.7	63	-94.2	-138.6	0	0	115	H92 I104	H92-E94 HydrophobicContact CB-CG 4.08Å; H92-E94 WeakPolarHBondContact CB-OE2 3.49Å; H92-E94 PolarHBondContact O-N 2.95Å; E94-I104 HydrophobicContact CB-CD1 4.44Å
95	C	70.9	Confident	75.6	Confident	35 Å²	35	57.8 Å²	57.8	24%	0.236	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-94.8	-10.7	172	-64.2	0	0	0	0	112.6	H92 P93 A97	H92-C95 HydrophobicContact CB-CB 4.31Å; H92-C95 CarbonylContact O-C 3.42Å; H92-C95 WeakPolarHBondContact O-CA 3.43Å; H92-C95 WeakPolarHBondContact O-CB 3.28Å; H92-C95 PolarHBondContact O-N 3.11Å; P93-C95 PolarHBondContact O-N 3.35Å; C95-A97 PolarHBondContact O-N 3.28Å
96	F	81.4	Confident	75.5	Confident	1 Å²	1	61.1 Å²	61.1	0%	0.004	33%	0.327	C	S	.	.			trans	-83.6	61.3	-179.4	-157.3	-109.8	0	0	0	110.8	M84 A86 Y91 H92 P93 I105 Y111 L119	M84-F96 HydrophobicContact CB-CB 3.79Å; M84-F96 HydrophobicContact CB-CD1 3.83Å; M84-F96 HydrophobicContact CB-CD2 3.41Å; M84-F96 VanDerWaalsContact CB-CD2 3.41Å; M84-F96 HydrophobicContact CB-CE1 4.21Å; M84-F96 HydrophobicContact CB-CE2 3.8Å; M84-F96 HydrophobicContact CB-CG 3.41Å; M84-F96 VanDerWaalsContact CB-CG 3.41Å; M84-F96 HydrophobicContact CB-CZ 4.2Å; M84-F96 HydrophobicContact CE-CD1 3.67Å; M84-F96 HydrophobicContact CE-CE1 3.74Å; M84-F96 HydrophobicContact CE-CG 4.46Å; M84-F96 HydrophobicContact CG-CB 3.75Å; M84-F96 HydrophobicContact CG-CD1 3.9Å; M84-F96 HydrophobicContact CG-CD2 4.26Å; M84-F96 HydrophobicContact CG-CG 3.73Å; A86-F96 HydrophobicContact CB-CE2 3.62Å; A86-F96 HydrophobicContact CB-CZ 3.97Å; Y91-F96 AromaticContact CD2-CD2 3.72Å; Y91-F96 HydrophobicContact CD2-CD2 3.72Å; Y91-F96 AromaticContact CD2-CE2 3.99Å; Y91-F96 HydrophobicContact CD2-CE2 3.99Å; Y91-F96 HydrophobicContact CE2-CD2 4.4Å; Y91-F96 HydrophobicContact CE2-CE2 4.39Å; Y91-F96 AromaticContact CG-CD2 3.9Å; Y91-F96 HydrophobicContact CG-CD2 3.9Å; H92-F96 PolarHBondContact O-N 2.87Å; P93-F96 WeakPolarHBondContact O-CB 3.14Å; P93-F96 PolarHBondContact O-N 2.93Å; F96-I105 HydrophobicContact CD1-CB 3.83Å; F96-I105 HydrophobicContact CD1-CG2 4.11Å; F96-I105 HydrophobicContact CE1-CB 4.15Å; F96-I105 HydrophobicContact CE1-CG2 3.93Å; F96-I105 WeakPolarHBondContact O-CB 3.49Å; F96-I105 PolarHBondContact O-N 3.38Å; F96-Y111 HydrophobicContact CE1-CD1 4.03Å; F96-Y111 HydrophobicContact CE1-CE1 4.16Å; F96-Y111 HydrophobicContact CE1-CG 4.42Å; F96-Y111 HydrophobicContact CZ-CD1 4.04Å; F96-Y111 HydrophobicContact CZ-CD2 4.42Å; F96-Y111 AromaticContact CZ-CE1 3.82Å; F96-Y111 HydrophobicContact CZ-CE1 3.82Å; F96-Y111 HydrophobicContact CZ-CE2 4.24Å; F96-Y111 HydrophobicContact CZ-CG 4.34Å; F96-Y111 AromaticContact CZ-CZ 3.92Å; F96-L119 HydrophobicContact CD2-CD1 3.57Å; F96-L119 HydrophobicContact CD2-CD2 4.29Å; F96-L119 HydrophobicContact CE1-CD2 4.25Å; F96-L119 HydrophobicContact CE2-CD1 3.72Å; F96-L119 HydrophobicContact CE2-CD2 3.79Å; F96-L119 HydrophobicContact CE2-CG 4.39Å; F96-L119 HydrophobicContact CG-CD1 4.27Å; F96-L119 HydrophobicContact CZ-CD1 4.49Å; F96-L119 HydrophobicContact CZ-CD2 3.75Å
97	A	80.9	Confident	74.8	Confident	28 Å²	28	68.5 Å²	68.5	23%	0.231	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-115.9	144.5	-170.8	0	0	0	0	0	112.9	C95 M99 V103 I104	C95-A97 PolarHBondContact O-N 3.28Å; A97-M99 PolarHBondContact O-N 2.87Å; A97-V103 CarbonylContact C-O 3.59Å; A97-V103 WeakPolarHBondContact CA-O 3.42Å; A97-I104 HydrophobicContact CB-CG1 4.33Å
98	C	81.7	Confident	74.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.363	C	S	.	.			trans	-62.4	126.9	176.8	173.2	0	0	0	0	111.6	S100 C101 K102 V103 I105 L119 C121	C98-S100 VanDerWaalsContact C-N 3.26Å; C98-S100 PolarHBondContact O-N 3.23Å; C98-S100 PolarHBondContact SG-N 2.84Å; C98-C101 VanDerWaalsContact CB-SG 3.59Å; C98-K102 WeakPolarHBondContact O-CA 3.38Å; C98-K102 PolarHBondContact O-N 3.03Å; C98-V103 PolarHBondContact N-O 2.79Å; C98-I105 HydrophobicContact CB-CD1 4.35Å; C98-L119 CarbonylContact C-O 3.56Å; C98-L119 WeakPolarHBondContact CA-O 3.48Å; C98-C121 HydrophobicContact CB-CB 4.08Å; C98-C121 PolarHBondContact SG-N 3.02Å; C98-C121 VanDerWaalsContact SG-N 3.45Å
99	M	79.4	Confident	74.3	Confident	96 Å²	96	63.2 Å²	63.2	47%	0.473	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.4	-178.9	-172.9	58.5	74.4	0	0	113.3	A97 K102 T118 L119 Y120	A97-M99 PolarHBondContact O-N 2.87Å; M99-K102 VanDerWaalsContact O-CE 3.27Å; M99-K102 WeakPolarHBondContact O-CE 3.39Å; M99-K102 PolarHBondContact O-NZ 3.49Å; M99-K102 PolarHBondContact SD-NZ 2.98Å; M99-T118 HydrophobicContact CB-CG2 3.73Å; M99-T118 HydrophobicContact CE-CG2 4.18Å; M99-T118 HydrophobicContact CG-CG2 3.74Å; M99-L119 WeakPolarHBondContact CB-O 3.49Å; M99-L119 PolarHBondContact N-O 3.18Å; M99-Y120 HydrophobicContact CB-CE1 4.42Å
100	S	76.6	Confident	74	Confident	56 Å²	56	62.7 Å²	62.7	39%	0.392	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-70.8	176.6	175.5	0	0	0	0	112.1	C98 K102	C98-S100 VanDerWaalsContact C-N 3.26Å; C98-S100 PolarHBondContact O-N 3.23Å; C98-S100 PolarHBondContact SG-N 2.84Å; S100-K102 PolarHBondContact O-N 3.14Å
101	C	75.8	Confident	74.1	Confident	55 Å²	55	61 Å²	61	37%	0.372	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.8	-168.8	63.7	0	0	0	0	114.7	C98 V103	C98-C101 VanDerWaalsContact CB-SG 3.59Å; C101-V103 HydrophobicContact CB-CG2 4.23Å; C101-V103 PolarHBondContact O-N 3.14Å
102	K	77.7	Confident	74	Confident	137 Å²	137	60.7 Å²	60.7	60%	0.596	34%	0.342	S	S	*	.			trans	56.9	15.5	-177.3	-50.5	-52.4	-170	-169.4	0	115.2	C98 M99 S100	C98-K102 WeakPolarHBondContact O-CA 3.38Å; C98-K102 PolarHBondContact O-N 3.03Å; M99-K102 VanDerWaalsContact O-CE 3.27Å; M99-K102 WeakPolarHBondContact O-CE 3.39Å; M99-K102 PolarHBondContact O-NZ 3.49Å; M99-K102 PolarHBondContact SD-NZ 2.98Å; S100-K102 PolarHBondContact O-N 3.14Å
103	V	77.4	Confident	74.3	Confident	85 Å²	85	59.8 Å²	59.8	52%	0.515	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-72.2	131.4	170.5	177	0	0	0	0	108.8	A97 C98 C101	A97-V103 CarbonylContact C-O 3.59Å; A97-V103 WeakPolarHBondContact CA-O 3.42Å; C98-V103 PolarHBondContact N-O 2.79Å; C101-V103 HydrophobicContact CB-CG2 4.23Å; C101-V103 PolarHBondContact O-N 3.14Å
104	I	78.9	Confident	74	Confident	78 Å²	78	58.1 Å²	58.1	40%	0.4	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-66.1	136.1	169.9	-65.5	164	0	0	0	108.1	P93 E94 A97	P93-I104 WeakPolarHBondContact O-CG2 3.43Å; E94-I104 HydrophobicContact CB-CD1 4.44Å; A97-I104 HydrophobicContact CB-CG1 4.33Å
105	I	75	Confident	73.5	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.015	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-94.6	118.9	178.6	-61.1	174.9	0	0	0	106.3	F96 C98 D109 Y111 L119 C121	F96-I105 HydrophobicContact CD1-CB 3.83Å; F96-I105 HydrophobicContact CD1-CG2 4.11Å; F96-I105 HydrophobicContact CE1-CB 4.15Å; F96-I105 HydrophobicContact CE1-CG2 3.93Å; F96-I105 WeakPolarHBondContact O-CB 3.49Å; F96-I105 PolarHBondContact O-N 3.38Å; C98-I105 HydrophobicContact CB-CD1 4.35Å; I105-D109 HydrophobicContact CG2-CB 3.59Å; I105-Y111 HydrophobicContact CG2-CD1 4.49Å; I105-L119 HydrophobicContact CD1-CD2 4.37Å; I105-C121 HydrophobicContact CD1-CB 3.94Å; I105-C121 HydrophobicContact CG1-CB 3.98Å
106	E	70.4	Confident	72.8	Confident	139 Å²	139	62.2 Å²	62.2	65%	0.65	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-85.9	171	-175.4	-63.9	-172.8	176.9	0	0	111.7	G108 D109	E106-G108 PolarHBondContact O-N 3.06Å; E106-D109 PolarHBondContact N-OD2 2.89Å; E106-D109 VanDerWaalsContact N-OD2 3.11Å; E106-D109 WeakPolarHBondContact O-CB 3.37Å; E106-D109 PolarHBondContact O-N 2.88Å
107	D	57.3	Low	71.8	Confident	155 Å²	155	64.4 Å²	64.4	83%	0.829	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	127.4	179	-172.2	22.2	0	0	0	110.8
108	G	59.6	Low	71.5	Confident	44 Å²	44	64.5 Å²	64.5	45%	0.454	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-5.3	-170.6	0	0	0	0	0	116.4	E106	E106-G108 PolarHBondContact O-N 3.06Å
109	D	70.1	Confident	71.5	Confident	83 Å²	83	64.8 Å²	64.8	44%	0.444	36%	0.36	S	S	.	.			trans	-70.5	141.9	171.7	-94.1	-33.9	0	0	0	111.8	I105 E106 Y111	I105-D109 HydrophobicContact CG2-CB 3.59Å; E106-D109 PolarHBondContact N-OD2 2.89Å; E106-D109 VanDerWaalsContact N-OD2 3.11Å; E106-D109 WeakPolarHBondContact O-CB 3.37Å; E106-D109 PolarHBondContact O-N 2.88Å; D109-Y111 PolarHBondContact O-N 2.94Å
110	A	69.4	Low	71.3	Confident	56 Å²	56	62.1 Å²	62.1	46%	0.463	35%	0.345	S	S	.	.			trans	-72.8	122.8	175.2	0	0	0	0	0	111.4	G122	A110-G122 PolarHBondContact O-N 2.83Å
111	Y	78.8	Confident	71.4	Confident	24 Å²	24	60.6 Å²	60.6	9%	0.094	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	164.6	175.5	75	-94	0	0	0	112.4	V85 A86 F96 I105 D109 L119 Y120 T151 L152	V85-Y111 PolarHBondContact O-OH 2.9Å; V85-Y111 VanDerWaalsContact O-OH 3.14Å; A86-Y111 HydrophobicContact CB-CE2 3.66Å; F96-Y111 HydrophobicContact CE1-CD1 4.03Å; F96-Y111 HydrophobicContact CE1-CE1 4.16Å; F96-Y111 HydrophobicContact CE1-CG 4.42Å; F96-Y111 HydrophobicContact CZ-CD1 4.04Å; F96-Y111 HydrophobicContact CZ-CD2 4.42Å; F96-Y111 AromaticContact CZ-CE1 3.82Å; F96-Y111 HydrophobicContact CZ-CE1 3.82Å; F96-Y111 HydrophobicContact CZ-CE2 4.24Å; F96-Y111 HydrophobicContact CZ-CG 4.34Å; F96-Y111 AromaticContact CZ-CZ 3.92Å; I105-Y111 HydrophobicContact CG2-CD1 4.49Å; D109-Y111 PolarHBondContact O-N 2.94Å; Y111-L119 HydrophobicContact CD2-CD2 3.66Å; Y111-L119 HydrophobicContact CE2-CD2 4.18Å; Y111-L119 HydrophobicContact CG-CD2 4.18Å; Y111-Y120 CarbonylContact C-O 3.51Å; Y111-Y120 VanDerWaalsContact CA-O 3.28Å; Y111-Y120 WeakPolarHBondContact CA-O 3.45Å; Y111-Y120 WeakPolarHBondContact CB-O 3.46Å; Y111-T151 WeakPolarHBondContact O-CA 3.4Å; Y111-L152 HydrophobicContact CE1-CB 4.25Å; Y111-L152 HydrophobicContact CE1-CD2 4.43Å
112	A	73.9	Confident	71.1	Confident	1 Å²	1	59 Å²	59	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132	169.7	0	0	0	0	0	109.6	V114 Y120 H125 V150 T151	A112-V114 HydrophobicContact CB-CG2 4.45Å; A112-Y120 PolarHBondContact N-O 2.85Å; A112-Y120 PolarHBondContact O-N 3.39Å; A112-H125 HydrophobicContact CB-CB 4.01Å; A112-H125 WeakPolarHBondContact CB-CD2 3.47Å; A112-V150 WeakPolarHBondContact CA-O 3.37Å; A112-T151 HydrophobicContact CB-CG2 4.09Å
113	L	75.3	Confident	70.8	Confident	9 Å²	9	60.1 Å²	60.1	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	109.5	170.5	-172.6	70.2	0	0	0	109	A86 H116 L119 S149 V150	A86-L113 HydrophobicContact CB-CD1 4.29Å; A86-L113 HydrophobicContact CB-CD2 4.22Å; L113-H116 WeakPolarHBondContact CD2-O 3.34Å; L113-L119 HydrophobicContact CD1-CG 4.06Å; L113-S149 WeakPolarHBondContact O-CA 3.4Å; L113-V150 PolarHBondContact N-O 3.43Å; L113-V150 VanDerWaalsContact N-O 3.07Å; L113-V150 PolarHBondContact O-N 3Å
114	V	69.3	Low	70.5	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.3	-173.5	177.3	0	0	0	0	109.9	A112 H116 T118 Y120 V129 P147	A112-V114 HydrophobicContact CB-CG2 4.45Å; V114-H116 PolarHBondContact O-N 3.27Å; V114-T118 PolarHBondContact N-O 3.24Å; V114-T118 WeakPolarHBondContact O-CA 3.49Å; V114-T118 WeakPolarHBondContact O-CB 3.37Å; V114-T118 PolarHBondContact O-N 3.07Å; V114-T118 PolarHBondContact O-OG1 2.82Å; V114-Y120 HydrophobicContact CB-CD2 3.97Å; V114-Y120 HydrophobicContact CB-CE2 3.94Å; V114-Y120 HydrophobicContact CG1-CE2 4.43Å; V114-Y120 HydrophobicContact CG2-CD2 3.67Å; V114-Y120 HydrophobicContact CG2-CE2 4.05Å; V114-V129 HydrophobicContact CG2-CG2 4.4Å; V114-P147 HydrophobicContact CG1-CB 3.94Å; V114-P147 HydrophobicContact CG1-CG 4.15Å
115	Q	63.7	Low	70.2	Confident	131 Å²	131	53.5 Å²	53.5	61%	0.612	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	39.8	-176.2	-64.4	177	-16.3	0	0	112.7	A117 P147 Y148	Q115-A117 PolarHBondContact O-N 2.59Å; Q115-P147 HydrophobicContact CG-CB 4.42Å; Q115-Y148 PolarHBondContact N-O 2.81Å
116	H	56.8	Low	69.8	Low	116 Å²	116	57.3 Å²	57.3	54%	0.537	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-10.2	178	-51	133.3	0	0	0	118.1	F89 L113 V114	F89-H116 VanDerWaalsContact CE2-O 3.29Å; F89-H116 WeakPolarHBondContact CE2-O 3.36Å; L113-H116 WeakPolarHBondContact CD2-O 3.34Å; V114-H116 PolarHBondContact O-N 3.27Å
117	A	60.7	Low	69.5	Low	47 Å²	47	56.9 Å²	56.9	39%	0.388	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-13	-179.1	0	0	0	0	0	114.8	Q115	Q115-A117 PolarHBondContact O-N 2.59Å
118	T	74.4	Confident	69.7	Low	30 Å²	30	52.9 Å²	52.9	18%	0.184	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.7	-169.3	-38.1	0	0	0	0	111.7	M99 V114 Y120	M99-T118 HydrophobicContact CB-CG2 3.73Å; M99-T118 HydrophobicContact CE-CG2 4.18Å; M99-T118 HydrophobicContact CG-CG2 3.74Å; V114-T118 PolarHBondContact N-O 3.24Å; V114-T118 WeakPolarHBondContact O-CA 3.49Å; V114-T118 WeakPolarHBondContact O-CB 3.37Å; V114-T118 PolarHBondContact O-N 3.07Å; V114-T118 PolarHBondContact O-OG1 2.82Å; T118-Y120 HydrophobicContact CG2-CD2 4.22Å; T118-Y120 HydrophobicContact CG2-CE2 3.39Å; T118-Y120 WeakPolarHBondContact O-CD2 3.48Å
119	L	80.4	Confident	69.7	Low	7 Å²	7	51.7 Å²	51.7	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.4	177.4	-89.1	153.5	0	0	0	112.6	A86 Y91 F96 C98 M99 I105 Y111 L113	A86-L119 HydrophobicContact CB-CD2 4.23Å; Y91-L119 HydrophobicContact CD1-CD1 4.42Å; Y91-L119 HydrophobicContact CD2-CD1 4.45Å; Y91-L119 HydrophobicContact CE1-CD1 4.04Å; Y91-L119 HydrophobicContact CE2-CD1 4.07Å; F96-L119 HydrophobicContact CD2-CD1 3.57Å; F96-L119 HydrophobicContact CD2-CD2 4.29Å; F96-L119 HydrophobicContact CE1-CD2 4.25Å; F96-L119 HydrophobicContact CE2-CD1 3.72Å; F96-L119 HydrophobicContact CE2-CD2 3.79Å; F96-L119 HydrophobicContact CE2-CG 4.39Å; F96-L119 HydrophobicContact CG-CD1 4.27Å; F96-L119 HydrophobicContact CZ-CD1 4.49Å; F96-L119 HydrophobicContact CZ-CD2 3.75Å; C98-L119 CarbonylContact C-O 3.56Å; C98-L119 WeakPolarHBondContact CA-O 3.48Å; M99-L119 WeakPolarHBondContact CB-O 3.49Å; M99-L119 PolarHBondContact N-O 3.18Å; I105-L119 HydrophobicContact CD1-CD2 4.37Å; Y111-L119 HydrophobicContact CD2-CD2 3.66Å; Y111-L119 HydrophobicContact CE2-CD2 4.18Å; Y111-L119 HydrophobicContact CG-CD2 4.18Å; L113-L119 HydrophobicContact CD1-CG 4.06Å
120	Y	75.6	Confident	69.1	Low	40 Å²	40	50 Å²	50	16%	0.157	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141	168.2	-68.6	-97.7	0	0	0	110.6	M99 Y111 A112 V114 T118 C124 V129	M99-Y120 HydrophobicContact CB-CE1 4.42Å; Y111-Y120 CarbonylContact C-O 3.51Å; Y111-Y120 VanDerWaalsContact CA-O 3.28Å; Y111-Y120 WeakPolarHBondContact CA-O 3.45Å; Y111-Y120 WeakPolarHBondContact CB-O 3.46Å; A112-Y120 PolarHBondContact N-O 2.85Å; A112-Y120 PolarHBondContact O-N 3.39Å; V114-Y120 HydrophobicContact CB-CD2 3.97Å; V114-Y120 HydrophobicContact CB-CE2 3.94Å; V114-Y120 HydrophobicContact CG1-CE2 4.43Å; V114-Y120 HydrophobicContact CG2-CD2 3.67Å; V114-Y120 HydrophobicContact CG2-CE2 4.05Å; T118-Y120 HydrophobicContact CG2-CD2 4.22Å; T118-Y120 HydrophobicContact CG2-CE2 3.39Å; T118-Y120 WeakPolarHBondContact O-CD2 3.48Å; Y120-C124 HydrophobicContact CD1-CB 4.34Å; Y120-V129 HydrophobicContact CD1-CG2 4.27Å; Y120-V129 HydrophobicContact CD2-CG2 4.4Å; Y120-V129 HydrophobicContact CE1-CG2 4.22Å; Y120-V129 HydrophobicContact CE2-CG2 4.34Å; Y120-V129 HydrophobicContact CG-CG2 4.37Å
121	C	78.9	Confident	68.4	Low	24 Å²	24	49.4 Å²	49.4	16%	0.162	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	152.6	167.4	68.7	0	0	0	0	109.8	C98 I105 K123 C124 H125	C98-C121 HydrophobicContact CB-CB 4.08Å; C98-C121 PolarHBondContact SG-N 3.02Å; C98-C121 VanDerWaalsContact SG-N 3.45Å; I105-C121 HydrophobicContact CD1-CB 3.94Å; I105-C121 HydrophobicContact CG1-CB 3.98Å; C121-K123 PolarHBondContact O-N 2.86Å; C121-C124 PolarHBondContact O-N 3.01Å; C121-H125 PolarHBondContact O-N 3.43Å
122	G	68.5	Low	67.2	Low	21 Å²	21	50.8 Å²	50.8	22%	0.216	28%	0.276	C	S	.	.	H	α-helix	trans	-54.9	-30.2	-169.8	0	0	0	0	0	115.3	A110 N126	A110-G122 PolarHBondContact O-N 2.83Å; G122-N126 PolarHBondContact O-N 3Å; G122-N126 PolarHBondContact O-ND2 2.86Å; G122-N126 PolarHBondContact O-OD1 2.93Å
123	K	72.8	Confident	66	Low	160 Å²	160	53.5 Å²	53.5	70%	0.696	29%	0.289	S	S	*	.	H	α-helix	trans	-67.1	-53.6	173.1	-66.7	179.1	-178	171.6	0	111.8	C121 H125 N126 E127	C121-K123 PolarHBondContact O-N 2.86Å; K123-H125 VanDerWaalsContact C-N 3.29Å; K123-H125 PolarHBondContact O-N 2.84Å; K123-N126 PolarHBondContact O-N 3.06Å; K123-N126 VanDerWaalsContact O-N 3.17Å; K123-E127 WeakPolarHBondContact O-CB 3.45Å; K123-E127 WeakPolarHBondContact O-CG 3.47Å; K123-E127 PolarHBondContact O-N 2.92Å
124	C	70.6	Confident	64.7	Low	11 Å²	11	59.7 Å²	59.7	7%	0.074	32%	0.315	C	S	.	.	H	α-helix	trans	-69.3	-26.4	179.2	-65.5	0	0	0	0	113	Y120 C121 V128	Y120-C124 HydrophobicContact CD1-CB 4.34Å; C121-C124 PolarHBondContact O-N 3.01Å; C124-V128 HydrophobicContact CB-CG2 4.33Å; C124-V128 WeakPolarHBondContact O-CA 3.42Å; C124-V128 WeakPolarHBondContact O-CB 3.49Å; C124-V128 WeakPolarHBondContact O-CG2 3.06Å; C124-V128 PolarHBondContact O-N 3.38Å
125	H	73.4	Confident	63.6	Low	13 Å²	13	66.6 Å²	66.6	6%	0.06	35%	0.347	C	S	.	.	I	π-helix	trans	-59.4	-52.7	167.8	-178.9	-107.9	0	0	0	110.5	A112 C121 K123 E127 V129 L130	A112-H125 HydrophobicContact CB-CB 4.01Å; A112-H125 WeakPolarHBondContact CB-CD2 3.47Å; C121-H125 PolarHBondContact O-N 3.43Å; K123-H125 VanDerWaalsContact C-N 3.29Å; K123-H125 PolarHBondContact O-N 2.84Å; H125-E127 PolarHBondContact O-N 2.83Å; H125-V129 WeakPolarHBondContact O-CA 3.34Å; H125-V129 VanDerWaalsContact O-CB 3.24Å; H125-V129 WeakPolarHBondContact O-CB 3.28Å; H125-V129 PolarHBondContact O-N 3.38Å; H125-L130 PolarHBondContact O-N 3.45Å
126	N	65.1	Low	62.7	Low	84 Å²	84	69.3 Å²	69.3	45%	0.449	35%	0.352	S	S	.	.	I	π-helix	trans	-66.3	-40.2	-178.7	-64	-5.5	0	0	0	112.6	G122 K123 A131	G122-N126 PolarHBondContact O-N 3Å; G122-N126 PolarHBondContact O-ND2 2.86Å; G122-N126 PolarHBondContact O-OD1 2.93Å; K123-N126 PolarHBondContact O-N 3.06Å; K123-N126 VanDerWaalsContact O-N 3.17Å; N126-A131 WeakPolarHBondContact O-CB 3.13Å; N126-A131 PolarHBondContact O-N 3.23Å
127	E	65.1	Low	62.1	Low	130 Å²	130	70.5 Å²	70.5	61%	0.607	36%	0.361	S	S	*	.	I	π-helix	trans	-83	-30.9	-175.8	-68.9	169.5	177.4	0	0	114.3	K123 H125	K123-E127 WeakPolarHBondContact O-CB 3.45Å; K123-E127 WeakPolarHBondContact O-CG 3.47Å; K123-E127 PolarHBondContact O-N 2.92Å; H125-E127 PolarHBondContact O-N 2.83Å
128	V	60.8	Low	61.5	Low	71 Å²	71	73.1 Å²	73.1	43%	0.43	38%	0.377	S	S	.	.	I	π-helix	trans	-111.8	-25.7	-171.7	-169.5	0	0	0	0	112.7	C124	C124-V128 HydrophobicContact CB-CG2 4.33Å; C124-V128 WeakPolarHBondContact O-CA 3.42Å; C124-V128 WeakPolarHBondContact O-CB 3.49Å; C124-V128 WeakPolarHBondContact O-CG2 3.06Å; C124-V128 PolarHBondContact O-N 3.38Å
129	V	60.2	Low	60.1	Low	18 Å²	18	76.6 Å²	76.6	11%	0.109	40%	0.398	C	S	.	.	I	π-helix	trans	-101.9	-48.8	178.9	-169.6	0	0	0	0	110.8	V114 Y120 H125 P147	V114-V129 HydrophobicContact CG2-CG2 4.4Å; Y120-V129 HydrophobicContact CD1-CG2 4.27Å; Y120-V129 HydrophobicContact CD2-CG2 4.4Å; Y120-V129 HydrophobicContact CE1-CG2 4.22Å; Y120-V129 HydrophobicContact CE2-CG2 4.34Å; Y120-V129 HydrophobicContact CG-CG2 4.37Å; H125-V129 WeakPolarHBondContact O-CA 3.34Å; H125-V129 VanDerWaalsContact O-CB 3.24Å; H125-V129 WeakPolarHBondContact O-CB 3.28Å; H125-V129 PolarHBondContact O-N 3.38Å; V129-P147 HydrophobicContact CG1-CG 3.84Å
130	L	57	Low	58.2	Low	48 Å²	48	85.3 Å²	85.3	25%	0.251	44%	0.439	S	S	.	.	I	π-helix	trans	-85.9	-47	-175	-56.9	-177.1	0	0	0	114.1	H125 M133 F134	H125-L130 PolarHBondContact O-N 3.45Å; L130-M133 WeakPolarHBondContact O-CB 3.41Å; L130-M133 PolarHBondContact O-N 2.66Å; L130-F134 HydrophobicContact CB-CD2 4.45Å; L130-F134 HydrophobicContact CB-CE2 4.18Å; L130-F134 WeakPolarHBondContact O-CD2 3.25Å; L130-F134 PolarHBondContact O-N 2.85Å
131	A	55.1	Low	56.8	Low	44 Å²	44	89.1 Å²	89.1	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-57.4	-42.8	-175.3	0	0	0	0	0	114.3	N126 M133 F134 E135	N126-A131 WeakPolarHBondContact O-CB 3.13Å; N126-A131 PolarHBondContact O-N 3.23Å; A131-M133 PolarHBondContact O-N 3.41Å; A131-F134 PolarHBondContact O-N 3.36Å; A131-E135 PolarHBondContact O-N 2.75Å
132	P	52.8	Low	55	Low	53 Å²	53	93.9 Å²	93.9	34%	0.344	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-17.8	176	-21.9	35.2	0	0	0	114.1	R136	P132-R136 WeakPolarHBondContact O-CD 3.41Å; P132-R136 VanDerWaalsContact O-CG 3.27Å; P132-R136 WeakPolarHBondContact O-CG 3.48Å
133	M	50.1	Low	53.7	Low	57 Å²	57	101.5 Å²	101.5	28%	0.281	53%	0.529	S	S	.	.	H	α-helix	trans	-84.7	-34.5	175.1	-65.9	-170.8	153.2	0	0	111.9	L130 A131 R136 L137 Q145 L146	L130-M133 WeakPolarHBondContact O-CB 3.41Å; L130-M133 PolarHBondContact O-N 2.66Å; A131-M133 PolarHBondContact O-N 3.41Å; M133-R136 PolarHBondContact O-N 2.7Å; M133-L137 WeakPolarHBondContact O-CG 3.17Å; M133-L137 PolarHBondContact O-N 3.42Å; M133-Q145 WeakPolarHBondContact CE-O 3.47Å; M133-L146 HydrophobicContact SD-CD2 3.61Å; M133-L146 HydrophobicContact SD-CG 4.29Å
134	F	47.4	Very low	52.2	Low	139 Å²	139	99.5 Å²	99.5	61%	0.61	53%	0.526	S	S	*	.	H	α-helix	trans	-66.5	-36.7	174.2	-76.6	-68.4	0	0	0	113.3	L130 A131 L137	L130-F134 HydrophobicContact CB-CD2 4.45Å; L130-F134 HydrophobicContact CB-CE2 4.18Å; L130-F134 WeakPolarHBondContact O-CD2 3.25Å; L130-F134 PolarHBondContact O-N 2.85Å; A131-F134 PolarHBondContact O-N 3.36Å; F134-L137 HydrophobicContact CD1-CD1 4.41Å
135	E	46.3	Very low	51.1	Low	154 Å²	154	105.8 Å²	105.8	72%	0.72	55%	0.554	S	S	*	*	H	α-helix	trans	-67.5	-43.9	173	-69.7	-172.2	137.2	0	0	111.6	A131 L137 S138	A131-E135 PolarHBondContact O-N 2.75Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 3.29Å; E135-S138 WeakPolarHBondContact O-CB 3.48Å; E135-S138 PolarHBondContact O-N 2.92Å
136	R	43.6	Very low	49.8	Very low	189 Å²	189	109 Å²	109	71%	0.713	57%	0.571	S	S	*	*	H	α-helix	trans	-64.4	-27.7	179.1	-74.3	176.6	-180	-168.7	-0.5	114	P132 M133 S138 T139	P132-R136 WeakPolarHBondContact O-CD 3.41Å; P132-R136 VanDerWaalsContact O-CG 3.27Å; P132-R136 WeakPolarHBondContact O-CG 3.48Å; M133-R136 PolarHBondContact O-N 2.7Å; R136-S138 PolarHBondContact O-N 3.39Å; R136-S138 VanDerWaalsContact O-N 3.11Å; R136-T139 PolarHBondContact O-N 3.3Å
137	L	45.6	Very low	49	Very low	141 Å²	141	106.1 Å²	106.1	74%	0.738	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-9.1	173	-78.6	165.2	0	0	0	114	M133 F134 E135	M133-L137 WeakPolarHBondContact O-CG 3.17Å; M133-L137 PolarHBondContact O-N 3.42Å; F134-L137 HydrophobicContact CD1-CD1 4.41Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 3.29Å
138	S	47.6	Very low	48.6	Very low	102 Å²	102	104.6 Å²	104.6	71%	0.713	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-15.9	176.2	-55.6	0	0	0	0	114.2	E135 R136	E135-S138 WeakPolarHBondContact O-CB 3.48Å; E135-S138 PolarHBondContact O-N 2.92Å; R136-S138 PolarHBondContact O-N 3.39Å; R136-S138 VanDerWaalsContact O-N 3.11Å
139	T	45.7	Very low	48.3	Very low	103 Å²	103	101.7 Å²	101.7	63%	0.632	53%	0.53	S	S	*	.	S	Bend	trans	-146.8	115.7	-174.6	55.2	0	0	0	0	112.9	R136	R136-T139 PolarHBondContact O-N 3.3Å
140	E	39.2	Very low	48.8	Very low	189 Å²	189	102 Å²	102	88%	0.883	53%	0.531	S	S	*	.			trans	70.4	145.9	172	-55	-165.7	142.5	0	0	117.9	V142	E140-V142 PolarHBondContact O-N 3.01Å
141	S	47.2	Very low	49.3	Very low	120 Å²	120	100.3 Å²	100.3	84%	0.839	52%	0.523	S	S	*	.			trans	-86.8	97.7	-173.7	56.5	0	0	0	0	112
142	V	40	Very low	50.2	Low	125 Å²	125	100.4 Å²	100.4	76%	0.758	52%	0.517	S	S	*	.			trans	-100.8	109.5	168.5	-177.1	0	0	0	0	109.9	E140 D144	E140-V142 PolarHBondContact O-N 3.01Å; V142-D144 VanDerWaalsContact C-N 3.28Å; V142-D144 PolarHBondContact O-N 3.5Å
143	Q	42.9	Very low	51.4	Low	180 Å²	180	98.3 Å²	98.3	84%	0.841	50%	0.503	S	S	*	.			trans	-77.3	73.3	169.5	-67	177.5	-60.4	0	0	110.6
144	D	39.7	Very low	52.7	Low	118 Å²	118	97.6 Å²	97.6	63%	0.631	50%	0.504	S	S	*	.			trans	-157.6	127.2	159.1	-112.8	-37.8	0	0	0	115	V142	V142-D144 VanDerWaalsContact C-N 3.28Å; V142-D144 PolarHBondContact O-N 3.5Å
145	Q	47.4	Very low	54	Low	143 Å²	143	91.5 Å²	91.5	67%	0.668	48%	0.478	S	S	*	.			trans	36.1	95.2	153.4	-63.1	172.5	49.6	0	0	119.9	M133	M133-Q145 WeakPolarHBondContact CE-O 3.47Å
146	L	46.3	Very low	55.2	Low	80 Å²	80	87.7 Å²	87.7	42%	0.419	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-59.6	132.8	136.8	-84.5	155.1	0	0	0	108.3	M133 P239	M133-L146 HydrophobicContact SD-CD2 3.61Å; M133-L146 HydrophobicContact SD-CG 4.29Å; L146-P239 HydrophobicContact CB-CB 3.55Å; L146-P239 WeakPolarHBondContact O-CB 3.17Å
147	P	49.2	Very low	56.6	Low	24 Å²	24	81.2 Å²	81.2	16%	0.156	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-78.3	140.7	-178.7	31.2	-34.7	0	0	0	111.9	V114 Q115 V129 S149	V114-P147 HydrophobicContact CG1-CB 3.94Å; V114-P147 HydrophobicContact CG1-CG 4.15Å; Q115-P147 HydrophobicContact CG-CB 4.42Å; V129-P147 HydrophobicContact CG1-CG 3.84Å; P147-S149 PolarHBondContact O-N 3.03Å
148	Y	56	Low	57.7	Low	99 Å²	99	76.4 Å²	76.4	39%	0.388	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-54.8	130.9	161.5	-74.5	-86.3	0	0	0	109.8	Q115 D238 P239	Q115-Y148 PolarHBondContact N-O 2.81Å; Y148-D238 PolarHBondContact OH-OD1 3.4Å; Y148-P239 HydrophobicContact CD1-CG 4.3Å; Y148-P239 HydrophobicContact CD2-CG 4.09Å; Y148-P239 VanDerWaalsContact CE1-CD 3.41Å; Y148-P239 HydrophobicContact CE1-CG 4.07Å; Y148-P239 HydrophobicContact CE2-CG 3.84Å; Y148-P239 HydrophobicContact CG-CG 4.29Å
149	S	55.8	Low	58.1	Low	9 Å²	9	78.7 Å²	78.7	6%	0.063	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.2	177.5	59	0	0	0	0	111.1	L113 P147 H237	L113-S149 WeakPolarHBondContact O-CA 3.4Å; P147-S149 PolarHBondContact O-N 3.03Å; S149-H237 PolarHBondContact O-N 3.12Å; S149-H237 PolarHBondContact OG-CD2 2.9Å
150	V	69.8	Low	58.8	Low	24 Å²	24	80.5 Å²	80.5	15%	0.145	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.7	172.2	-177.1	0	0	0	0	108.5	A112 L113 L205 L234 I235 E236	A112-V150 WeakPolarHBondContact CA-O 3.37Å; L113-V150 PolarHBondContact N-O 3.43Å; L113-V150 VanDerWaalsContact N-O 3.07Å; L113-V150 PolarHBondContact O-N 3Å; V150-L205 HydrophobicContact CG1-CD1 4.13Å; V150-L205 HydrophobicContact CG2-CD1 4.42Å; V150-L234 HydrophobicContact CG1-CD1 3.8Å; V150-L234 HydrophobicContact CG1-CD2 4.17Å; V150-L234 HydrophobicContact CG1-CG 3.74Å; V150-I235 CarbonylContact C-O 3.55Å; V150-I235 VanDerWaalsContact CA-O 3.25Å; V150-I235 WeakPolarHBondContact CA-O 3.49Å; V150-E236 HydrophobicContact CG2-CB 4.25Å; V150-E236 HydrophobicContact CG2-CG 4.4Å
151	T	68.6	Low	59.7	Low	14 Å²	14	73.9 Å²	73.9	9%	0.086	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.8	-174.9	62.9	0	0	0	0	111.8	Y111 A112 L234 I235 H237	Y111-T151 WeakPolarHBondContact O-CA 3.4Å; A112-T151 HydrophobicContact CB-CG2 4.09Å; T151-L234 WeakPolarHBondContact O-CA 3.45Å; T151-I235 PolarHBondContact N-O 2.87Å; T151-I235 PolarHBondContact O-N 2.81Å; T151-H237 WeakPolarHBondContact CG2-NE2 3.41Å; T151-H237 PolarHBondContact OG1-NE2 2.94Å
152	L	73.6	Confident	60.6	Low	45 Å²	45	77.3 Å²	77.3	24%	0.236	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.4	171.8	-177.3	67.5	0	0	0	109.9	Y111 L234	Y111-L152 HydrophobicContact CE1-CB 4.25Å; Y111-L152 HydrophobicContact CE1-CD2 4.43Å; L152-L234 HydrophobicContact CB-CD1 4.08Å; L152-L234 HydrophobicContact CD1-CB 4.41Å; L152-L234 HydrophobicContact CD1-CD1 4.19Å
153	I	78.3	Confident	62.1	Low	9 Å²	9	72 Å²	72	5%	0.046	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.9	-172.4	-53.4	171.9	0	0	0	109.8	M155 A197 I198 Q232 L233 I235	I153-M155 HydrophobicContact CG2-CG 4.41Å; I153-A197 HydrophobicContact CD1-CB 3.78Å; I153-A197 WeakPolarHBondContact CD1-O 3.33Å; I153-A197 HydrophobicContact CG1-CB 4.19Å; I153-I198 HydrophobicContact CD1-CD1 4.37Å; I153-I198 HydrophobicContact CD1-CG1 3.63Å; I153-I198 HydrophobicContact CG2-CD1 4.47Å; I153-Q232 WeakPolarHBondContact O-CA 3.47Å; I153-L233 PolarHBondContact N-O 3.15Å; I153-L233 PolarHBondContact O-N 2.66Å; I153-I235 HydrophobicContact CD1-CB 4.47Å; I153-I235 HydrophobicContact CD1-CD1 3.77Å; I153-I235 HydrophobicContact CD1-CG1 4.15Å
154	S	76.5	Confident	63.4	Low	43 Å²	43	63.8 Å²	63.8	30%	0.301	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.5	172.2	-65.4	0	0	0	0	110.9	N194 Q232	S154-N194 PolarHBondContact O-ND2 2.9Å; S154-Q232 PolarHBondContact OG-NE2 2.69Å; S154-Q232 VanDerWaalsContact OG-NE2 3.16Å
155	M	74.8	Confident	65.4	Low	11 Å²	11	59.2 Å²	59.2	5%	0.054	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.6	174.6	-72.3	175.8	-75.6	0	0	110.1	I153 F165 N194 I198 T230 L231 L233	I153-M155 HydrophobicContact CG2-CG 4.41Å; M155-F165 HydrophobicContact CE-CE1 3.59Å; M155-F165 HydrophobicContact CE-CZ 3.91Å; M155-F165 HydrophobicContact SD-CD1 4.27Å; M155-F165 HydrophobicContact SD-CE1 3.7Å; M155-N194 WeakPolarHBondContact CG-ND2 3.38Å; M155-I198 HydrophobicContact CE-CD1 4.14Å; M155-I198 HydrophobicContact SD-CD1 3.92Å; M155-T230 CarbonylContact O-C 3.57Å; M155-T230 WeakPolarHBondContact O-CA 3.3Å; M155-T230 WeakPolarHBondContact O-CG2 3.45Å; M155-L231 HydrophobicContact CE-CB 4.45Å; M155-L231 HydrophobicContact CE-CD2 3.87Å; M155-L231 HydrophobicContact CE-CG 4.11Å; M155-L231 PolarHBondContact N-O 2.86Å; M155-L231 PolarHBondContact O-N 3.15Å; M155-L233 HydrophobicContact CE-CD1 3.44Å; M155-L233 VanDerWaalsContact CE-CD1 3.44Å; M155-L233 HydrophobicContact CE-CG 3.91Å
156	P	71.3	Confident	67	Low	73 Å²	73	54.2 Å²	54.2	47%	0.474	30%	0.303	S	S	.	.			trans	-64.6	169.8	178.7	28.5	-35.4	0	0	0	112.3	R163	P156-R163 PolarHBondContact O-NH1 2.9Å
157	A	73.7	Confident	68.8	Low	54 Å²	54	51.6 Å²	51.6	45%	0.446	29%	0.291	S	S	.	.			trans	-60	142.7	172.3	0	0	0	0	0	111.6	T227 Q229	A157-T227 CarbonylContact C-O 3.52Å; A157-T227 WeakPolarHBondContact CA-O 3.4Å; A157-T227 WeakPolarHBondContact CB-O 3.37Å; A157-Q229 VanDerWaalsContact CA-O 3.25Å; A157-Q229 WeakPolarHBondContact CA-O 3.43Å; A157-Q229 PolarHBondContact N-O 3.2Å
158	T	67.4	Low	70.3	Confident	40 Å²	40	52.7 Å²	52.7	25%	0.245	30%	0.298	C	S	.	.			trans	-122.7	130.4	179.2	66	0	0	0	0	111.7	E160 R162 T227	T158-E160 VanDerWaalsContact C-N 3.28Å; T158-R162 PolarHBondContact OG1-O 2.68Å; T158-T227 PolarHBondContact N-O 3.21Å; T158-T227 VanDerWaalsContact O-CB 3.31Å; T158-T227 WeakPolarHBondContact O-CB 3.45Å; T158-T227 PolarHBondContact O-OG1 3.1Å; T158-T227 WeakPolarHBondContact OG1-CB 3.42Å
159	T	56.4	Low	71.6	Confident	150 Å²	150	49.5 Å²	49.5	92%	0.92	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.1	175.4	46.8	0	0	0	0	113.1	G161	T159-G161 PolarHBondContact O-N 3.36Å
160	E	60.4	Low	72.7	Confident	141 Å²	141	54.3 Å²	54.3	66%	0.659	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	1.8	-179.8	-58.8	-175.1	167.1	0	0	113.4	T158 R162	T158-E160 VanDerWaalsContact C-N 3.28Å; E160-R162 PolarHBondContact O-N 2.88Å; E160-R162 VanDerWaalsContact O-N 3.09Å
161	G	59.3	Low	72.9	Confident	49 Å²	49	56.2 Å²	56.2	51%	0.505	33%	0.325	S	S	.	.	S	Bend	trans	68.6	6.6	173.5	0	0	0	0	0	115.6	T159 T227	T159-G161 PolarHBondContact O-N 3.36Å; G161-T227 VanDerWaalsContact C-CG2 3.45Å
162	R	65.7	Low	72	Confident	193 Å²	193	58.9 Å²	58.9	73%	0.728	35%	0.349	S	S	*	.			trans	-140.7	158	171.6	-60.4	-174.5	-179.2	-175	-0.9	110.5	T158 E160	T158-R162 PolarHBondContact OG1-O 2.68Å; E160-R162 PolarHBondContact O-N 2.88Å; E160-R162 VanDerWaalsContact O-N 3.09Å
163	R	71.4	Confident	71.1	Confident	13 Å²	13	63.4 Å²	63.4	5%	0.049	38%	0.382	C	S	.	.			trans	-105.2	0.7	177.1	-61.9	-168.4	175.1	-83.3	6.6	114.9	P156 F165 I224 Q226 T227 Q229 L231	P156-R163 PolarHBondContact O-NH1 2.9Å; R163-F165 HydrophobicContact CB-CD1 4.18Å; R163-F165 HydrophobicContact CB-CE1 3.81Å; R163-F165 PolarHBondContact O-N 2.66Å; R163-I224 WeakPolarHBondContact CD-O 3.43Å; R163-Q226 PolarHBondContact NE-O 3.18Å; R163-Q226 PolarHBondContact NH2-O 2.83Å; R163-T227 HydrophobicContact CG-CG2 4.08Å; R163-Q229 PolarHBondContact NH2-O 2.77Å; R163-L231 VanDerWaalsContact CD-CD2 3.48Å
164	G	70.9	Confident	70.3	Confident	8 Å²	8	65.4 Å²	65.4	8%	0.082	40%	0.397	C	S	.	.	S	Bend	trans	82.7	3.4	173.9	0	0	0	0	0	116.7	N186	G164-N186 CarbonylContact O-C 3.6Å; G164-N186 WeakPolarHBondContact O-CA 3.34Å; G164-N186 PolarHBondContact O-N 3.05Å
165	F	80.9	Confident	69.9	Low	21 Å²	21	69.3 Å²	69.3	9%	0.092	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	168	171.5	71.4	-76.8	0	0	0	111	M155 R163 V167 E184 V185 I198 I224 L231 L233	M155-F165 HydrophobicContact CE-CE1 3.59Å; M155-F165 HydrophobicContact CE-CZ 3.91Å; M155-F165 HydrophobicContact SD-CD1 4.27Å; M155-F165 HydrophobicContact SD-CE1 3.7Å; R163-F165 HydrophobicContact CB-CD1 4.18Å; R163-F165 HydrophobicContact CB-CE1 3.81Å; R163-F165 PolarHBondContact O-N 2.66Å; F165-V167 HydrophobicContact CD2-CG1 4.35Å; F165-V167 HydrophobicContact CE2-CG1 4.12Å; F165-E184 CarbonylContact C-O 3.59Å; F165-E184 WeakPolarHBondContact CA-O 3.46Å; F165-E184 WeakPolarHBondContact CB-O 3.33Å; F165-V185 HydrophobicContact CB-CG2 4.3Å; F165-I198 HydrophobicContact CD1-CD1 4.43Å; F165-I224 HydrophobicContact CE2-CD1 4.42Å; F165-I224 HydrophobicContact CE2-CG1 4.5Å; F165-I224 HydrophobicContact CE2-CG2 3.94Å; F165-I224 HydrophobicContact CZ-CG1 4.43Å; F165-I224 HydrophobicContact CZ-CG2 3.85Å; F165-L231 HydrophobicContact CZ-CD2 4.18Å; F165-L233 HydrophobicContact CE2-CD1 4.12Å; F165-L233 HydrophobicContact CZ-CD1 3.76Å
166	S	80.1	Confident	69.8	Low	39 Å²	39	73.6 Å²	73.6	27%	0.273	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.7	171.8	69.1	0	0	0	0	110.7	K183 E184	S166-K183 PolarHBondContact O-N 2.92Å; S166-E184 PolarHBondContact N-O 3.33Å; S166-E184 WeakPolarHBondContact OG-CB 3.46Å; S166-E184 PolarHBondContact OG-N 3.11Å
167	V	85.2	Confident	70	Confident	25 Å²	25	70.2 Å²	70.2	15%	0.152	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	162.3	178.8	-65.4	0	0	0	0	112.3	F165 V169 V180 Q181 I204 V220 I224	F165-V167 HydrophobicContact CD2-CG1 4.35Å; F165-V167 HydrophobicContact CE2-CG1 4.12Å; V167-V169 HydrophobicContact CG2-CG2 4.23Å; V167-V180 HydrophobicContact CB-CG1 4.03Å; V167-V180 HydrophobicContact CG1-CG1 4.05Å; V167-V180 HydrophobicContact CG2-CG1 4.36Å; V167-Q181 CarbonylContact C-O 3.54Å; V167-Q181 WeakPolarHBondContact CA-O 3.48Å; V167-Q181 VanDerWaalsContact CB-O 3.25Å; V167-Q181 WeakPolarHBondContact CB-O 3.25Å; V167-I204 HydrophobicContact CG1-CD1 3.71Å; V167-V220 HydrophobicContact CG2-CG1 4.45Å; V167-I224 HydrophobicContact CB-CD1 4.21Å; V167-I224 HydrophobicContact CG1-CD1 3.63Å; V167-I224 HydrophobicContact CG2-CD1 3.5Å
168	S	81.1	Confident	69.9	Low	46 Å²	46	70.9 Å²	70.9	32%	0.322	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.1	160.3	44.8	0	0	0	0	108.6	Q181	S168-Q181 PolarHBondContact N-O 2.98Å; S168-Q181 PolarHBondContact O-N 2.88Å
169	V	82.6	Confident	70.3	Confident	33 Å²	33	70.1 Å²	70.1	20%	0.2	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.4	177.7	-174.8	0	0	0	0	108.8	V167 A177 V180 V217 V220	V167-V169 HydrophobicContact CG2-CG2 4.23Å; V169-A177 HydrophobicContact CG1-CB 3.5Å; V169-V180 HydrophobicContact CG1-CG2 4.25Å; V169-V180 HydrophobicContact CG2-CG1 4.4Å; V169-V180 HydrophobicContact CG2-CG2 4.25Å; V169-V217 HydrophobicContact CB-CG1 4.09Å; V169-V217 HydrophobicContact CG1-CB 4.39Å; V169-V217 HydrophobicContact CG1-CG1 4.08Å; V169-V217 HydrophobicContact CG1-CG2 3.96Å; V169-V217 HydrophobicContact CG2-CG1 4.48Å; V169-V220 HydrophobicContact CG2-CB 4.38Å; V169-V220 HydrophobicContact CG2-CG1 3.78Å
170	E	78.5	Confident	71.6	Confident	109 Å²	109	63.1 Å²	63.1	51%	0.509	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	142.4	172.9	-63.1	179.6	126.5	0	0	110.3	T178 T179	E170-T178 WeakPolarHBondContact O-CB 3.26Å; E170-T178 PolarHBondContact O-N 3Å; E170-T179 WeakPolarHBondContact CB-OG1 3.45Å; E170-T179 PolarHBondContact N-O 3.07Å; E170-T179 PolarHBondContact O-N 3.49Å; E170-T179 WeakPolarHBondContact OE2-CB 3.42Å; E170-T179 PolarHBondContact OE2-OG1 2.9Å
171	S	73.6	Confident	72.7	Confident	65 Å²	65	59.5 Å²	59.5	46%	0.455	34%	0.343	S	S	.	.			trans	-130.6	120.2	178.1	158.9	0	0	0	0	110.1	C173 S174	S171-C173 PolarHBondContact O-N 2.92Å; S171-S174 PolarHBondContact OG-O 2.9Å
172	A	51.3	Low	73.7	Confident	69 Å²	69	57.3 Å²	57.3	57%	0.57	32%	0.32	S	S	*	.	S	Bend	trans	-87.3	80.6	170.8	0	0	0	0	0	110.4	S174 T178	A172-S174 PolarHBondContact O-N 3.22Å; A172-T178 HydrophobicContact CB-CG2 4.15Å; A172-T178 PolarHBondContact N-OG1 3.44Å
173	C	54.1	Low	74.2	Confident	140 Å²	140	53.7 Å²	53.7	95%	0.946	31%	0.309	S	S	*	.	S	Bend	trans	52.8	28.6	174.2	-70.2	0	0	0	0	116.2	S171	S171-C173 PolarHBondContact O-N 2.92Å
174	S	60.4	Low	74.4	Confident	51 Å²	51	58.3 Å²	58.3	36%	0.357	33%	0.332	S	S	.	.	S	Bend	trans	-147.9	153.5	173.6	68	0	0	0	0	111.1	S171 A172 Y176	S171-S174 PolarHBondContact OG-O 2.9Å; A172-S174 PolarHBondContact O-N 3.22Å; S174-Y176 PolarHBondContact O-N 2.72Å
175	N	68.8	Low	74.7	Confident	125 Å²	125	59.3 Å²	59.3	67%	0.668	34%	0.336	S	S	*	.	S	Bend	trans	-69	2.6	-174.1	-64.1	28.3	0	0	0	114.4	R216 V217	N175-R216 VanDerWaalsContact O-CA 3.27Å; N175-R216 WeakPolarHBondContact O-CA 3.4Å; N175-V217 PolarHBondContact O-N 3.24Å
176	Y	72.9	Confident	74.2	Confident	102 Å²	102	62.1 Å²	62.1	40%	0.4	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-93.4	142.8	177.8	-62.6	-79.8	0	0	0	111.6	S174 T178 L215 R216	S174-Y176 PolarHBondContact O-N 2.72Å; Y176-T178 PolarHBondContact O-N 2.9Å; Y176-L215 CarbonylContact C-O 3.53Å; Y176-L215 WeakPolarHBondContact CA-O 3.35Å; Y176-R216 HydrophobicContact CD1-CG 4.08Å; Y176-R216 HydrophobicContact CE1-CG 3.94Å
177	A	74.8	Confident	73.6	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.008	36%	0.362	C	S	.	.			trans	-65.7	117	175.3	0	0	0	0	0	109.8	V169 V180 R213 L215 V220	V169-A177 HydrophobicContact CG1-CB 3.5Å; A177-V180 HydrophobicContact CB-CG2 3.96Å; A177-R213 WeakPolarHBondContact O-CA 3.33Å; A177-L215 PolarHBondContact N-O 3.4Å; A177-V220 HydrophobicContact CB-CG2 4.08Å
178	T	71.9	Confident	72.4	Confident	69 Å²	69	71.6 Å²	71.6	42%	0.423	39%	0.386	S	S	.	.	S	Bend	trans	-84.2	-39.9	178	-51.9	0	0	0	0	110.7	E170 A172 Y176	E170-T178 WeakPolarHBondContact O-CB 3.26Å; E170-T178 PolarHBondContact O-N 3Å; A172-T178 HydrophobicContact CB-CG2 4.15Å; A172-T178 PolarHBondContact N-OG1 3.44Å; Y176-T178 PolarHBondContact O-N 2.9Å
179	T	77.1	Confident	71.5	Confident	24 Å²	24	73.5 Å²	73.5	15%	0.147	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	140	176.1	8.9	0	0	0	0	109.1	E170 R203	E170-T179 WeakPolarHBondContact CB-OG1 3.45Å; E170-T179 PolarHBondContact N-O 3.07Å; E170-T179 PolarHBondContact O-N 3.49Å; E170-T179 WeakPolarHBondContact OE2-CB 3.42Å; E170-T179 PolarHBondContact OE2-OG1 2.9Å; T179-R203 VanDerWaalsContact CG2-NH2 3.27Å
180	V	82.2	Confident	70.6	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.012	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.5	173.8	-177.8	0	0	0	0	107.8	V167 V169 A177 R203 I204 V212 V220	V167-V180 HydrophobicContact CB-CG1 4.03Å; V167-V180 HydrophobicContact CG1-CG1 4.05Å; V167-V180 HydrophobicContact CG2-CG1 4.36Å; V169-V180 HydrophobicContact CG1-CG2 4.25Å; V169-V180 HydrophobicContact CG2-CG1 4.4Å; V169-V180 HydrophobicContact CG2-CG2 4.25Å; A177-V180 HydrophobicContact CB-CG2 3.96Å; V180-R203 WeakPolarHBondContact O-CA 3.35Å; V180-I204 HydrophobicContact CB-CB 4.15Å; V180-I204 HydrophobicContact CG1-CB 4.02Å; V180-I204 HydrophobicContact CG1-CD1 4.02Å; V180-I204 HydrophobicContact CG1-CG1 4.27Å; V180-I204 PolarHBondContact O-N 3.49Å; V180-V212 HydrophobicContact CB-CG1 4.25Å; V180-V212 HydrophobicContact CG2-CB 3.79Å; V180-V212 HydrophobicContact CG2-CG1 3.85Å; V180-V212 HydrophobicContact CG2-CG2 4.18Å; V180-V220 HydrophobicContact CG1-CG1 4.13Å; V180-V220 HydrophobicContact CG2-CG1 4.13Å; V180-V220 HydrophobicContact CG2-CG2 4.36Å
181	Q	83.4	Confident	69.8	Low	66 Å²	66	69.1 Å²	69.1	31%	0.308	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.7	178.3	-80.6	176.3	-6.7	0	0	111.1	V167 S168 K183 D202 R203	V167-Q181 CarbonylContact C-O 3.54Å; V167-Q181 WeakPolarHBondContact CA-O 3.48Å; V167-Q181 VanDerWaalsContact CB-O 3.25Å; V167-Q181 WeakPolarHBondContact CB-O 3.25Å; S168-Q181 PolarHBondContact N-O 2.98Å; S168-Q181 PolarHBondContact O-N 2.88Å; Q181-K183 PolarHBondContact O-N 3.25Å; Q181-D202 CarbonylContact C-O 3.59Å; Q181-D202 VanDerWaalsContact CA-O 3.26Å; Q181-D202 WeakPolarHBondContact CA-O 3.41Å; Q181-R203 HydrophobicContact CG-CG 3.92Å
182	V	81.3	Confident	68.9	Low	2 Å²	2	71 Å²	71	1%	0.012	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.8	171.8	179.7	0	0	0	0	109	V185 I198 H199 G201 D202 I204	V182-V185 HydrophobicContact CG1-CG2 3.44Å; V182-V185 VanDerWaalsContact CG1-CG2 3.44Å; V182-I198 HydrophobicContact CG1-CG2 3.84Å; V182-I198 HydrophobicContact CG2-CG2 4Å; V182-H199 WeakPolarHBondContact CB-O 3.48Å; V182-H199 WeakPolarHBondContact CG1-O 3.34Å; V182-G201 PolarHBondContact O-N 2.99Å; V182-D202 HydrophobicContact CB-CB 4.21Å; V182-D202 HydrophobicContact CG2-CB 3.96Å; V182-D202 PolarHBondContact N-O 2.94Å; V182-I204 HydrophobicContact CG2-CD1 4.12Å; V182-I204 HydrophobicContact CG2-CG1 4.12Å
183	K	76.4	Confident	69.1	Low	117 Å²	117	74.9 Å²	74.9	51%	0.509	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-50.2	-172.5	-173.9	-166.4	169.7	-158.8	0	112.5	S166 Q181	S166-K183 PolarHBondContact O-N 2.92Å; Q181-K183 PolarHBondContact O-N 3.25Å
184	E	75.6	Confident	69.3	Low	111 Å²	111	69.3 Å²	69.3	52%	0.519	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.6	-179.7	-65.9	158.3	-136.6	0	0	110.1	F165 S166	F165-E184 CarbonylContact C-O 3.59Å; F165-E184 WeakPolarHBondContact CA-O 3.46Å; F165-E184 WeakPolarHBondContact CB-O 3.33Å; S166-E184 PolarHBondContact N-O 3.33Å; S166-E184 WeakPolarHBondContact OG-CB 3.46Å; S166-E184 PolarHBondContact OG-N 3.11Å
185	V	75.8	Confident	69.3	Low	28 Å²	28	70.9 Å²	70.9	17%	0.17	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	102	-178.1	-176.3	0	0	0	0	110.6	F165 V182 R187 I190 I198 P200	F165-V185 HydrophobicContact CB-CG2 4.3Å; V182-V185 HydrophobicContact CG1-CG2 3.44Å; V182-V185 VanDerWaalsContact CG1-CG2 3.44Å; V185-R187 HydrophobicContact CG1-CG 4.2Å; V185-R187 PolarHBondContact O-N 2.93Å; V185-I190 HydrophobicContact CG1-CD1 3.53Å; V185-I198 HydrophobicContact CG2-CG2 4.02Å; V185-P200 HydrophobicContact CB-CG 4.32Å; V185-P200 HydrophobicContact CG2-CG 4.01Å
186	N	71.7	Confident	68.9	Low	81 Å²	81	70.4 Å²	70.4	43%	0.433	35%	0.351	S	S	.	.			trans	-89.4	91.4	171.9	-174.4	-17.2	0	0	0	110.5	G164 M188 H189	G164-N186 CarbonylContact O-C 3.6Å; G164-N186 WeakPolarHBondContact O-CA 3.34Å; G164-N186 PolarHBondContact O-N 3.05Å; N186-M188 PolarHBondContact O-N 2.99Å; N186-M188 WeakPolarHBondContact OD1-CB 3.43Å; N186-M188 PolarHBondContact OD1-N 3.47Å; N186-M188 VanDerWaalsContact OD1-N 3.17Å; N186-H189 PolarHBondContact ND2-CE1 3.29Å; N186-H189 PolarHBondContact ND2-ND1 3.13Å; N186-H189 PolarHBondContact O-N 2.88Å
187	R	67.3	Low	68.4	Low	125 Å²	125	67 Å²	67	47%	0.472	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-57.3	-16.7	-177.4	-55.8	-173.7	-170	-166.3	3.1	114.7	V185 R195	V185-R187 HydrophobicContact CG1-CG 4.2Å; V185-R187 PolarHBondContact O-N 2.93Å; R187-R195 HydrophobicContact CB-CG 4.48Å; R187-R195 PolarHBondContact O-NE 3.01Å; R187-R195 PolarHBondContact O-NH2 2.95Å
188	M	60.1	Low	68.2	Low	137 Å²	137	67 Å²	67	68%	0.675	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-67	-40.7	177.8	-65.8	-60.5	-72.1	0	0	112.1	N186 I190 R195	N186-M188 PolarHBondContact O-N 2.99Å; N186-M188 WeakPolarHBondContact OD1-CB 3.43Å; N186-M188 PolarHBondContact OD1-N 3.47Å; N186-M188 VanDerWaalsContact OD1-N 3.17Å; M188-I190 VanDerWaalsContact C-N 3.33Å; M188-R195 PolarHBondContact O-NH2 3.19Å
189	H	60.9	Low	68.2	Low	86 Å²	86	65.8 Å²	65.8	40%	0.398	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-91	10.3	-178.8	-49.6	129.6	0	0	0	113.6	N186	N186-H189 PolarHBondContact ND2-CE1 3.29Å; N186-H189 PolarHBondContact ND2-ND1 3.13Å; N186-H189 PolarHBondContact O-N 2.88Å
190	I	65.1	Low	67.9	Low	8 Å²	8	67.4 Å²	67.4	4%	0.041	34%	0.343	C	S	.	.	S	Bend	trans	-102.5	138	174.8	-61.5	178.8	0	0	0	108.6	V185 M188 N194 R195	V185-I190 HydrophobicContact CG1-CD1 3.53Å; M188-I190 VanDerWaalsContact C-N 3.33Å; I190-N194 HydrophobicContact CG2-CB 3.81Å; I190-R195 HydrophobicContact CB-CG 4.15Å; I190-R195 HydrophobicContact CG2-CG 4.17Å; I190-R195 WeakPolarHBondContact O-CG 3.44Å; I190-R195 PolarHBondContact O-NE 3.36Å
191	S	60.3	Low	67.2	Low	43 Å²	43	68.4 Å²	68.4	30%	0.301	35%	0.354	S	S	.	.			trans	-56.5	143.9	-179.8	75.7	0	0	0	0	110.9	N193 N194 R195	S191-N193 PolarHBondContact O-N 2.89Å; S191-N194 PolarHBondContact O-N 2.85Å; S191-N194 PolarHBondContact OG-OD1 2.9Å; S191-R195 WeakPolarHBondContact O-CG 3.16Å; S191-R195 PolarHBondContact O-N 3.49Å
192	P	56.3	Low	66.9	Low	105 Å²	105	65.3 Å²	65.3	68%	0.682	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.2	-175	-30.2	36.6	0	0	0	114.7
193	N	54.2	Low	66.8	Low	150 Å²	150	69.4 Å²	69.4	80%	0.802	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-28.2	179.5	-60.2	-1.5	0	0	0	113.2	S191	S191-N193 PolarHBondContact O-N 2.89Å
194	N	58.3	Low	67.1	Low	22 Å²	22	64 Å²	64	12%	0.118	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-5.6	-172	-61.6	22	0	0	0	112.8	S154 M155 I190 S191 N196 A197	S154-N194 PolarHBondContact O-ND2 2.9Å; M155-N194 WeakPolarHBondContact CG-ND2 3.38Å; I190-N194 HydrophobicContact CG2-CB 3.81Å; S191-N194 PolarHBondContact O-N 2.85Å; S191-N194 PolarHBondContact OG-OD1 2.9Å; N194-N196 PolarHBondContact O-N 3.45Å; N194-A197 PolarHBondContact O-N 2.98Å
195	R	60.5	Low	67.3	Low	84 Å²	84	61.4 Å²	61.4	32%	0.317	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-22.4	-175.2	-82.3	177.7	-178.6	-163.7	-11.1	115.9	R187 M188 I190 S191	R187-R195 HydrophobicContact CB-CG 4.48Å; R187-R195 PolarHBondContact O-NE 3.01Å; R187-R195 PolarHBondContact O-NH2 2.95Å; M188-R195 PolarHBondContact O-NH2 3.19Å; I190-R195 HydrophobicContact CB-CG 4.15Å; I190-R195 HydrophobicContact CG2-CG 4.17Å; I190-R195 WeakPolarHBondContact O-CG 3.44Å; I190-R195 PolarHBondContact O-NE 3.36Å; S191-R195 WeakPolarHBondContact O-CG 3.16Å; S191-R195 PolarHBondContact O-N 3.49Å
196	N	60.2	Low	67.8	Low	116 Å²	116	63.3 Å²	63.3	62%	0.62	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	9.3	179.7	-66	-4.3	0	0	0	112.7	N194	N194-N196 PolarHBondContact O-N 3.45Å
197	A	62.7	Low	68.2	Low	29 Å²	29	59.6 Å²	59.6	24%	0.24	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-11.7	-177.6	0	0	0	0	0	113.6	I153 N194 H237	I153-A197 HydrophobicContact CD1-CB 3.78Å; I153-A197 WeakPolarHBondContact CD1-O 3.33Å; I153-A197 HydrophobicContact CG1-CB 4.19Å; N194-A197 PolarHBondContact O-N 2.98Å; A197-H237 PolarHBondContact O-CE1 2.89Å
198	I	71.1	Confident	68.8	Low	1 Å²	1	57 Å²	57	1%	0.005	30%	0.304	C	S	.	.			trans	-128.6	131	-179.4	-55	-179.9	0	0	0	109.1	I153 M155 F165 V182 V185 I235	I153-I198 HydrophobicContact CD1-CD1 4.37Å; I153-I198 HydrophobicContact CD1-CG1 3.63Å; I153-I198 HydrophobicContact CG2-CD1 4.47Å; M155-I198 HydrophobicContact CE-CD1 4.14Å; M155-I198 HydrophobicContact SD-CD1 3.92Å; F165-I198 HydrophobicContact CD1-CD1 4.43Å; V182-I198 HydrophobicContact CG1-CG2 3.84Å; V182-I198 HydrophobicContact CG2-CG2 4Å; V185-I198 HydrophobicContact CG2-CG2 4.02Å; I198-I235 HydrophobicContact CG1-CD1 4.17Å
199	H	71	Confident	69.2	Low	45 Å²	45	53.3 Å²	53.3	21%	0.208	30%	0.3	C	S	.	.			trans	-132.6	149.7	-178.5	-60.3	-25.1	0	0	0	111.5	V182 D202	V182-H199 WeakPolarHBondContact CB-O 3.48Å; V182-H199 WeakPolarHBondContact CG1-O 3.34Å; H199-D202 WeakPolarHBondContact CA-OD2 3.47Å; H199-D202 PolarHBondContact N-OD2 3.17Å; H199-D202 WeakPolarHBondContact O-CB 3.27Å; H199-D202 VanDerWaalsContact O-CG 3.25Å; H199-D202 PolarHBondContact O-N 3.44Å
200	P	71.4	Confident	70.1	Confident	57 Å²	57	51.9 Å²	51.9	37%	0.37	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	138	167.6	-20.1	32.8	0	0	0	110.7	V185	V185-P200 HydrophobicContact CB-CG 4.32Å; V185-P200 HydrophobicContact CG2-CG 4.01Å
201	G	68.6	Low	70.8	Confident	23 Å²	23	53.3 Å²	53.3	24%	0.237	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-13.5	-176.6	0	0	0	0	0	115.3	V182	V182-G201 PolarHBondContact O-N 2.99Å
202	D	76.9	Confident	71.8	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.011	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-61	141.7	174.5	-75.1	-16.5	0	0	0	111.8	Q181 V182 H199 I235 H237	Q181-D202 CarbonylContact C-O 3.59Å; Q181-D202 VanDerWaalsContact CA-O 3.26Å; Q181-D202 WeakPolarHBondContact CA-O 3.41Å; V182-D202 HydrophobicContact CB-CB 4.21Å; V182-D202 HydrophobicContact CG2-CB 3.96Å; V182-D202 PolarHBondContact N-O 2.94Å; H199-D202 WeakPolarHBondContact CA-OD2 3.47Å; H199-D202 PolarHBondContact N-OD2 3.17Å; H199-D202 WeakPolarHBondContact O-CB 3.27Å; H199-D202 VanDerWaalsContact O-CG 3.25Å; H199-D202 PolarHBondContact O-N 3.44Å; D202-I235 HydrophobicContact CB-CG2 3.57Å; D202-H237 IonicContact OD1-CE1 3.57Å; D202-H237 IonicContact OD1-CG 3.28Å; D202-H237 IonicContact OD1-ND1 3.79Å; D202-H237 PolarHBondContact OD1-ND1 2.88Å; D202-H237 IonicContact OD2-CE1 3.99Å; D202-H237 PolarHBondContact OD2-CE1 2.85Å; D202-H237 VanDerWaalsContact OD2-CE1 3.28Å; D202-H237 IonicContact OD2-ND1 2.66Å; D202-H237 PolarHBondContact OD2-ND1 2.82Å; D202-H237 VanDerWaalsContact OD2-ND1 3.15Å
203	R	79.2	Confident	72.7	Confident	88 Å²	88	56.1 Å²	56.1	33%	0.332	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.2	177.2	-64.8	177.9	76	-137.9	10.3	110.3	T179 V180 Q181 I235 E236	T179-R203 VanDerWaalsContact CG2-NH2 3.27Å; V180-R203 WeakPolarHBondContact O-CA 3.35Å; Q181-R203 HydrophobicContact CG-CG 3.92Å; R203-I235 CarbonylContact O-C 3.56Å; R203-I235 WeakPolarHBondContact O-CA 3.29Å; R203-E236 HydrophobicContact CB-CB 4.29Å; R203-E236 WeakPolarHBondContact CD-OE2 3.29Å; R203-E236 IonicContact CZ-OE2 3.8Å; R203-E236 PolarHBondContact N-O 3.38Å; R203-E236 IonicContact NE-OE2 2.65Å; R203-E236 IonicContact NH1-OE1 2.75Å; R203-E236 IonicContact NH1-OE2 2.66Å; R203-E236 PolarHBondContact NH1-OE2 3.08Å; R203-E236 PolarHBondContact O-N 3.22Å
204	I	82.3	Confident	73.8	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.3	174.6	-54.4	-178.7	0	0	0	108.5	V167 V180 V182 E206 I207 V212 L233 I235	V167-I204 HydrophobicContact CG1-CD1 3.71Å; V180-I204 HydrophobicContact CB-CB 4.15Å; V180-I204 HydrophobicContact CG1-CB 4.02Å; V180-I204 HydrophobicContact CG1-CD1 4.02Å; V180-I204 HydrophobicContact CG1-CG1 4.27Å; V180-I204 PolarHBondContact O-N 3.49Å; V182-I204 HydrophobicContact CG2-CD1 4.12Å; V182-I204 HydrophobicContact CG2-CG1 4.12Å; I204-E206 WeakPolarHBondContact CG2-O 3.45Å; I204-I207 HydrophobicContact CG2-CD1 4.44Å; I204-I207 HydrophobicContact CG2-CG1 3.86Å; I204-V212 HydrophobicContact CG2-CG1 4.1Å; I204-V212 WeakPolarHBondContact O-CG2 3.37Å; I204-L233 HydrophobicContact CD1-CD1 4.18Å; I204-L233 HydrophobicContact CD1-CD2 4.45Å; I204-L233 HydrophobicContact CG2-CD2 4.22Å; I204-I235 HydrophobicContact CG1-CD1 4.35Å; I204-I235 HydrophobicContact CG1-CG1 4.35Å
205	L	79.4	Confident	74.8	Confident	57 Å²	57	52.7 Å²	52.7	30%	0.298	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-39.2	-180	-58.4	-175.6	0	0	0	112.1	V150 P211 V212 L234 E236	V150-L205 HydrophobicContact CG1-CD1 4.13Å; V150-L205 HydrophobicContact CG2-CD1 4.42Å; L205-P211 WeakPolarHBondContact O-CA 3.43Å; L205-V212 PolarHBondContact O-N 3.48Å; L205-L234 HydrophobicContact CB-CD2 4.28Å; L205-L234 HydrophobicContact CD1-CD2 4.44Å; L205-L234 PolarHBondContact N-O 2.83Å; L205-E236 HydrophobicContact CD1-CB 4Å; L205-E236 HydrophobicContact CD2-CB 4.24Å; L205-E236 HydrophobicContact CG-CB 4.04Å
206	E	85.7	Confident	75.9	Confident	67 Å²	67	53.9 Å²	53.9	31%	0.313	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.1	-179.3	-50.1	-169.9	155.4	0	0	111.9	I204 T210 P211 L233 L234	I204-E206 WeakPolarHBondContact CG2-O 3.45Å; E206-T210 WeakPolarHBondContact CA-O 3.41Å; E206-P211 HydrophobicContact CG-CG 4.45Å; E206-L233 WeakPolarHBondContact O-CA 3.43Å; E206-L234 HydrophobicContact CB-CB 3.81Å; E206-L234 HydrophobicContact CG-CB 4.09Å; E206-L234 HydrophobicContact CG-CD2 3.89Å; E206-L234 PolarHBondContact N-O 3.05Å; E206-L234 PolarHBondContact O-N 3.16Å
207	I	81.7	Confident	76.8	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.8	174.4	-56.6	-179.4	0	0	0	107.7	I204 G209 T210 V212 L215 V220 A223 I224 L231 L233	I204-I207 HydrophobicContact CG2-CD1 4.44Å; I204-I207 HydrophobicContact CG2-CG1 3.86Å; I207-G209 PolarHBondContact O-N 3.19Å; I207-T210 PolarHBondContact N-O 2.93Å; I207-T210 WeakPolarHBondContact O-CB 3.15Å; I207-T210 PolarHBondContact O-N 3.31Å; I207-V212 HydrophobicContact CD1-CG1 4.14Å; I207-V212 HydrophobicContact CG1-CG1 3.99Å; I207-L215 HydrophobicContact CB-CD1 4.13Å; I207-L215 HydrophobicContact CD1-CD1 4.31Å; I207-L215 HydrophobicContact CG1-CD1 4.49Å; I207-V220 HydrophobicContact CD1-CB 4.38Å; I207-V220 HydrophobicContact CD1-CG1 3.86Å; I207-V220 HydrophobicContact CD1-CG2 4.17Å; I207-A223 HydrophobicContact CG2-CB 3.85Å; I207-I224 HydrophobicContact CD1-CD1 4.41Å; I207-L231 HydrophobicContact CG2-CD1 3.74Å; I207-L233 HydrophobicContact CB-CD2 4.31Å; I207-L233 HydrophobicContact CG1-CD2 3.84Å; I207-L233 HydrophobicContact CG2-CD2 4.09Å
208	N	79.2	Confident	77.6	Confident	71 Å²	71	55.2 Å²	55.2	38%	0.38	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	42.1	-177.2	-60	-29.9	0	0	0	113.3	T210 Q232	N208-T210 VanDerWaalsContact C-N 3.25Å; N208-T210 PolarHBondContact O-N 3.09Å; N208-Q232 PolarHBondContact N-O 3.08Å; N208-Q232 PolarHBondContact OD1-N 3.35Å
209	G	68.9	Low	78.2	Confident	58 Å²	58	59 Å²	59	60%	0.598	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	9.9	-177.7	0	0	0	0	0	115.3	I207	I207-G209 PolarHBondContact O-N 3.19Å
210	T	78.9	Confident	78.7	Confident	57 Å²	57	56.8 Å²	56.8	35%	0.35	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.6	176.3	-53.6	0	0	0	0	110.2	E206 I207 N208 V212 T214 L215	E206-T210 WeakPolarHBondContact CA-O 3.41Å; I207-T210 PolarHBondContact N-O 2.93Å; I207-T210 WeakPolarHBondContact O-CB 3.15Å; I207-T210 PolarHBondContact O-N 3.31Å; N208-T210 VanDerWaalsContact C-N 3.25Å; N208-T210 PolarHBondContact O-N 3.09Å; T210-V212 PolarHBondContact O-N 3.46Å; T210-T214 WeakPolarHBondContact CG2-OG1 3.33Å; T210-L215 HydrophobicContact CG2-CD1 4.47Å; T210-L215 HydrophobicContact CG2-CD2 3.66Å; T210-L215 HydrophobicContact CG2-CG 3.97Å
211	P	80	Confident	79.2	Confident	37 Å²	37	59.4 Å²	59.4	24%	0.24	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	133.5	178.7	-25.3	35	0	0	0	113	L205 E206 R213 T214	L205-P211 WeakPolarHBondContact O-CA 3.43Å; E206-P211 HydrophobicContact CG-CG 4.45Å; P211-R213 HydrophobicContact CB-CG 4.1Å; P211-R213 PolarHBondContact O-N 3.29Å; P211-R213 VanDerWaalsContact O-N 3.07Å; P211-T214 PolarHBondContact O-N 3.14Å; P211-T214 PolarHBondContact O-OG1 3.2Å
212	V	80.4	Confident	79.8	Confident	11 Å²	11	63.5 Å²	63.5	7%	0.067	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-56.8	-33.7	-174.2	-63.8	0	0	0	0	113	V180 I204 L205 I207 T210 T214 L215	V180-V212 HydrophobicContact CB-CG1 4.25Å; V180-V212 HydrophobicContact CG2-CB 3.79Å; V180-V212 HydrophobicContact CG2-CG1 3.85Å; V180-V212 HydrophobicContact CG2-CG2 4.18Å; I204-V212 HydrophobicContact CG2-CG1 4.1Å; I204-V212 WeakPolarHBondContact O-CG2 3.37Å; L205-V212 PolarHBondContact O-N 3.48Å; I207-V212 HydrophobicContact CD1-CG1 4.14Å; I207-V212 HydrophobicContact CG1-CG1 3.99Å; T210-V212 PolarHBondContact O-N 3.46Å; V212-T214 PolarHBondContact O-N 2.8Å; V212-L215 PolarHBondContact O-N 3.35Å
213	R	75.1	Confident	80	Confident	197 Å²	197	64.3 Å²	64.3	74%	0.743	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-60.6	-8.9	175	66.9	177.2	175.1	-172.5	-5.5	115.7	A177 P211	A177-R213 WeakPolarHBondContact O-CA 3.33Å; P211-R213 HydrophobicContact CB-CG 4.1Å; P211-R213 PolarHBondContact O-N 3.29Å; P211-R213 VanDerWaalsContact O-N 3.07Å
214	T	77.5	Confident	80.1	Confident	76 Å²	76	60.9 Å²	60.9	47%	0.466	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-108.5	-8.2	175.9	59.6	0	0	0	0	113.4	T210 P211 V212	T210-T214 WeakPolarHBondContact CG2-OG1 3.33Å; P211-T214 PolarHBondContact O-N 3.14Å; P211-T214 PolarHBondContact O-OG1 3.2Å; V212-T214 PolarHBondContact O-N 2.8Å
215	L	80.7	Confident	79.9	Confident	24 Å²	24	64.3 Å²	64.3	13%	0.126	34%	0.339	C	S	.	.	S	Bend	trans	-94.7	150.2	178.7	-62.8	175.2	0	0	0	111.2	Y176 A177 I207 T210 V212 E219 V220	Y176-L215 CarbonylContact C-O 3.53Å; Y176-L215 WeakPolarHBondContact CA-O 3.35Å; A177-L215 PolarHBondContact N-O 3.4Å; I207-L215 HydrophobicContact CB-CD1 4.13Å; I207-L215 HydrophobicContact CD1-CD1 4.31Å; I207-L215 HydrophobicContact CG1-CD1 4.49Å; T210-L215 HydrophobicContact CG2-CD1 4.47Å; T210-L215 HydrophobicContact CG2-CD2 3.66Å; T210-L215 HydrophobicContact CG2-CG 3.97Å; V212-L215 PolarHBondContact O-N 3.35Å; L215-E219 HydrophobicContact CB-CB 4.46Å; L215-E219 HydrophobicContact CD2-CB 4.44Å; L215-V220 HydrophobicContact CB-CG2 3.81Å; L215-V220 HydrophobicContact CD1-CG2 4.02Å
216	R	82.6	Confident	79.9	Confident	109 Å²	109	65.5 Å²	65.5	41%	0.411	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-77.4	158.7	167.7	-61.5	176.8	-177.4	-178.7	5.6	110.9	N175 Y176 E218 E219 V220	N175-R216 VanDerWaalsContact O-CA 3.27Å; N175-R216 WeakPolarHBondContact O-CA 3.4Å; Y176-R216 HydrophobicContact CD1-CG 4.08Å; Y176-R216 HydrophobicContact CE1-CG 3.94Å; R216-E218 VanDerWaalsContact C-N 3.27Å; R216-E218 PolarHBondContact O-N 2.76Å; R216-E219 HydrophobicContact CB-CB 4.33Å; R216-E219 HydrophobicContact CB-CG 4.01Å; R216-E219 WeakPolarHBondContact CB-OE2 3.44Å; R216-E219 PolarHBondContact N-OE2 2.87Å; R216-E219 PolarHBondContact O-N 3.14Å; R216-E219 VanDerWaalsContact O-N 3.15Å; R216-V220 WeakPolarHBondContact O-CG2 3.41Å; R216-V220 PolarHBondContact O-N 2.97Å; R216-V220 VanDerWaalsContact O-N 3.08Å
217	V	80.3	Confident	79.5	Confident	41 Å²	41	63.4 Å²	63.4	25%	0.248	34%	0.335	C	S	.	.	H	α-helix	trans	-55.7	-45.1	175.8	-176.3	0	0	0	0	111.1	V169 N175 E219 V220 E221	V169-V217 HydrophobicContact CB-CG1 4.09Å; V169-V217 HydrophobicContact CG1-CB 4.39Å; V169-V217 HydrophobicContact CG1-CG1 4.08Å; V169-V217 HydrophobicContact CG1-CG2 3.96Å; V169-V217 HydrophobicContact CG2-CG1 4.48Å; N175-V217 PolarHBondContact O-N 3.24Å; V217-E219 PolarHBondContact O-N 3.36Å; V217-V220 PolarHBondContact O-N 2.91Å; V217-E221 PolarHBondContact O-N 3.2Å; V217-E221 VanDerWaalsContact O-N 3.13Å
218	E	79.7	Confident	79.2	Confident	132 Å²	132	67.4 Å²	67.4	62%	0.617	36%	0.363	S	S	*	.	H	α-helix	trans	-58.5	-45.3	176.1	-63.4	165.1	172.6	0	0	112	R216 V220 E221 D222	R216-E218 VanDerWaalsContact C-N 3.27Å; R216-E218 PolarHBondContact O-N 2.76Å; E218-V220 VanDerWaalsContact C-N 3.31Å; E218-V220 PolarHBondContact O-N 3.19Å; E218-E221 PolarHBondContact O-N 2.91Å; E218-D222 WeakPolarHBondContact O-CB 3.35Å; E218-D222 PolarHBondContact O-N 2.69Å
219	E	83.1	Confident	79.1	Confident	79 Å²	79	69.5 Å²	69.5	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-66.5	-31.3	-179.2	-65.9	164.9	171.8	0	0	112.4	L215 R216 V217 A223	L215-E219 HydrophobicContact CB-CB 4.46Å; L215-E219 HydrophobicContact CD2-CB 4.44Å; R216-E219 HydrophobicContact CB-CB 4.33Å; R216-E219 HydrophobicContact CB-CG 4.01Å; R216-E219 WeakPolarHBondContact CB-OE2 3.44Å; R216-E219 PolarHBondContact N-OE2 2.87Å; R216-E219 PolarHBondContact O-N 3.14Å; R216-E219 VanDerWaalsContact O-N 3.15Å; V217-E219 PolarHBondContact O-N 3.36Å; E219-A223 VanDerWaalsContact O-CB 3.28Å; E219-A223 WeakPolarHBondContact O-CB 2.96Å; E219-A223 PolarHBondContact O-N 3.44Å; E219-A223 VanDerWaalsContact O-N 3.08Å
220	V	81.4	Confident	79.6	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-70.2	-43.1	173.2	171.8	0	0	0	0	111.3	V167 V169 A177 V180 I207 L215 R216 V217 E218 I224	V167-V220 HydrophobicContact CG2-CG1 4.45Å; V169-V220 HydrophobicContact CG2-CB 4.38Å; V169-V220 HydrophobicContact CG2-CG1 3.78Å; A177-V220 HydrophobicContact CB-CG2 4.08Å; V180-V220 HydrophobicContact CG1-CG1 4.13Å; V180-V220 HydrophobicContact CG2-CG1 4.13Å; V180-V220 HydrophobicContact CG2-CG2 4.36Å; I207-V220 HydrophobicContact CD1-CB 4.38Å; I207-V220 HydrophobicContact CD1-CG1 3.86Å; I207-V220 HydrophobicContact CD1-CG2 4.17Å; L215-V220 HydrophobicContact CB-CG2 3.81Å; L215-V220 HydrophobicContact CD1-CG2 4.02Å; R216-V220 WeakPolarHBondContact O-CG2 3.41Å; R216-V220 PolarHBondContact O-N 2.97Å; R216-V220 VanDerWaalsContact O-N 3.08Å; V217-V220 PolarHBondContact O-N 2.91Å; E218-V220 VanDerWaalsContact C-N 3.31Å; E218-V220 PolarHBondContact O-N 3.19Å; V220-I224 HydrophobicContact CG1-CD1 3.96Å; V220-I224 WeakPolarHBondContact O-CD1 3.36Å; V220-I224 WeakPolarHBondContact O-CG1 3.48Å; V220-I224 PolarHBondContact O-N 2.83Å
221	E	81.4	Confident	79.8	Confident	112 Å²	112	67.9 Å²	67.9	52%	0.523	35%	0.349	S	S	.	.	H	α-helix	trans	-69.7	-39	178.6	-68.3	-172.9	172	0	0	112.1	V217 E218 I224 S225	V217-E221 PolarHBondContact O-N 3.2Å; V217-E221 VanDerWaalsContact O-N 3.13Å; E218-E221 PolarHBondContact O-N 2.91Å; E221-I224 PolarHBondContact O-N 2.8Å; E221-S225 VanDerWaalsContact O-CB 3.26Å; E221-S225 WeakPolarHBondContact O-CB 3.3Å; E221-S225 PolarHBondContact O-N 3.03Å; E221-S225 PolarHBondContact O-OG 2.89Å
222	D	81.8	Confident	79.8	Confident	109 Å²	109	69.6 Å²	69.6	58%	0.583	35%	0.353	S	S	*	.	H	α-helix	trans	-62.2	-48.6	172.8	-84.6	-15.9	0	0	0	111.7	E218 I224 S225 Q226	E218-D222 WeakPolarHBondContact O-CB 3.35Å; E218-D222 PolarHBondContact O-N 2.69Å; D222-I224 VanDerWaalsContact C-N 3.25Å; D222-I224 PolarHBondContact O-N 3.18Å; D222-S225 WeakPolarHBondContact CA-OG 3.38Å; D222-S225 PolarHBondContact O-N 2.91Å; D222-S225 PolarHBondContact O-OG 2.95Å; D222-Q226 VanDerWaalsContact O-CB 3.26Å; D222-Q226 WeakPolarHBondContact O-CB 3.41Å; D222-Q226 PolarHBondContact O-N 2.84Å
223	A	81	Confident	79.9	Confident	19 Å²	19	69 Å²	69	16%	0.157	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-31.6	-179.2	0	0	0	0	0	113.4	I207 E219 L231	I207-A223 HydrophobicContact CG2-CB 3.85Å; E219-A223 VanDerWaalsContact O-CB 3.28Å; E219-A223 WeakPolarHBondContact O-CB 2.96Å; E219-A223 PolarHBondContact O-N 3.44Å; E219-A223 VanDerWaalsContact O-N 3.08Å; A223-L231 WeakPolarHBondContact O-CD1 3.08Å
224	I	81.9	Confident	80.1	Confident	15 Å²	15	60.7 Å²	60.7	8%	0.077	32%	0.32	C	S	.	.	H	α-helix	trans	-83.3	-37.5	178.9	-67.8	168	0	0	0	111.6	R163 F165 V167 I207 V220 E221 D222 L231	R163-I224 WeakPolarHBondContact CD-O 3.43Å; F165-I224 HydrophobicContact CE2-CD1 4.42Å; F165-I224 HydrophobicContact CE2-CG1 4.5Å; F165-I224 HydrophobicContact CE2-CG2 3.94Å; F165-I224 HydrophobicContact CZ-CG1 4.43Å; F165-I224 HydrophobicContact CZ-CG2 3.85Å; V167-I224 HydrophobicContact CB-CD1 4.21Å; V167-I224 HydrophobicContact CG1-CD1 3.63Å; V167-I224 HydrophobicContact CG2-CD1 3.5Å; I207-I224 HydrophobicContact CD1-CD1 4.41Å; V220-I224 HydrophobicContact CG1-CD1 3.96Å; V220-I224 WeakPolarHBondContact O-CD1 3.36Å; V220-I224 WeakPolarHBondContact O-CG1 3.48Å; V220-I224 PolarHBondContact O-N 2.83Å; E221-I224 PolarHBondContact O-N 2.8Å; D222-I224 VanDerWaalsContact C-N 3.25Å; D222-I224 PolarHBondContact O-N 3.18Å; I224-L231 HydrophobicContact CG1-CD2 4.41Å
225	S	76.9	Confident	80.3	Confident	75 Å²	75	57 Å²	57	52%	0.524	30%	0.298	S	S	.	.	H	α-helix	trans	-76.3	-28.9	178.7	65.5	0	0	0	0	113.3	E221 D222 T227	E221-S225 VanDerWaalsContact O-CB 3.26Å; E221-S225 WeakPolarHBondContact O-CB 3.3Å; E221-S225 PolarHBondContact O-N 3.03Å; E221-S225 PolarHBondContact O-OG 2.89Å; D222-S225 WeakPolarHBondContact CA-OG 3.38Å; D222-S225 PolarHBondContact O-N 2.91Å; D222-S225 PolarHBondContact O-OG 2.95Å; S225-T227 WeakPolarHBondContact O-CG2 3.32Å; S225-T227 PolarHBondContact O-N 2.84Å
226	Q	79.1	Confident	80.1	Confident	82 Å²	82	57.9 Å²	57.9	38%	0.383	30%	0.301	S	S	.	.			trans	-65.7	102.9	176.3	-175.1	-176.9	-3.4	0	0	111.2	R163 D222 S228 Q229	R163-Q226 PolarHBondContact NE-O 3.18Å; R163-Q226 PolarHBondContact NH2-O 2.83Å; D222-Q226 VanDerWaalsContact O-CB 3.26Å; D222-Q226 WeakPolarHBondContact O-CB 3.41Å; D222-Q226 PolarHBondContact O-N 2.84Å; Q226-S228 WeakPolarHBondContact CG-OG 3.38Å; Q226-S228 PolarHBondContact NE2-OG 3.34Å; Q226-Q229 VanDerWaalsContact NE2-CD 3.34Å
227	T	78.4	Confident	79.7	Confident	24 Å²	24	54 Å²	54	15%	0.147	29%	0.288	C	S	.	.			trans	-88.4	-5.8	179.5	72.7	0	0	0	0	115.4	A157 T158 G161 R163 S225 Q229	A157-T227 CarbonylContact C-O 3.52Å; A157-T227 WeakPolarHBondContact CA-O 3.4Å; A157-T227 WeakPolarHBondContact CB-O 3.37Å; T158-T227 PolarHBondContact N-O 3.21Å; T158-T227 VanDerWaalsContact O-CB 3.31Å; T158-T227 WeakPolarHBondContact O-CB 3.45Å; T158-T227 PolarHBondContact O-OG1 3.1Å; T158-T227 WeakPolarHBondContact OG1-CB 3.42Å; G161-T227 VanDerWaalsContact C-CG2 3.45Å; R163-T227 HydrophobicContact CG-CG2 4.08Å; S225-T227 WeakPolarHBondContact O-CG2 3.32Å; S225-T227 PolarHBondContact O-N 2.84Å; T227-Q229 PolarHBondContact O-N 2.9Å
228	S	74.7	Confident	78.6	Confident	87 Å²	87	53.9 Å²	53.9	61%	0.608	29%	0.286	S	S	*	.	S	Bend	trans	-79.3	-10	-169.9	56	0	0	0	0	115.8	Q226	Q226-S228 WeakPolarHBondContact CG-OG 3.38Å; Q226-S228 PolarHBondContact NE2-OG 3.34Å
229	Q	77.5	Confident	77.4	Confident	116 Å²	116	48.7 Å²	48.7	54%	0.542	26%	0.264	S	S	.	.	S	Bend	trans	-125.7	178	-178.4	-63.5	-176.1	5.6	0	0	111.1	A157 R163 Q226 T227	A157-Q229 VanDerWaalsContact CA-O 3.25Å; A157-Q229 WeakPolarHBondContact CA-O 3.43Å; A157-Q229 PolarHBondContact N-O 3.2Å; R163-Q229 PolarHBondContact NH2-O 2.77Å; Q226-Q229 VanDerWaalsContact NE2-CD 3.34Å; T227-Q229 PolarHBondContact O-N 2.9Å
230	T	79.4	Confident	75.6	Confident	78 Å²	78	48.7 Å²	48.7	48%	0.479	27%	0.269	S	S	.	.			trans	-77.8	132.6	167.2	-59.2	0	0	0	0	109	M155 Q232	M155-T230 CarbonylContact O-C 3.57Å; M155-T230 WeakPolarHBondContact O-CA 3.3Å; M155-T230 WeakPolarHBondContact O-CG2 3.45Å; T230-Q232 HydrophobicContact CG2-CG 4.41Å
231	L	82.2	Confident	74	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.4	174.1	178.4	61.7	0	0	0	109.1	M155 R163 F165 I207 A223 I224 L233	M155-L231 HydrophobicContact CE-CB 4.45Å; M155-L231 HydrophobicContact CE-CD2 3.87Å; M155-L231 HydrophobicContact CE-CG 4.11Å; M155-L231 PolarHBondContact N-O 2.86Å; M155-L231 PolarHBondContact O-N 3.15Å; R163-L231 VanDerWaalsContact CD-CD2 3.48Å; F165-L231 HydrophobicContact CZ-CD2 4.18Å; I207-L231 HydrophobicContact CG2-CD1 3.74Å; A223-L231 WeakPolarHBondContact O-CD1 3.08Å; I224-L231 HydrophobicContact CG1-CD2 4.41Å; L231-L233 HydrophobicContact CD1-CD2 4.14Å; L231-L233 HydrophobicContact CD2-CD2 4.36Å; L231-L233 HydrophobicContact CG-CD2 4.13Å; L231-L233 HydrophobicContact CG-CG 4.28Å
232	Q	81.6	Confident	72.3	Confident	73 Å²	73	49.2 Å²	49.2	34%	0.341	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.3	174.5	-58.6	-172.7	-61.2	0	0	109.9	I153 S154 N208 T230	I153-Q232 WeakPolarHBondContact O-CA 3.47Å; S154-Q232 PolarHBondContact OG-NE2 2.69Å; S154-Q232 VanDerWaalsContact OG-NE2 3.16Å; N208-Q232 PolarHBondContact N-O 3.08Å; N208-Q232 PolarHBondContact OD1-N 3.35Å; T230-Q232 HydrophobicContact CG2-CG 4.41Å
233	L	82.4	Confident	70.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.9	178.7	-58.8	178.6	0	0	0	110	I153 M155 F165 I204 E206 I207 L231 I235	I153-L233 PolarHBondContact N-O 3.15Å; I153-L233 PolarHBondContact O-N 2.66Å; M155-L233 HydrophobicContact CE-CD1 3.44Å; M155-L233 VanDerWaalsContact CE-CD1 3.44Å; M155-L233 HydrophobicContact CE-CG 3.91Å; F165-L233 HydrophobicContact CE2-CD1 4.12Å; F165-L233 HydrophobicContact CZ-CD1 3.76Å; I204-L233 HydrophobicContact CD1-CD1 4.18Å; I204-L233 HydrophobicContact CD1-CD2 4.45Å; I204-L233 HydrophobicContact CG2-CD2 4.22Å; E206-L233 WeakPolarHBondContact O-CA 3.43Å; I207-L233 HydrophobicContact CB-CD2 4.31Å; I207-L233 HydrophobicContact CG1-CD2 3.84Å; I207-L233 HydrophobicContact CG2-CD2 4.09Å; L231-L233 HydrophobicContact CD1-CD2 4.14Å; L231-L233 HydrophobicContact CD2-CD2 4.36Å; L231-L233 HydrophobicContact CG-CD2 4.13Å; L231-L233 HydrophobicContact CG-CG 4.28Å; L233-I235 HydrophobicContact CB-CD1 4.07Å; L233-I235 HydrophobicContact CB-CG1 3.85Å; L233-I235 HydrophobicContact CD1-CD1 4.08Å
234	L	78.7	Confident	68.7	Low	21 Å²	21	55.5 Å²	55.5	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.7	164.1	-168.2	73.1	0	0	0	108	V150 T151 L152 L205 E206	V150-L234 HydrophobicContact CG1-CD1 3.8Å; V150-L234 HydrophobicContact CG1-CD2 4.17Å; V150-L234 HydrophobicContact CG1-CG 3.74Å; T151-L234 WeakPolarHBondContact O-CA 3.45Å; L152-L234 HydrophobicContact CB-CD1 4.08Å; L152-L234 HydrophobicContact CD1-CB 4.41Å; L152-L234 HydrophobicContact CD1-CD1 4.19Å; L205-L234 HydrophobicContact CB-CD2 4.28Å; L205-L234 HydrophobicContact CD1-CD2 4.44Å; L205-L234 PolarHBondContact N-O 2.83Å; E206-L234 HydrophobicContact CB-CB 3.81Å; E206-L234 HydrophobicContact CG-CB 4.09Å; E206-L234 HydrophobicContact CG-CD2 3.89Å; E206-L234 PolarHBondContact N-O 3.05Å; E206-L234 PolarHBondContact O-N 3.16Å
235	I	80.8	Confident	66.8	Low	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.5	-170.9	-57.3	-161.1	0	0	0	110.6	V150 T151 I153 I198 D202 R203 I204 L233	V150-I235 CarbonylContact C-O 3.55Å; V150-I235 VanDerWaalsContact CA-O 3.25Å; V150-I235 WeakPolarHBondContact CA-O 3.49Å; T151-I235 PolarHBondContact N-O 2.87Å; T151-I235 PolarHBondContact O-N 2.81Å; I153-I235 HydrophobicContact CD1-CB 4.47Å; I153-I235 HydrophobicContact CD1-CD1 3.77Å; I153-I235 HydrophobicContact CD1-CG1 4.15Å; I198-I235 HydrophobicContact CG1-CD1 4.17Å; D202-I235 HydrophobicContact CB-CG2 3.57Å; R203-I235 CarbonylContact O-C 3.56Å; R203-I235 WeakPolarHBondContact O-CA 3.29Å; I204-I235 HydrophobicContact CG1-CD1 4.35Å; I204-I235 HydrophobicContact CG1-CG1 4.35Å; L233-I235 HydrophobicContact CB-CD1 4.07Å; L233-I235 HydrophobicContact CB-CG1 3.85Å; L233-I235 HydrophobicContact CD1-CD1 4.08Å
236	E	77.8	Confident	65.2	Low	41 Å²	41	61.6 Å²	61.6	19%	0.192	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.3	170.8	175.3	-173.2	-120.6	0	0	109.7	V150 R203 L205	V150-E236 HydrophobicContact CG2-CB 4.25Å; V150-E236 HydrophobicContact CG2-CG 4.4Å; R203-E236 HydrophobicContact CB-CB 4.29Å; R203-E236 WeakPolarHBondContact CD-OE2 3.29Å; R203-E236 IonicContact CZ-OE2 3.8Å; R203-E236 PolarHBondContact N-O 3.38Å; R203-E236 IonicContact NE-OE2 2.65Å; R203-E236 IonicContact NH1-OE1 2.75Å; R203-E236 IonicContact NH1-OE2 2.66Å; R203-E236 PolarHBondContact NH1-OE2 3.08Å; R203-E236 PolarHBondContact O-N 3.22Å; L205-E236 HydrophobicContact CD1-CB 4Å; L205-E236 HydrophobicContact CD2-CB 4.24Å; L205-E236 HydrophobicContact CG-CB 4.04Å
237	H	73.4	Confident	63.4	Low	28 Å²	28	63.6 Å²	63.6	13%	0.13	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.6	175.3	-58.2	-66.5	0	0	0	109.8	S149 T151 A197 D202 P239	S149-H237 PolarHBondContact O-N 3.12Å; S149-H237 PolarHBondContact OG-CD2 2.9Å; T151-H237 WeakPolarHBondContact CG2-NE2 3.41Å; T151-H237 PolarHBondContact OG1-NE2 2.94Å; A197-H237 PolarHBondContact O-CE1 2.89Å; D202-H237 IonicContact OD1-CE1 3.57Å; D202-H237 IonicContact OD1-CG 3.28Å; D202-H237 IonicContact OD1-ND1 3.79Å; D202-H237 PolarHBondContact OD1-ND1 2.88Å; D202-H237 IonicContact OD2-CE1 3.99Å; D202-H237 PolarHBondContact OD2-CE1 2.85Å; D202-H237 VanDerWaalsContact OD2-CE1 3.28Å; D202-H237 IonicContact OD2-ND1 2.66Å; D202-H237 PolarHBondContact OD2-ND1 2.82Å; D202-H237 VanDerWaalsContact OD2-ND1 3.15Å; H237-P239 WeakPolarHBondContact O-CD 3.35Å
238	D	57.7	Low	61.5	Low	39 Å²	39	69.3 Å²	69.3	21%	0.209	35%	0.347	C	S	.	.			trans	-85.6	115.1	173.4	171	37.9	0	0	0	110.9	Y148 V240 S241	Y148-D238 PolarHBondContact OH-OD1 3.4Å; D238-V240 PolarHBondContact O-N 3.25Å; D238-V240 VanDerWaalsContact O-N 3.15Å; D238-V240 WeakPolarHBondContact OD1-CB 3.49Å; D238-V240 WeakPolarHBondContact OD1-CG2 3.46Å; D238-V240 PolarHBondContact OD1-N 3.48Å; D238-V240 WeakPolarHBondContact OD2-CB 3.48Å; D238-S241 PolarHBondContact O-N 2.94Å; D238-S241 PolarHBondContact O-OG 3.29Å; D238-S241 PolarHBondContact OD2-N 3.26Å
239	P	53.3	Low	59.8	Low	23 Å²	23	70.6 Å²	70.6	15%	0.149	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.9	177.6	29.7	-36.5	0	0	0	114	L146 Y148 H237	L146-P239 HydrophobicContact CB-CB 3.55Å; L146-P239 WeakPolarHBondContact O-CB 3.17Å; Y148-P239 HydrophobicContact CD1-CG 4.3Å; Y148-P239 HydrophobicContact CD2-CG 4.09Å; Y148-P239 VanDerWaalsContact CE1-CD 3.41Å; Y148-P239 HydrophobicContact CE1-CG 4.07Å; Y148-P239 HydrophobicContact CE2-CG 3.84Å; Y148-P239 HydrophobicContact CG-CG 4.29Å; H237-P239 WeakPolarHBondContact O-CD 3.35Å
240	V	46.9	Very low	57.9	Low	79 Å²	79	71.5 Å²	71.5	48%	0.479	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-40.5	178.1	-174.3	0	0	0	0	111.9	D238 Q242 R243	D238-V240 PolarHBondContact O-N 3.25Å; D238-V240 VanDerWaalsContact O-N 3.15Å; D238-V240 WeakPolarHBondContact OD1-CB 3.49Å; D238-V240 WeakPolarHBondContact OD1-CG2 3.46Å; D238-V240 PolarHBondContact OD1-N 3.48Å; D238-V240 WeakPolarHBondContact OD2-CB 3.48Å; V240-Q242 PolarHBondContact O-N 2.87Å; V240-R243 WeakPolarHBondContact O-CB 3.28Å; V240-R243 PolarHBondContact O-N 2.98Å; V240-R243 VanDerWaalsContact O-N 3.1Å
241	S	46.7	Very low	55.8	Low	30 Å²	30	71.7 Å²	71.7	21%	0.21	36%	0.36	C	S	.	.	H	α-helix	trans	-50.3	-46.3	-177.5	66.1	0	0	0	0	114.5	D238 R243 L244	D238-S241 PolarHBondContact O-N 2.94Å; D238-S241 PolarHBondContact O-OG 3.29Å; D238-S241 PolarHBondContact OD2-N 3.26Å; S241-R243 PolarHBondContact O-N 2.79Å; S241-R243 VanDerWaalsContact O-N 3.16Å; S241-L244 PolarHBondContact O-N 2.89Å
242	Q	45.8	Very low	53.8	Low	93 Å²	93	81.9 Å²	81.9	44%	0.435	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-25.1	-177.8	-64.3	-171.3	3.5	0	0	113.7	V240 L244 Q246	V240-Q242 PolarHBondContact O-N 2.87Å; Q242-L244 VanDerWaalsContact C-N 3.26Å; Q242-L244 PolarHBondContact O-N 3.33Å; Q242-Q246 PolarHBondContact O-N 2.87Å
243	R	45.9	Very low	51.6	Low	164 Å²	164	84.7 Å²	84.7	62%	0.619	42%	0.415	S	S	*	.	H	α-helix	trans	-65.6	-28.3	176.2	-69.6	-178	162.5	-177.6	-3.7	112.8	V240 S241 L247	V240-R243 WeakPolarHBondContact O-CB 3.28Å; V240-R243 PolarHBondContact O-N 2.98Å; V240-R243 VanDerWaalsContact O-N 3.1Å; S241-R243 PolarHBondContact O-N 2.79Å; S241-R243 VanDerWaalsContact O-N 3.16Å; R243-L247 WeakPolarHBondContact O-CD1 3.26Å; R243-L247 WeakPolarHBondContact O-CG 3.33Å
244	L	41	Very low	49.4	Very low	96 Å²	96	89.1 Å²	89.1	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-80.7	-36.8	-173.8	-126.2	71.7	0	0	0	112.9	S241 Q242 R248	S241-L244 PolarHBondContact O-N 2.89Å; Q242-L244 VanDerWaalsContact C-N 3.26Å; Q242-L244 PolarHBondContact O-N 3.33Å; L244-R248 WeakPolarHBondContact O-CD 3.48Å; L244-R248 VanDerWaalsContact O-CG 3.22Å; L244-R248 WeakPolarHBondContact O-CG 3.43Å; L244-R248 PolarHBondContact O-N 2.91Å
245	D	43.3	Very low	47.3	Very low	90 Å²	90	94 Å²	94	48%	0.481	49%	0.485	S	S	.	.	H	α-helix	trans	-83.4	-32.2	-177.3	-85	-1.2	0	0	0	113.1	L247 R248 L249	D245-L247 PolarHBondContact O-N 2.83Å; D245-R248 PolarHBondContact O-N 2.93Å; D245-R248 VanDerWaalsContact O-N 3.11Å; D245-R248 IonicContact OD1-NH1 3.63Å; D245-L249 WeakPolarHBondContact O-CB 3.49Å; D245-L249 PolarHBondContact O-N 2.92Å
246	Q	43.8	Very low	44.9	Very low	128 Å²	128	101.8 Å²	101.8	60%	0.598	52%	0.521	S	S	*	.	H	α-helix	trans	-60.8	-45.4	173.5	-164.5	166.6	7.3	0	0	111.1	Q242 R248 L249 E250	Q242-Q246 PolarHBondContact O-N 2.87Å; Q246-R248 VanDerWaalsContact C-N 3.28Å; Q246-R248 PolarHBondContact O-N 2.8Å; Q246-L249 PolarHBondContact O-N 2.94Å; Q246-E250 PolarHBondContact O-N 3.37Å
247	L	40	Very low	42.5	Very low	124 Å²	124	106.3 Å²	106.3	65%	0.649	54%	0.544	S	S	*	.	H	α-helix	trans	-65.6	-24.4	174.3	-69.1	174.6	0	0	0	114	R243 D245	R243-L247 WeakPolarHBondContact O-CD1 3.26Å; R243-L247 WeakPolarHBondContact O-CG 3.33Å; D245-L247 PolarHBondContact O-N 2.83Å
248	R	39.2	Very low	40.3	Very low	143 Å²	143	112.1 Å²	112.1	54%	0.54	57%	0.571	S	S	.	*	H	α-helix	trans	-86.3	-27.2	176.9	-76.6	168.9	174.5	167.1	-1.8	113.5	L244 D245 Q246 R252	L244-R248 WeakPolarHBondContact O-CD 3.48Å; L244-R248 VanDerWaalsContact O-CG 3.22Å; L244-R248 WeakPolarHBondContact O-CG 3.43Å; L244-R248 PolarHBondContact O-N 2.91Å; D245-R248 PolarHBondContact O-N 2.93Å; D245-R248 VanDerWaalsContact O-N 3.11Å; D245-R248 IonicContact OD1-NH1 3.63Å; Q246-R248 VanDerWaalsContact C-N 3.28Å; Q246-R248 PolarHBondContact O-N 2.8Å; R248-R252 WeakPolarHBondContact O-CG 3.4Å
249	L	38.5	Very low	38.8	Very low	115 Å²	115	116.8 Å²	116.8	60%	0.602	60%	0.596	S	S	*	*	H	α-helix	trans	-78.9	-43.3	-179	-154.4	71.1	0	0	0	111.1	D245 Q246 A251 R252 L253	D245-L249 WeakPolarHBondContact O-CB 3.49Å; D245-L249 PolarHBondContact O-N 2.92Å; Q246-L249 PolarHBondContact O-N 2.94Å; L249-A251 VanDerWaalsContact C-N 3.31Å; L249-A251 PolarHBondContact O-N 3.24Å; L249-R252 PolarHBondContact O-N 3.07Å; L249-R252 VanDerWaalsContact O-N 3.13Å; L249-L253 HydrophobicContact CG-CD1 4.04Å; L249-L253 PolarHBondContact O-N 2.75Å
250	E	38.2	Very low	37.5	Very low	134 Å²	134	120.1 Å²	120.1	63%	0.626	63%	0.625	S	S	*	*	H	α-helix	trans	-61.3	-39.1	175.4	-69.4	178.5	177.9	0	0	111.8	Q246 R252	Q246-E250 PolarHBondContact O-N 3.37Å; E250-R252 PolarHBondContact O-N 2.83Å; E250-R252 VanDerWaalsContact O-N 3.16Å
251	A	35.6	Very low	36.5	Very low	83 Å²	83	120.3 Å²	120.3	69%	0.686	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-4.7	177.2	0	0	0	0	0	115.1	L249	L249-A251 VanDerWaalsContact C-N 3.31Å; L249-A251 PolarHBondContact O-N 3.24Å
252	R	39.4	Very low	35.5	Very low	216 Å²	216	128 Å²	128	82%	0.815	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	-4.3	-174.5	-74.4	-176.7	171.6	-168.6	-1.8	115.3	R248 L249 E250	R248-R252 WeakPolarHBondContact O-CG 3.4Å; L249-R252 PolarHBondContact O-N 3.07Å; L249-R252 VanDerWaalsContact O-N 3.13Å; E250-R252 PolarHBondContact O-N 2.83Å; E250-R252 VanDerWaalsContact O-N 3.16Å
253	L	35	Very low	35.2	Very low	131 Å²	131	127.6 Å²	127.6	69%	0.686	68%	0.681	S	S	*	*			trans	-105.8	26.8	-175.9	-71.9	174.1	0	0	0	114.3	L249 P255	L249-L253 HydrophobicContact CG-CD1 4.04Å; L249-L253 PolarHBondContact O-N 2.75Å; L253-P255 VanDerWaalsContact C-CD 3.46Å; L253-P255 VanDerWaalsContact O-CD 3.24Å; L253-P255 WeakPolarHBondContact O-CD 3.4Å
254	A	36.8	Very low	34.2	Very low	93 Å²	93	127.5 Å²	127.5	77%	0.769	69%	0.687	S	S	*	*			trans	-112.9	79.2	176.7	0	0	0	0	0	113.9
255	P	33.3	Very low	33.4	Very low	125 Å²	125	128.2 Å²	128.2	81%	0.812	70%	0.696	S	S	*	*			trans	-81.2	121	158.8	12.7	2.9	0	0	0	110.3	L253	L253-P255 VanDerWaalsContact C-CD 3.46Å; L253-P255 VanDerWaalsContact O-CD 3.24Å; L253-P255 WeakPolarHBondContact O-CD 3.4Å
256	H	30.4	Very low	32.4	Very low	162 Å²	162	131.7 Å²	131.7	75%	0.75	71%	0.714	S	S	*	*			trans	-84	168.3	174.9	-165.6	-77	0	0	0	111.3
257	M	27.8	Very low	31.4	Very low	137 Å²	137	130.6 Å²	130.6	68%	0.675	72%	0.72	S	S	*	*			trans	82.6	132.5	-178.2	-50.1	-93.2	92	0	0	113.4
258	Q	28.4	Very low	30.6	Very low	149 Å²	149	130.4 Å²	130.4	70%	0.696	72%	0.724	S	S	*	*			cis	-160.2	168.8	4.9	-124.9	-176.7	62.5	0	0	109.2
259	N	26	Very low	29.9	Very low	137 Å²	137	130.5 Å²	130.5	73%	0.733	73%	0.734	S	S	*	*			cis	-138.7	-106.4	2.9	-165.4	-35.7	0	0	0	112.5
260	A	26.1	Very low	29.2	Very low	93 Å²	93	131.6 Å²	131.6	77%	0.769	74%	0.741	S	S	*	*			trans	-132.7	154	-165.1	0	0	0	0	0	114.7
261	G	25.2	Very low	28.6	Very low	83 Å²	83	131.8 Å²	131.8	86%	0.856	75%	0.751	S	S	*	*			trans	167.6	71.4	174.8	0	0	0	0	0	115.4
262	H	26.8	Very low	28.1	Very low	191 Å²	191	136.7 Å²	136.7	88%	0.884	76%	0.757	S	S	*	*			trans	-76.6	169.3	171.6	-86.8	-54.6	0	0	0	112.5
263	P	38.1	Very low	27.4	Very low	86 Å²	86	135.2 Å²	135.2	56%	0.558	76%	0.76	S	S	*	*			cis	-137.2	-174.8	-47.7	38.8	-21	0	0	0	112
264	H	25.8	Very low	26.9	Very low	162 Å²	162	136.2 Å²	136.2	75%	0.75	77%	0.766	S	S	*	*				160.4	118.7	125.8	-89.4	-65.6	0	0	0	116.1
265	T	23.5	Very low	26.4	Very low	111 Å²	111	138.1 Å²	138.1	68%	0.681	76%	0.762	S	S	*	*			trans	29.7	148.9	131.2	27.4	0	0	0	0	124.8
266	L	23.4	Very low	25.9	Very low	163 Å²	163	140.7 Å²	140.7	85%	0.853	76%	0.763	S	S	*	*			trans	75.3	149.9	171.1	-86.1	79.5	0	0	0	116.2
267	S	22.9	Very low	25.7	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	76%	0.756	S	S	*	*			cis	-143.9	167	-2.8	-165.9	0	0	0	0	111.8
268	T	22.4	Very low	25.9	Very low	120 Å²	120	135.9 Å²	135.9	74%	0.736	77%	0.765	S	S	*	*			trans	-95.8	167.4	176.7	43.4	0	0	0	0	114.5
269	L	24.6	Very low	25.9	Very low	145 Å²	145	135.2 Å²	135.2	76%	0.759	77%	0.765	S	S	*	*			trans	82.4	120.2	158.2	-70	158.5	0	0	0	120.8
270	D	23.7	Very low	26.1	Very low	139 Å²	139	138.8 Å²	138.8	74%	0.743	77%	0.769	S	S	*	*			trans	37.6	135.2	133.3	-56.6	-14.2	0	0	0	120.4
271	T	25.7	Very low	26.1	Very low	137 Å²	137	145 Å²	145	84%	0.84	77%	0.772	S	S	*	*				-161	163.9	61.8	-54.5	0	0	0	0	112.2
272	K	25.4	Very low	26.2	Very low	187 Å²	187	152.4 Å²	152.4	81%	0.813	77%	0.774	S	S	*	*			trans	-65	165.5	171	-49.7	174.4	-178.8	172.8	0	111
273	E	25	Very low	26.1	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	76%	0.764	S	S	*	*			cis	-151.7	-170.3	39.1	-68.7	-167.7	114	0	0	114.1
274	N	24.4	Very low	25.6	Very low	152 Å²	152	150.7 Å²	150.7	81%	0.813	77%	0.774	S	S	*	*			trans	-70.3	178.3	174.4	-56.7	-70.5	0	0	0	112
275	L	25.9	Very low	25.6	Very low	134 Å²	134	152.4 Å²	152.4	70%	0.702	77%	0.773	S	S	*	*			cis	-165.6	147.1	25.5	-173.8	66.4	0	0	0	110.9
276	E	22.9	Very low	25.6	Very low	178 Å²	178	157.5 Å²	157.5	83%	0.832	78%	0.78	S	S	*	*			trans	45.6	152	157.3	-69.2	171.3	155.8	0	0	121.9
277	G	25.5	Very low	25.7	Very low	58 Å²	58	154.1 Å²	154.1	60%	0.598	77%	0.77	S	S	*	*			cis	164.9	125.8	-8	0	0	0	0	0	114.9
278	T	33.2	Very low	25.8	Very low	141 Å²	141	155.8 Å²	155.8	87%	0.865	77%	0.771	S	S	*	*			trans	61.8	164.5	155.4	71.8	0	0	0	0	121.8
279	L	27.7	Very low	26	Very low	134 Å²	134	154.4 Å²	154.4	70%	0.702	77%	0.766	S	S	*	*			trans	161.2	173.9	142.5	-84.9	170.4	0	0	0	106.8
280	R	28.9	Very low	26.2	Very low	213 Å²	213	155.2 Å²	155.2	80%	0.804	77%	0.769	S	S	*	*			cis	-157.4	172.1	10	-129.9	153.4	-158.6	159.7	8.7	105.1
281	R	28	Very low	26.6	Very low	223 Å²	223	153.5 Å²	153.5	84%	0.842	77%	0.769	S	S	*	*			cis	-164.6	165.2	8.6	-169.7	177.5	-177.5	-179	1.1	106.9
282	R	26.6	Very low	26.7	Very low	238 Å²	238	159 Å²	159	90%	0.898	77%	0.774	S	S	*	*			trans	77.4	156	-175.5	-56.1	174.5	174.2	170	-2.2	112.3
283	S	25.2	Very low	26.6	Very low	94 Å²	94	155.5 Å²	155.5	66%	0.657	77%	0.773	S	S	*	*			cis	-171.5	162.2	-23.5	-89.2	0	0	0	0	107.6
284	L	27	Very low	27.5	Very low	147 Å²	147	152.9 Å²	152.9	77%	0.77	77%	0.772	S	S	*	*			cis	-169.7	162.6	-23.5	-88.8	173.3	0	0	0	103.7
285	R	25.1	Very low	27.6	Very low	198 Å²	198	149.2 Å²	149.2	75%	0.747	77%	0.77	S	S	*	*			cis	-163.6	152.7	10.3	-142.9	175.2	-174.5	177.7	1.1	108
286	R	24.8	Very low	27.9	Very low	219 Å²	219	148.6 Å²	148.6	83%	0.826	77%	0.774	S	S	*	*			trans	66.3	153.5	160.8	-73.7	178.2	167.4	-179	-7.6	117.5
287	S	25.3	Very low	28	Very low	91 Å²	91	144.8 Å²	144.8	64%	0.636	77%	0.767	S	S	*	*			cis	169.6	147	-29.1	49.1	0	0	0	0	107.6
288	N	23.5	Very low	27.9	Very low	139 Å²	139	147.4 Å²	147.4	74%	0.743	78%	0.777	S	S	*	*			cis	-163.3	151.4	1.8	-112.2	44.4	0	0	0	108.7
289	S	27.1	Very low	28.2	Very low	91 Å²	91	146 Å²	146	64%	0.636	77%	0.769	S	S	*	*				33.8	139	108.5	81.1	0	0	0	0	117.3
290	I	28.2	Very low	28.1	Very low	162 Å²	162	148.1 Å²	148.1	83%	0.831	77%	0.773	S	S	*	*			cis	-157.3	170.1	47.2	-83.4	168.5	0	0	0	111
291	S	33.8	Very low	27.8	Very low	104 Å²	104	145.3 Å²	145.3	73%	0.727	77%	0.769	S	S	*	*			trans	-110.8	152.8	174	55.3	0	0	0	0	115.4
292	R	26.5	Very low	27.8	Very low	251 Å²	251	140.4 Å²	140.4	95%	0.947	77%	0.766	S	S	*	*			trans	-172	179.8	158.7	-109.3	166.1	-165.8	-120.7	0.4	113.6
293	S	24.5	Very low	27.8	Very low	115 Å²	115	136.4 Å²	136.4	80%	0.804	76%	0.762	S	S	*	*			trans	-102.9	-155.4	-159.3	-46.2	0	0	0	0	115
294	P	43.5	Very low	27.8	Very low	128 Å²	128	140.1 Å²	140.1	83%	0.831	77%	0.774	S	S	*	*				-124.2	156.4	-116.4	37	-17.6	0	0	0	119.4
295	G	26.7	Very low	27.8	Very low	75 Å²	75	142 Å²	142	77%	0.773	78%	0.776	S	S	*	*			trans	86.2	164.5	164	0	0	0	0	0	116.9
296	P	32.6	Very low	28.1	Very low	122 Å²	122	137.4 Å²	137.4	79%	0.792	77%	0.774	S	S	*	*			cis	-132.6	-179.1	-3.4	41.4	-23.7	0	0	0	116.7
297	S	24.4	Very low	28.5	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	77%	0.766	S	S	*	*			trans	56.8	100.8	151	62	0	0	0	0	124.5
298	S	23.9	Very low	28.5	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	77%	0.77	S	S	*	*				54.1	167.1	127.4	74.2	0	0	0	0	123.3
299	P	39.6	Very low	29.2	Very low	110 Å²	110	137.9 Å²	137.9	71%	0.714	77%	0.771	S	S	*	*			cis	-126.3	-167.3	-19.3	36.4	-17.7	0	0	0	113.8
300	K	24.4	Very low	29.4	Very low	180 Å²	180	138.8 Å²	138.8	78%	0.783	78%	0.777	S	S	*	*			trans	77.9	145.8	177.3	-53.5	-175.7	178.6	-165.2	0	115.6
301	E	24	Very low	29.5	Very low	153 Å²	153	142.2 Å²	142.2	72%	0.715	78%	0.78	S	S	*	*			cis	-150.6	167.5	-11.4	-116.8	169.5	-137.3	0	0	108.1	L303	E301-L303 PolarHBondContact O-N 2.82Å
302	P	26.7	Very low	29.6	Very low	120 Å²	120	143.6 Å²	143.6	78%	0.779	79%	0.79	S	S	*	*			trans	-77.7	126	-162.5	30.1	-34.5	0	0	0	114.5
303	L	26.1	Very low	29.6	Very low	155 Å²	155	138.7 Å²	138.7	81%	0.812	78%	0.778	S	S	*	*			trans	-89.1	121.3	172.4	-70.1	176.6	0	0	0	111.8	E301 F305	E301-L303 PolarHBondContact O-N 2.82Å; L303-F305 PolarHBondContact O-N 3.07Å
304	L	27.2	Very low	30	Very low	172 Å²	172	138.6 Å²	138.6	90%	0.901	78%	0.777	S	S	*	*			trans	-68.6	107	174.2	-65.7	169.6	0	0	0	110.9	S306	L304-S306 VanDerWaalsContact C-N 3.29Å; L304-S306 PolarHBondContact O-N 3.21Å
305	F	26.9	Very low	29.4	Very low	185 Å²	185	138.7 Å²	138.7	81%	0.811	77%	0.77	S	S	*	*			trans	-76.1	73.3	177.1	-96.6	-83.2	0	0	0	112.9	L303 R307	L303-F305 PolarHBondContact O-N 3.07Å; F305-R307 PolarHBondContact O-N 3.13Å
306	S	29.6	Very low	29.7	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	78%	0.775	S	S	*	*			trans	-70.6	92.8	161.6	178.6	0	0	0	0	109.5	L304	L304-S306 VanDerWaalsContact C-N 3.29Å; L304-S306 PolarHBondContact O-N 3.21Å
307	R	33.3	Very low	29.4	Very low	175 Å²	175	145.9 Å²	145.9	66%	0.66	77%	0.774	S	S	*	*			trans	-100.7	104.9	-178	-166.2	172.6	-177.5	175.9	-0.1	110.7	F305 I309	F305-R307 PolarHBondContact O-N 3.13Å; R307-I309 PolarHBondContact O-N 2.88Å
308	D	26.8	Very low	29.7	Very low	132 Å²	132	146.7 Å²	146.7	71%	0.706	78%	0.78	S	S	*	*			trans	-65.3	129	179.4	-81.8	-57.5	0	0	0	112.2	S310	D308-S310 VanDerWaalsContact C-N 3.35Å
309	I	37.9	Very low	30.2	Very low	152 Å²	152	146 Å²	146	78%	0.779	78%	0.775	S	S	*	*			trans	-92.5	6.6	-173.7	-79	167.9	0	0	0	112.7	R307 R311	R307-I309 PolarHBondContact O-N 2.88Å; I309-R311 PolarHBondContact O-N 3.27Å
310	S	32.1	Very low	30.2	Very low	109 Å²	109	146 Å²	146	76%	0.762	78%	0.777	S	S	*	*			trans	-97.9	51.9	-170.6	-61.7	0	0	0	0	114.7	D308	D308-S310 VanDerWaalsContact C-N 3.35Å
311	R	30.3	Very low	31.1	Very low	235 Å²	235	146.4 Å²	146.4	89%	0.887	78%	0.775	S	S	*	*	S	Bend	trans	-164.7	148.8	160.3	-108.8	152.7	-171.1	173.1	2.5	112.3	I309 E313	I309-R311 PolarHBondContact O-N 3.27Å; R311-E313 PolarHBondContact O-N 2.87Å
312	S	34.5	Very low	31.9	Very low	133 Å²	133	144 Å²	144	93%	0.93	78%	0.775	S	S	*	*			trans	-81	74.9	-175.5	-51.2	0	0	0	0	112.7
313	E	27.8	Very low	33.6	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.692	75%	0.75	S	S	*	*			trans	-80	134.2	167.6	-69.2	-168.2	153.9	0	0	111.4	R311 L315	R311-E313 PolarHBondContact O-N 2.87Å; E313-L315 PolarHBondContact O-N 2.87Å
314	S	31.1	Very low	35.5	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	73%	0.73	S	S	*	*			trans	-79.3	82.8	-178.8	-168	0	0	0	0	111	R316	S314-R316 VanDerWaalsContact C-N 3.26Å; S314-R316 PolarHBondContact O-N 3.01Å
315	L	31.5	Very low	37.9	Very low	130 Å²	130	136 Å²	136	68%	0.681	72%	0.721	S	S	*	*			trans	-72.7	73.2	179.6	-65.7	178.9	0	0	0	112.5	E313 C317	E313-L315 PolarHBondContact O-N 2.87Å; L315-C317 PolarHBondContact O-N 2.96Å
316	R	32.4	Very low	40.5	Very low	234 Å²	234	127.6 Å²	127.6	88%	0.883	69%	0.685	S	S	*	*			trans	-70	71.9	155.1	-71	-167.4	-179.6	-162.7	2.2	109.3	S314 S318	S314-R316 VanDerWaalsContact C-N 3.26Å; S314-R316 PolarHBondContact O-N 3.01Å; R316-S318 PolarHBondContact O-N 2.93Å
317	C	26.5	Very low	43	Very low	113 Å²	113	131 Å²	131	76%	0.764	68%	0.681	S	S	*	*			trans	-66.9	122.8	174.8	-168	0	0	0	0	109.6	L315	L315-C317 PolarHBondContact O-N 2.96Å
318	S	31.8	Very low	45.3	Very low	116 Å²	116	125 Å²	125	81%	0.811	67%	0.666	S	S	*	*			trans	-110.5	71	-172.6	-177.1	0	0	0	0	112.7	R316	R316-S318 PolarHBondContact O-N 2.93Å
319	S	32.9	Very low	48.2	Very low	99 Å²	99	122.5 Å²	122.5	69%	0.692	66%	0.657	S	S	*	*	S	Bend	trans	-173.4	145.7	147.6	44.2	0	0	0	0	112.4
320	S	40.9	Very low	50.5	Low	109 Å²	109	117.5 Å²	117.5	76%	0.762	63%	0.632	S	S	*	*	S	Bend	trans	52.8	104.9	162.2	-60.2	0	0	0	0	119.3
321	Y	42.7	Very low	53.3	Low	189 Å²	189	112.5 Å²	112.5	74%	0.741	60%	0.597	S	S	*	*			trans	58.9	72.8	168.1	-65.9	-77.5	0	0	0	116.5	Q323	Y321-Q323 PolarHBondContact O-N 2.67Å; Y321-Q323 VanDerWaalsContact O-N 3.15Å
322	S	41.7	Very low	56.3	Low	101 Å²	101	105.8 Å²	105.8	71%	0.706	58%	0.578	S	S	*	*			trans	-56.5	115.7	152.8	41.4	0	0	0	0	110	Q324	S322-Q324 WeakPolarHBondContact O-CG 3.24Å
323	Q	60.9	Low	59.1	Low	55 Å²	55	103.9 Å²	103.9	26%	0.257	55%	0.554	S	S	.	*			trans	-59.5	138.5	176	-68.1	147.3	-16.7	0	0	110.8	Y321 R381 I392	Y321-Q323 PolarHBondContact O-N 2.67Å; Y321-Q323 VanDerWaalsContact O-N 3.15Å; Q323-R381 PolarHBondContact NE2-O 2.87Å; Q323-R381 VanDerWaalsContact OE1-CB 3.28Å; Q323-R381 VanDerWaalsContact OE1-CG 3.31Å; Q323-R381 PolarHBondContact OE1-O 3.18Å; Q323-I392 VanDerWaalsContact CA-O 3.29Å; Q323-I392 WeakPolarHBondContact CA-O 3.47Å; Q323-I392 VanDerWaalsContact CB-O 3.29Å; Q323-I392 WeakPolarHBondContact CB-O 3.49Å
324	Q	67.1	Low	62.1	Low	84 Å²	84	99.1 Å²	99.1	39%	0.393	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	152.3	-159.1	-56.4	-178	-18	0	0	112.3	S322 F326 I392 G393 V394	S322-Q324 WeakPolarHBondContact O-CG 3.24Å; Q324-F326 HydrophobicContact CB-CD2 4.11Å; Q324-F326 HydrophobicContact CB-CE1 4.4Å; Q324-F326 HydrophobicContact CB-CE2 3.64Å; Q324-F326 HydrophobicContact CB-CZ 3.81Å; Q324-F326 HydrophobicContact CG-CZ 4.45Å; Q324-I392 PolarHBondContact N-O 3.45Å; Q324-I392 VanDerWaalsContact N-O 3.1Å; Q324-G393 WeakPolarHBondContact O-CA 3.36Å; Q324-V394 PolarHBondContact O-N 2.86Å
325	I	77.2	Confident	64.9	Low	141 Å²	141	98.8 Å²	98.8	72%	0.723	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.8	163.4	-59.4	175.3	0	0	0	105.6	V394	I325-V394 WeakPolarHBondContact CA-O 3.32Å; I325-V394 HydrophobicContact CG1-CG2 4.13Å
326	F	80.8	Confident	67.7	Low	8 Å²	8	96 Å²	96	4%	0.035	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	142	-177.9	-64.9	-94.7	0	0	0	110.5	Q324 L331 H350 M357 I392 V394 L395 L404	Q324-F326 HydrophobicContact CB-CD2 4.11Å; Q324-F326 HydrophobicContact CB-CE1 4.4Å; Q324-F326 HydrophobicContact CB-CE2 3.64Å; Q324-F326 HydrophobicContact CB-CZ 3.81Å; Q324-F326 HydrophobicContact CG-CZ 4.45Å; F326-L331 HydrophobicContact CB-CD1 4.46Å; F326-L331 HydrophobicContact CD1-CD2 3.94Å; F326-L331 HydrophobicContact CE1-CD2 4.47Å; F326-H350 AromaticContact CD1-CD2 3.95Å; F326-H350 AromaticContact CE1-CD2 3.89Å; F326-M357 HydrophobicContact CD1-CE 4.39Å; F326-M357 HydrophobicContact CE1-CE 3.83Å; F326-M357 HydrophobicContact CE1-SD 4.39Å; F326-M357 HydrophobicContact CZ-CE 3.91Å; F326-M357 HydrophobicContact CZ-SD 3.93Å; F326-I392 HydrophobicContact CE2-CG2 4.01Å; F326-I392 HydrophobicContact CZ-CG2 3.96Å; F326-V394 PolarHBondContact N-O 3.36Å; F326-L395 HydrophobicContact CB-CB 4.34Å; F326-L395 HydrophobicContact CB-CD1 4.24Å; F326-L395 WeakPolarHBondContact O-CG 3.45Å; F326-L404 HydrophobicContact CB-CD1 3.83Å; F326-L404 HydrophobicContact CD2-CD1 3.23Å; F326-L404 HydrophobicContact CE2-CD1 3.85Å; F326-L404 HydrophobicContact CG-CD1 3.67Å
327	R	82.4	Confident	70.1	Confident	174 Å²	174	88.4 Å²	88.4	66%	0.657	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-88.5	151.1	172	-54.5	175.8	171.8	-153.9	-7.7	109.8	C329 D330	R327-C329 VanDerWaalsContact CB-SG 3.57Å; R327-C329 PolarHBondContact O-N 2.91Å; R327-C329 VanDerWaalsContact O-N 3.11Å; R327-D330 WeakPolarHBondContact CA-OD2 3.4Å; R327-D330 VanDerWaalsContact CB-OD2 3.25Å; R327-D330 WeakPolarHBondContact CB-OD2 3.47Å; R327-D330 WeakPolarHBondContact CG-OD2 3.04Å; R327-D330 PolarHBondContact N-OD2 3.28Å; R327-D330 WeakPolarHBondContact O-CB 3.39Å; R327-D330 PolarHBondContact O-N 3.45Å
328	P	83.1	Confident	72.3	Confident	51 Å²	51	84.6 Å²	84.6	33%	0.331	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-53.7	-30.2	173	-28.3	36.1	0	0	0	114.5	L395 K397	P328-L395 HydrophobicContact CG-CD2 4.23Å; P328-K397 HydrophobicContact CB-CD 4Å; P328-K397 HydrophobicContact CB-CG 4.41Å; P328-K397 HydrophobicContact CG-CB 3.96Å; P328-K397 HydrophobicContact CG-CD 3.9Å; P328-K397 HydrophobicContact CG-CG 3.78Å
329	C	85.9	Confident	74.1	Confident	78 Å²	78	87 Å²	87	53%	0.527	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-76.4	-17.5	177.5	51.9	0	0	0	0	114.1	R327 L331 K351	R327-C329 VanDerWaalsContact CB-SG 3.57Å; R327-C329 PolarHBondContact O-N 2.91Å; R327-C329 VanDerWaalsContact O-N 3.11Å; C329-L331 VanDerWaalsContact C-N 3.35Å; C329-K351 WeakPolarHBondContact O-CD 3.32Å; C329-K351 VanDerWaalsContact O-CE 3.27Å; C329-K351 WeakPolarHBondContact O-CE 3.23Å; C329-K351 PolarHBondContact O-NZ 3.39Å
330	D	87.2	Confident	75.3	Confident	47 Å²	47	84.8 Å²	84.8	25%	0.251	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-80	-18	-177.8	-55	-26.5	0	0	0	112.5	R327 H350 K351	R327-D330 WeakPolarHBondContact CA-OD2 3.4Å; R327-D330 VanDerWaalsContact CB-OD2 3.25Å; R327-D330 WeakPolarHBondContact CB-OD2 3.47Å; R327-D330 WeakPolarHBondContact CG-OD2 3.04Å; R327-D330 PolarHBondContact N-OD2 3.28Å; R327-D330 WeakPolarHBondContact O-CB 3.39Å; R327-D330 PolarHBondContact O-N 3.45Å; D330-H350 PolarHBondContact O-CD2 2.91Å; D330-K351 WeakPolarHBondContact O-CG 3.42Å; D330-K351 PolarHBondContact O-N 3.04Å
331	L	91.5	Very high	75.8	Confident	5 Å²	5	88.6 Å²	88.6	3%	0.026	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126	-172.1	-56.6	-172.1	0	0	0	112.6	F326 C329 H333 V348 H350 M357 L395 L404	F326-L331 HydrophobicContact CB-CD1 4.46Å; F326-L331 HydrophobicContact CD1-CD2 3.94Å; F326-L331 HydrophobicContact CE1-CD2 4.47Å; C329-L331 VanDerWaalsContact C-N 3.35Å; L331-H333 PolarHBondContact O-ND1 2.98Å; L331-V348 HydrophobicContact CB-CB 4.37Å; L331-V348 HydrophobicContact CD1-CB 4.26Å; L331-V348 HydrophobicContact CD1-CG2 4.01Å; L331-H350 HydrophobicContact CD2-CB 4.06Å; L331-M357 HydrophobicContact CD2-CE 3.65Å; L331-L395 HydrophobicContact CD1-CD1 3.48Å; L331-L395 VanDerWaalsContact CD1-CD1 3.48Å; L331-L395 HydrophobicContact CG-CD1 4.14Å; L331-L404 HydrophobicContact CD1-CD1 4.01Å; L331-L404 HydrophobicContact CD1-CD2 3.84Å
332	I	93.2	Very high	76.3	Confident	93 Å²	93	82.1 Å²	82.1	48%	0.477	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128	162.8	-57.7	172.8	0	0	0	107.3	V348 T349 K351	I332-V348 CarbonylContact O-C 3.5Å; I332-V348 VanDerWaalsContact O-CA 3.26Å; I332-V348 WeakPolarHBondContact O-CA 3.33Å; I332-T349 PolarHBondContact N-O 2.91Å; I332-T349 PolarHBondContact O-N 2.89Å; I332-K351 HydrophobicContact CD1-CG 4.04Å; I332-K351 HydrophobicContact CG1-CD 4.3Å; I332-K351 HydrophobicContact CG1-CG 3.68Å
333	H	92.6	Very high	77.6	Confident	93 Å²	93	77.8 Å²	77.8	43%	0.431	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.6	175	-64.9	48.4	0	0	0	109.2	L331	L331-H333 PolarHBondContact O-ND1 2.98Å
334	G	91.2	Very high	78.5	Confident	49 Å²	49	77.8 Å²	77.8	51%	0.505	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-142.7	176.5	0	0	0	0	0	112	K347	G334-K347 WeakPolarHBondContact CA-O 3.43Å; G334-K347 PolarHBondContact N-O 3.16Å
335	E	90.6	Very high	79.4	Confident	106 Å²	106	75 Å²	75	50%	0.495	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	149.1	-179.1	68.1	-154.9	146.4	0	0	113.6	L337 K347	E335-L337 HydrophobicContact CG-CD2 3.96Å; E335-L337 PolarHBondContact O-N 2.87Å; E335-K347 HydrophobicContact CG-CB 4Å; E335-K347 HydrophobicContact CG-CD 3.87Å; E335-K347 PolarHBondContact O-N 3.2Å; E335-K347 WeakPolarHBondContact OE1-CD 3.48Å; E335-K347 WeakPolarHBondContact OE1-CE 3.46Å; E335-K347 IonicContact OE1-NZ 3.76Å; E335-K347 PolarHBondContact OE1-NZ 2.89Å
336	V	89.4	Confident	80	Confident	70 Å²	70	68.8 Å²	68.8	42%	0.424	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.7	170.7	179.6	0	0	0	0	108.1	K339 Q344 A345	V336-K339 HydrophobicContact CG1-CG 3.91Å; V336-Q344 HydrophobicContact CG1-CB 4.27Å; V336-A345 CarbonylContact C-O 3.57Å
337	L	83.6	Confident	80.6	Confident	76 Å²	76	70.6 Å²	70.6	40%	0.398	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-26	-178.1	-62.9	172.1	0	0	0	112.4	E335 A345 K347 V358 Y407	E335-L337 HydrophobicContact CG-CD2 3.96Å; E335-L337 PolarHBondContact O-N 2.87Å; L337-A345 PolarHBondContact N-O 2.85Å; L337-K347 HydrophobicContact CD1-CB 4Å; L337-K347 HydrophobicContact CD2-CB 4.31Å; L337-K347 HydrophobicContact CD2-CD 4.44Å; L337-K347 HydrophobicContact CG-CB 4.06Å; L337-V358 HydrophobicContact CD1-CB 4.48Å; L337-V358 HydrophobicContact CD1-CG1 4.13Å; L337-V358 HydrophobicContact CD1-CG2 3.59Å; L337-Y407 HydrophobicContact CD1-CD2 3.97Å; L337-Y407 HydrophobicContact CD1-CE2 3.78Å; L337-Y407 HydrophobicContact CD2-CE2 4.05Å
338	G	71.4	Confident	81.2	Confident	33 Å²	33	62.3 Å²	62.3	34%	0.34	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	156.2	177.1	0	0	0	0	0	113.2	Q344 A345	G338-Q344 WeakPolarHBondContact O-CA 3.37Å; G338-A345 PolarHBondContact N-O 3.4Å; G338-A345 PolarHBondContact O-N 2.8Å
339	K	70	Confident	81.7	Confident	166 Å²	166	62 Å²	62	72%	0.722	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.8	171.3	-65.4	-175.8	176.8	179.3	0	108.1	V336 Q344	V336-K339 HydrophobicContact CG1-CG 3.91Å; K339-Q344 HydrophobicContact CG-CB 4.08Å
340	G	58.9	Low	82.1	Confident	52 Å²	52	59.3 Å²	59.3	54%	0.536	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	179.6	-179.7	0	0	0	0	0	111.7	F342 G343	G340-F342 PolarHBondContact O-N 2.72Å; G340-F342 VanDerWaalsContact O-N 3.11Å; G340-G343 PolarHBondContact N-O 2.73Å; G340-G343 PolarHBondContact O-N 3.33Å; G340-G343 VanDerWaalsContact O-N 3.09Å; G340-G343 VanDerWaalsContact O-O 3.08Å
341	F	50.8	Low	82.3	Confident	190 Å²	190	62.9 Å²	62.9	83%	0.833	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.7	-176.5	-174.1	-96	0	0	0	113.8
342	F	53.8	Low	82.1	Confident	53 Å²	53	66.8 Å²	66.8	23%	0.232	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.2	-177.6	-59.3	-70.1	0	0	0	114.7	G340 I363 L472	G340-F342 PolarHBondContact O-N 2.72Å; G340-F342 VanDerWaalsContact O-N 3.11Å; F342-I363 PolarHBondContact O-N 3.42Å; F342-L472 HydrophobicContact CE1-CD1 4.4Å; F342-L472 HydrophobicContact CE1-CD2 3.58Å; F342-L472 HydrophobicContact CE1-CG 3.88Å; F342-L472 HydrophobicContact CE2-CD1 3.85Å; F342-L472 HydrophobicContact CE2-CD2 4.47Å; F342-L472 HydrophobicContact CE2-CG 3.89Å; F342-L472 HydrophobicContact CZ-CD1 3.46Å; F342-L472 VanDerWaalsContact CZ-CD1 3.46Å; F342-L472 HydrophobicContact CZ-CD2 3.49Å; F342-L472 VanDerWaalsContact CZ-CD2 3.49Å; F342-L472 HydrophobicContact CZ-CG 3.37Å
343	G	68.9	Low	82.1	Confident	10 Å²	10	67 Å²	67	10%	0.103	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.1	-163.8	-174.1	0	0	0	0	0	113.2	G340	G340-G343 PolarHBondContact N-O 2.73Å; G340-G343 PolarHBondContact O-N 3.33Å; G340-G343 VanDerWaalsContact O-N 3.09Å; G340-G343 VanDerWaalsContact O-O 3.08Å
344	Q	79.3	Confident	82	Confident	55 Å²	55	64.9 Å²	64.9	26%	0.257	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	142.3	178.4	62.4	-176.2	3.5	0	0	111.9	V336 G338 K339 I346 K360 E361	V336-Q344 HydrophobicContact CG1-CB 4.27Å; G338-Q344 WeakPolarHBondContact O-CA 3.37Å; K339-Q344 HydrophobicContact CG-CB 4.08Å; Q344-I346 HydrophobicContact CG-CD1 4.11Å; Q344-I346 HydrophobicContact CG-CG1 4.04Å; Q344-K360 WeakPolarHBondContact O-CA 3.33Å; Q344-E361 HydrophobicContact CG-CG 4.28Å; Q344-E361 PolarHBondContact NE2-OE1 3.36Å; Q344-E361 PolarHBondContact O-N 3.17Å; Q344-E361 VanDerWaalsContact O-N 3.07Å
345	A	85.7	Confident	82.1	Confident	26 Å²	26	66.2 Å²	66.2	22%	0.215	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.4	171	0	0	0	0	0	108.7	V336 L337 G338 V358 M359	V336-A345 CarbonylContact C-O 3.57Å; L337-A345 PolarHBondContact N-O 2.85Å; G338-A345 PolarHBondContact N-O 3.4Å; G338-A345 PolarHBondContact O-N 2.8Å; A345-V358 HydrophobicContact CB-CG1 4.04Å; A345-M359 CarbonylContact C-O 3.49Å; A345-M359 WeakPolarHBondContact CA-O 3.34Å
346	I	89.8	Confident	82.2	Confident	10 Å²	10	63.8 Å²	63.8	5%	0.051	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.2	-174.8	-40.9	-179.9	0	0	0	108.6	Q344 V348 V358 M359	Q344-I346 HydrophobicContact CG-CD1 4.11Å; Q344-I346 HydrophobicContact CG-CG1 4.04Å; I346-V348 HydrophobicContact CB-CG1 4.48Å; I346-V348 HydrophobicContact CG2-CG1 4.48Å; I346-V358 WeakPolarHBondContact O-CA 3.12Å; I346-M359 HydrophobicContact CD1-CE 4Å; I346-M359 PolarHBondContact N-O 3.35Å; I346-M359 PolarHBondContact O-N 2.86Å
347	K	93	Very high	82.4	Confident	45 Å²	45	60.5 Å²	60.5	20%	0.196	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.4	168.8	-168.4	173.4	179.9	166.8	0	108.6	G334 E335 L337 V356 Y407	G334-K347 WeakPolarHBondContact CA-O 3.43Å; G334-K347 PolarHBondContact N-O 3.16Å; E335-K347 HydrophobicContact CG-CB 4Å; E335-K347 HydrophobicContact CG-CD 3.87Å; E335-K347 PolarHBondContact O-N 3.2Å; E335-K347 WeakPolarHBondContact OE1-CD 3.48Å; E335-K347 WeakPolarHBondContact OE1-CE 3.46Å; E335-K347 IonicContact OE1-NZ 3.76Å; E335-K347 PolarHBondContact OE1-NZ 2.89Å; L337-K347 HydrophobicContact CD1-CB 4Å; L337-K347 HydrophobicContact CD2-CB 4.31Å; L337-K347 HydrophobicContact CD2-CD 4.44Å; L337-K347 HydrophobicContact CG-CB 4.06Å; K347-V356 HydrophobicContact CD-CG1 4.44Å; K347-V356 HydrophobicContact CG-CG1 3.83Å; K347-Y407 HydrophobicContact CD-CE1 4.27Å; K347-Y407 HydrophobicContact CD-CE2 4.26Å; K347-Y407 VanDerWaalsContact CE-CE1 3.45Å; K347-Y407 HydrophobicContact CG-CE2 4.49Å; K347-Y407 PolarHBondContact NZ-OH 3.14Å
348	V	94.4	Very high	82.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.5	-178.1	-63.4	0	0	0	0	111.2	L331 I332 I346 V356 M357 M359 L404	L331-V348 HydrophobicContact CB-CB 4.37Å; L331-V348 HydrophobicContact CD1-CB 4.26Å; L331-V348 HydrophobicContact CD1-CG2 4.01Å; I332-V348 CarbonylContact O-C 3.5Å; I332-V348 VanDerWaalsContact O-CA 3.26Å; I332-V348 WeakPolarHBondContact O-CA 3.33Å; I346-V348 HydrophobicContact CB-CG1 4.48Å; I346-V348 HydrophobicContact CG2-CG1 4.48Å; V348-V356 CarbonylContact O-C 3.54Å; V348-V356 WeakPolarHBondContact O-CA 2.98Å; V348-M357 HydrophobicContact CG2-CB 3.98Å; V348-M357 HydrophobicContact CG2-CE 4.48Å; V348-M357 PolarHBondContact N-O 3.19Å; V348-M357 PolarHBondContact O-N 2.92Å; V348-M359 HydrophobicContact CG1-CB 3.78Å; V348-M359 HydrophobicContact CG2-CB 4.03Å; V348-L404 HydrophobicContact CG2-CD2 3.68Å
349	T	94.9	Very high	83.7	Confident	44 Å²	44	56.5 Å²	56.5	27%	0.27	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123	-179.7	-54.1	0	0	0	0	110.1	I332 K351 G354 K355 V356	I332-T349 PolarHBondContact N-O 2.91Å; I332-T349 PolarHBondContact O-N 2.89Å; T349-K351 PolarHBondContact O-N 3.09Å; T349-G354 WeakPolarHBondContact CG2-O 3.32Å; T349-K355 WeakPolarHBondContact CA-O 3.28Å; T349-V356 HydrophobicContact CG2-CG2 4.46Å
350	H	93.4	Very high	84.3	Confident	22 Å²	22	50.1 Å²	50.1	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.2	178.3	-179.8	-123.9	0	0	0	111.3	F326 D330 L331 A352 T353 G354 K355 M357	F326-H350 AromaticContact CD1-CD2 3.95Å; F326-H350 AromaticContact CE1-CD2 3.89Å; D330-H350 PolarHBondContact O-CD2 2.91Å; L331-H350 HydrophobicContact CD2-CB 4.06Å; H350-A352 PolarHBondContact O-N 3.24Å; H350-T353 PolarHBondContact ND1-OG1 2.77Å; H350-T353 PolarHBondContact O-N 3.02Å; H350-G354 WeakPolarHBondContact O-CA 3.37Å; H350-G354 PolarHBondContact O-N 3.44Å; H350-K355 HydrophobicContact CB-CB 4.5Å; H350-K355 PolarHBondContact N-O 2.88Å; H350-M357 HydrophobicContact CB-CE 3.96Å
351	K	91.1	Very high	85.1	Confident	123 Å²	123	49 Å²	49	54%	0.535	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-42	-171	-72.1	177.8	-174.4	170.7	0	113.8	C329 D330 I332 T349	C329-K351 WeakPolarHBondContact O-CD 3.32Å; C329-K351 VanDerWaalsContact O-CE 3.27Å; C329-K351 WeakPolarHBondContact O-CE 3.23Å; C329-K351 PolarHBondContact O-NZ 3.39Å; D330-K351 WeakPolarHBondContact O-CG 3.42Å; D330-K351 PolarHBondContact O-N 3.04Å; I332-K351 HydrophobicContact CD1-CG 4.04Å; I332-K351 HydrophobicContact CG1-CD 4.3Å; I332-K351 HydrophobicContact CG1-CG 3.68Å; T349-K351 PolarHBondContact O-N 3.09Å
352	A	89.2	Confident	85.8	Confident	86 Å²	86	41.8 Å²	41.8	71%	0.711	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.1	-172.9	0	0	0	0	0	114.2	H350	H350-A352 PolarHBondContact O-N 3.24Å
353	T	91.4	Very high	85.8	Confident	98 Å²	98	44.6 Å²	44.6	60%	0.601	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	-2.6	-178.5	65.7	0	0	0	0	114.8	H350 K355	H350-T353 PolarHBondContact ND1-OG1 2.77Å; H350-T353 PolarHBondContact O-N 3.02Å; T353-K355 PolarHBondContact O-N 2.93Å; T353-K355 VanDerWaalsContact O-N 3.1Å; T353-K355 WeakPolarHBondContact OG1-CB 3.5Å
354	G	91.4	Very high	85	Confident	49 Å²	49	54.5 Å²	54.5	51%	0.505	29%	0.292	S	S	.	.			trans	66	3.7	-174.2	0	0	0	0	0	114.9	T349 H350 V356	T349-G354 WeakPolarHBondContact CG2-O 3.32Å; H350-G354 WeakPolarHBondContact O-CA 3.37Å; H350-G354 PolarHBondContact O-N 3.44Å; G354-V356 PolarHBondContact O-N 3.06Å
355	K	92.1	Very high	83.6	Confident	77 Å²	77	54.5 Å²	54.5	34%	0.335	30%	0.297	S	S	.	.			trans	-69.6	121.9	-173.6	-174.1	176.4	-178.3	177.9	0	111.3	T349 H350 T353 M357	T349-K355 WeakPolarHBondContact CA-O 3.28Å; H350-K355 HydrophobicContact CB-CB 4.5Å; H350-K355 PolarHBondContact N-O 2.88Å; T353-K355 PolarHBondContact O-N 2.93Å; T353-K355 VanDerWaalsContact O-N 3.1Å; T353-K355 WeakPolarHBondContact OG1-CB 3.5Å; K355-M357 HydrophobicContact CD-CG 4.37Å; K355-M357 HydrophobicContact CD-SD 4.37Å; K355-M357 HydrophobicContact CG-CG 4.1Å
356	V	94	Very high	82.2	Confident	55 Å²	55	57 Å²	57	33%	0.333	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.2	171.9	-171.8	0	0	0	0	110.1	K347 V348 T349 G354 Y407	K347-V356 HydrophobicContact CD-CG1 4.44Å; K347-V356 HydrophobicContact CG-CG1 3.83Å; V348-V356 CarbonylContact O-C 3.54Å; V348-V356 WeakPolarHBondContact O-CA 2.98Å; T349-V356 HydrophobicContact CG2-CG2 4.46Å; G354-V356 PolarHBondContact O-N 3.06Å; V356-Y407 HydrophobicContact CB-CD1 4.3Å; V356-Y407 HydrophobicContact CG1-CD1 3.51Å; V356-Y407 HydrophobicContact CG1-CE1 4.15Å; V356-Y407 HydrophobicContact CG1-CG 3.91Å
357	M	94.2	Very high	80.5	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	172.5	-175.3	-57.5	-178.6	-62.5	0	0	109.1	F326 L331 V348 H350 K355 I392 L404 T405	F326-M357 HydrophobicContact CD1-CE 4.39Å; F326-M357 HydrophobicContact CE1-CE 3.83Å; F326-M357 HydrophobicContact CE1-SD 4.39Å; F326-M357 HydrophobicContact CZ-CE 3.91Å; F326-M357 HydrophobicContact CZ-SD 3.93Å; L331-M357 HydrophobicContact CD2-CE 3.65Å; V348-M357 HydrophobicContact CG2-CB 3.98Å; V348-M357 HydrophobicContact CG2-CE 4.48Å; V348-M357 PolarHBondContact N-O 3.19Å; V348-M357 PolarHBondContact O-N 2.92Å; H350-M357 HydrophobicContact CB-CE 3.96Å; K355-M357 HydrophobicContact CD-CG 4.37Å; K355-M357 HydrophobicContact CD-SD 4.37Å; K355-M357 HydrophobicContact CG-CG 4.1Å; M357-I392 HydrophobicContact CB-CD1 4.44Å; M357-I392 HydrophobicContact CG-CD1 3.76Å; M357-I392 HydrophobicContact SD-CB 4.44Å; M357-I392 HydrophobicContact SD-CD1 3.79Å; M357-I392 HydrophobicContact SD-CG2 3.85Å; M357-L404 HydrophobicContact CE-CD2 4.47Å; M357-T405 WeakPolarHBondContact CA-O 3.13Å; M357-T405 WeakPolarHBondContact CB-O 3.23Å
358	V	91.6	Very high	78.6	Confident	19 Å²	19	69 Å²	69	12%	0.115	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.1	169.9	-177.8	0	0	0	0	109.6	L337 A345 I346 L404 T405 Y407	L337-V358 HydrophobicContact CD1-CB 4.48Å; L337-V358 HydrophobicContact CD1-CG1 4.13Å; L337-V358 HydrophobicContact CD1-CG2 3.59Å; A345-V358 HydrophobicContact CB-CG1 4.04Å; I346-V358 WeakPolarHBondContact O-CA 3.12Å; V358-L404 VanDerWaalsContact O-CA 3.32Å; V358-L404 WeakPolarHBondContact O-CA 3.31Å; V358-T405 PolarHBondContact N-O 3.34Å; V358-T405 PolarHBondContact O-N 3.07Å; V358-Y407 HydrophobicContact CG2-CD2 3.67Å; V358-Y407 HydrophobicContact CG2-CG 4.34Å
359	M	89.1	Confident	76.6	Confident	6 Å²	6	71.8 Å²	71.8	3%	0.03	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.2	169.7	-169.9	175.5	69.8	0	0	109.7	A345 I346 V348 L395 N402 L403 L404	A345-M359 CarbonylContact C-O 3.49Å; A345-M359 WeakPolarHBondContact CA-O 3.34Å; I346-M359 HydrophobicContact CD1-CE 4Å; I346-M359 PolarHBondContact N-O 3.35Å; I346-M359 PolarHBondContact O-N 2.86Å; V348-M359 HydrophobicContact CG1-CB 3.78Å; V348-M359 HydrophobicContact CG2-CB 4.03Å; M359-L395 HydrophobicContact SD-CD1 4.08Å; M359-L395 HydrophobicContact SD-CD2 4.14Å; M359-N402 HydrophobicContact CG-CB 3.78Å; M359-N402 HydrophobicContact SD-CB 3.95Å; M359-L403 CarbonylContact C-O 3.52Å; M359-L403 WeakPolarHBondContact CA-O 3.4Å; M359-L404 HydrophobicContact CB-CD2 3.63Å; M359-L404 HydrophobicContact CG-CD2 3.94Å; M359-L404 HydrophobicContact CG-CG 4.45Å
360	K	82.8	Confident	74.9	Confident	31 Å²	31	72.6 Å²	72.6	14%	0.135	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.4	170.2	-176	173.9	174.1	179.6	0	110	Q344 N402 L403 D469	Q344-K360 WeakPolarHBondContact O-CA 3.33Å; K360-N402 CarbonylContact O-C 3.5Å; K360-N402 VanDerWaalsContact O-CA 3.32Å; K360-N402 WeakPolarHBondContact O-CA 3.36Å; K360-L403 PolarHBondContact N-O 3.04Å; K360-L403 PolarHBondContact O-N 2.84Å; K360-D469 IonicContact NZ-OD1 2.68Å; K360-D469 PolarHBondContact NZ-OD1 3.45Å; K360-D469 IonicContact NZ-OD2 2.7Å; K360-D469 PolarHBondContact NZ-OD2 3.4Å
361	E	75.8	Confident	73.2	Confident	30 Å²	30	78 Å²	78	14%	0.14	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134.8	169.6	-64	-172.5	-140.5	0	0	110.2	Q344 K400 N402	Q344-E361 HydrophobicContact CG-CG 4.28Å; Q344-E361 PolarHBondContact NE2-OE1 3.36Å; Q344-E361 PolarHBondContact O-N 3.17Å; Q344-E361 VanDerWaalsContact O-N 3.07Å; E361-K400 IonicContact OE2-NZ 2.81Å; E361-K400 PolarHBondContact OE2-NZ 2.87Å; E361-N402 WeakPolarHBondContact CA-OD1 3.39Å; E361-N402 WeakPolarHBondContact CG-OD1 3.13Å
362	L	65.1	Low	71.4	Confident	37 Å²	37	75.5 Å²	75.5	19%	0.194	40%	0.4	C	S	.	.			trans	-95.6	128	165	-97.6	82.9	0	0	0	111.5	R364 F373 L403	L362-R364 PolarHBondContact O-N 3.38Å; L362-F373 HydrophobicContact CD1-CE2 4.02Å; L362-F373 HydrophobicContact CD1-CZ 4.15Å; L362-F373 HydrophobicContact CD2-CD2 3.8Å; L362-F373 HydrophobicContact CD2-CE2 3.33Å; L362-F373 HydrophobicContact CD2-CZ 4.05Å; L362-F373 HydrophobicContact CG-CE2 4.3Å; L362-L403 HydrophobicContact CD1-CD1 3.66Å; L362-L403 HydrophobicContact CD1-CG 4.11Å
363	I	54.9	Low	70.1	Confident	112 Å²	112	72.6 Å²	72.6	57%	0.574	37%	0.371	S	S	*	.	S	Bend	trans	-93.9	71.3	174	-52.1	179.6	0	0	0	110.7	F342	F342-I363 PolarHBondContact O-N 3.42Å
364	R	52.7	Low	68.8	Low	219 Å²	219	72.6 Å²	72.6	83%	0.826	37%	0.367	S	S	*	.			trans	165.8	150	148.6	-94.9	159.9	177.1	-169.1	-3	110.9	L362	L362-R364 PolarHBondContact O-N 3.38Å
365	C	48.9	Very low	67.2	Low	54 Å²	54	74 Å²	74	37%	0.365	37%	0.366	S	S	.	.			trans	-155.8	93.4	169.5	-136	0	0	0	0	108.6
366	D	55.8	Low	65.7	Low	79 Å²	79	73.2 Å²	73.2	42%	0.422	36%	0.363	S	S	.	.			trans	-88.6	159.1	156.9	59	-85	0	0	0	108.6	E368 T369 Q370	D366-E368 PolarHBondContact O-N 3.28Å; D366-E368 VanDerWaalsContact O-N 3.12Å; D366-E368 PolarHBondContact OD2-N 2.78Å; D366-T369 PolarHBondContact N-OG1 2.88Å; D366-T369 PolarHBondContact O-N 3.44Å; D366-T369 PolarHBondContact O-OG1 2.98Å; D366-T369 WeakPolarHBondContact OD1-CB 3Å; D366-T369 VanDerWaalsContact OD1-CG2 3.23Å; D366-T369 WeakPolarHBondContact OD1-CG2 3.19Å; D366-T369 PolarHBondContact OD1-OG1 3.38Å; D366-T369 PolarHBondContact OD2-N 3.48Å; D366-T369 PolarHBondContact OD2-OG1 2.98Å; D366-Q370 WeakPolarHBondContact O-CB 3.26Å; D366-Q370 PolarHBondContact O-N 3.07Å
367	E	54.2	Low	64.6	Low	146 Å²	146	71.2 Å²	71.2	68%	0.682	35%	0.351	S	S	*	.	H	α-helix	trans	-64.3	-20.6	-172.5	-62.1	-170.5	170.5	0	0	114.2	K371	E367-K371 WeakPolarHBondContact O-CD 3.44Å; E367-K371 WeakPolarHBondContact O-CG 3.25Å
368	E	53	Low	63.3	Low	160 Å²	160	78.3 Å²	78.3	75%	0.748	38%	0.382	S	S	*	.	H	α-helix	trans	-85.3	-45.4	-179.4	-158.4	163.8	-123.3	0	0	110.5	D366 Q370 K371 T372	D366-E368 PolarHBondContact O-N 3.28Å; D366-E368 VanDerWaalsContact O-N 3.12Å; D366-E368 PolarHBondContact OD2-N 2.78Å; E368-Q370 VanDerWaalsContact C-N 3.28Å; E368-Q370 PolarHBondContact O-N 3.31Å; E368-K371 PolarHBondContact O-N 3.49Å; E368-T372 PolarHBondContact O-N 3.04Å
369	T	53	Low	62.2	Low	60 Å²	60	78.6 Å²	78.6	37%	0.368	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-30.6	169.3	59.1	0	0	0	0	112.7	D366 K371 T372 F373	D366-T369 PolarHBondContact N-OG1 2.88Å; D366-T369 PolarHBondContact O-N 3.44Å; D366-T369 PolarHBondContact O-OG1 2.98Å; D366-T369 WeakPolarHBondContact OD1-CB 3Å; D366-T369 VanDerWaalsContact OD1-CG2 3.23Å; D366-T369 WeakPolarHBondContact OD1-CG2 3.19Å; D366-T369 PolarHBondContact OD1-OG1 3.38Å; D366-T369 PolarHBondContact OD2-N 3.48Å; D366-T369 PolarHBondContact OD2-OG1 2.98Å; T369-K371 VanDerWaalsContact C-N 3.3Å; T369-K371 PolarHBondContact O-N 3.44Å; T369-T372 PolarHBondContact O-N 2.64Å; T369-T372 PolarHBondContact O-OG1 2.83Å; T369-F373 WeakPolarHBondContact O-CB 3.44Å; T369-F373 PolarHBondContact O-N 2.94Å
370	Q	59.6	Low	61.5	Low	60 Å²	60	79.3 Å²	79.3	28%	0.28	39%	0.387	S	S	.	.	H	α-helix	trans	-62.5	-37	174.7	-165.7	174.9	7.5	0	0	112.1	D366 E368 L374	D366-Q370 WeakPolarHBondContact O-CB 3.26Å; D366-Q370 PolarHBondContact O-N 3.07Å; E368-Q370 VanDerWaalsContact C-N 3.28Å; E368-Q370 PolarHBondContact O-N 3.31Å; Q370-L374 HydrophobicContact CG-CD1 4.46Å; Q370-L374 WeakPolarHBondContact O-CB 3.31Å; Q370-L374 WeakPolarHBondContact O-CG 3.41Å; Q370-L374 PolarHBondContact O-N 2.62Å
371	K	58	Low	61.1	Low	136 Å²	136	83.7 Å²	83.7	59%	0.591	40%	0.403	S	S	*	.	H	α-helix	trans	-72.1	-39.4	178.6	-72.3	163	-172.8	155.2	0	112.3	E367 E368 T369 T375	E367-K371 WeakPolarHBondContact O-CD 3.44Å; E367-K371 WeakPolarHBondContact O-CG 3.25Å; E368-K371 PolarHBondContact O-N 3.49Å; T369-K371 VanDerWaalsContact C-N 3.3Å; T369-K371 PolarHBondContact O-N 3.44Å; K371-T375 PolarHBondContact O-N 3.46Å; K371-T375 PolarHBondContact O-OG1 2.81Å
372	T	53.1	Low	61.1	Low	71 Å²	71	85.1 Å²	85.1	44%	0.436	42%	0.416	S	S	.	.	H	α-helix	trans	-67.6	-43.4	172	56.6	0	0	0	0	111	E368 T369 L374 T375 E376	E368-T372 PolarHBondContact O-N 3.04Å; T369-T372 PolarHBondContact O-N 2.64Å; T369-T372 PolarHBondContact O-OG1 2.83Å; T372-L374 PolarHBondContact O-N 2.65Å; T372-T375 CarbonylContact O-C 3.57Å; T372-T375 WeakPolarHBondContact O-CA 3.38Å; T372-T375 VanDerWaalsContact O-CB 3.26Å; T372-T375 WeakPolarHBondContact O-CB 3.19Å; T372-T375 PolarHBondContact O-N 2.82Å; T372-E376 WeakPolarHBondContact O-CG 3.38Å; T372-E376 PolarHBondContact O-N 2.85Å
373	F	62.4	Low	62.1	Low	24 Å²	24	83.9 Å²	83.9	11%	0.105	41%	0.41	C	S	.	.	H	α-helix	trans	-62.5	-41	-179.8	-174.5	-92.8	0	0	0	113	L362 T369 T375 E376 V377 L401 L403	L362-F373 HydrophobicContact CD1-CE2 4.02Å; L362-F373 HydrophobicContact CD1-CZ 4.15Å; L362-F373 HydrophobicContact CD2-CD2 3.8Å; L362-F373 HydrophobicContact CD2-CE2 3.33Å; L362-F373 HydrophobicContact CD2-CZ 4.05Å; L362-F373 HydrophobicContact CG-CE2 4.3Å; T369-F373 WeakPolarHBondContact O-CB 3.44Å; T369-F373 PolarHBondContact O-N 2.94Å; F373-T375 PolarHBondContact O-N 2.87Å; F373-E376 PolarHBondContact O-N 3.18Å; F373-V377 HydrophobicContact CD1-CG2 3.8Å; F373-V377 HydrophobicContact CE1-CG2 3.38Å; F373-V377 HydrophobicContact CZ-CG2 3.82Å; F373-V377 WeakPolarHBondContact O-CB 3.06Å; F373-V377 WeakPolarHBondContact O-CG2 3.44Å; F373-V377 PolarHBondContact O-N 3.1Å; F373-L401 HydrophobicContact CD1-CD2 3.58Å; F373-L401 HydrophobicContact CD1-CG 4.33Å; F373-L401 HydrophobicContact CE1-CB 4.39Å; F373-L401 HydrophobicContact CE1-CD2 3.38Å; F373-L401 HydrophobicContact CE1-CG 3.67Å; F373-L401 HydrophobicContact CZ-CG 4.5Å; F373-L403 HydrophobicContact CE1-CD2 4.33Å; F373-L403 HydrophobicContact CE2-CD1 4.21Å; F373-L403 HydrophobicContact CE2-CD2 4.46Å; F373-L403 HydrophobicContact CZ-CD1 4.03Å; F373-L403 HydrophobicContact CZ-CD2 3.64Å; F373-L403 HydrophobicContact CZ-CG 3.84Å
374	L	63.7	Low	63.7	Low	99 Å²	99	83.4 Å²	83.4	52%	0.518	41%	0.408	S	S	.	.	H	α-helix	trans	-63	-30.1	173.6	-75.3	170.6	0	0	0	112.5	Q370 T372 K378	Q370-L374 HydrophobicContact CG-CD1 4.46Å; Q370-L374 WeakPolarHBondContact O-CB 3.31Å; Q370-L374 WeakPolarHBondContact O-CG 3.41Å; Q370-L374 PolarHBondContact O-N 2.62Å; T372-L374 PolarHBondContact O-N 2.65Å; L374-K378 PolarHBondContact O-N 3.32Å; L374-K378 VanDerWaalsContact O-N 3.13Å
375	T	57.6	Low	65.6	Low	77 Å²	77	74.9 Å²	74.9	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-73.4	-40.8	173.1	-53.7	0	0	0	0	111.3	K371 T372 F373 K378 V379	K371-T375 PolarHBondContact O-N 3.46Å; K371-T375 PolarHBondContact O-OG1 2.81Å; T372-T375 CarbonylContact O-C 3.57Å; T372-T375 WeakPolarHBondContact O-CA 3.38Å; T372-T375 VanDerWaalsContact O-CB 3.26Å; T372-T375 WeakPolarHBondContact O-CB 3.19Å; T372-T375 PolarHBondContact O-N 2.82Å; F373-T375 PolarHBondContact O-N 2.87Å; T375-K378 WeakPolarHBondContact O-CB 3.36Å; T375-K378 PolarHBondContact O-N 3.21Å; T375-V379 WeakPolarHBondContact O-CG2 3.27Å; T375-V379 PolarHBondContact O-N 2.8Å; T375-V379 VanDerWaalsContact O-N 3.09Å
376	E	61.1	Low	67.8	Low	62 Å²	62	76.4 Å²	76.4	29%	0.29	39%	0.387	S	S	.	.	H	α-helix	trans	-66.6	-41.9	176.1	-72.2	157.8	176.9	0	0	111.4	T372 F373 K378 V379 M380	T372-E376 WeakPolarHBondContact O-CG 3.38Å; T372-E376 PolarHBondContact O-N 2.85Å; F373-E376 PolarHBondContact O-N 3.18Å; E376-K378 VanDerWaalsContact C-N 3.32Å; E376-K378 PolarHBondContact O-N 3.34Å; E376-V379 CarbonylContact O-C 3.59Å; E376-V379 WeakPolarHBondContact O-CA 3.46Å; E376-V379 WeakPolarHBondContact O-CB 3.3Å; E376-V379 PolarHBondContact O-N 3.4Å; E376-M380 WeakPolarHBondContact O-CG 3.41Å; E376-M380 PolarHBondContact O-N 3.4Å
377	V	69.7	Low	69.8	Low	12 Å²	12	73.7 Å²	73.7	7%	0.073	37%	0.372	C	S	.	.	H	α-helix	trans	-58.9	-41.6	170.1	168.9	0	0	0	0	111.2	F373 V379 M380 R381 F391 V394 L403	F373-V377 HydrophobicContact CD1-CG2 3.8Å; F373-V377 HydrophobicContact CE1-CG2 3.38Å; F373-V377 HydrophobicContact CZ-CG2 3.82Å; F373-V377 WeakPolarHBondContact O-CB 3.06Å; F373-V377 WeakPolarHBondContact O-CG2 3.44Å; F373-V377 PolarHBondContact O-N 3.1Å; V377-V379 VanDerWaalsContact C-N 3.25Å; V377-V379 PolarHBondContact O-N 3.03Å; V377-M380 PolarHBondContact O-N 3.24Å; V377-R381 HydrophobicContact CG1-CG 4.32Å; V377-R381 VanDerWaalsContact O-CB 3.32Å; V377-R381 WeakPolarHBondContact O-CB 3.44Å; V377-R381 WeakPolarHBondContact O-CG 3.23Å; V377-R381 PolarHBondContact O-N 2.79Å; V377-F391 HydrophobicContact CG1-CE1 4.42Å; V377-F391 HydrophobicContact CG1-CZ 4.15Å; V377-V394 HydrophobicContact CG1-CG1 4Å; V377-V394 HydrophobicContact CG2-CG1 4.42Å; V377-L403 HydrophobicContact CG2-CD2 3.94Å
378	K	67.7	Low	71.7	Confident	150 Å²	150	66.9 Å²	66.9	65%	0.652	34%	0.341	S	S	*	.	H	α-helix	trans	-60.7	-35.3	175	-177.1	-177.8	176.1	-176.9	0	112.1	L374 T375 E376	L374-K378 PolarHBondContact O-N 3.32Å; L374-K378 VanDerWaalsContact O-N 3.13Å; T375-K378 WeakPolarHBondContact O-CB 3.36Å; T375-K378 PolarHBondContact O-N 3.21Å; E376-K378 VanDerWaalsContact C-N 3.32Å; E376-K378 PolarHBondContact O-N 3.34Å
379	V	68.7	Low	73.6	Confident	26 Å²	26	60.1 Å²	60.1	16%	0.158	31%	0.31	C	S	.	.	H	α-helix	trans	-72.8	-48.9	174.3	173.8	0	0	0	0	111.2	T375 E376 V377 R381 S382 I447 L475	T375-V379 WeakPolarHBondContact O-CG2 3.27Å; T375-V379 PolarHBondContact O-N 2.8Å; T375-V379 VanDerWaalsContact O-N 3.09Å; E376-V379 CarbonylContact O-C 3.59Å; E376-V379 WeakPolarHBondContact O-CA 3.46Å; E376-V379 WeakPolarHBondContact O-CB 3.3Å; E376-V379 PolarHBondContact O-N 3.4Å; V377-V379 VanDerWaalsContact C-N 3.25Å; V377-V379 PolarHBondContact O-N 3.03Å; V379-R381 PolarHBondContact O-N 3.06Å; V379-S382 WeakPolarHBondContact O-CA 3.41Å; V379-S382 WeakPolarHBondContact O-CB 3.48Å; V379-S382 PolarHBondContact O-N 3.32Å; V379-S382 PolarHBondContact O-OG 3Å; V379-I447 HydrophobicContact CG1-CD1 3.45Å; V379-I447 VanDerWaalsContact CG1-CD1 3.45Å; V379-I447 HydrophobicContact CG1-CG1 3.91Å; V379-L475 HydrophobicContact CG2-CD1 4.22Å; V379-L475 HydrophobicContact CG2-CD2 4.24Å
380	M	72.8	Confident	75.3	Confident	21 Å²	21	61.1 Å²	61.1	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-55.9	-35.8	176.5	-69.6	173.6	64.2	0	0	112.3	E376 V377 S382 L383 F391 L403 F470	E376-M380 WeakPolarHBondContact O-CG 3.41Å; E376-M380 PolarHBondContact O-N 3.4Å; V377-M380 PolarHBondContact O-N 3.24Å; M380-S382 PolarHBondContact O-N 3.13Å; M380-L383 WeakPolarHBondContact O-CB 3.43Å; M380-L383 PolarHBondContact O-N 3.35Å; M380-F391 HydrophobicContact CB-CG 4.35Å; M380-F391 HydrophobicContact CE-CD2 3.85Å; M380-F391 HydrophobicContact CE-CE2 4.34Å; M380-L403 HydrophobicContact CE-CD1 4.22Å; M380-L403 HydrophobicContact CE-CD2 4.2Å; M380-F470 HydrophobicContact CE-CB 4.43Å; M380-F470 HydrophobicContact CE-CD2 4.17Å; M380-F470 HydrophobicContact SD-CB 4.38Å
381	R	74.4	Confident	76.6	Confident	123 Å²	123	58.6 Å²	58.6	46%	0.464	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.1	173.4	-78.6	-177.5	70.3	174.7	4.8	114.8	Q323 V377 V379 F391	Q323-R381 PolarHBondContact NE2-O 2.87Å; Q323-R381 VanDerWaalsContact OE1-CB 3.28Å; Q323-R381 VanDerWaalsContact OE1-CG 3.31Å; Q323-R381 PolarHBondContact OE1-O 3.18Å; V377-R381 HydrophobicContact CG1-CG 4.32Å; V377-R381 VanDerWaalsContact O-CB 3.32Å; V377-R381 WeakPolarHBondContact O-CB 3.44Å; V377-R381 WeakPolarHBondContact O-CG 3.23Å; V377-R381 PolarHBondContact O-N 2.79Å; V379-R381 PolarHBondContact O-N 3.06Å; R381-F391 HydrophobicContact CB-CD1 4.41Å; R381-F391 HydrophobicContact CG-CD1 3.5Å; R381-F391 HydrophobicContact CG-CE1 3.33Å; R381-F391 HydrophobicContact CG-CZ 4.44Å
382	S	77.6	Confident	78	Confident	60 Å²	60	53.1 Å²	53.1	42%	0.42	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-2.1	176	68.1	0	0	0	0	113.9	V379 M380 Y441 M445	V379-S382 WeakPolarHBondContact O-CA 3.41Å; V379-S382 WeakPolarHBondContact O-CB 3.48Å; V379-S382 PolarHBondContact O-N 3.32Å; V379-S382 PolarHBondContact O-OG 3Å; M380-S382 PolarHBondContact O-N 3.13Å; S382-Y441 PolarHBondContact O-OH 3.35Å; S382-M445 WeakPolarHBondContact OG-CE 3.49Å
383	L	84.7	Confident	79.4	Confident	11 Å²	11	49.8 Å²	49.8	6%	0.058	25%	0.254	C	S	.	.			trans	-83.4	121.1	178.3	-54.7	-179.7	0	0	0	110.7	M380 V388 Y441 L442 M445 I447	M380-L383 WeakPolarHBondContact O-CB 3.43Å; M380-L383 PolarHBondContact O-N 3.35Å; L383-V388 HydrophobicContact CB-CG1 4.44Å; L383-V388 HydrophobicContact CD1-CG1 4.29Å; L383-Y441 WeakPolarHBondContact CA-OH 3.38Å; L383-Y441 HydrophobicContact CB-CE1 4.14Å; L383-Y441 HydrophobicContact CD2-CE1 3.7Å; L383-Y441 HydrophobicContact CG-CE1 4.49Å; L383-L442 HydrophobicContact CD1-CD2 3.8Å; L383-L442 HydrophobicContact CD2-CD2 4.39Å; L383-M445 HydrophobicContact CD2-CB 4.22Å; L383-M445 HydrophobicContact CD2-CE 4.19Å; L383-M445 HydrophobicContact CD2-CG 4Å; L383-I447 HydrophobicContact CD1-CD1 4.06Å; L383-I447 HydrophobicContact CD2-CD1 3.72Å; L383-I447 HydrophobicContact CG-CD1 4.42Å
384	D	88.3	Confident	80.3	Confident	102 Å²	102	50 Å²	50	55%	0.545	26%	0.257	S	S	.	.			trans	-144.7	101.6	170.5	-156.6	-1.1	0	0	0	109.5	K390 Y441	D384-K390 WeakPolarHBondContact OD1-CE 3.37Å; D384-K390 IonicContact OD1-NZ 3.15Å; D384-K390 PolarHBondContact OD1-NZ 2.68Å; D384-K390 IonicContact OD2-NZ 3.76Å; D384-K390 PolarHBondContact OD2-NZ 3.09Å; D384-Y441 PolarHBondContact N-OH 2.82Å
385	H	94.3	Very high	81.3	Confident	39 Å²	39	45.3 Å²	45.3	18%	0.181	23%	0.233	C	C	.	.			trans	-153.3	137.5	-176.9	-173.1	-94	0	0	0	109.2	N387 V388 S437 Y441	H385-N387 PolarHBondContact ND1-N 2.98Å; H385-N387 PolarHBondContact O-N 3.42Å; H385-N387 VanDerWaalsContact O-N 3.1Å; H385-V388 HydrophobicContact CB-CB 4.07Å; H385-V388 HydrophobicContact CB-CG2 3.92Å; H385-V388 PolarHBondContact O-N 3.26Å; H385-S437 PolarHBondContact CE1-OG 3.42Å; H385-S437 VanDerWaalsContact CE1-OG 3.26Å; H385-Y441 HydrophobicContact CB-CD1 3.62Å; H385-Y441 HydrophobicContact CB-CD2 4.01Å; H385-Y441 HydrophobicContact CB-CE1 3.78Å; H385-Y441 HydrophobicContact CB-CE2 4.18Å; H385-Y441 HydrophobicContact CB-CG 3.72Å; H385-Y441 AromaticContact CD2-CD2 3.73Å; H385-Y441 AromaticContact CD2-CG 3.8Å; H385-Y441 AromaticContact CG-CG 3.7Å
386	P	95.1	Very high	82.3	Confident	86 Å²	86	47.1 Å²	47.1	56%	0.558	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.1	-172.8	20.1	-33.8	0	0	0	114.4
387	N	97.4	Very high	83	Confident	22 Å²	22	48.2 Å²	48.2	12%	0.118	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	18.2	-179.6	-52.8	97.3	0	0	0	114.3	H385 G434 V465 V467	H385-N387 PolarHBondContact ND1-N 2.98Å; H385-N387 PolarHBondContact O-N 3.42Å; H385-N387 VanDerWaalsContact O-N 3.1Å; N387-G434 WeakPolarHBondContact CB-O 3.34Å; N387-V465 WeakPolarHBondContact CB-O 3.11Å; N387-V465 PolarHBondContact ND2-O 3.02Å; N387-V467 PolarHBondContact O-N 3.23Å
388	V	94.6	Very high	83.3	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.024	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-128.4	129.9	178	179.1	0	0	0	0	109	L383 H385 K390 G438 Y441 L442 F470	L383-V388 HydrophobicContact CB-CG1 4.44Å; L383-V388 HydrophobicContact CD1-CG1 4.29Å; H385-V388 HydrophobicContact CB-CB 4.07Å; H385-V388 HydrophobicContact CB-CG2 3.92Å; H385-V388 PolarHBondContact O-N 3.26Å; V388-K390 PolarHBondContact O-N 3.42Å; V388-K390 VanDerWaalsContact O-N 3.16Å; V388-G438 WeakPolarHBondContact CG2-O 3.15Å; V388-Y441 HydrophobicContact CG2-CD1 4.01Å; V388-L442 HydrophobicContact CG1-CD2 4.12Å; V388-L442 HydrophobicContact CG2-CD1 4.44Å; V388-L442 HydrophobicContact CG2-CG 4.27Å; V388-F470 HydrophobicContact CG1-CE1 4.39Å; V388-F470 HydrophobicContact CG1-CE2 4.15Å; V388-F470 HydrophobicContact CG1-CZ 3.6Å
389	L	92.1	Very high	83.3	Confident	17 Å²	17	52.5 Å²	52.5	9%	0.089	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.4	117.4	-169.3	-175.8	68	0	0	0	111.8	F391 T405 E406 I408 L458 V466 V467 A468 F470	L389-F391 PolarHBondContact O-N 3Å; L389-T405 HydrophobicContact CD2-CG2 3.91Å; L389-T405 HydrophobicContact CG-CG2 4.28Å; L389-E406 HydrophobicContact CD1-CG 3.47Å; L389-E406 VanDerWaalsContact CD1-CG 3.47Å; L389-E406 HydrophobicContact CG-CG 4.36Å; L389-I408 HydrophobicContact CD1-CD1 3.91Å; L389-I408 HydrophobicContact CD1-CG1 3.6Å; L389-L458 HydrophobicContact CD1-CD1 4.24Å; L389-L458 HydrophobicContact CD2-CD1 4.27Å; L389-V466 VanDerWaalsContact CA-CG1 3.43Å; L389-V466 HydrophobicContact CB-CG1 3.86Å; L389-V466 HydrophobicContact CD1-CG1 4.15Å; L389-V466 VanDerWaalsContact N-CG1 3.28Å; L389-V467 WeakPolarHBondContact CB-O 3.38Å; L389-V467 PolarHBondContact N-O 3.05Å; L389-A468 HydrophobicContact CB-CB 4.08Å; L389-A468 HydrophobicContact CD2-CB 3.73Å; L389-A468 HydrophobicContact CG-CB 4.45Å; L389-F470 HydrophobicContact CB-CE2 4.3Å
390	K	89.1	Confident	83.4	Confident	81 Å²	81	55.4 Å²	55.4	35%	0.352	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-68.2	118.3	-171.4	-166.5	155.9	-166.1	151.4	0	112.2	D384 V388 T405 E406	D384-K390 WeakPolarHBondContact OD1-CE 3.37Å; D384-K390 IonicContact OD1-NZ 3.15Å; D384-K390 PolarHBondContact OD1-NZ 2.68Å; D384-K390 IonicContact OD2-NZ 3.76Å; D384-K390 PolarHBondContact OD2-NZ 3.09Å; V388-K390 PolarHBondContact O-N 3.42Å; V388-K390 VanDerWaalsContact O-N 3.16Å; K390-T405 WeakPolarHBondContact O-CA 3.19Å; K390-E406 HydrophobicContact CB-CB 4.49Å; K390-E406 HydrophobicContact CB-CG 4.11Å; K390-E406 WeakPolarHBondContact CB-OE1 3.22Å; K390-E406 PolarHBondContact N-OE1 3.13Å; K390-E406 PolarHBondContact O-N 2.96Å
391	F	86.6	Confident	83.5	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.7	172.3	-177.3	-99.5	0	0	0	111.2	V377 M380 R381 L389 G393 V394 L403	V377-F391 HydrophobicContact CG1-CE1 4.42Å; V377-F391 HydrophobicContact CG1-CZ 4.15Å; M380-F391 HydrophobicContact CB-CG 4.35Å; M380-F391 HydrophobicContact CE-CD2 3.85Å; M380-F391 HydrophobicContact CE-CE2 4.34Å; R381-F391 HydrophobicContact CB-CD1 4.41Å; R381-F391 HydrophobicContact CG-CD1 3.5Å; R381-F391 HydrophobicContact CG-CE1 3.33Å; R381-F391 HydrophobicContact CG-CZ 4.44Å; L389-F391 PolarHBondContact O-N 3Å; F391-G393 WeakPolarHBondContact CE2-O 3.12Å; F391-G393 WeakPolarHBondContact CZ-O 3.38Å; F391-V394 HydrophobicContact CZ-CG1 3.85Å; F391-L403 HydrophobicContact CD2-CD2 4.49Å; F391-L403 HydrophobicContact CE2-CB 4.46Å; F391-L403 HydrophobicContact CE2-CD2 3.61Å; F391-L403 HydrophobicContact CZ-CD2 4.31Å
392	I	87.4	Confident	83.8	Confident	20 Å²	20	49.6 Å²	49.6	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-38.7	-177.7	-58.3	-179.5	0	0	0	111.7	Q323 Q324 F326 M357 L404 T405 E406	Q323-I392 VanDerWaalsContact CA-O 3.29Å; Q323-I392 WeakPolarHBondContact CA-O 3.47Å; Q323-I392 VanDerWaalsContact CB-O 3.29Å; Q323-I392 WeakPolarHBondContact CB-O 3.49Å; Q324-I392 PolarHBondContact N-O 3.45Å; Q324-I392 VanDerWaalsContact N-O 3.1Å; F326-I392 HydrophobicContact CE2-CG2 4.01Å; F326-I392 HydrophobicContact CZ-CG2 3.96Å; M357-I392 HydrophobicContact CB-CD1 4.44Å; M357-I392 HydrophobicContact CG-CD1 3.76Å; M357-I392 HydrophobicContact SD-CB 4.44Å; M357-I392 HydrophobicContact SD-CD1 3.79Å; M357-I392 HydrophobicContact SD-CG2 3.85Å; I392-L404 PolarHBondContact N-O 3.22Å; I392-T405 VanDerWaalsContact CD1-C 3.48Å; I392-E406 HydrophobicContact CD1-CB 4.34Å
393	G	82.4	Confident	84.1	Confident	2 Å²	2	47.3 Å²	47.3	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	-174.9	-173.4	0	0	0	0	0	115.7	Q324 F391 L404	Q324-G393 WeakPolarHBondContact O-CA 3.36Å; F391-G393 WeakPolarHBondContact CE2-O 3.12Å; F391-G393 WeakPolarHBondContact CZ-O 3.38Å; G393-L404 PolarHBondContact N-O 3.34Å; G393-L404 WeakPolarHBondContact O-CB 3.5Å; G393-L404 PolarHBondContact O-N 3.49Å
394	V	82	Confident	84.3	Confident	28 Å²	28	46.8 Å²	46.8	17%	0.17	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.8	174.1	-64.3	0	0	0	0	111.2	Q324 I325 F326 V377 F391 L401 N402	Q324-V394 PolarHBondContact O-N 2.86Å; I325-V394 WeakPolarHBondContact CA-O 3.32Å; I325-V394 HydrophobicContact CG1-CG2 4.13Å; F326-V394 PolarHBondContact N-O 3.36Å; V377-V394 HydrophobicContact CG1-CG1 4Å; V377-V394 HydrophobicContact CG2-CG1 4.42Å; F391-V394 HydrophobicContact CZ-CG1 3.85Å; V394-L401 HydrophobicContact CB-CD1 3.92Å; V394-L401 HydrophobicContact CG1-CD1 4.33Å; V394-L401 HydrophobicContact CG2-CD1 4.44Å; V394-N402 WeakPolarHBondContact CA-O 3.5Å
395	L	84.2	Confident	84.4	Confident	1 Å²	1	43 Å²	43	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.9	168.7	178.6	156.9	0	0	0	108.7	F326 P328 L331 M359 K397 N402 L404	F326-L395 HydrophobicContact CB-CB 4.34Å; F326-L395 HydrophobicContact CB-CD1 4.24Å; F326-L395 WeakPolarHBondContact O-CG 3.45Å; P328-L395 HydrophobicContact CG-CD2 4.23Å; L331-L395 HydrophobicContact CD1-CD1 3.48Å; L331-L395 VanDerWaalsContact CD1-CD1 3.48Å; L331-L395 HydrophobicContact CG-CD1 4.14Å; M359-L395 HydrophobicContact SD-CD1 4.08Å; M359-L395 HydrophobicContact SD-CD2 4.14Å; L395-K397 HydrophobicContact CD2-CB 3.87Å; L395-N402 HydrophobicContact CB-CB 4.48Å; L395-N402 HydrophobicContact CD2-CB 4.43Å; L395-N402 WeakPolarHBondContact CD2-ND2 3.47Å; L395-N402 PolarHBondContact N-O 2.85Å; L395-N402 WeakPolarHBondContact O-CB 3.49Å; L395-N402 PolarHBondContact O-N 2.11Å; L395-N402 PolarHBondContact O-ND2 2.79Å; L395-L404 HydrophobicContact CB-CD1 3.95Å
396	Y	78.6	Confident	84.2	Confident	115 Å²	115	43.1 Å²	43.1	45%	0.451	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	133	176.1	-170	-112.3	0	0	0	109.9	K399 K400 L401	Y396-K399 WeakPolarHBondContact OH-CA 3.49Å; Y396-K400 VanDerWaalsContact CD2-O 3.23Å; Y396-K400 WeakPolarHBondContact CD2-O 3.48Å; Y396-L401 HydrophobicContact CD2-CB 4.09Å; Y396-L401 HydrophobicContact CD2-CD1 4.08Å
397	K	75.6	Confident	84.1	Confident	84 Å²	84	41.5 Å²	41.5	37%	0.365	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	136	-178.1	-169.8	-174	-178.2	-78.4	0	110.2	P328 L395 K399 K400	P328-K397 HydrophobicContact CB-CD 4Å; P328-K397 HydrophobicContact CB-CG 4.41Å; P328-K397 HydrophobicContact CG-CB 3.96Å; P328-K397 HydrophobicContact CG-CD 3.9Å; P328-K397 HydrophobicContact CG-CG 3.78Å; L395-K397 HydrophobicContact CD2-CB 3.87Å; K397-K399 VanDerWaalsContact C-N 3.25Å; K397-K399 PolarHBondContact O-N 3.15Å; K397-K400 PolarHBondContact N-O 3.33Å; K397-K400 WeakPolarHBondContact O-CA 3.48Å; K397-K400 WeakPolarHBondContact O-CB 3.32Å; K397-K400 PolarHBondContact O-N 3.26Å; K397-K400 VanDerWaalsContact O-O 3.07Å
398	D	75.1	Confident	83.9	Confident	119 Å²	119	41 Å²	41	64%	0.636	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	39	174.1	-43.9	-26.4	0	0	0	114.1	K400	D398-K400 PolarHBondContact O-N 2.86Å; D398-K400 VanDerWaalsContact O-N 3.13Å
399	K	69.1	Low	83.7	Confident	134 Å²	134	46.8 Å²	46.8	58%	0.583	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	5.9	-170.1	-58.2	-172.8	179.1	-174.2	0	116.4	Y396 K397	Y396-K399 WeakPolarHBondContact OH-CA 3.49Å; K397-K399 VanDerWaalsContact C-N 3.25Å; K397-K399 PolarHBondContact O-N 3.15Å
400	K	70.7	Confident	83.5	Confident	86 Å²	86	47.6 Å²	47.6	37%	0.374	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.6	169.2	-59.1	176.5	175.1	-179.9	0	110.9	E361 Y396 K397 D398	E361-K400 IonicContact OE2-NZ 2.81Å; E361-K400 PolarHBondContact OE2-NZ 2.87Å; Y396-K400 VanDerWaalsContact CD2-O 3.23Å; Y396-K400 WeakPolarHBondContact CD2-O 3.48Å; K397-K400 PolarHBondContact N-O 3.33Å; K397-K400 WeakPolarHBondContact O-CA 3.48Å; K397-K400 WeakPolarHBondContact O-CB 3.32Å; K397-K400 PolarHBondContact O-N 3.26Å; K397-K400 VanDerWaalsContact O-O 3.07Å; D398-K400 PolarHBondContact O-N 2.86Å; D398-K400 VanDerWaalsContact O-N 3.13Å
401	L	74.6	Confident	83.6	Confident	17 Å²	17	45.2 Å²	45.2	9%	0.089	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.3	174.5	-172.5	49.6	0	0	0	109.1	F373 V394 Y396	F373-L401 HydrophobicContact CD1-CD2 3.58Å; F373-L401 HydrophobicContact CD1-CG 4.33Å; F373-L401 HydrophobicContact CE1-CB 4.39Å; F373-L401 HydrophobicContact CE1-CD2 3.38Å; F373-L401 HydrophobicContact CE1-CG 3.67Å; F373-L401 HydrophobicContact CZ-CG 4.5Å; V394-L401 HydrophobicContact CB-CD1 3.92Å; V394-L401 HydrophobicContact CG1-CD1 4.33Å; V394-L401 HydrophobicContact CG2-CD1 4.44Å; Y396-L401 HydrophobicContact CD2-CB 4.09Å; Y396-L401 HydrophobicContact CD2-CD1 4.08Å
402	N	81.6	Confident	83.9	Confident	6 Å²	6	46 Å²	46	3%	0.032	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.4	-171.2	-44.9	-73.6	0	0	0	109.2	M359 K360 E361 V394 L395	M359-N402 HydrophobicContact CG-CB 3.78Å; M359-N402 HydrophobicContact SD-CB 3.95Å; K360-N402 CarbonylContact O-C 3.5Å; K360-N402 VanDerWaalsContact O-CA 3.32Å; K360-N402 WeakPolarHBondContact O-CA 3.36Å; E361-N402 WeakPolarHBondContact CA-OD1 3.39Å; E361-N402 WeakPolarHBondContact CG-OD1 3.13Å; V394-N402 WeakPolarHBondContact CA-O 3.5Å; L395-N402 HydrophobicContact CB-CB 4.48Å; L395-N402 HydrophobicContact CD2-CB 4.43Å; L395-N402 WeakPolarHBondContact CD2-ND2 3.47Å; L395-N402 PolarHBondContact N-O 2.85Å; L395-N402 WeakPolarHBondContact O-CB 3.49Å; L395-N402 PolarHBondContact O-N 2.11Å; L395-N402 PolarHBondContact O-ND2 2.79Å
403	L	83.1	Confident	84.2	Confident	11 Å²	11	45 Å²	45	6%	0.058	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	138.1	-178.8	-67.3	166.7	0	0	0	109.9	M359 K360 L362 F373 V377 M380 F391	M359-L403 CarbonylContact C-O 3.52Å; M359-L403 WeakPolarHBondContact CA-O 3.4Å; K360-L403 PolarHBondContact N-O 3.04Å; K360-L403 PolarHBondContact O-N 2.84Å; L362-L403 HydrophobicContact CD1-CD1 3.66Å; L362-L403 HydrophobicContact CD1-CG 4.11Å; F373-L403 HydrophobicContact CE1-CD2 4.33Å; F373-L403 HydrophobicContact CE2-CD1 4.21Å; F373-L403 HydrophobicContact CE2-CD2 4.46Å; F373-L403 HydrophobicContact CZ-CD1 4.03Å; F373-L403 HydrophobicContact CZ-CD2 3.64Å; F373-L403 HydrophobicContact CZ-CG 3.84Å; V377-L403 HydrophobicContact CG2-CD2 3.94Å; M380-L403 HydrophobicContact CE-CD1 4.22Å; M380-L403 HydrophobicContact CE-CD2 4.2Å; F391-L403 HydrophobicContact CD2-CD2 4.49Å; F391-L403 HydrophobicContact CE2-CB 4.46Å; F391-L403 HydrophobicContact CE2-CD2 3.61Å; F391-L403 HydrophobicContact CZ-CD2 4.31Å
404	L	87.8	Confident	84.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.4	176.2	-70.7	158.8	0	0	0	111.1	F326 L331 V348 M357 V358 M359 I392 G393 L395	F326-L404 HydrophobicContact CB-CD1 3.83Å; F326-L404 HydrophobicContact CD2-CD1 3.23Å; F326-L404 HydrophobicContact CE2-CD1 3.85Å; F326-L404 HydrophobicContact CG-CD1 3.67Å; L331-L404 HydrophobicContact CD1-CD1 4.01Å; L331-L404 HydrophobicContact CD1-CD2 3.84Å; V348-L404 HydrophobicContact CG2-CD2 3.68Å; M357-L404 HydrophobicContact CE-CD2 4.47Å; V358-L404 VanDerWaalsContact O-CA 3.32Å; V358-L404 WeakPolarHBondContact O-CA 3.31Å; M359-L404 HydrophobicContact CB-CD2 3.63Å; M359-L404 HydrophobicContact CG-CD2 3.94Å; M359-L404 HydrophobicContact CG-CG 4.45Å; I392-L404 PolarHBondContact N-O 3.22Å; G393-L404 PolarHBondContact N-O 3.34Å; G393-L404 WeakPolarHBondContact O-CB 3.5Å; G393-L404 PolarHBondContact O-N 3.49Å; L395-L404 HydrophobicContact CB-CD1 3.95Å
405	T	90.5	Very high	85	Confident	23 Å²	23	47.9 Å²	47.9	14%	0.141	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	168.7	179.5	63.7	0	0	0	0	111.7	M357 V358 L389 K390 I392	M357-T405 WeakPolarHBondContact CA-O 3.13Å; M357-T405 WeakPolarHBondContact CB-O 3.23Å; V358-T405 PolarHBondContact N-O 3.34Å; V358-T405 PolarHBondContact O-N 3.07Å; L389-T405 HydrophobicContact CD2-CG2 3.91Å; L389-T405 HydrophobicContact CG-CG2 4.28Å; K390-T405 WeakPolarHBondContact O-CA 3.19Å; I392-T405 VanDerWaalsContact CD1-C 3.48Å
406	E	91.4	Very high	85.3	Confident	41 Å²	41	48.7 Å²	48.7	19%	0.192	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	152.4	164.1	68.4	179.9	140.9	0	0	111.4	L389 K390 I392 I408 K460	L389-E406 HydrophobicContact CD1-CG 3.47Å; L389-E406 VanDerWaalsContact CD1-CG 3.47Å; L389-E406 HydrophobicContact CG-CG 4.36Å; K390-E406 HydrophobicContact CB-CB 4.49Å; K390-E406 HydrophobicContact CB-CG 4.11Å; K390-E406 WeakPolarHBondContact CB-OE1 3.22Å; K390-E406 PolarHBondContact N-OE1 3.13Å; K390-E406 PolarHBondContact O-N 2.96Å; I392-E406 HydrophobicContact CD1-CB 4.34Å; E406-I408 HydrophobicContact CG-CD1 3.77Å; E406-K460 IonicContact OE1-NZ 2.66Å; E406-K460 PolarHBondContact OE1-NZ 2.94Å; E406-K460 VanDerWaalsContact OE2-CE 3.31Å; E406-K460 WeakPolarHBondContact OE2-CE 3.4Å; E406-K460 IonicContact OE2-NZ 3.74Å; E406-K460 PolarHBondContact OE2-NZ 3.33Å
407	Y	92.9	Very high	85.8	Confident	52 Å²	52	44.1 Å²	44.1	20%	0.204	23%	0.227	C	C	.	.			trans	-94.1	133.8	172.6	174.4	-126.1	0	0	0	109.5	L337 K347 V356 V358 E409	L337-Y407 HydrophobicContact CD1-CD2 3.97Å; L337-Y407 HydrophobicContact CD1-CE2 3.78Å; L337-Y407 HydrophobicContact CD2-CE2 4.05Å; K347-Y407 HydrophobicContact CD-CE1 4.27Å; K347-Y407 HydrophobicContact CD-CE2 4.26Å; K347-Y407 VanDerWaalsContact CE-CE1 3.45Å; K347-Y407 HydrophobicContact CG-CE2 4.49Å; K347-Y407 PolarHBondContact NZ-OH 3.14Å; V356-Y407 HydrophobicContact CB-CD1 4.3Å; V356-Y407 HydrophobicContact CG1-CD1 3.51Å; V356-Y407 HydrophobicContact CG1-CE1 4.15Å; V356-Y407 HydrophobicContact CG1-CG 3.91Å; V358-Y407 HydrophobicContact CG2-CD2 3.67Å; V358-Y407 HydrophobicContact CG2-CG 4.34Å; Y407-E409 HydrophobicContact CD1-CG 3.86Å; Y407-E409 HydrophobicContact CE1-CG 3.41Å; Y407-E409 VanDerWaalsContact CE1-CG 3.41Å
408	I	93.1	Very high	86.2	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.067	23%	0.232	C	C	.	.			trans	-114.9	115	-178.8	-52.7	-58.6	0	0	0	107.9	L389 E406 L458 I459 K460	L389-I408 HydrophobicContact CD1-CD1 3.91Å; L389-I408 HydrophobicContact CD1-CG1 3.6Å; E406-I408 HydrophobicContact CG-CD1 3.77Å; I408-L458 HydrophobicContact CB-CB 4.06Å; I408-L458 HydrophobicContact CB-CD1 4.11Å; I408-L458 HydrophobicContact CG1-CB 4.13Å; I408-L458 HydrophobicContact CG1-CD1 3.84Å; I408-L458 HydrophobicContact CG2-CB 3.78Å; I408-I459 VanDerWaalsContact CG2-C 3.41Å; I408-I459 WeakPolarHBondContact CG2-O 3.46Å; I408-K460 HydrophobicContact CD1-CD 4.25Å; I408-K460 HydrophobicContact CD1-CG 3.88Å; I408-K460 HydrophobicContact CG2-CG 4.01Å
409	E	90.4	Very high	86.3	Confident	125 Å²	125	44.5 Å²	44.5	58%	0.584	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-28.4	-168.6	-76.3	174.1	-145.6	0	0	114.5	Y407 G411 L461	Y407-E409 HydrophobicContact CD1-CG 3.86Å; Y407-E409 HydrophobicContact CE1-CG 3.41Å; Y407-E409 VanDerWaalsContact CE1-CG 3.41Å; E409-G411 VanDerWaalsContact C-N 3.26Å; E409-G411 PolarHBondContact O-N 3.25Å; E409-L461 HydrophobicContact CB-CD1 4.49Å; E409-L461 HydrophobicContact CB-CD2 3.97Å; E409-L461 HydrophobicContact CB-CG 4.16Å
410	G	88.4	Confident	85.9	Confident	34 Å²	34	47.1 Å²	47.1	35%	0.351	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	11.7	-175.3	0	0	0	0	0	115.8	I459	G410-I459 CarbonylContact C-O 3.55Å; G410-I459 WeakPolarHBondContact CA-O 3.43Å; G410-I459 PolarHBondContact N-O 3.23Å
411	G	91.1	Very high	85.9	Confident	31 Å²	31	47.2 Å²	47.2	32%	0.32	25%	0.245	S	C	.	.			trans	73.1	-157.7	174.4	0	0	0	0	0	114.9	E409 L458 I459	E409-G411 VanDerWaalsContact C-N 3.26Å; E409-G411 PolarHBondContact O-N 3.25Å; G411-L458 WeakPolarHBondContact O-CA 3.39Å; G411-I459 PolarHBondContact O-N 2.77Å
412	T	92.4	Very high	86.2	Confident	23 Å²	23	52 Å²	52	14%	0.141	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-91.7	157.1	179.7	80.8	0	0	0	0	112	K414 D415 F416 H455 C457 L458	T412-K414 VanDerWaalsContact C-N 3.26Å; T412-K414 PolarHBondContact O-N 3.42Å; T412-K414 PolarHBondContact OG1-N 3.11Å; T412-D415 PolarHBondContact O-N 3.27Å; T412-D415 VanDerWaalsContact OG1-CG 3.27Å; T412-D415 PolarHBondContact OG1-N 2.9Å; T412-D415 VanDerWaalsContact OG1-N 3.09Å; T412-D415 PolarHBondContact OG1-OD2 3.45Å; T412-F416 PolarHBondContact O-N 3.2Å; T412-H455 WeakPolarHBondContact CG2-O 3.16Å; T412-C457 CarbonylContact C-O 3.56Å; T412-C457 WeakPolarHBondContact CA-O 3.49Å; T412-L458 HydrophobicContact CG2-CD2 3.98Å
413	L	94	Very high	86.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-38.7	170.9	173.6	63.1	0	0	0	111.6	D415 F416 L417 F431 I435 S454 C457 I459 V535 I539	L413-D415 VanDerWaalsContact C-N 3.31Å; L413-D415 PolarHBondContact O-N 3.34Å; L413-F416 PolarHBondContact O-N 3.28Å; L413-L417 HydrophobicContact CD1-CD1 4.21Å; L413-L417 HydrophobicContact CD1-CG 4.07Å; L413-L417 HydrophobicContact CG-CD1 4Å; L413-L417 HydrophobicContact CG-CG 4.32Å; L413-L417 WeakPolarHBondContact O-CB 3.42Å; L413-L417 VanDerWaalsContact O-CG 3.25Å; L413-L417 WeakPolarHBondContact O-CG 3.33Å; L413-L417 PolarHBondContact O-N 2.94Å; L413-F431 HydrophobicContact CD1-CD2 3.7Å; L413-F431 HydrophobicContact CD1-CE2 3.96Å; L413-I435 HydrophobicContact CD2-CD1 4.02Å; L413-S454 WeakPolarHBondContact CB-O 3.29Å; L413-S454 PolarHBondContact N-O 3.09Å; L413-C457 HydrophobicContact CB-CB 3.82Å; L413-C457 HydrophobicContact CD2-CB 4.03Å; L413-C457 PolarHBondContact N-O 3.47Å; L413-I459 HydrophobicContact CB-CD1 4.28Å; L413-I459 HydrophobicContact CD1-CD1 4.12Å; L413-V535 HydrophobicContact CD2-CG1 3.68Å; L413-I539 HydrophobicContact CD1-CG1 4.42Å; L413-I539 HydrophobicContact CD2-CD1 4.06Å; L413-I539 HydrophobicContact CD2-CG1 4.2Å
414	K	91.6	Very high	87	Confident	29 Å²	29	55.3 Å²	55.3	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-39.7	176.8	-164.1	178.5	-162.9	175.4	0	112.6	T412 L417 R418 S454 H455 Y544	T412-K414 VanDerWaalsContact C-N 3.26Å; T412-K414 PolarHBondContact O-N 3.42Å; T412-K414 PolarHBondContact OG1-N 3.11Å; K414-L417 PolarHBondContact O-N 2.85Å; K414-R418 WeakPolarHBondContact O-CD 3.3Å; K414-R418 VanDerWaalsContact O-CG 3.29Å; K414-R418 WeakPolarHBondContact O-CG 3.43Å; K414-R418 PolarHBondContact O-N 3.18Å; K414-S454 PolarHBondContact N-O 3.09Å; K414-H455 WeakPolarHBondContact CD-CE1 3.26Å; K414-H455 VanDerWaalsContact CD-NE2 3.27Å; K414-H455 WeakPolarHBondContact CD-NE2 3.39Å; K414-H455 PolarHBondContact NZ-NE2 3.49Å; K414-Y544 HydrophobicContact CG-CE1 4.39Å
415	D	89.9	Confident	87.4	Confident	61 Å²	61	56.5 Å²	56.5	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-76.1	-30.2	178.8	-57.9	-51.3	0	0	0	111.7	T412 L413 R418 N419	T412-D415 PolarHBondContact O-N 3.27Å; T412-D415 VanDerWaalsContact OG1-CG 3.27Å; T412-D415 PolarHBondContact OG1-N 2.9Å; T412-D415 VanDerWaalsContact OG1-N 3.09Å; T412-D415 PolarHBondContact OG1-OD2 3.45Å; L413-D415 VanDerWaalsContact C-N 3.31Å; L413-D415 PolarHBondContact O-N 3.34Å; D415-R418 PolarHBondContact O-N 2.79Å; D415-R418 IonicContact OD1-CZ 2.66Å; D415-R418 IonicContact OD1-NH1 3.91Å; D415-R418 PolarHBondContact OD1-NH1 3.38Å; D415-N419 PolarHBondContact O-ND2 3.33Å; D415-N419 PolarHBondContact O-OD1 2.82Å
416	F	90	Very high	87.6	Confident	18 Å²	18	58.3 Å²	58.3	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-67	-42	168.3	-177.5	-103.6	0	0	0	112.6	T412 L413 R418 N419 F423 F431 I459	T412-F416 PolarHBondContact O-N 3.2Å; L413-F416 PolarHBondContact O-N 3.28Å; F416-R418 PolarHBondContact O-N 2.84Å; F416-N419 PolarHBondContact O-N 3.16Å; F416-N419 VanDerWaalsContact O-N 3.14Å; F416-F423 HydrophobicContact CE1-CD1 4.19Å; F416-F423 AromaticContact CE1-CD2 3.75Å; F416-F423 HydrophobicContact CE1-CD2 3.75Å; F416-F423 HydrophobicContact CE1-CE1 4.25Å; F416-F423 AromaticContact CE1-CE2 3.81Å; F416-F423 HydrophobicContact CE1-CE2 3.81Å; F416-F423 AromaticContact CE1-CG 3.95Å; F416-F423 HydrophobicContact CE1-CG 3.95Å; F416-F423 HydrophobicContact CE1-CZ 4.07Å; F416-F423 HydrophobicContact CZ-CD2 4.29Å; F416-F431 AromaticContact CD1-CE2 3.67Å; F416-F431 HydrophobicContact CD1-CE2 3.67Å; F416-F431 HydrophobicContact CD1-CZ 4.29Å; F416-F431 AromaticContact CE1-CE2 3.73Å; F416-F431 HydrophobicContact CE1-CE2 3.73Å; F416-F431 HydrophobicContact CE1-CZ 4.08Å; F416-I459 HydrophobicContact CB-CD1 3.45Å; F416-I459 VanDerWaalsContact CB-CD1 3.45Å; F416-I459 HydrophobicContact CD1-CD1 3.96Å; F416-I459 HydrophobicContact CG-CD1 3.71Å
417	L	88.6	Confident	87.8	Confident	20 Å²	20	58 Å²	58	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-20.5	176.4	-72	170.4	0	0	0	113.7	L413 K414 F423 E538 Q542	L413-L417 HydrophobicContact CD1-CD1 4.21Å; L413-L417 HydrophobicContact CD1-CG 4.07Å; L413-L417 HydrophobicContact CG-CD1 4Å; L413-L417 HydrophobicContact CG-CG 4.32Å; L413-L417 WeakPolarHBondContact O-CB 3.42Å; L413-L417 VanDerWaalsContact O-CG 3.25Å; L413-L417 WeakPolarHBondContact O-CG 3.33Å; L413-L417 PolarHBondContact O-N 2.94Å; K414-L417 PolarHBondContact O-N 2.85Å; L417-F423 HydrophobicContact CD2-CD1 4.03Å; L417-F423 HydrophobicContact CD2-CE1 3.61Å; L417-E538 HydrophobicContact CD1-CB 3.86Å; L417-Q542 HydrophobicContact CD2-CG 4.18Å
418	R	84	Confident	87.9	Confident	126 Å²	126	55.7 Å²	55.7	48%	0.475	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.2	175.2	-77.6	162.7	154.6	177.2	-9.5	114	K414 D415 F416 Y544	K414-R418 WeakPolarHBondContact O-CD 3.3Å; K414-R418 VanDerWaalsContact O-CG 3.29Å; K414-R418 WeakPolarHBondContact O-CG 3.43Å; K414-R418 PolarHBondContact O-N 3.18Å; D415-R418 PolarHBondContact O-N 2.79Å; D415-R418 IonicContact OD1-CZ 2.66Å; D415-R418 IonicContact OD1-NH1 3.91Å; D415-R418 PolarHBondContact OD1-NH1 3.38Å; F416-R418 PolarHBondContact O-N 2.84Å; R418-Y544 HydrophobicContact CG-CE1 4.04Å; R418-Y544 WeakPolarHBondContact CG-OH 3.19Å; R418-Y544 PolarHBondContact NE-OH 2.99Å
419	N	77	Confident	88.1	Confident	85 Å²	85	55 Å²	55	46%	0.455	30%	0.296	S	S	.	.	S	Bend	trans	-77.8	144.6	-176	-67.7	-22.8	0	0	0	110.3	D415 F416 D421	D415-N419 PolarHBondContact O-ND2 3.33Å; D415-N419 PolarHBondContact O-OD1 2.82Å; F416-N419 PolarHBondContact O-N 3.16Å; F416-N419 VanDerWaalsContact O-N 3.14Å; N419-D421 PolarHBondContact O-N 3.09Å
420	M	61.4	Low	88.5	Confident	189 Å²	189	54.9 Å²	54.9	93%	0.931	29%	0.29	S	S	*	.			trans	-75.4	15.7	177.8	-62.7	-66.7	-66.1	0	0	113.2
421	D	70.9	Confident	88.9	Confident	88 Å²	88	53.3 Å²	53.3	47%	0.471	27%	0.273	S	S	.	.	S	Bend	trans	-69.2	139.9	178.4	-75.6	-18	0	0	0	110.3	N419 F423	N419-D421 PolarHBondContact O-N 3.09Å; D421-F423 PolarHBondContact O-N 3.13Å; D421-F423 VanDerWaalsContact O-N 3.13Å
422	P	79.7	Confident	89.2	Confident	118 Å²	118	51.9 Å²	51.9	77%	0.766	26%	0.258	S	S	*	.			trans	-58.3	118.6	171.1	-23.9	34.2	0	0	0	111	P424	P422-P424 WeakPolarHBondContact O-CD 3.28Å
423	F	89.1	Confident	89.5	Confident	16 Å²	16	53.1 Å²	53.1	7%	0.07	26%	0.262	C	S	.	.			trans	-110.1	82.4	-179.5	-173	-160.7	0	0	0	110.5	F416 L417 D421 Q427 K428 F431 I539 Q542	F416-F423 HydrophobicContact CE1-CD1 4.19Å; F416-F423 AromaticContact CE1-CD2 3.75Å; F416-F423 HydrophobicContact CE1-CD2 3.75Å; F416-F423 HydrophobicContact CE1-CE1 4.25Å; F416-F423 AromaticContact CE1-CE2 3.81Å; F416-F423 HydrophobicContact CE1-CE2 3.81Å; F416-F423 AromaticContact CE1-CG 3.95Å; F416-F423 HydrophobicContact CE1-CG 3.95Å; F416-F423 HydrophobicContact CE1-CZ 4.07Å; F416-F423 HydrophobicContact CZ-CD2 4.29Å; L417-F423 HydrophobicContact CD2-CD1 4.03Å; L417-F423 HydrophobicContact CD2-CE1 3.61Å; D421-F423 PolarHBondContact O-N 3.13Å; D421-F423 VanDerWaalsContact O-N 3.13Å; F423-Q427 HydrophobicContact CD2-CB 4.09Å; F423-Q427 HydrophobicContact CD2-CG 4.2Å; F423-Q427 HydrophobicContact CE2-CB 4Å; F423-Q427 HydrophobicContact CE2-CG 3.88Å; F423-K428 HydrophobicContact CD1-CD 4.29Å; F423-K428 HydrophobicContact CD1-CG 3.78Å; F423-K428 HydrophobicContact CD2-CG 3.86Å; F423-K428 HydrophobicContact CE1-CD 4.4Å; F423-K428 HydrophobicContact CE1-CG 3.6Å; F423-K428 HydrophobicContact CE2-CB 4.33Å; F423-K428 HydrophobicContact CE2-CG 3.69Å; F423-K428 HydrophobicContact CG-CG 3.91Å; F423-K428 HydrophobicContact CZ-CB 4.21Å; F423-K428 HydrophobicContact CZ-CG 3.57Å; F423-K428 VanDerWaalsContact O-CE 3.3Å; F423-K428 WeakPolarHBondContact O-CE 3.41Å; F423-F431 AromaticContact CE2-CD2 3.91Å; F423-F431 HydrophobicContact CE2-CD2 3.91Å; F423-F431 HydrophobicContact CE2-CE2 4.02Å; F423-F431 HydrophobicContact CE2-CG 4.27Å; F423-F431 HydrophobicContact CE2-CZ 4.47Å; F423-F431 AromaticContact CZ-CD2 3.54Å; F423-F431 HydrophobicContact CZ-CD2 3.54Å; F423-F431 AromaticContact CZ-CE2 3.93Å; F423-F431 HydrophobicContact CZ-CE2 3.93Å; F423-F431 HydrophobicContact CZ-CG 4.12Å; F423-I539 HydrophobicContact CE1-CG2 4.1Å; F423-I539 HydrophobicContact CZ-CG2 4.15Å; F423-Q542 HydrophobicContact CD1-CG 4.5Å
424	P	93.6	Very high	89.7	Confident	70 Å²	70	53.5 Å²	53.5	46%	0.455	27%	0.265	S	S	.	.			trans	-68.1	151.1	-171.9	28.2	-36.3	0	0	0	112.3	P422 Q426 Q427 K428	P422-P424 WeakPolarHBondContact O-CD 3.28Å; P424-Q426 VanDerWaalsContact C-N 3.27Å; P424-Q426 PolarHBondContact O-N 3.25Å; P424-Q427 HydrophobicContact CG-CB 4.06Å; P424-Q427 WeakPolarHBondContact O-CA 3.29Å; P424-Q427 WeakPolarHBondContact O-CB 3.32Å; P424-Q427 PolarHBondContact O-N 2.8Å; P424-K428 PolarHBondContact O-N 3.13Å
425	W	95.1	Very high	90.1	Very high	24 Å²	24	52.1 Å²	52.1	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-56	-36.5	-176.9	-68.4	106.9	0	0	0	114.6	Q427 K428 V429 I540 P569 D571 C572 P573 F576 L608	W425-Q427 PolarHBondContact O-N 3.14Å; W425-K428 HydrophobicContact CD2-CD 3.91Å; W425-K428 HydrophobicContact CE3-CB 4.16Å; W425-K428 HydrophobicContact CE3-CD 3.41Å; W425-K428 VanDerWaalsContact CE3-CD 3.41Å; W425-K428 HydrophobicContact CE3-CG 4.34Å; W425-K428 HydrophobicContact CH2-CD 4.06Å; W425-K428 HydrophobicContact CZ2-CD 4.5Å; W425-K428 HydrophobicContact CZ3-CD 3.5Å; W425-K428 PolarHBondContact O-N 3.34Å; W425-K428 VanDerWaalsContact O-N 3.16Å; W425-V429 WeakPolarHBondContact O-CG2 3.46Å; W425-V429 PolarHBondContact O-N 2.76Å; W425-I540 HydrophobicContact CH2-CG2 4.06Å; W425-I540 HydrophobicContact CZ3-CB 4.44Å; W425-I540 HydrophobicContact CZ3-CG1 4.28Å; W425-I540 HydrophobicContact CZ3-CG2 4.31Å; W425-P569 HydrophobicContact CH2-CG 4.23Å; W425-P569 HydrophobicContact CZ2-CB 4.05Å; W425-P569 HydrophobicContact CZ2-CG 3.8Å; W425-D571 VanDerWaalsContact CD1-OD2 3.27Å; W425-D571 PolarHBondContact NE1-O 3.06Å; W425-D571 PolarHBondContact NE1-OD1 2.73Å; W425-D571 PolarHBondContact NE1-OD2 2.89Å; W425-C572 HydrophobicContact CH2-CB 3.84Å; W425-C572 HydrophobicContact CZ2-CB 3.93Å; W425-C572 HydrophobicContact CZ3-CB 4.33Å; W425-P573 HydrophobicContact CB-CG 3.74Å; W425-P573 VanDerWaalsContact CD2-CD 3.4Å; W425-P573 HydrophobicContact CD2-CG 4.19Å; W425-P573 VanDerWaalsContact CE3-CD 3.44Å; W425-P573 HydrophobicContact CE3-CG 4.25Å; W425-P573 HydrophobicContact CG-CG 3.97Å; W425-F576 AromaticContact CE3-CD1 3.86Å; W425-F576 HydrophobicContact CE3-CD1 3.86Å; W425-F576 AromaticContact CE3-CE1 3.9Å; W425-F576 HydrophobicContact CE3-CE1 3.9Å; W425-F576 AromaticContact CZ3-CD1 3.75Å; W425-F576 HydrophobicContact CZ3-CD1 3.75Å; W425-F576 AromaticContact CZ3-CE1 3.78Å; W425-F576 HydrophobicContact CZ3-CE1 3.78Å; W425-L608 HydrophobicContact CB-CD1 4.37Å
426	Q	94.8	Very high	90.5	Very high	62 Å²	62	49.2 Å²	49.2	29%	0.29	24%	0.243	S	C	.	.	H	α-helix	trans	-59.9	-32.7	174.4	-159.7	-166	70.5	0	0	112	P424 R430 L608	P424-Q426 VanDerWaalsContact C-N 3.27Å; P424-Q426 PolarHBondContact O-N 3.25Å; Q426-R430 VanDerWaalsContact O-CG 3.28Å; Q426-R430 WeakPolarHBondContact O-CG 3.25Å; Q426-R430 PolarHBondContact O-N 3.24Å; Q426-L608 HydrophobicContact CB-CB 4.49Å; Q426-L608 HydrophobicContact CG-CB 4.25Å; Q426-L608 PolarHBondContact NE2-O 2.96Å
427	Q	94.8	Very high	90.9	Very high	33 Å²	33	48.8 Å²	48.8	15%	0.154	24%	0.243	C	C	.	.	H	α-helix	trans	-81	-38.8	173.4	-164.4	-170.9	-28	0	0	111.9	F423 P424 W425 V429 R430 F431	F423-Q427 HydrophobicContact CD2-CB 4.09Å; F423-Q427 HydrophobicContact CD2-CG 4.2Å; F423-Q427 HydrophobicContact CE2-CB 4Å; F423-Q427 HydrophobicContact CE2-CG 3.88Å; P424-Q427 HydrophobicContact CG-CB 4.06Å; P424-Q427 WeakPolarHBondContact O-CA 3.29Å; P424-Q427 WeakPolarHBondContact O-CB 3.32Å; P424-Q427 PolarHBondContact O-N 2.8Å; W425-Q427 PolarHBondContact O-N 3.14Å; Q427-V429 VanDerWaalsContact C-N 3.3Å; Q427-V429 PolarHBondContact O-N 2.98Å; Q427-R430 PolarHBondContact O-N 3.39Å; Q427-F431 HydrophobicContact CG-CD1 4.01Å; Q427-F431 HydrophobicContact CG-CE1 3.71Å; Q427-F431 HydrophobicContact CG-CZ 4.3Å; Q427-F431 WeakPolarHBondContact O-CD1 3.41Å; Q427-F431 PolarHBondContact O-N 2.65Å
428	K	96.5	Very high	91.3	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-55	-44.6	172.5	-70.2	-177.5	169.8	-175	0	111.6	F423 P424 W425 F431 A432 I539 I540 F576	F423-K428 HydrophobicContact CD1-CD 4.29Å; F423-K428 HydrophobicContact CD1-CG 3.78Å; F423-K428 HydrophobicContact CD2-CG 3.86Å; F423-K428 HydrophobicContact CE1-CD 4.4Å; F423-K428 HydrophobicContact CE1-CG 3.6Å; F423-K428 HydrophobicContact CE2-CB 4.33Å; F423-K428 HydrophobicContact CE2-CG 3.69Å; F423-K428 HydrophobicContact CG-CG 3.91Å; F423-K428 HydrophobicContact CZ-CB 4.21Å; F423-K428 HydrophobicContact CZ-CG 3.57Å; F423-K428 VanDerWaalsContact O-CE 3.3Å; F423-K428 WeakPolarHBondContact O-CE 3.41Å; P424-K428 PolarHBondContact O-N 3.13Å; W425-K428 HydrophobicContact CD2-CD 3.91Å; W425-K428 HydrophobicContact CE3-CB 4.16Å; W425-K428 HydrophobicContact CE3-CD 3.41Å; W425-K428 VanDerWaalsContact CE3-CD 3.41Å; W425-K428 HydrophobicContact CE3-CG 4.34Å; W425-K428 HydrophobicContact CH2-CD 4.06Å; W425-K428 HydrophobicContact CZ2-CD 4.5Å; W425-K428 HydrophobicContact CZ3-CD 3.5Å; W425-K428 PolarHBondContact O-N 3.34Å; W425-K428 VanDerWaalsContact O-N 3.16Å; K428-F431 PolarHBondContact O-N 3.49Å; K428-A432 PolarHBondContact O-N 3.49Å; K428-I539 HydrophobicContact CB-CG2 3.66Å; K428-I539 HydrophobicContact CD-CG2 4.35Å; K428-I539 WeakPolarHBondContact CD-O 3.2Å; K428-I539 WeakPolarHBondContact CE-O 3.14Å; K428-I539 HydrophobicContact CG-CG2 3.84Å; K428-I539 PolarHBondContact NZ-O 3.25Å; K428-I540 PolarHBondContact NZ-O 3.2Å; K428-F576 HydrophobicContact CB-CE1 4.06Å; K428-F576 HydrophobicContact CB-CZ 4.22Å
429	V	97.8	Very high	91.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.9	-41.5	176.7	173.4	0	0	0	0	112.1	W425 Q427 F431 A432 K433 F576 F601 L604 L608	W425-V429 WeakPolarHBondContact O-CG2 3.46Å; W425-V429 PolarHBondContact O-N 2.76Å; Q427-V429 VanDerWaalsContact C-N 3.3Å; Q427-V429 PolarHBondContact O-N 2.98Å; V429-F431 VanDerWaalsContact C-N 3.29Å; V429-F431 PolarHBondContact O-N 3.32Å; V429-A432 WeakPolarHBondContact O-CB 3.4Å; V429-A432 PolarHBondContact O-N 2.93Å; V429-K433 PolarHBondContact O-N 3.24Å; V429-F576 HydrophobicContact CB-CE2 4.46Å; V429-F576 HydrophobicContact CG2-CD1 4.38Å; V429-F576 HydrophobicContact CG2-CD2 3.8Å; V429-F576 HydrophobicContact CG2-CE1 4.34Å; V429-F576 HydrophobicContact CG2-CE2 3.78Å; V429-F576 HydrophobicContact CG2-CG 4.13Å; V429-F576 HydrophobicContact CG2-CZ 4.06Å; V429-F601 HydrophobicContact CG1-CB 4.23Å; V429-F601 VanDerWaalsContact CG1-O 3.23Å; V429-F601 WeakPolarHBondContact CG1-O 3.3Å; V429-L604 HydrophobicContact CG1-CB 3.72Å; V429-L604 HydrophobicContact CG2-CB 4.45Å; V429-L608 HydrophobicContact CB-CD1 4.37Å; V429-L608 HydrophobicContact CG2-CD1 3.75Å
430	R	96.8	Very high	92.9	Very high	122 Å²	122	38.6 Å²	38.6	46%	0.46	20%	0.2	S	C	.	.	H	α-helix	trans	-61.2	-36.5	173.5	-76.7	174	-174.3	135.7	5.4	112.8	Q426 Q427 K433 G434	Q426-R430 VanDerWaalsContact O-CG 3.28Å; Q426-R430 WeakPolarHBondContact O-CG 3.25Å; Q426-R430 PolarHBondContact O-N 3.24Å; Q427-R430 PolarHBondContact O-N 3.39Å; R430-K433 PolarHBondContact O-N 2.9Å; R430-G434 PolarHBondContact O-N 3.27Å
431	F	97.6	Very high	94.6	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-46.3	175.1	-81.2	25.7	0	0	0	110.9	L413 F416 F423 Q427 K428 V429 K433 G434 I435 I459 K463 V465 I539	L413-F431 HydrophobicContact CD1-CD2 3.7Å; L413-F431 HydrophobicContact CD1-CE2 3.96Å; F416-F431 AromaticContact CD1-CE2 3.67Å; F416-F431 HydrophobicContact CD1-CE2 3.67Å; F416-F431 HydrophobicContact CD1-CZ 4.29Å; F416-F431 AromaticContact CE1-CE2 3.73Å; F416-F431 HydrophobicContact CE1-CE2 3.73Å; F416-F431 HydrophobicContact CE1-CZ 4.08Å; F423-F431 AromaticContact CE2-CD2 3.91Å; F423-F431 HydrophobicContact CE2-CD2 3.91Å; F423-F431 HydrophobicContact CE2-CE2 4.02Å; F423-F431 HydrophobicContact CE2-CG 4.27Å; F423-F431 HydrophobicContact CE2-CZ 4.47Å; F423-F431 AromaticContact CZ-CD2 3.54Å; F423-F431 HydrophobicContact CZ-CD2 3.54Å; F423-F431 AromaticContact CZ-CE2 3.93Å; F423-F431 HydrophobicContact CZ-CE2 3.93Å; F423-F431 HydrophobicContact CZ-CG 4.12Å; Q427-F431 HydrophobicContact CG-CD1 4.01Å; Q427-F431 HydrophobicContact CG-CE1 3.71Å; Q427-F431 HydrophobicContact CG-CZ 4.3Å; Q427-F431 WeakPolarHBondContact O-CD1 3.41Å; Q427-F431 PolarHBondContact O-N 2.65Å; K428-F431 PolarHBondContact O-N 3.49Å; V429-F431 VanDerWaalsContact C-N 3.29Å; V429-F431 PolarHBondContact O-N 3.32Å; F431-K433 PolarHBondContact O-N 3.07Å; F431-G434 PolarHBondContact O-N 3.38Å; F431-I435 WeakPolarHBondContact O-CG1 3.27Å; F431-I435 PolarHBondContact O-N 3.41Å; F431-I435 VanDerWaalsContact O-N 3.07Å; F431-I459 HydrophobicContact CE2-CD1 3.57Å; F431-I459 HydrophobicContact CE2-CG1 4.2Å; F431-I459 HydrophobicContact CZ-CD1 3.97Å; F431-I459 HydrophobicContact CZ-CG1 4.31Å; F431-I459 HydrophobicContact CZ-CG2 4.33Å; F431-K463 HydrophobicContact CE1-CB 4.08Å; F431-K463 VanDerWaalsContact CE1-O 3.23Å; F431-K463 WeakPolarHBondContact CE1-O 3.47Å; F431-K463 HydrophobicContact CZ-CB 4.45Å; F431-V465 HydrophobicContact CB-CG2 3.89Å; F431-V465 HydrophobicContact CD1-CG2 3.44Å; F431-V465 VanDerWaalsContact CD1-CG2 3.44Å; F431-V465 HydrophobicContact CD2-CG2 3.78Å; F431-V465 HydrophobicContact CE1-CG2 3.78Å; F431-V465 HydrophobicContact CE2-CG2 4.1Å; F431-V465 HydrophobicContact CG-CG2 3.42Å; F431-V465 VanDerWaalsContact CG-CG2 3.42Å; F431-V465 HydrophobicContact CZ-CG2 4.09Å; F431-I539 HydrophobicContact CB-CD1 4.39Å
432	A	98.4	Very high	95.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57	-47.5	173.4	0	0	0	0	0	112.4	K428 V429 I435 A436 F532 L536 F576 F601	K428-A432 PolarHBondContact O-N 3.49Å; V429-A432 WeakPolarHBondContact O-CB 3.4Å; V429-A432 PolarHBondContact O-N 2.93Å; A432-I435 PolarHBondContact O-N 3.5Å; A432-A436 VanDerWaalsContact O-CB 3.32Å; A432-A436 WeakPolarHBondContact O-CB 3.4Å; A432-A436 PolarHBondContact O-N 3.41Å; A432-F532 HydrophobicContact CB-CZ 4.44Å; A432-L536 HydrophobicContact CB-CD2 3.48Å; A432-L536 VanDerWaalsContact CB-CD2 3.48Å; A432-F576 HydrophobicContact CB-CE2 3.76Å; A432-F576 HydrophobicContact CB-CZ 4.15Å; A432-F601 HydrophobicContact CB-CD1 3.9Å; A432-F601 HydrophobicContact CB-CD2 3.98Å; A432-F601 HydrophobicContact CB-CE1 3.98Å; A432-F601 HydrophobicContact CB-CE2 4.06Å; A432-F601 HydrophobicContact CB-CG 3.92Å; A432-F601 HydrophobicContact CB-CZ 4.07Å
433	K	98.4	Very high	96.2	Very high	50 Å²	50	23.8 Å²	23.8	22%	0.217	11%	0.114	C	C	.	.	H	α-helix	trans	-58.3	-49.9	175.2	-169.4	-157.2	173.4	-177.4	0	111.7	V429 R430 F431 I435 A436 S437 E598 F601 E602	V429-K433 PolarHBondContact O-N 3.24Å; R430-K433 PolarHBondContact O-N 2.9Å; F431-K433 PolarHBondContact O-N 3.07Å; K433-I435 PolarHBondContact O-N 3.42Å; K433-A436 PolarHBondContact O-N 3.5Å; K433-S437 VanDerWaalsContact O-CB 3.29Å; K433-S437 WeakPolarHBondContact O-CB 3.28Å; K433-S437 PolarHBondContact O-N 3.01Å; K433-E598 HydrophobicContact CG-CG 4.29Å; K433-F601 HydrophobicContact CB-CB 3.7Å; K433-F601 HydrophobicContact CG-CB 4.24Å; K433-E602 HydrophobicContact CD-CB 4.38Å; K433-E602 WeakPolarHBondContact CD-OE2 3.32Å; K433-E602 VanDerWaalsContact CE-OE2 3.26Å; K433-E602 WeakPolarHBondContact CE-OE2 3.38Å; K433-E602 IonicContact NZ-OE1 2.89Å; K433-E602 PolarHBondContact NZ-OE1 2.76Å; K433-E602 IonicContact NZ-OE2 2.73Å; K433-E602 PolarHBondContact NZ-OE2 2.97Å
434	G	98.2	Very high	96.2	Very high	7 Å²	7	27 Å²	27	7%	0.072	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-44.4	-177.7	0	0	0	0	0	112.7	N387 R430 F431 G438	N387-G434 WeakPolarHBondContact CB-O 3.34Å; R430-G434 PolarHBondContact O-N 3.27Å; F431-G434 PolarHBondContact O-N 3.38Å; G434-G438 PolarHBondContact O-N 3.4Å
435	I	98.5	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-46	175.4	-61.5	163.4	0	0	0	110.5	L413 F431 A432 K433 S437 G438 M439 L452 C457 V465 V467 F532 V535 I539	L413-I435 HydrophobicContact CD2-CD1 4.02Å; F431-I435 WeakPolarHBondContact O-CG1 3.27Å; F431-I435 PolarHBondContact O-N 3.41Å; F431-I435 VanDerWaalsContact O-N 3.07Å; A432-I435 PolarHBondContact O-N 3.5Å; K433-I435 PolarHBondContact O-N 3.42Å; I435-S437 VanDerWaalsContact C-N 3.34Å; I435-S437 PolarHBondContact O-N 2.85Å; I435-G438 PolarHBondContact O-N 3.4Å; I435-M439 HydrophobicContact CG2-CG 4.4Å; I435-M439 WeakPolarHBondContact O-CB 3.48Å; I435-M439 WeakPolarHBondContact O-CG 3.23Å; I435-M439 PolarHBondContact O-N 2.85Å; I435-L452 HydrophobicContact CG2-CD1 4.33Å; I435-L452 HydrophobicContact CG2-CD2 4.5Å; I435-C457 HydrophobicContact CD1-CB 4.45Å; I435-V465 HydrophobicContact CD1-CG1 4.09Å; I435-V465 HydrophobicContact CG1-CB 4.35Å; I435-V465 HydrophobicContact CG1-CG1 3.6Å; I435-V467 HydrophobicContact CG2-CG2 4.24Å; I435-F532 HydrophobicContact CB-CD2 4.3Å; I435-F532 HydrophobicContact CB-CE2 3.84Å; I435-F532 HydrophobicContact CG2-CD2 3.58Å; I435-F532 HydrophobicContact CG2-CE2 3.65Å; I435-V535 HydrophobicContact CD1-CG1 4.13Å; I435-I539 HydrophobicContact CD1-CD1 4.23Å
436	A	98.6	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-41.8	178.9	0	0	0	0	0	112.4	A432 K433 M439 A440 F532 F594 L597 E598 F601	A432-A436 VanDerWaalsContact O-CB 3.32Å; A432-A436 WeakPolarHBondContact O-CB 3.4Å; A432-A436 PolarHBondContact O-N 3.41Å; K433-A436 PolarHBondContact O-N 3.5Å; A436-M439 PolarHBondContact O-N 3.37Å; A436-A440 WeakPolarHBondContact O-CB 3.49Å; A436-A440 PolarHBondContact O-N 2.95Å; A436-F532 HydrophobicContact CB-CE1 4.4Å; A436-F532 HydrophobicContact CB-CZ 4.07Å; A436-F594 HydrophobicContact CB-CD1 4.17Å; A436-L597 HydrophobicContact CB-CB 4.19Å; A436-E598 HydrophobicContact CB-CB 4.33Å; A436-F601 HydrophobicContact CB-CD2 4.1Å; A436-F601 HydrophobicContact CB-CE2 4.27Å
437	S	98.6	Very high	94.9	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.063	13%	0.13	C	C	.	.	H	α-helix	trans	-62.3	-48.7	175.9	-170.2	0	0	0	0	112.2	H385 K433 I435 M439 A440 Y441 E598	H385-S437 PolarHBondContact CE1-OG 3.42Å; H385-S437 VanDerWaalsContact CE1-OG 3.26Å; K433-S437 VanDerWaalsContact O-CB 3.29Å; K433-S437 WeakPolarHBondContact O-CB 3.28Å; K433-S437 PolarHBondContact O-N 3.01Å; I435-S437 VanDerWaalsContact C-N 3.34Å; I435-S437 PolarHBondContact O-N 2.85Å; S437-M439 VanDerWaalsContact C-N 3.3Å; S437-M439 PolarHBondContact O-N 3.3Å; S437-A440 PolarHBondContact O-N 3.42Å; S437-Y441 PolarHBondContact O-N 3.29Å; S437-E598 VanDerWaalsContact CB-CD 3.44Å; S437-E598 WeakPolarHBondContact CB-OE1 3.34Å; S437-E598 VanDerWaalsContact OG-CD 3.31Å; S437-E598 PolarHBondContact OG-OE1 3.22Å
438	G	97.4	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-39.5	174.8	0	0	0	0	0	113	V388 G434 I435 L442	V388-G438 WeakPolarHBondContact CG2-O 3.15Å; G434-G438 PolarHBondContact O-N 3.4Å; I435-G438 PolarHBondContact O-N 3.4Å; G438-L442 WeakPolarHBondContact O-CD1 3.47Å; G438-L442 VanDerWaalsContact O-CG 3.29Å; G438-L442 WeakPolarHBondContact O-CG 3.47Å; G438-L442 PolarHBondContact O-N 2.89Å; G438-L442 VanDerWaalsContact O-N 3.11Å
439	M	97.6	Very high	94.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-72.3	-38.3	176.4	-73.1	-57.7	-46.5	0	0	113.4	I435 A436 S437 Y441 L442 H443 H449 L452 V467 D528 F594	I435-M439 HydrophobicContact CG2-CG 4.4Å; I435-M439 WeakPolarHBondContact O-CB 3.48Å; I435-M439 WeakPolarHBondContact O-CG 3.23Å; I435-M439 PolarHBondContact O-N 2.85Å; A436-M439 PolarHBondContact O-N 3.37Å; S437-M439 VanDerWaalsContact C-N 3.3Å; S437-M439 PolarHBondContact O-N 3.3Å; M439-Y441 VanDerWaalsContact C-N 3.31Å; M439-Y441 PolarHBondContact O-N 3.22Å; M439-L442 PolarHBondContact O-N 3.27Å; M439-L442 HydrophobicContact SD-CD1 3.87Å; M439-H443 WeakPolarHBondContact O-CB 3.47Å; M439-H443 PolarHBondContact O-N 3.12Å; M439-H449 HydrophobicContact CE-CB 3.88Å; M439-H449 HydrophobicContact SD-CB 4.14Å; M439-L452 HydrophobicContact CE-CD2 4.49Å; M439-L452 HydrophobicContact CG-CD2 3.88Å; M439-L452 HydrophobicContact SD-CD1 4.14Å; M439-L452 HydrophobicContact SD-CD2 3.91Å; M439-V467 HydrophobicContact CG-CG2 4.4Å; M439-V467 HydrophobicContact SD-CG1 4.07Å; M439-D528 HydrophobicContact CE-CB 3.62Å; M439-D528 WeakPolarHBondContact CE-OD2 3.42Å; M439-F594 HydrophobicContact CB-CB 4.32Å; M439-F594 HydrophobicContact CB-CD1 3.53Å; M439-F594 HydrophobicContact CB-CD2 3.72Å; M439-F594 HydrophobicContact CB-CE1 3.55Å; M439-F594 HydrophobicContact CB-CE2 3.75Å; M439-F594 HydrophobicContact CB-CG 3.6Å; M439-F594 HydrophobicContact CB-CZ 3.66Å; M439-F594 HydrophobicContact CE-CD2 4.47Å; M439-F594 HydrophobicContact CE-CE2 3.86Å; M439-F594 HydrophobicContact CE-CZ 4.16Å; M439-F594 HydrophobicContact CG-CD1 4.35Å; M439-F594 HydrophobicContact CG-CE1 3.87Å; M439-F594 HydrophobicContact CG-CE2 4.24Å; M439-F594 HydrophobicContact CG-CZ 3.8Å
440	A	97.6	Very high	93.8	Very high	17 Å²	17	24.3 Å²	24.3	14%	0.14	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-43.5	173.2	0	0	0	0	0	110.9	A436 S437 H443 S444 F594	A436-A440 WeakPolarHBondContact O-CB 3.49Å; A436-A440 PolarHBondContact O-N 2.95Å; S437-A440 PolarHBondContact O-N 3.42Å; A440-H443 PolarHBondContact O-N 3Å; A440-S444 WeakPolarHBondContact O-CB 3.3Å; A440-S444 PolarHBondContact O-N 3.02Å; A440-F594 HydrophobicContact CB-CB 3.85Å
441	Y	95.8	Very high	93.4	Very high	46 Å²	46	19.3 Å²	19.3	18%	0.18	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-48.6	174	178	-97	0	0	0	112.1	S382 L383 D384 H385 V388 S437 M439 H443 S444 M445	S382-Y441 PolarHBondContact O-OH 3.35Å; L383-Y441 WeakPolarHBondContact CA-OH 3.38Å; L383-Y441 HydrophobicContact CB-CE1 4.14Å; L383-Y441 HydrophobicContact CD2-CE1 3.7Å; L383-Y441 HydrophobicContact CG-CE1 4.49Å; D384-Y441 PolarHBondContact N-OH 2.82Å; H385-Y441 HydrophobicContact CB-CD1 3.62Å; H385-Y441 HydrophobicContact CB-CD2 4.01Å; H385-Y441 HydrophobicContact CB-CE1 3.78Å; H385-Y441 HydrophobicContact CB-CE2 4.18Å; H385-Y441 HydrophobicContact CB-CG 3.72Å; H385-Y441 AromaticContact CD2-CD2 3.73Å; H385-Y441 AromaticContact CD2-CG 3.8Å; H385-Y441 AromaticContact CG-CG 3.7Å; V388-Y441 HydrophobicContact CG2-CD1 4.01Å; S437-Y441 PolarHBondContact O-N 3.29Å; M439-Y441 VanDerWaalsContact C-N 3.31Å; M439-Y441 PolarHBondContact O-N 3.22Å; Y441-H443 PolarHBondContact O-N 3.2Å; Y441-S444 WeakPolarHBondContact O-CB 3.37Å; Y441-S444 PolarHBondContact O-N 3.31Å; Y441-S444 VanDerWaalsContact O-N 3.16Å; Y441-S444 PolarHBondContact O-OG 3.04Å; Y441-M445 HydrophobicContact CE1-CG 4.21Å; Y441-M445 WeakPolarHBondContact O-CG 3.37Å; Y441-M445 PolarHBondContact O-N 2.95Å; Y441-M445 VanDerWaalsContact O-N 3.08Å
442	L	91.6	Very high	93.2	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-43.6	177.7	-70.9	164	0	0	0	112.3	L383 V388 G438 M439 S444 M445 C446 I447 V467 F470	L383-L442 HydrophobicContact CD1-CD2 3.8Å; L383-L442 HydrophobicContact CD2-CD2 4.39Å; V388-L442 HydrophobicContact CG1-CD2 4.12Å; V388-L442 HydrophobicContact CG2-CD1 4.44Å; V388-L442 HydrophobicContact CG2-CG 4.27Å; G438-L442 WeakPolarHBondContact O-CD1 3.47Å; G438-L442 VanDerWaalsContact O-CG 3.29Å; G438-L442 WeakPolarHBondContact O-CG 3.47Å; G438-L442 PolarHBondContact O-N 2.89Å; G438-L442 VanDerWaalsContact O-N 3.11Å; M439-L442 PolarHBondContact O-N 3.27Å; M439-L442 HydrophobicContact SD-CD1 3.87Å; L442-S444 VanDerWaalsContact C-N 3.34Å; L442-S444 PolarHBondContact O-N 3.34Å; L442-M445 CarbonylContact O-C 3.51Å; L442-M445 PolarHBondContact O-N 3.11Å; L442-M445 VanDerWaalsContact O-N 3.15Å; L442-C446 PolarHBondContact O-N 3.42Å; L442-I447 HydrophobicContact CB-CB 4.47Å; L442-I447 HydrophobicContact CD2-CD1 3.99Å; L442-I447 WeakPolarHBondContact O-CB 3.33Å; L442-I447 PolarHBondContact O-N 3.2Å; L442-V467 HydrophobicContact CD1-CG1 4.16Å; L442-F470 HydrophobicContact CD1-CE1 3.74Å; L442-F470 HydrophobicContact CD2-CD1 4.37Å; L442-F470 HydrophobicContact CD2-CE1 3.94Å; L442-F470 HydrophobicContact CD2-CZ 4.5Å
443	H	92.4	Very high	93	Very high	38 Å²	38	19.5 Å²	19.5	18%	0.176	11%	0.109	C	C	.	.	H	α-helix	trans	-66	-35.7	176.3	-74.8	-161.1	0	0	0	112	M439 A440 Y441 M445 C446 I447 E525 D528 F594	M439-H443 WeakPolarHBondContact O-CB 3.47Å; M439-H443 PolarHBondContact O-N 3.12Å; A440-H443 PolarHBondContact O-N 3Å; Y441-H443 PolarHBondContact O-N 3.2Å; H443-M445 PolarHBondContact O-N 3.01Å; H443-C446 WeakPolarHBondContact O-CA 3.35Å; H443-C446 PolarHBondContact O-N 3.36Å; H443-I447 PolarHBondContact CD2-O 2.6Å; H443-I447 VanDerWaalsContact CD2-O 3.23Å; H443-E525 PolarHBondContact CE1-O 3.04Å; H443-D528 IonicContact CD2-OD2 3.44Å; H443-D528 IonicContact CE1-OD2 2.69Å; H443-D528 IonicContact NE2-OD2 3.75Å; H443-D528 PolarHBondContact NE2-OD2 2.82Å; H443-F594 AromaticContact CE1-CD2 3.44Å; H443-F594 VanDerWaalsContact CE1-CD2 3.44Å; H443-F594 WeakPolarHBondContact CE1-CD2 3.37Å; H443-F594 AromaticContact CE1-CE2 3.53Å; H443-F594 AromaticContact ND1-CD2 3.55Å
444	S	90.8	Very high	92.8	Very high	83 Å²	83	17.1 Å²	17.1	58%	0.58	10%	0.099	S	C	*	.	H	α-helix	trans	-64.5	-28	173.3	83.8	0	0	0	0	113.1	A440 Y441 L442 C446	A440-S444 WeakPolarHBondContact O-CB 3.3Å; A440-S444 PolarHBondContact O-N 3.02Å; Y441-S444 WeakPolarHBondContact O-CB 3.37Å; Y441-S444 PolarHBondContact O-N 3.31Å; Y441-S444 VanDerWaalsContact O-N 3.16Å; Y441-S444 PolarHBondContact O-OG 3.04Å; L442-S444 VanDerWaalsContact C-N 3.34Å; L442-S444 PolarHBondContact O-N 3.34Å; S444-C446 PolarHBondContact O-N 2.74Å
445	M	85.8	Confident	92.4	Very high	62 Å²	62	20.2 Å²	20.2	31%	0.305	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	10.9	173.1	-64.3	-66.6	-76.4	0	0	112.9	S382 L383 Y441 L442 H443 I447	S382-M445 WeakPolarHBondContact OG-CE 3.49Å; L383-M445 HydrophobicContact CD2-CB 4.22Å; L383-M445 HydrophobicContact CD2-CE 4.19Å; L383-M445 HydrophobicContact CD2-CG 4Å; Y441-M445 HydrophobicContact CE1-CG 4.21Å; Y441-M445 WeakPolarHBondContact O-CG 3.37Å; Y441-M445 PolarHBondContact O-N 2.95Å; Y441-M445 VanDerWaalsContact O-N 3.08Å; L442-M445 CarbonylContact O-C 3.51Å; L442-M445 PolarHBondContact O-N 3.11Å; L442-M445 VanDerWaalsContact O-N 3.15Å; H443-M445 PolarHBondContact O-N 3.01Å; M445-I447 VanDerWaalsContact C-N 3.34Å; M445-I447 HydrophobicContact CB-CD1 4Å; M445-I447 HydrophobicContact CB-CG1 4.21Å; M445-I447 PolarHBondContact O-N 3.2Å
446	C	84.9	Confident	92.1	Very high	46 Å²	46	21.1 Å²	21.1	31%	0.311	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	33.9	-176.9	-64.2	0	0	0	0	114.5	L442 H443 S444 L475 I476	L442-C446 PolarHBondContact O-N 3.42Å; H443-C446 WeakPolarHBondContact O-CA 3.35Å; H443-C446 PolarHBondContact O-N 3.36Å; S444-C446 PolarHBondContact O-N 2.74Å; C446-L475 HydrophobicContact CB-CD1 4.26Å; C446-I476 HydrophobicContact CB-CB 4.3Å; C446-I476 PolarHBondContact O-N 2.69Å
447	I	85.6	Confident	92	Very high	10 Å²	10	21.1 Å²	21.1	5%	0.051	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.6	179.6	-53.8	169	0	0	0	109.8	V379 L383 L442 H443 M445	V379-I447 HydrophobicContact CG1-CD1 3.45Å; V379-I447 VanDerWaalsContact CG1-CD1 3.45Å; V379-I447 HydrophobicContact CG1-CG1 3.91Å; L383-I447 HydrophobicContact CD1-CD1 4.06Å; L383-I447 HydrophobicContact CD2-CD1 3.72Å; L383-I447 HydrophobicContact CG-CD1 4.42Å; L442-I447 HydrophobicContact CB-CB 4.47Å; L442-I447 HydrophobicContact CD2-CD1 3.99Å; L442-I447 WeakPolarHBondContact O-CB 3.33Å; L442-I447 PolarHBondContact O-N 3.2Å; H443-I447 PolarHBondContact CD2-O 2.6Å; H443-I447 VanDerWaalsContact CD2-O 3.23Å; M445-I447 VanDerWaalsContact C-N 3.34Å; M445-I447 HydrophobicContact CB-CD1 4Å; M445-I447 HydrophobicContact CB-CG1 4.21Å; M445-I447 PolarHBondContact O-N 3.2Å
448	I	88.1	Confident	91.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.6	164.3	-45.2	175.8	0	0	0	107.8	R450 S473 R474 I476 Y504 E525 V527 D528	I448-R450 HydrophobicContact CB-CG 4.02Å; I448-R450 HydrophobicContact CG2-CG 3.53Å; I448-S473 CarbonylContact O-C 3.48Å; I448-S473 WeakPolarHBondContact O-CA 3.49Å; I448-S473 WeakPolarHBondContact O-CB 3.37Å; I448-R474 PolarHBondContact N-O 2.78Å; I448-R474 PolarHBondContact O-N 3.48Å; I448-I476 HydrophobicContact CD1-CD1 4.02Å; I448-I476 HydrophobicContact CD1-CG1 3.84Å; I448-I476 HydrophobicContact CG1-CD1 3.71Å; I448-I476 HydrophobicContact CG1-CG1 3.64Å; I448-Y504 HydrophobicContact CD1-CE2 4.1Å; I448-E525 HydrophobicContact CG1-CB 4.48Å; I448-V527 HydrophobicContact CG2-CG2 3.69Å; I448-D528 WeakPolarHBondContact CG2-OD2 3.49Å
449	H	89.9	Confident	91.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.			trans	-75.2	-44.4	-178.3	-162.8	-87.5	0	0	0	112.4	M439 D451 L452 A468 F470 L472 S473 D528	M439-H449 HydrophobicContact CE-CB 3.88Å; M439-H449 HydrophobicContact SD-CB 4.14Å; H449-D451 PolarHBondContact CE1-O 3.36Å; H449-D451 VanDerWaalsContact ND1-C 3.27Å; H449-D451 PolarHBondContact ND1-O 3.08Å; H449-D451 PolarHBondContact O-N 3.3Å; H449-L452 PolarHBondContact ND1-N 3.15Å; H449-L452 VanDerWaalsContact ND1-N 3.2Å; H449-A468 PolarHBondContact CE1-O 3.45Å; H449-A468 VanDerWaalsContact CE1-O 3.25Å; H449-A468 PolarHBondContact NE2-O 3.48Å; H449-A468 VanDerWaalsContact NE2-O 3.13Å; H449-F470 AromaticContact CD2-CD1 3.52Å; H449-F470 AromaticContact CD2-CE1 3.55Å; H449-F470 AromaticContact NE2-CD1 3.47Å; H449-F470 WeakPolarHBondContact NE2-CD1 3.5Å; H449-F470 AromaticContact NE2-CE1 3.47Å; H449-F470 WeakPolarHBondContact NE2-CE1 3.42Å; H449-L472 CarbonylContact O-C 3.57Å; H449-S473 WeakPolarHBondContact O-CA 3.34Å; H449-S473 PolarHBondContact O-N 3.25Å; H449-S473 PolarHBondContact O-OG 3.06Å; H449-D528 PolarHBondContact N-OD1 2.84Å; H449-D528 PolarHBondContact N-OD2 2.84Å
450	R	86.1	Confident	91.4	Very high	18 Å²	18	24.9 Å²	24.9	7%	0.068	13%	0.133	C	C	.	.	S	Bend	trans	64.1	-18.5	179.6	-53.8	-167.6	-66.5	162	1.7	117.2	I448 L472 T505 V507 Y523 D528	I448-R450 HydrophobicContact CB-CG 4.02Å; I448-R450 HydrophobicContact CG2-CG 3.53Å; R450-L472 PolarHBondContact NE-O 2.87Å; R450-L472 PolarHBondContact NH2-O 2.95Å; R450-T505 PolarHBondContact NH1-O 3.23Å; R450-T505 PolarHBondContact NH1-OG1 2.97Å; R450-V507 HydrophobicContact CB-CG2 4.09Å; R450-V507 VanDerWaalsContact CZ-CG2 3.48Å; R450-Y523 WeakPolarHBondContact CD-OH 3.29Å; R450-Y523 HydrophobicContact CG-CE2 4.37Å; R450-Y523 PolarHBondContact NH1-OH 3.14Å; R450-D528 WeakPolarHBondContact CA-OD1 3.36Å; R450-D528 PolarHBondContact N-OD1 3Å
451	D	88.4	Confident	91.1	Very high	17 Å²	17	30.1 Å²	30.1	9%	0.091	16%	0.158	C	C	.	.			trans	-130.5	47.3	173.8	-166	31.5	0	0	0	112.5	H449 N453 N456 L472 G508 N509	H449-D451 PolarHBondContact CE1-O 3.36Å; H449-D451 VanDerWaalsContact ND1-C 3.27Å; H449-D451 PolarHBondContact ND1-O 3.08Å; H449-D451 PolarHBondContact O-N 3.3Å; D451-N453 PolarHBondContact O-ND2 3.16Å; D451-N453 PolarHBondContact OD1-ND2 3.42Å; D451-N456 PolarHBondContact O-ND2 3.47Å; D451-N456 PolarHBondContact OD2-ND2 2.99Å; D451-N456 VanDerWaalsContact OD2-ND2 3.13Å; D451-L472 HydrophobicContact CB-CB 4.15Å; D451-L472 HydrophobicContact CB-CD1 3.74Å; D451-G508 WeakPolarHBondContact OD1-CA 3.09Å; D451-N509 PolarHBondContact OD1-N 3.49Å
452	L	94.8	Very high	90.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.			trans	-74.7	123.3	172.4	-179.2	65.4	0	0	0	109.4	I435 M439 H449 V467 S531 F532 F594	I435-L452 HydrophobicContact CG2-CD1 4.33Å; I435-L452 HydrophobicContact CG2-CD2 4.5Å; M439-L452 HydrophobicContact CE-CD2 4.49Å; M439-L452 HydrophobicContact CG-CD2 3.88Å; M439-L452 HydrophobicContact SD-CD1 4.14Å; M439-L452 HydrophobicContact SD-CD2 3.91Å; H449-L452 PolarHBondContact ND1-N 3.15Å; H449-L452 VanDerWaalsContact ND1-N 3.2Å; L452-V467 HydrophobicContact CD1-CG1 4.08Å; L452-S531 WeakPolarHBondContact O-CB 3.49Å; L452-F532 HydrophobicContact CD2-CB 3.78Å; L452-F594 HydrophobicContact CD2-CZ 4.26Å
453	N	94	Very high	90.9	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-160.9	171.6	-178	62.4	60.8	0	0	0	110.5	D451 H455 N456 C457 W512	D451-N453 PolarHBondContact O-ND2 3.16Å; D451-N453 PolarHBondContact OD1-ND2 3.42Å; N453-H455 VanDerWaalsContact C-N 3.28Å; N453-H455 PolarHBondContact O-N 3.2Å; N453-H455 WeakPolarHBondContact OD1-CA 3.44Å; N453-H455 VanDerWaalsContact OD1-CB 3.27Å; N453-H455 WeakPolarHBondContact OD1-CB 3.49Å; N453-H455 PolarHBondContact OD1-N 2.9Å; N453-N456 PolarHBondContact ND2-ND2 2.67Å; N453-N456 PolarHBondContact O-N 3.38Å; N453-N456 VanDerWaalsContact O-N 3.09Å; N453-N456 PolarHBondContact OD1-N 3.46Å; N453-C457 PolarHBondContact O-N 2.89Å; N453-W512 HydrophobicContact CB-CB 4.34Å; N453-W512 HydrophobicContact CB-CD2 3.34Å; N453-W512 HydrophobicContact CB-CE3 3.66Å; N453-W512 HydrophobicContact CB-CG 3.66Å; N453-W512 HydrophobicContact CB-CH2 4.32Å; N453-W512 HydrophobicContact CB-CZ2 4.04Å; N453-W512 HydrophobicContact CB-CZ3 4.14Å
454	S	94.2	Very high	91	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-70	-13.5	-178	59.4	0	0	0	0	115.5	L413 K414 W512 E538	L413-S454 WeakPolarHBondContact CB-O 3.29Å; L413-S454 PolarHBondContact N-O 3.09Å; K414-S454 PolarHBondContact N-O 3.09Å; S454-W512 WeakPolarHBondContact OG-CZ2 3.46Å; S454-E538 WeakPolarHBondContact CB-OE1 3.4Å; S454-E538 WeakPolarHBondContact CB-OE2 3.18Å; S454-E538 VanDerWaalsContact OG-CD 3.26Å; S454-E538 PolarHBondContact OG-OE1 3.33Å; S454-E538 PolarHBondContact OG-OE2 3.23Å; S454-E538 VanDerWaalsContact OG-OE2 3.11Å
455	H	90	Very high	91.2	Very high	72 Å²	72	33.7 Å²	33.7	33%	0.333	17%	0.172	S	C	.	.	S	Bend	trans	-77.8	-36	167.8	-61.3	-95.4	0	0	0	111.5	T412 K414 N453 C457	T412-H455 WeakPolarHBondContact CG2-O 3.16Å; K414-H455 WeakPolarHBondContact CD-CE1 3.26Å; K414-H455 VanDerWaalsContact CD-NE2 3.27Å; K414-H455 WeakPolarHBondContact CD-NE2 3.39Å; K414-H455 PolarHBondContact NZ-NE2 3.49Å; N453-H455 VanDerWaalsContact C-N 3.28Å; N453-H455 PolarHBondContact O-N 3.2Å; N453-H455 WeakPolarHBondContact OD1-CA 3.44Å; N453-H455 VanDerWaalsContact OD1-CB 3.27Å; N453-H455 WeakPolarHBondContact OD1-CB 3.49Å; N453-H455 PolarHBondContact OD1-N 2.9Å; H455-C457 VanDerWaalsContact C-N 3.29Å; H455-C457 PolarHBondContact O-N 3.04Å
456	N	92.3	Very high	91.7	Very high	19 Å²	19	30.8 Å²	30.8	10%	0.102	16%	0.158	C	C	.	.	S	Bend	trans	-88.3	8.8	-175.5	-69.3	-9.6	0	0	0	113.4	D451 N453 A468 D469	D451-N456 PolarHBondContact O-ND2 3.47Å; D451-N456 PolarHBondContact OD2-ND2 2.99Å; D451-N456 VanDerWaalsContact OD2-ND2 3.13Å; N453-N456 PolarHBondContact ND2-ND2 2.67Å; N453-N456 PolarHBondContact O-N 3.38Å; N453-N456 VanDerWaalsContact O-N 3.09Å; N453-N456 PolarHBondContact OD1-N 3.46Å; N456-A468 WeakPolarHBondContact O-CA 3.38Å; N456-A468 WeakPolarHBondContact O-CB 3.41Å; N456-A468 PolarHBondContact O-N 2.99Å; N456-D469 HydrophobicContact CB-CB 4.49Å
457	C	95.4	Very high	92.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.6	164.1	-66.3	0	0	0	0	108.5	T412 L413 I435 N453 H455 V465	T412-C457 CarbonylContact C-O 3.56Å; T412-C457 WeakPolarHBondContact CA-O 3.49Å; L413-C457 HydrophobicContact CB-CB 3.82Å; L413-C457 HydrophobicContact CD2-CB 4.03Å; L413-C457 PolarHBondContact N-O 3.47Å; I435-C457 HydrophobicContact CD1-CB 4.45Å; N453-C457 PolarHBondContact O-N 2.89Å; H455-C457 VanDerWaalsContact C-N 3.29Å; H455-C457 PolarHBondContact O-N 3.04Å; C457-V465 HydrophobicContact CB-CG1 4.09Å
458	L	94.7	Very high	92.4	Very high	35 Å²	35	28.3 Å²	28.3	18%	0.183	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.8	179.7	-56	179.8	0	0	0	111.2	L389 I408 G411 T412 V465 V466 A468	L389-L458 HydrophobicContact CD1-CD1 4.24Å; L389-L458 HydrophobicContact CD2-CD1 4.27Å; I408-L458 HydrophobicContact CB-CB 4.06Å; I408-L458 HydrophobicContact CB-CD1 4.11Å; I408-L458 HydrophobicContact CG1-CB 4.13Å; I408-L458 HydrophobicContact CG1-CD1 3.84Å; I408-L458 HydrophobicContact CG2-CB 3.78Å; G411-L458 WeakPolarHBondContact O-CA 3.39Å; T412-L458 HydrophobicContact CG2-CD2 3.98Å; L458-V465 CarbonylContact O-C 3.56Å; L458-V465 WeakPolarHBondContact O-CA 3.26Å; L458-V466 PolarHBondContact N-O 3.12Å; L458-V466 PolarHBondContact O-N 2.9Å; L458-A468 HydrophobicContact CD1-CB 3.74Å; L458-A468 HydrophobicContact CG-CB 3.83Å
459	I	94.3	Very high	91.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.6	-175.8	-64.8	166.4	0	0	0	110.7	I408 G410 G411 L413 F416 F431 K463 V465	I408-I459 VanDerWaalsContact CG2-C 3.41Å; I408-I459 WeakPolarHBondContact CG2-O 3.46Å; G410-I459 CarbonylContact C-O 3.55Å; G410-I459 WeakPolarHBondContact CA-O 3.43Å; G410-I459 PolarHBondContact N-O 3.23Å; G411-I459 PolarHBondContact O-N 2.77Å; L413-I459 HydrophobicContact CB-CD1 4.28Å; L413-I459 HydrophobicContact CD1-CD1 4.12Å; F416-I459 HydrophobicContact CB-CD1 3.45Å; F416-I459 VanDerWaalsContact CB-CD1 3.45Å; F416-I459 HydrophobicContact CD1-CD1 3.96Å; F416-I459 HydrophobicContact CG-CD1 3.71Å; F431-I459 HydrophobicContact CE2-CD1 3.57Å; F431-I459 HydrophobicContact CE2-CG1 4.2Å; F431-I459 HydrophobicContact CZ-CD1 3.97Å; F431-I459 HydrophobicContact CZ-CG1 4.31Å; F431-I459 HydrophobicContact CZ-CG2 4.33Å; I459-K463 HydrophobicContact CG2-CD 4.36Å; I459-V465 HydrophobicContact CG1-CG2 4.39Å
460	K	93.2	Very high	90.7	Very high	51 Å²	51	31.4 Å²	31.4	22%	0.222	16%	0.158	C	C	.	.			trans	-77.5	161.1	172	-73.7	174.8	170.2	170.3	0	110.7	E406 I408 D462 K463 T464 V466	E406-K460 IonicContact OE1-NZ 2.66Å; E406-K460 PolarHBondContact OE1-NZ 2.94Å; E406-K460 VanDerWaalsContact OE2-CE 3.31Å; E406-K460 WeakPolarHBondContact OE2-CE 3.4Å; E406-K460 IonicContact OE2-NZ 3.74Å; E406-K460 PolarHBondContact OE2-NZ 3.33Å; I408-K460 HydrophobicContact CD1-CD 4.25Å; I408-K460 HydrophobicContact CD1-CG 3.88Å; I408-K460 HydrophobicContact CG2-CG 4.01Å; K460-D462 WeakPolarHBondContact CB-OD1 3.41Å; K460-D462 PolarHBondContact O-N 3.48Å; K460-K463 WeakPolarHBondContact O-CA 3.46Å; K460-K463 PolarHBondContact O-N 2.93Å; K460-T464 HydrophobicContact CD-CG2 4.49Å; K460-T464 PolarHBondContact N-O 2.86Å; K460-V466 HydrophobicContact CD-CG2 3.84Å; K460-V466 HydrophobicContact CG-CG2 4.14Å
461	L	90.6	Very high	89.5	Confident	126 Å²	126	32 Å²	32	66%	0.66	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-31	-175.3	-63.5	-179.7	0	0	0	113.4	E409 K463	E409-L461 HydrophobicContact CB-CD1 4.49Å; E409-L461 HydrophobicContact CB-CD2 3.97Å; E409-L461 HydrophobicContact CB-CG 4.16Å; L461-K463 PolarHBondContact O-N 2.74Å
462	D	91.7	Very high	88	Confident	108 Å²	108	32 Å²	32	58%	0.578	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	2.6	171.3	67.8	-19.3	0	0	0	113.9	K460 T464	K460-D462 WeakPolarHBondContact CB-OD1 3.41Å; K460-D462 PolarHBondContact O-N 3.48Å; D462-T464 VanDerWaalsContact C-N 3.27Å; D462-T464 VanDerWaalsContact CG-OG1 3.23Å; D462-T464 PolarHBondContact O-N 3.24Å; D462-T464 VanDerWaalsContact OD1-CB 3.28Å; D462-T464 WeakPolarHBondContact OD1-CB 3.15Å; D462-T464 PolarHBondContact OD1-N 2.96Å; D462-T464 PolarHBondContact OD1-OG1 2.71Å; D462-T464 WeakPolarHBondContact OD2-CB 3.27Å; D462-T464 PolarHBondContact OD2-OG1 2.94Å
463	K	91.1	Very high	86.7	Confident	92 Å²	92	32.7 Å²	32.7	40%	0.4	17%	0.174	S	C	.	.			trans	66.2	17.9	-172.2	-50	-62	-170.6	175.7	0	114.5	F431 I459 K460 L461 V465	F431-K463 HydrophobicContact CE1-CB 4.08Å; F431-K463 VanDerWaalsContact CE1-O 3.23Å; F431-K463 WeakPolarHBondContact CE1-O 3.47Å; F431-K463 HydrophobicContact CZ-CB 4.45Å; I459-K463 HydrophobicContact CG2-CD 4.36Å; K460-K463 WeakPolarHBondContact O-CA 3.46Å; K460-K463 PolarHBondContact O-N 2.93Å; L461-K463 PolarHBondContact O-N 2.74Å; K463-V465 PolarHBondContact O-N 3.11Å
464	T	94.6	Very high	85.4	Confident	41 Å²	41	36.6 Å²	36.6	25%	0.252	19%	0.189	S	C	.	.			trans	-69.7	125.1	168.3	-66.6	0	0	0	0	110.5	K460 D462 V466	K460-T464 HydrophobicContact CD-CG2 4.49Å; K460-T464 PolarHBondContact N-O 2.86Å; D462-T464 VanDerWaalsContact C-N 3.27Å; D462-T464 VanDerWaalsContact CG-OG1 3.23Å; D462-T464 PolarHBondContact O-N 3.24Å; D462-T464 VanDerWaalsContact OD1-CB 3.28Å; D462-T464 WeakPolarHBondContact OD1-CB 3.15Å; D462-T464 PolarHBondContact OD1-N 2.96Å; D462-T464 PolarHBondContact OD1-OG1 2.71Å; D462-T464 WeakPolarHBondContact OD2-CB 3.27Å; D462-T464 PolarHBondContact OD2-OG1 2.94Å; T464-V466 HydrophobicContact CG2-CG2 4.4Å
465	V	96.6	Very high	84.2	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.8	175.3	-170.1	0	0	0	0	110.9	N387 F431 I435 C457 L458 I459 K463	N387-V465 WeakPolarHBondContact CB-O 3.11Å; N387-V465 PolarHBondContact ND2-O 3.02Å; F431-V465 HydrophobicContact CB-CG2 3.89Å; F431-V465 HydrophobicContact CD1-CG2 3.44Å; F431-V465 VanDerWaalsContact CD1-CG2 3.44Å; F431-V465 HydrophobicContact CD2-CG2 3.78Å; F431-V465 HydrophobicContact CE1-CG2 3.78Å; F431-V465 HydrophobicContact CE2-CG2 4.1Å; F431-V465 HydrophobicContact CG-CG2 3.42Å; F431-V465 VanDerWaalsContact CG-CG2 3.42Å; F431-V465 HydrophobicContact CZ-CG2 4.09Å; I435-V465 HydrophobicContact CD1-CG1 4.09Å; I435-V465 HydrophobicContact CG1-CB 4.35Å; I435-V465 HydrophobicContact CG1-CG1 3.6Å; C457-V465 HydrophobicContact CB-CG1 4.09Å; L458-V465 CarbonylContact O-C 3.56Å; L458-V465 WeakPolarHBondContact O-CA 3.26Å; I459-V465 HydrophobicContact CG1-CG2 4.39Å; K463-V465 PolarHBondContact O-N 3.11Å
466	V	96.1	Very high	83	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.6	-174.7	-177.3	0	0	0	0	110	L389 L458 K460 T464	L389-V466 VanDerWaalsContact CA-CG1 3.43Å; L389-V466 HydrophobicContact CB-CG1 3.86Å; L389-V466 HydrophobicContact CD1-CG1 4.15Å; L389-V466 VanDerWaalsContact N-CG1 3.28Å; L458-V466 PolarHBondContact N-O 3.12Å; L458-V466 PolarHBondContact O-N 2.9Å; K460-V466 HydrophobicContact CD-CG2 3.84Å; K460-V466 HydrophobicContact CG-CG2 4.14Å; T464-V466 HydrophobicContact CG2-CG2 4.4Å
467	V	95	Very high	81.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.1	174.6	-177.5	0	0	0	0	109.8	N387 L389 I435 M439 L442 L452 F470	N387-V467 PolarHBondContact O-N 3.23Å; L389-V467 WeakPolarHBondContact CB-O 3.38Å; L389-V467 PolarHBondContact N-O 3.05Å; I435-V467 HydrophobicContact CG2-CG2 4.24Å; M439-V467 HydrophobicContact CG-CG2 4.4Å; M439-V467 HydrophobicContact SD-CG1 4.07Å; L442-V467 HydrophobicContact CD1-CG1 4.16Å; L452-V467 HydrophobicContact CD1-CG1 4.08Å; V467-F470 HydrophobicContact CG1-CE1 4.24Å; V467-F470 WeakPolarHBondContact O-CZ 3.2Å
468	A	89.4	Confident	79.3	Confident	5 Å²	5	44.6 Å²	44.6	4%	0.041	23%	0.233	C	C	.	.			trans	-139	170.8	-170.7	0	0	0	0	0	112.8	L389 H449 N456 L458	L389-A468 HydrophobicContact CB-CB 4.08Å; L389-A468 HydrophobicContact CD2-CB 3.73Å; L389-A468 HydrophobicContact CG-CB 4.45Å; H449-A468 PolarHBondContact CE1-O 3.45Å; H449-A468 VanDerWaalsContact CE1-O 3.25Å; H449-A468 PolarHBondContact NE2-O 3.48Å; H449-A468 VanDerWaalsContact NE2-O 3.13Å; N456-A468 WeakPolarHBondContact O-CA 3.38Å; N456-A468 WeakPolarHBondContact O-CB 3.41Å; N456-A468 PolarHBondContact O-N 2.99Å; L458-A468 HydrophobicContact CD1-CB 3.74Å; L458-A468 HydrophobicContact CG-CB 3.83Å
469	D	75.9	Confident	76.7	Confident	42 Å²	42	48.6 Å²	48.6	23%	0.225	25%	0.251	C	S	.	.			trans	60.9	65.5	179.1	-153.4	-7.9	0	0	0	116.6	K360 N456 G471	K360-D469 IonicContact NZ-OD1 2.68Å; K360-D469 PolarHBondContact NZ-OD1 3.45Å; K360-D469 IonicContact NZ-OD2 2.7Å; K360-D469 PolarHBondContact NZ-OD2 3.4Å; N456-D469 HydrophobicContact CB-CB 4.49Å; D469-G471 PolarHBondContact O-N 3.2Å; D469-G471 PolarHBondContact OD1-N 3.42Å; D469-G471 VanDerWaalsContact OD1-N 3.14Å
470	F	66.3	Low	74	Confident	23 Å²	23	58.1 Å²	58.1	10%	0.101	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-68.8	11.6	170	-46.1	-63	0	0	0	114.3	M380 V388 L389 L442 H449 V467 L472 S473	M380-F470 HydrophobicContact CE-CB 4.43Å; M380-F470 HydrophobicContact CE-CD2 4.17Å; M380-F470 HydrophobicContact SD-CB 4.38Å; V388-F470 HydrophobicContact CG1-CE1 4.39Å; V388-F470 HydrophobicContact CG1-CE2 4.15Å; V388-F470 HydrophobicContact CG1-CZ 3.6Å; L389-F470 HydrophobicContact CB-CE2 4.3Å; L442-F470 HydrophobicContact CD1-CE1 3.74Å; L442-F470 HydrophobicContact CD2-CD1 4.37Å; L442-F470 HydrophobicContact CD2-CE1 3.94Å; L442-F470 HydrophobicContact CD2-CZ 4.5Å; H449-F470 AromaticContact CD2-CD1 3.52Å; H449-F470 AromaticContact CD2-CE1 3.55Å; H449-F470 AromaticContact NE2-CD1 3.47Å; H449-F470 WeakPolarHBondContact NE2-CD1 3.5Å; H449-F470 AromaticContact NE2-CE1 3.47Å; H449-F470 WeakPolarHBondContact NE2-CE1 3.42Å; V467-F470 HydrophobicContact CG1-CE1 4.24Å; V467-F470 WeakPolarHBondContact O-CZ 3.2Å; F470-L472 PolarHBondContact O-N 2.97Å; F470-S473 VanDerWaalsContact CA-OG 3.3Å; F470-S473 WeakPolarHBondContact CA-OG 3.35Å; F470-S473 WeakPolarHBondContact CB-OG 3.46Å; F470-S473 WeakPolarHBondContact O-CB 3.37Å; F470-S473 PolarHBondContact O-N 3.49Å; F470-S473 PolarHBondContact O-OG 2.87Å
471	G	60.3	Low	71.2	Confident	31 Å²	31	64 Å²	64	32%	0.32	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-64.3	-10.7	-177.8	0	0	0	0	0	115.2	D469	D469-G471 PolarHBondContact O-N 3.2Å; D469-G471 PolarHBondContact OD1-N 3.42Å; D469-G471 VanDerWaalsContact OD1-N 3.14Å
472	L	57.9	Low	68.4	Low	18 Å²	18	69.1 Å²	69.1	9%	0.094	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-118.1	3.1	169.8	-77.8	-178.1	0	0	0	114.1	F342 H449 R450 D451 F470 V507 G508	F342-L472 HydrophobicContact CE1-CD1 4.4Å; F342-L472 HydrophobicContact CE1-CD2 3.58Å; F342-L472 HydrophobicContact CE1-CG 3.88Å; F342-L472 HydrophobicContact CE2-CD1 3.85Å; F342-L472 HydrophobicContact CE2-CD2 4.47Å; F342-L472 HydrophobicContact CE2-CG 3.89Å; F342-L472 HydrophobicContact CZ-CD1 3.46Å; F342-L472 VanDerWaalsContact CZ-CD1 3.46Å; F342-L472 HydrophobicContact CZ-CD2 3.49Å; F342-L472 VanDerWaalsContact CZ-CD2 3.49Å; F342-L472 HydrophobicContact CZ-CG 3.37Å; H449-L472 CarbonylContact O-C 3.57Å; R450-L472 PolarHBondContact NE-O 2.87Å; R450-L472 PolarHBondContact NH2-O 2.95Å; D451-L472 HydrophobicContact CB-CB 4.15Å; D451-L472 HydrophobicContact CB-CD1 3.74Å; F470-L472 PolarHBondContact O-N 2.97Å; L472-V507 HydrophobicContact CB-CG2 4.32Å; L472-V507 HydrophobicContact CD1-CB 3.86Å; L472-V507 HydrophobicContact CD1-CG2 4.17Å; L472-V507 HydrophobicContact CD2-CB 3.7Å; L472-V507 HydrophobicContact CD2-CG1 3.95Å; L472-V507 HydrophobicContact CD2-CG2 3.98Å; L472-V507 HydrophobicContact CG-CB 4.32Å; L472-V507 HydrophobicContact CG-CG2 4.4Å; L472-G508 VanDerWaalsContact CD1-N 3.29Å
473	S	66.8	Low	65.7	Low	13 Å²	13	69.5 Å²	69.5	9%	0.091	33%	0.331	C	S	.	.			trans	-63.8	164.1	-178.8	-65.5	0	0	0	0	112.4	I448 H449 F470	I448-S473 CarbonylContact O-C 3.48Å; I448-S473 WeakPolarHBondContact O-CA 3.49Å; I448-S473 WeakPolarHBondContact O-CB 3.37Å; H449-S473 WeakPolarHBondContact O-CA 3.34Å; H449-S473 PolarHBondContact O-N 3.25Å; H449-S473 PolarHBondContact O-OG 3.06Å; F470-S473 VanDerWaalsContact CA-OG 3.3Å; F470-S473 WeakPolarHBondContact CA-OG 3.35Å; F470-S473 WeakPolarHBondContact CB-OG 3.46Å; F470-S473 WeakPolarHBondContact O-CB 3.37Å; F470-S473 PolarHBondContact O-N 3.49Å; F470-S473 PolarHBondContact O-OG 2.87Å
474	R	66.9	Low	63.2	Low	87 Å²	87	70.1 Å²	70.1	33%	0.328	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	132.7	177.4	-166.7	171.7	-170	142.4	4.7	111.6	I448 I476 Y504	I448-R474 PolarHBondContact N-O 2.78Å; I448-R474 PolarHBondContact O-N 3.48Å; R474-I476 PolarHBondContact O-N 2.81Å; R474-Y504 VanDerWaalsContact CZ-CD1 3.47Å
475	L	68.5	Low	60.7	Low	55 Å²	55	77.3 Å²	77.3	29%	0.288	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	125	170.2	-173	70.8	0	0	0	110.2	V379 C446 V477	V379-L475 HydrophobicContact CG2-CD1 4.22Å; V379-L475 HydrophobicContact CG2-CD2 4.24Å; C446-L475 HydrophobicContact CB-CD1 4.26Å; L475-V477 PolarHBondContact O-N 2.93Å
476	I	66.2	Low	58.1	Low	21 Å²	21	85.4 Å²	85.4	11%	0.108	42%	0.415	C	S	.	.			trans	-71.6	96	169.6	-54.5	176.7	0	0	0	107.7	C446 I448 R474 E478 E525	C446-I476 HydrophobicContact CB-CB 4.3Å; C446-I476 PolarHBondContact O-N 2.69Å; I448-I476 HydrophobicContact CD1-CD1 4.02Å; I448-I476 HydrophobicContact CD1-CG1 3.84Å; I448-I476 HydrophobicContact CG1-CD1 3.71Å; I448-I476 HydrophobicContact CG1-CG1 3.64Å; R474-I476 PolarHBondContact O-N 2.81Å; I476-E478 VanDerWaalsContact C-N 3.29Å; I476-E478 PolarHBondContact O-N 2.77Å; I476-E525 HydrophobicContact CD1-CB 4.28Å
477	V	57.2	Low	55.5	Low	85 Å²	85	94.8 Å²	94.8	52%	0.515	46%	0.456	S	S	.	.			trans	-69.7	92	167.3	-176.3	0	0	0	0	108.3	L475 E479 K502	L475-V477 PolarHBondContact O-N 2.93Å; V477-E479 VanDerWaalsContact C-N 3.25Å; V477-E479 PolarHBondContact O-N 2.95Å; V477-K502 PolarHBondContact O-NZ 3.27Å
478	E	52.1	Low	52.8	Low	98 Å²	98	99.9 Å²	99.9	46%	0.458	50%	0.498	S	S	.	.			trans	-61.7	92.3	158.5	-76.4	-155.1	159.1	0	0	108.4	I476 R480 R500	I476-E478 VanDerWaalsContact C-N 3.29Å; I476-E478 PolarHBondContact O-N 2.77Å; E478-R480 PolarHBondContact O-N 3.49Å; E478-R500 IonicContact OE1-CZ 2.83Å; E478-R500 IonicContact OE1-NE 3.28Å; E478-R500 PolarHBondContact OE1-NE 2.78Å; E478-R500 IonicContact OE1-NH2 2.91Å; E478-R500 PolarHBondContact OE1-NH2 3.46Å
479	E	40.7	Very low	50.4	Low	119 Å²	119	105.8 Å²	105.8	56%	0.556	53%	0.534	S	S	*	.			trans	-59.1	95.3	157.7	-79.9	160.6	-117.9	0	0	107.7	V477 K481 K502	V477-E479 VanDerWaalsContact C-N 3.25Å; V477-E479 PolarHBondContact O-N 2.95Å; E479-K481 PolarHBondContact O-N 3.29Å; E479-K502 IonicContact OE1-NZ 2.69Å; E479-K502 PolarHBondContact OE1-NZ 2.8Å
480	R	37.8	Very low	48.9	Very low	203 Å²	203	110.9 Å²	110.9	77%	0.766	57%	0.566	S	S	*	*			trans	-62.5	77.2	160.2	-71	-175.4	177.2	179.2	-0.2	107.9	E478 R482	E478-R480 PolarHBondContact O-N 3.49Å; R480-R482 PolarHBondContact O-N 3.48Å
481	K	34	Very low	47.5	Very low	175 Å²	175	119.2 Å²	119.2	76%	0.761	60%	0.603	S	S	*	*			trans	-51.8	105.9	168.8	-76.3	-177.4	176.6	176.4	0	106.3	E479 P483	E479-K481 PolarHBondContact O-N 3.29Å; K481-P483 VanDerWaalsContact O-N 3.13Å
482	R	31.7	Very low	46.5	Very low	233 Å²	233	127.5 Å²	127.5	88%	0.879	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-55.1	121.5	174.1	-62.6	179.3	-175.9	175.4	1.5	105.6	R480	R480-R482 PolarHBondContact O-N 3.48Å
483	P	34	Very low	45.3	Very low	115 Å²	115	138.2 Å²	138.2	75%	0.747	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-58.1	133.6	178.9	23.8	-32.5	0	0	0	108.1	K481 M485	K481-P483 VanDerWaalsContact O-N 3.13Å; P483-M485 PolarHBondContact O-N 2.9Å
484	P	39.6	Very low	43.8	Very low	106 Å²	106	143.1 Å²	143.1	69%	0.688	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-52	139.1	171.4	-26.4	35.4	0	0	0	109.8	E486	P484-E486 HydrophobicContact CB-CG 4.17Å; P484-E486 PolarHBondContact O-N 2.86Å
485	M	41.8	Very low	42.3	Very low	192 Å²	192	147.5 Å²	147.5	95%	0.946	73%	0.728	S	S	*	*			trans	-78	63.2	-179.2	-165.2	-173.4	76.9	0	0	110.7	P483	P483-M485 PolarHBondContact O-N 2.9Å
486	E	42.1	Very low	40.7	Very low	172 Å²	172	155.4 Å²	155.4	80%	0.804	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-100.3	153.1	178.7	-65	-160.1	149.6	0	0	112.2	P484	P484-E486 HydrophobicContact CB-CG 4.17Å; P484-E486 PolarHBondContact O-N 2.86Å
487	K	40.9	Very low	39.4	Very low	197 Å²	197	162.4 Å²	162.4	86%	0.857	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-79.4	142.1	-154.1	-64.2	169.9	-176.4	171.6	0	112	T489	K487-T489 PolarHBondContact O-N 3.02Å
488	A	39.8	Very low	38.6	Very low	107 Å²	107	165 Å²	165	88%	0.884	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-59.6	118.4	-177.8	0	0	0	0	0	112.2
489	T	37.2	Very low	38.3	Very low	130 Å²	130	167.9 Å²	167.9	80%	0.798	81%	0.813	S	S	*	*			trans	-131.1	141.1	162.1	54.4	0	0	0	0	109.4	K487 K491	K487-T489 PolarHBondContact O-N 3.02Å; T489-K491 PolarHBondContact O-N 3.05Å
490	T	44.3	Very low	39	Very low	148 Å²	148	167.4 Å²	167.4	91%	0.908	81%	0.806	S	S	*	*			trans	-88.3	97.1	-161.1	22.3	0	0	0	0	113.2
491	K	38.9	Very low	40	Very low	198 Å²	198	160.9 Å²	160.9	86%	0.861	78%	0.783	S	S	*	*			trans	-133.5	148.9	162.6	-67.1	-172	179.2	177.5	0	111.1	T489 R493	T489-K491 PolarHBondContact O-N 3.05Å; K491-R493 PolarHBondContact O-N 3.35Å
492	K	37.3	Very low	41.2	Very low	205 Å²	205	155.6 Å²	155.6	89%	0.891	76%	0.76	S	S	*	*			trans	-58.8	129.3	-170.2	-70.5	-179.8	176	179.4	0	111.8	T494	K492-T494 PolarHBondContact O-N 3.46Å
493	R	33.3	Very low	42.5	Very low	243 Å²	243	154 Å²	154	92%	0.917	75%	0.754	S	S	*	*			trans	-75.9	96.9	170.9	-70.2	176.1	66.4	163.4	-0.1	110	K491	K491-R493 PolarHBondContact O-N 3.35Å
494	T	35.2	Very low	43.8	Very low	117 Å²	117	149.8 Å²	149.8	72%	0.718	72%	0.724	S	S	*	*			trans	-73.2	142.1	155.7	44.9	0	0	0	0	109	K492 R496	K492-T494 PolarHBondContact O-N 3.46Å; T494-R496 PolarHBondContact O-N 2.91Å
495	L	36.4	Very low	45.1	Very low	179 Å²	179	148.5 Å²	148.5	94%	0.937	71%	0.714	S	S	*	*			trans	-71.3	99.7	169.6	-93.8	77.5	0	0	0	108.5	K497	L495-K497 PolarHBondContact O-N 2.91Å
496	R	34.7	Very low	46.5	Very low	220 Å²	220	143 Å²	143	83%	0.83	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-74	118.1	158.4	-80.8	-170.8	164.7	-141.1	-4	108.3	T494 N498	T494-R496 PolarHBondContact O-N 2.91Å; R496-N498 PolarHBondContact O-N 3.32Å
497	K	39.1	Very low	47.8	Very low	168 Å²	168	136.2 Å²	136.2	73%	0.73	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-54.3	124.5	160.7	-148	-178.5	179.9	-171.7	0	106.1	L495 E589	L495-K497 PolarHBondContact O-N 2.91Å; K497-E589 IonicContact NZ-OE2 2.64Å; K497-E589 PolarHBondContact NZ-OE2 3.41Å
498	N	39.9	Very low	49.3	Very low	140 Å²	140	128 Å²	128	75%	0.749	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-70.5	141.2	179.2	-74.5	-31.1	0	0	0	109.6	R496 R500	R496-N498 PolarHBondContact O-N 3.32Å; N498-R500 PolarHBondContact O-N 3.15Å
499	D	45.1	Very low	51.3	Low	159 Å²	159	125.1 Å²	125.1	85%	0.85	60%	0.602	S	S	*	*			trans	-63.3	95.9	175.1	-66.3	-69.8	0	0	0	111.1
500	R	56.5	Low	53.5	Low	109 Å²	109	122.5 Å²	122.5	41%	0.411	59%	0.587	S	S	.	*			trans	-78.1	-23.7	176.5	-78	-174.2	165.9	178.4	-4.5	113.5	E478 N498 K502 D524 E525	E478-R500 IonicContact OE1-CZ 2.83Å; E478-R500 IonicContact OE1-NE 3.28Å; E478-R500 PolarHBondContact OE1-NE 2.78Å; E478-R500 IonicContact OE1-NH2 2.91Å; E478-R500 PolarHBondContact OE1-NH2 3.46Å; N498-R500 PolarHBondContact O-N 3.15Å; R500-K502 PolarHBondContact O-N 2.92Å; R500-D524 HydrophobicContact CB-CB 4.39Å; R500-E525 IonicContact CZ-OE1 3.29Å; R500-E525 IonicContact NH1-OE1 3.74Å; R500-E525 PolarHBondContact NH1-OE1 3.05Å
501	K	57.6	Low	55.8	Low	65 Å²	65	119.6 Å²	119.6	28%	0.283	56%	0.56	S	S	.	*			trans	-64.5	89.3	-175.1	-71.8	171.2	172.3	160.1	0	112.2	S522 D524 E589	K501-S522 WeakPolarHBondContact O-CB 3.33Å; K501-D524 WeakPolarHBondContact CE-OD2 3.29Å; K501-D524 HydrophobicContact CG-CB 4.23Å; K501-D524 WeakPolarHBondContact CG-OD2 3.42Å; K501-E589 WeakPolarHBondContact CE-OE1 3.37Å; K501-E589 IonicContact NZ-OE1 2.69Å; K501-E589 PolarHBondContact NZ-OE1 2.91Å
502	K	59.9	Low	58.4	Low	65 Å²	65	110.3 Å²	110.3	28%	0.283	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	-88.8	151.8	171.1	-74.1	178.8	169.4	-175.6	0	110	V477 E479 R500 Y504 S522 Y523	V477-K502 PolarHBondContact O-NZ 3.27Å; E479-K502 IonicContact OE1-NZ 2.69Å; E479-K502 PolarHBondContact OE1-NZ 2.8Å; R500-K502 PolarHBondContact O-N 2.92Å; K502-Y504 HydrophobicContact CB-CD1 4.37Å; K502-Y504 HydrophobicContact CB-CD2 4.37Å; K502-Y504 HydrophobicContact CB-CE1 3.92Å; K502-Y504 HydrophobicContact CB-CE2 3.9Å; K502-Y504 HydrophobicContact CD-CE1 4.23Å; K502-Y504 PolarHBondContact O-N 2.85Å; K502-S522 WeakPolarHBondContact O-CA 3.41Å; K502-S522 WeakPolarHBondContact O-CB 3.23Å; K502-Y523 PolarHBondContact N-O 3.49Å; K502-Y523 PolarHBondContact O-N 3.2Å
503	R	58.1	Low	61.1	Low	199 Å²	199	101.1 Å²	101.1	75%	0.751	48%	0.48	S	S	*	.			trans	-82.4	108.1	168.7	176.6	173.2	-91.8	154.8	-7.8	108.5	G520	R503-G520 PolarHBondContact NE-O 2.9Å; R503-G520 VanDerWaalsContact NE-O 3.1Å; R503-G520 PolarHBondContact NH2-O 3.08Å
504	Y	61.2	Low	64	Low	27 Å²	27	89.6 Å²	89.6	11%	0.106	44%	0.437	C	S	.	.			trans	-104.5	175.7	174.9	-62.5	-57.4	0	0	0	110.9	I448 R474 K502 Y523	I448-Y504 HydrophobicContact CD1-CE2 4.1Å; R474-Y504 VanDerWaalsContact CZ-CD1 3.47Å; K502-Y504 HydrophobicContact CB-CD1 4.37Å; K502-Y504 HydrophobicContact CB-CD2 4.37Å; K502-Y504 HydrophobicContact CB-CE1 3.92Å; K502-Y504 HydrophobicContact CB-CE2 3.9Å; K502-Y504 HydrophobicContact CD-CE1 4.23Å; K502-Y504 PolarHBondContact O-N 2.85Å; Y504-Y523 WeakPolarHBondContact CB-OH 3.35Å; Y504-Y523 HydrophobicContact CD2-CD2 4.13Å; Y504-Y523 AromaticContact CD2-CE2 3.81Å; Y504-Y523 HydrophobicContact CD2-CE2 3.81Å; Y504-Y523 HydrophobicContact CG-CE2 4.45Å
505	T	68.1	Low	66.8	Low	79 Å²	79	84.4 Å²	84.4	49%	0.485	41%	0.405	S	S	.	.			trans	-66.4	140.7	174.3	44.3	0	0	0	0	111.6	R450 Y523	R450-T505 PolarHBondContact NH1-O 3.23Å; R450-T505 PolarHBondContact NH1-OG1 2.97Å; T505-Y523 PolarHBondContact O-OH 3Å
506	V	70.7	Confident	69.4	Low	75 Å²	75	76.4 Å²	76.4	46%	0.455	36%	0.363	S	S	.	.			trans	-77.7	119.7	170.3	-175	0	0	0	0	108	M513 M517	V506-M513 HydrophobicContact CG1-CE 4.29Å; V506-M513 HydrophobicContact CG1-SD 3.72Å; V506-M517 HydrophobicContact CG1-CG 4.26Å; V506-M517 WeakPolarHBondContact CG1-O 3.29Å; V506-M517 VanDerWaalsContact CG2-O 3.27Å; V506-M517 WeakPolarHBondContact CG2-O 3.2Å
507	V	69.5	Low	71.9	Confident	31 Å²	31	65.9 Å²	65.9	19%	0.188	32%	0.323	C	S	.	.			trans	-152.2	161.5	-175.9	-63.9	0	0	0	0	109.6	R450 L472 M513 M517	R450-V507 HydrophobicContact CB-CG2 4.09Å; R450-V507 VanDerWaalsContact CZ-CG2 3.48Å; L472-V507 HydrophobicContact CB-CG2 4.32Å; L472-V507 HydrophobicContact CD1-CB 3.86Å; L472-V507 HydrophobicContact CD1-CG2 4.17Å; L472-V507 HydrophobicContact CD2-CB 3.7Å; L472-V507 HydrophobicContact CD2-CG1 3.95Å; L472-V507 HydrophobicContact CD2-CG2 3.98Å; L472-V507 HydrophobicContact CG-CB 4.32Å; L472-V507 HydrophobicContact CG-CG2 4.4Å; V507-M513 VanDerWaalsContact O-CE 3.25Å; V507-M513 WeakPolarHBondContact O-CE 3.5Å; V507-M517 WeakPolarHBondContact O-CE 3Å
508	G	72.4	Confident	74.1	Confident	24 Å²	24	60.8 Å²	60.8	25%	0.247	30%	0.304	C	S	.	.	S	Bend	trans	106.3	171.2	178.7	0	0	0	0	0	112.6	D451 L472 M513	D451-G508 WeakPolarHBondContact OD1-CA 3.09Å; L472-G508 VanDerWaalsContact CD1-N 3.29Å; G508-M513 WeakPolarHBondContact O-CE 3.32Å
509	N	80.9	Confident	76.2	Confident	46 Å²	46	58.4 Å²	58.4	25%	0.246	29%	0.291	C	S	.	.			trans	-72.8	126.2	-179.9	-170.1	-53.4	0	0	0	111.4	D451 Y511 W512 M513	D451-N509 PolarHBondContact OD1-N 3.49Å; N509-Y511 PolarHBondContact O-N 2.99Å; N509-Y511 VanDerWaalsContact O-N 3.14Å; N509-Y511 WeakPolarHBondContact OD1-CD2 3.45Å; N509-Y511 PolarHBondContact OD1-N 2.99Å; N509-W512 HydrophobicContact CB-CE3 3.79Å; N509-W512 HydrophobicContact CB-CZ3 4.12Å; N509-W512 VanDerWaalsContact CG-CE3 3.48Å; N509-W512 PolarHBondContact O-N 3.3Å; N509-W512 WeakPolarHBondContact OD1-CZ3 3.15Å; N509-M513 PolarHBondContact O-N 2.9Å; N509-M513 VanDerWaalsContact O-N 3.16Å
510	P	85.1	Confident	77.9	Confident	75 Å²	75	52 Å²	52	49%	0.487	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.2	-172.1	25.2	-36.1	0	0	0	114.7	M513 L518	P510-M513 PolarHBondContact O-N 3.28Å; P510-L518 HydrophobicContact CB-CD1 4.45Å
511	Y	90.9	Very high	79.2	Confident	87 Å²	87	52.3 Å²	52.3	34%	0.341	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.5	-177.9	-51.4	-40.9	0	0	0	112.7	N509 D546 P547 R552	N509-Y511 PolarHBondContact O-N 2.99Å; N509-Y511 VanDerWaalsContact O-N 3.14Å; N509-Y511 WeakPolarHBondContact OD1-CD2 3.45Å; N509-Y511 PolarHBondContact OD1-N 2.99Å; Y511-D546 PolarHBondContact OH-OD2 2.64Å; Y511-P547 HydrophobicContact CD1-CG 4.01Å; Y511-P547 HydrophobicContact CE1-CG 4.44Å; Y511-R552 PolarHBondContact O-NH1 3.41Å
512	W	95.5	Very high	80.3	Confident	3 Å²	3	51.9 Å²	51.9	1%	0.011	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.4	175.4	-63.7	-98.9	0	0	0	112.7	N453 S454 N509 A514 S531 I534 E538 A545	N453-W512 HydrophobicContact CB-CB 4.34Å; N453-W512 HydrophobicContact CB-CD2 3.34Å; N453-W512 HydrophobicContact CB-CE3 3.66Å; N453-W512 HydrophobicContact CB-CG 3.66Å; N453-W512 HydrophobicContact CB-CH2 4.32Å; N453-W512 HydrophobicContact CB-CZ2 4.04Å; N453-W512 HydrophobicContact CB-CZ3 4.14Å; S454-W512 WeakPolarHBondContact OG-CZ2 3.46Å; N509-W512 HydrophobicContact CB-CE3 3.79Å; N509-W512 HydrophobicContact CB-CZ3 4.12Å; N509-W512 VanDerWaalsContact CG-CE3 3.48Å; N509-W512 PolarHBondContact O-N 3.3Å; N509-W512 WeakPolarHBondContact OD1-CZ3 3.15Å; W512-A514 PolarHBondContact O-N 3.29Å; W512-S531 WeakPolarHBondContact O-CA 3.45Å; W512-S531 PolarHBondContact O-OG 3.09Å; W512-I534 VanDerWaalsContact CD1-CG2 3.49Å; W512-I534 HydrophobicContact CG-CB 4.41Å; W512-I534 HydrophobicContact CG-CG2 4.07Å; W512-E538 WeakPolarHBondContact CZ2-OE1 3.35Å; W512-E538 WeakPolarHBondContact CZ2-OE2 3.4Å; W512-E538 PolarHBondContact NE1-OE2 2.66Å; W512-A545 HydrophobicContact CD2-CB 4.02Å; W512-A545 VanDerWaalsContact CE2-CB 3.41Å; W512-A545 HydrophobicContact CH2-CB 4Å; W512-A545 HydrophobicContact CZ2-CB 3.41Å; W512-A545 VanDerWaalsContact CZ2-CB 3.41Å
513	M	92.5	Very high	81.5	Confident	13 Å²	13	48.9 Å²	48.9	6%	0.064	26%	0.259	C	S	.	.			trans	-59.5	130.2	-173	-172	169.2	-54.4	0	0	113.3	V506 V507 G508 N509 P510 M517 L518	V506-M513 HydrophobicContact CG1-CE 4.29Å; V506-M513 HydrophobicContact CG1-SD 3.72Å; V507-M513 VanDerWaalsContact O-CE 3.25Å; V507-M513 WeakPolarHBondContact O-CE 3.5Å; G508-M513 WeakPolarHBondContact O-CE 3.32Å; N509-M513 PolarHBondContact O-N 2.9Å; N509-M513 VanDerWaalsContact O-N 3.16Å; P510-M513 PolarHBondContact O-N 3.28Å; M513-M517 HydrophobicContact CE-CE 4.5Å; M513-M517 HydrophobicContact CG-CB 4.13Å; M513-M517 HydrophobicContact CG-CE 3.78Å; M513-M517 HydrophobicContact CG-CG 4.18Å; M513-M517 HydrophobicContact SD-CB 4.48Å; M513-M517 HydrophobicContact SD-CE 4.37Å; M513-M517 HydrophobicContact SD-CG 4.06Å; M513-L518 HydrophobicContact CB-CD1 4.31Å; M513-L518 HydrophobicContact CG-CB 4.21Å; M513-L518 HydrophobicContact CG-CD1 4.24Å; M513-L518 HydrophobicContact SD-CB 4.07Å; M513-L518 HydrophobicContact SD-CD1 3.75Å; M513-L518 HydrophobicContact SD-CG 4.47Å
514	A	94.8	Very high	83.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.			trans	-62	138.2	175.6	0	0	0	0	0	112.1	W512 E516 M517 L518 V527 F530	W512-A514 PolarHBondContact O-N 3.29Å; A514-E516 VanDerWaalsContact C-N 3.28Å; A514-E516 WeakPolarHBondContact CB-OE1 3.45Å; A514-E516 PolarHBondContact O-N 2.85Å; A514-M517 PolarHBondContact O-N 3.48Å; A514-L518 PolarHBondContact O-N 3.2Å; A514-V527 HydrophobicContact CB-CB 3.84Å; A514-V527 HydrophobicContact CB-CG1 4Å; A514-F530 HydrophobicContact CB-CB 3.84Å; A514-F530 HydrophobicContact CB-CD1 4.17Å; A514-F530 HydrophobicContact CB-CG 4.06Å
515	P	93.8	Very high	84.6	Confident	8 Å²	8	40.3 Å²	40.3	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-34.5	-173.7	-26.8	35.4	0	0	0	114	L518 N519 F530 F556 L586	P515-L518 PolarHBondContact O-N 3.01Å; P515-N519 VanDerWaalsContact O-CB 3.31Å; P515-N519 WeakPolarHBondContact O-CB 3.47Å; P515-N519 PolarHBondContact O-N 3.4Å; P515-N519 PolarHBondContact O-ND2 3.47Å; P515-F530 HydrophobicContact CG-CE2 3.91Å; P515-F530 HydrophobicContact CG-CZ 3.93Å; P515-F556 HydrophobicContact CB-CB 4.33Å; P515-F556 HydrophobicContact CG-CB 4.15Å; P515-L586 HydrophobicContact CB-CD2 4.46Å; P515-L586 HydrophobicContact CG-CD2 3.91Å
516	E	92	Very high	86	Confident	11 Å²	11	37.5 Å²	37.5	5%	0.051	21%	0.211	C	C	.	.	H	α-helix	trans	-67.4	-33.9	176.5	67.9	-77.8	-174.9	0	0	113.2	A514 G520 K521 V527 P588 R591	A514-E516 VanDerWaalsContact C-N 3.28Å; A514-E516 WeakPolarHBondContact CB-OE1 3.45Å; A514-E516 PolarHBondContact O-N 2.85Å; E516-G520 PolarHBondContact O-N 3.01Å; E516-K521 HydrophobicContact CB-CB 4.27Å; E516-K521 HydrophobicContact CB-CD 4.12Å; E516-K521 WeakPolarHBondContact O-CB 3.44Å; E516-K521 PolarHBondContact O-N 3.26Å; E516-V527 HydrophobicContact CG-CG1 4.42Å; E516-V527 WeakPolarHBondContact OE1-CG1 3.45Å; E516-P588 HydrophobicContact CG-CG 3.94Å; E516-R591 IonicContact OE1-CZ 2.69Å; E516-R591 IonicContact OE1-NH1 2.85Å; E516-R591 PolarHBondContact OE1-NH1 3.31Å; E516-R591 IonicContact OE1-NH2 2.84Å; E516-R591 PolarHBondContact OE1-NH2 2.91Å; E516-R591 IonicContact OE2-CZ 2.74Å; E516-R591 IonicContact OE2-NH1 3.82Å; E516-R591 IonicContact OE2-NH2 3.79Å; E516-R591 PolarHBondContact OE2-NH2 3.43Å
517	M	87.5	Confident	87.2	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-73.5	-44.5	174.1	-177.4	157.1	69.3	0	0	110.6	V506 V507 M513 A514 N519 G520 Y523 V527	V506-M517 HydrophobicContact CG1-CG 4.26Å; V506-M517 WeakPolarHBondContact CG1-O 3.29Å; V506-M517 VanDerWaalsContact CG2-O 3.27Å; V506-M517 WeakPolarHBondContact CG2-O 3.2Å; V507-M517 WeakPolarHBondContact O-CE 3Å; M513-M517 HydrophobicContact CE-CE 4.5Å; M513-M517 HydrophobicContact CG-CB 4.13Å; M513-M517 HydrophobicContact CG-CE 3.78Å; M513-M517 HydrophobicContact CG-CG 4.18Å; M513-M517 HydrophobicContact SD-CB 4.48Å; M513-M517 HydrophobicContact SD-CE 4.37Å; M513-M517 HydrophobicContact SD-CG 4.06Å; A514-M517 PolarHBondContact O-N 3.48Å; M517-N519 VanDerWaalsContact C-N 3.25Å; M517-N519 PolarHBondContact O-N 3.45Å; M517-G520 PolarHBondContact O-N 3.49Å; M517-Y523 HydrophobicContact CB-CD1 4.1Å; M517-Y523 HydrophobicContact CB-CE1 4.26Å; M517-Y523 HydrophobicContact CG-CD1 4.06Å; M517-Y523 HydrophobicContact CG-CE1 3.69Å; M517-Y523 HydrophobicContact SD-CD1 4.3Å; M517-Y523 HydrophobicContact SD-CD2 4.43Å; M517-Y523 HydrophobicContact SD-CE1 3.65Å; M517-Y523 HydrophobicContact SD-CE2 3.83Å; M517-V527 HydrophobicContact CB-CG1 4.26Å
518	L	84.2	Confident	88.5	Confident	60 Å²	60	32.5 Å²	32.5	31%	0.314	18%	0.181	S	C	.	.	H	α-helix	trans	-57.1	-39.1	175.3	-163.6	91.8	0	0	0	111.9	P510 M513 A514 P515 G520 F556	P510-L518 HydrophobicContact CB-CD1 4.45Å; M513-L518 HydrophobicContact CB-CD1 4.31Å; M513-L518 HydrophobicContact CG-CB 4.21Å; M513-L518 HydrophobicContact CG-CD1 4.24Å; M513-L518 HydrophobicContact SD-CB 4.07Å; M513-L518 HydrophobicContact SD-CD1 3.75Å; M513-L518 HydrophobicContact SD-CG 4.47Å; A514-L518 PolarHBondContact O-N 3.2Å; P515-L518 PolarHBondContact O-N 3.01Å; L518-G520 VanDerWaalsContact C-N 3.3Å; L518-G520 PolarHBondContact O-N 2.96Å; L518-F556 HydrophobicContact CD2-CB 4.43Å; L518-F556 HydrophobicContact CD2-CD1 3.72Å; L518-F556 HydrophobicContact CD2-CD2 3.57Å; L518-F556 HydrophobicContact CD2-CE1 3.75Å; L518-F556 HydrophobicContact CD2-CE2 3.61Å; L518-F556 HydrophobicContact CD2-CG 3.63Å; L518-F556 HydrophobicContact CD2-CZ 3.7Å
519	N	83.6	Confident	89.8	Confident	90 Å²	90	31.5 Å²	31.5	48%	0.481	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	8	177.6	-76.6	-79	0	0	0	114.6	P515 M517 K521	P515-N519 VanDerWaalsContact O-CB 3.31Å; P515-N519 WeakPolarHBondContact O-CB 3.47Å; P515-N519 PolarHBondContact O-N 3.4Å; P515-N519 PolarHBondContact O-ND2 3.47Å; M517-N519 VanDerWaalsContact C-N 3.25Å; M517-N519 PolarHBondContact O-N 3.45Å; N519-K521 HydrophobicContact CB-CD 4.43Å; N519-K521 HydrophobicContact CB-CG 4.15Å; N519-K521 PolarHBondContact O-N 2.79Å
520	G	80.4	Confident	90.6	Very high	24 Å²	24	29.3 Å²	29.3	25%	0.247	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	24.2	177.1	0	0	0	0	0	115.2	R503 E516 M517 L518	R503-G520 PolarHBondContact NE-O 2.9Å; R503-G520 VanDerWaalsContact NE-O 3.1Å; R503-G520 PolarHBondContact NH2-O 3.08Å; E516-G520 PolarHBondContact O-N 3.01Å; M517-G520 PolarHBondContact O-N 3.49Å; L518-G520 VanDerWaalsContact C-N 3.3Å; L518-G520 PolarHBondContact O-N 2.96Å
521	K	83.8	Confident	91.2	Very high	117 Å²	117	25.9 Å²	25.9	51%	0.509	14%	0.136	S	C	.	.			trans	-74.7	172.1	174	-55.5	-179	-174.9	171.7	0	109.7	E516 N519	E516-K521 HydrophobicContact CB-CB 4.27Å; E516-K521 HydrophobicContact CB-CD 4.12Å; E516-K521 WeakPolarHBondContact O-CB 3.44Å; E516-K521 PolarHBondContact O-N 3.26Å; N519-K521 HydrophobicContact CB-CD 4.43Å; N519-K521 HydrophobicContact CB-CG 4.15Å; N519-K521 PolarHBondContact O-N 2.79Å
522	S	81.2	Confident	91.6	Very high	56 Å²	56	21.7 Å²	21.7	39%	0.392	12%	0.119	S	C	.	.			trans	-72.4	144.1	164.6	43.8	0	0	0	0	110.1	K501 K502	K501-S522 WeakPolarHBondContact O-CB 3.33Å; K502-S522 WeakPolarHBondContact O-CA 3.41Å; K502-S522 WeakPolarHBondContact O-CB 3.23Å
523	Y	86.6	Confident	91.8	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.008	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-145.1	170.5	-175.6	68.8	-102.2	0	0	0	111.5	R450 K502 Y504 T505 M517 V527	R450-Y523 WeakPolarHBondContact CD-OH 3.29Å; R450-Y523 HydrophobicContact CG-CE2 4.37Å; R450-Y523 PolarHBondContact NH1-OH 3.14Å; K502-Y523 PolarHBondContact N-O 3.49Å; K502-Y523 PolarHBondContact O-N 3.2Å; Y504-Y523 WeakPolarHBondContact CB-OH 3.35Å; Y504-Y523 HydrophobicContact CD2-CD2 4.13Å; Y504-Y523 AromaticContact CD2-CE2 3.81Å; Y504-Y523 HydrophobicContact CD2-CE2 3.81Å; Y504-Y523 HydrophobicContact CG-CE2 4.45Å; T505-Y523 PolarHBondContact O-OH 3Å; M517-Y523 HydrophobicContact CB-CD1 4.1Å; M517-Y523 HydrophobicContact CB-CE1 4.26Å; M517-Y523 HydrophobicContact CG-CD1 4.06Å; M517-Y523 HydrophobicContact CG-CE1 3.69Å; M517-Y523 HydrophobicContact SD-CD1 4.3Å; M517-Y523 HydrophobicContact SD-CD2 4.43Å; M517-Y523 HydrophobicContact SD-CE1 3.65Å; M517-Y523 HydrophobicContact SD-CE2 3.83Å; Y523-V527 HydrophobicContact CD2-CG1 3.6Å; Y523-V527 HydrophobicContact CD2-CG2 4.15Å; Y523-V527 HydrophobicContact CE2-CG1 4.43Å; Y523-V527 HydrophobicContact CE2-CG2 4.38Å; Y523-V527 HydrophobicContact CG-CG1 3.8Å
524	D	89.9	Confident	92	Very high	9 Å²	9	21 Å²	21	5%	0.048	12%	0.116	C	C	.	.			trans	-144.8	-162.2	-175.1	59.6	37.9	0	0	0	110.2	R500 K501 T526 V527	R500-D524 HydrophobicContact CB-CB 4.39Å; K501-D524 WeakPolarHBondContact CE-OD2 3.29Å; K501-D524 HydrophobicContact CG-CB 4.23Å; K501-D524 WeakPolarHBondContact CG-OD2 3.42Å; D524-T526 PolarHBondContact O-N 3.2Å; D524-T526 VanDerWaalsContact O-N 3.08Å; D524-T526 VanDerWaalsContact OD1-CB 3.3Å; D524-T526 WeakPolarHBondContact OD1-CB 3.48Å; D524-T526 WeakPolarHBondContact OD1-CG2 3.43Å; D524-T526 PolarHBondContact OD1-N 3.27Å; D524-T526 PolarHBondContact OD1-OG1 3.32Å; D524-V527 PolarHBondContact O-N 2.95Å
525	E	93.2	Very high	92.2	Very high	37 Å²	37	21 Å²	21	17%	0.173	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.9	179.5	58.7	-95.1	-146.8	0	0	114.8	H443 I448 I476 R500 V527 D528	H443-E525 PolarHBondContact CE1-O 3.04Å; I448-E525 HydrophobicContact CG1-CB 4.48Å; I476-E525 HydrophobicContact CD1-CB 4.28Å; R500-E525 IonicContact CZ-OE1 3.29Å; R500-E525 IonicContact NH1-OE1 3.74Å; R500-E525 PolarHBondContact NH1-OE1 3.05Å; E525-V527 PolarHBondContact O-N 3.45Å; E525-V527 VanDerWaalsContact O-N 3.16Å; E525-D528 PolarHBondContact O-N 3.14Å
526	T	96.9	Very high	92.4	Very high	20 Å²	20	20.6 Å²	20.6	12%	0.123	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.1	-174.4	60.1	0	0	0	0	115.2	D524 D528 I529 P588 R591	D524-T526 PolarHBondContact O-N 3.2Å; D524-T526 VanDerWaalsContact O-N 3.08Å; D524-T526 VanDerWaalsContact OD1-CB 3.3Å; D524-T526 WeakPolarHBondContact OD1-CB 3.48Å; D524-T526 WeakPolarHBondContact OD1-CG2 3.43Å; D524-T526 PolarHBondContact OD1-N 3.27Å; D524-T526 PolarHBondContact OD1-OG1 3.32Å; T526-D528 VanDerWaalsContact C-N 3.29Å; T526-D528 PolarHBondContact O-N 3.16Å; T526-I529 HydrophobicContact CG2-CD1 4.04Å; T526-I529 PolarHBondContact O-N 3.08Å; T526-P588 WeakPolarHBondContact OG1-CB 3.35Å; T526-R591 PolarHBondContact O-NH1 2.89Å
527	V	96.1	Very high	92.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-38.3	173.7	-61	0	0	0	0	111.7	I448 A514 E516 M517 Y523 D524 E525 I529 F530 S531	I448-V527 HydrophobicContact CG2-CG2 3.69Å; A514-V527 HydrophobicContact CB-CB 3.84Å; A514-V527 HydrophobicContact CB-CG1 4Å; E516-V527 HydrophobicContact CG-CG1 4.42Å; E516-V527 WeakPolarHBondContact OE1-CG1 3.45Å; M517-V527 HydrophobicContact CB-CG1 4.26Å; Y523-V527 HydrophobicContact CD2-CG1 3.6Å; Y523-V527 HydrophobicContact CD2-CG2 4.15Å; Y523-V527 HydrophobicContact CE2-CG1 4.43Å; Y523-V527 HydrophobicContact CE2-CG2 4.38Å; Y523-V527 HydrophobicContact CG-CG1 3.8Å; D524-V527 PolarHBondContact O-N 2.95Å; E525-V527 PolarHBondContact O-N 3.45Å; E525-V527 VanDerWaalsContact O-N 3.16Å; V527-I529 PolarHBondContact O-N 3.13Å; V527-F530 PolarHBondContact O-N 3.18Å; V527-S531 PolarHBondContact O-N 2.82Å; V527-S531 PolarHBondContact O-OG 3.35Å
528	D	97.6	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-29.5	-178.3	-63.7	-28.8	0	0	0	111.6	M439 H443 I448 H449 R450 E525 T526 S531 F532 F594	M439-D528 HydrophobicContact CE-CB 3.62Å; M439-D528 WeakPolarHBondContact CE-OD2 3.42Å; H443-D528 IonicContact CD2-OD2 3.44Å; H443-D528 IonicContact CE1-OD2 2.69Å; H443-D528 IonicContact NE2-OD2 3.75Å; H443-D528 PolarHBondContact NE2-OD2 2.82Å; I448-D528 WeakPolarHBondContact CG2-OD2 3.49Å; H449-D528 PolarHBondContact N-OD1 2.84Å; H449-D528 PolarHBondContact N-OD2 2.84Å; R450-D528 WeakPolarHBondContact CA-OD1 3.36Å; R450-D528 PolarHBondContact N-OD1 3Å; E525-D528 PolarHBondContact O-N 3.14Å; T526-D528 VanDerWaalsContact C-N 3.29Å; T526-D528 PolarHBondContact O-N 3.16Å; D528-S531 PolarHBondContact O-N 3.1Å; D528-F532 WeakPolarHBondContact O-CB 3.39Å; D528-F532 PolarHBondContact O-N 3.1Å; D528-F594 HydrophobicContact CB-CE2 3.83Å; D528-F594 HydrophobicContact CB-CZ 4.24Å
529	I	98.6	Very high	93.8	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-67.3	-39.6	177.9	-53.4	166	0	0	0	110	T526 V527 F532 G533 C583 R591 P592 F594 L597	T526-I529 HydrophobicContact CG2-CD1 4.04Å; T526-I529 PolarHBondContact O-N 3.08Å; V527-I529 PolarHBondContact O-N 3.13Å; I529-F532 PolarHBondContact O-N 3.29Å; I529-G533 PolarHBondContact O-N 3.17Å; I529-C583 HydrophobicContact CG2-CB 4.11Å; I529-C583 WeakPolarHBondContact O-CB 3.45Å; I529-R591 HydrophobicContact CB-CB 4.31Å; I529-R591 HydrophobicContact CD1-CB 4.26Å; I529-R591 HydrophobicContact CG2-CB 3.86Å; I529-P592 WeakPolarHBondContact CD1-O 3.49Å; I529-P592 WeakPolarHBondContact CG2-O 3.42Å; I529-F594 HydrophobicContact CB-CE2 4.33Å; I529-F594 HydrophobicContact CG1-CD2 3.85Å; I529-F594 HydrophobicContact CG1-CE2 3.57Å; I529-F594 HydrophobicContact CG1-CZ 4.19Å; I529-L597 HydrophobicContact CG2-CD1 4.11Å
530	F	98.6	Very high	94.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.1	-47	173.9	-175.2	-81.3	0	0	0	110.9	A514 P515 V527 F532 G533 I534 C584	A514-F530 HydrophobicContact CB-CB 3.84Å; A514-F530 HydrophobicContact CB-CD1 4.17Å; A514-F530 HydrophobicContact CB-CG 4.06Å; P515-F530 HydrophobicContact CG-CE2 3.91Å; P515-F530 HydrophobicContact CG-CZ 3.93Å; V527-F530 PolarHBondContact O-N 3.18Å; F530-F532 VanDerWaalsContact C-N 3.27Å; F530-F532 PolarHBondContact O-N 3.4Å; F530-G533 WeakPolarHBondContact O-CA 3.45Å; F530-G533 PolarHBondContact O-N 3.44Å; F530-I534 HydrophobicContact CD1-CG1 4.19Å; F530-I534 HydrophobicContact CE1-CD1 4.08Å; F530-I534 HydrophobicContact CE1-CG1 3.82Å; F530-I534 HydrophobicContact CZ-CD1 4.33Å; F530-I534 PolarHBondContact O-N 3.16Å; F530-I534 VanDerWaalsContact O-N 3.1Å; F530-C584 HydrophobicContact CE2-CB 4.33Å; F530-C584 WeakPolarHBondContact CE2-O 3.38Å
531	S	98.3	Very high	95	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-57	-41.5	176.5	-50.3	0	0	0	0	112.1	L452 W512 V527 D528 I534 V535	L452-S531 WeakPolarHBondContact O-CB 3.49Å; W512-S531 WeakPolarHBondContact O-CA 3.45Å; W512-S531 PolarHBondContact O-OG 3.09Å; V527-S531 PolarHBondContact O-N 2.82Å; V527-S531 PolarHBondContact O-OG 3.35Å; D528-S531 PolarHBondContact O-N 3.1Å; S531-I534 PolarHBondContact O-N 3.42Å; S531-V535 PolarHBondContact O-N 2.9Å; S531-V535 VanDerWaalsContact O-N 3.09Å
532	F	98.8	Very high	95.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.2	-39.3	173	176.1	-116.8	0	0	0	113	A432 I435 A436 L452 D528 I529 F530 I534 V535 L536 F594 L597 F601	A432-F532 HydrophobicContact CB-CZ 4.44Å; I435-F532 HydrophobicContact CB-CD2 4.3Å; I435-F532 HydrophobicContact CB-CE2 3.84Å; I435-F532 HydrophobicContact CG2-CD2 3.58Å; I435-F532 HydrophobicContact CG2-CE2 3.65Å; A436-F532 HydrophobicContact CB-CE1 4.4Å; A436-F532 HydrophobicContact CB-CZ 4.07Å; L452-F532 HydrophobicContact CD2-CB 3.78Å; D528-F532 WeakPolarHBondContact O-CB 3.39Å; D528-F532 PolarHBondContact O-N 3.1Å; I529-F532 PolarHBondContact O-N 3.29Å; F530-F532 VanDerWaalsContact C-N 3.27Å; F530-F532 PolarHBondContact O-N 3.4Å; F532-I534 VanDerWaalsContact C-N 3.26Å; F532-I534 PolarHBondContact O-N 2.82Å; F532-V535 CarbonylContact O-C 3.57Å; F532-V535 PolarHBondContact O-N 3.39Å; F532-V535 VanDerWaalsContact O-N 3.1Å; F532-L536 HydrophobicContact CD1-CD1 3.97Å; F532-L536 HydrophobicContact CD1-CG 4.32Å; F532-L536 HydrophobicContact CD2-CG 4.42Å; F532-L536 HydrophobicContact CE1-CD1 3.54Å; F532-L536 HydrophobicContact CE1-CD2 4.25Å; F532-L536 HydrophobicContact CE1-CG 3.94Å; F532-L536 HydrophobicContact CE2-CD2 4.01Å; F532-L536 HydrophobicContact CE2-CG 4.04Å; F532-L536 HydrophobicContact CZ-CD1 3.87Å; F532-L536 HydrophobicContact CZ-CD2 3.69Å; F532-L536 HydrophobicContact CZ-CG 3.8Å; F532-L536 WeakPolarHBondContact O-CG 3.38Å; F532-L536 PolarHBondContact O-N 2.93Å; F532-F594 HydrophobicContact CB-CE1 3.7Å; F532-F594 HydrophobicContact CB-CZ 3.72Å; F532-F594 HydrophobicContact CD1-CD1 4.37Å; F532-F594 AromaticContact CD1-CE1 3.61Å; F532-F594 HydrophobicContact CD1-CE1 3.61Å; F532-F594 HydrophobicContact CD1-CZ 4.39Å; F532-F594 HydrophobicContact CD2-CE1 4.25Å; F532-F594 HydrophobicContact CE1-CE1 4.25Å; F532-F594 AromaticContact CG-CE1 3.59Å; F532-F594 HydrophobicContact CG-CE1 3.59Å; F532-F594 HydrophobicContact CG-CZ 4.15Å; F532-L597 HydrophobicContact CD1-CD1 3.97Å; F532-L597 HydrophobicContact CE1-CD1 3.93Å; F532-F601 AromaticContact CE1-CE2 3.65Å; F532-F601 HydrophobicContact CE1-CE2 3.65Å; F532-F601 HydrophobicContact CE1-CZ 4.06Å; F532-F601 HydrophobicContact CZ-CD2 4.44Å; F532-F601 AromaticContact CZ-CE2 3.56Å; F532-F601 HydrophobicContact CZ-CE2 3.56Å; F532-F601 HydrophobicContact CZ-CZ 4.08Å
533	G	98.6	Very high	95.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57	-38.7	172.7	0	0	0	0	0	113.1	I529 F530 L536 C537 C583	I529-G533 PolarHBondContact O-N 3.17Å; F530-G533 WeakPolarHBondContact O-CA 3.45Å; F530-G533 PolarHBondContact O-N 3.44Å; G533-L536 PolarHBondContact O-N 3.4Å; G533-C537 PolarHBondContact O-N 3.37Å; G533-C537 VanDerWaalsContact O-N 3.13Å; G533-C537 PolarHBondContact O-SG 3.18Å; G533-C583 VanDerWaalsContact CA-CB 3.5Å
534	I	98.4	Very high	96	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.2	-42.7	173.1	-58.1	-61.8	0	0	0	111.2	W512 F530 S531 F532 L536 C537 E538 A545 L550	W512-I534 VanDerWaalsContact CD1-CG2 3.49Å; W512-I534 HydrophobicContact CG-CB 4.41Å; W512-I534 HydrophobicContact CG-CG2 4.07Å; F530-I534 HydrophobicContact CD1-CG1 4.19Å; F530-I534 HydrophobicContact CE1-CD1 4.08Å; F530-I534 HydrophobicContact CE1-CG1 3.82Å; F530-I534 HydrophobicContact CZ-CD1 4.33Å; F530-I534 PolarHBondContact O-N 3.16Å; F530-I534 VanDerWaalsContact O-N 3.1Å; S531-I534 PolarHBondContact O-N 3.42Å; F532-I534 VanDerWaalsContact C-N 3.26Å; F532-I534 PolarHBondContact O-N 2.82Å; I534-L536 VanDerWaalsContact C-N 3.31Å; I534-L536 PolarHBondContact O-N 2.87Å; I534-C537 WeakPolarHBondContact O-CB 3.44Å; I534-C537 PolarHBondContact O-N 3.2Å; I534-C537 VanDerWaalsContact O-N 3.08Å; I534-E538 PolarHBondContact O-N 3.34Å; I534-A545 HydrophobicContact CG2-CB 3.6Å; I534-L550 HydrophobicContact CG2-CD1 4.27Å
535	V	98.3	Very high	96.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.3	-37.1	174	176.2	0	0	0	0	112.1	L413 I435 S531 F532 C537 E538 I539	L413-V535 HydrophobicContact CD2-CG1 3.68Å; I435-V535 HydrophobicContact CD1-CG1 4.13Å; S531-V535 PolarHBondContact O-N 2.9Å; S531-V535 VanDerWaalsContact O-N 3.09Å; F532-V535 CarbonylContact O-C 3.57Å; F532-V535 PolarHBondContact O-N 3.39Å; F532-V535 VanDerWaalsContact O-N 3.1Å; V535-C537 VanDerWaalsContact C-N 3.32Å; V535-C537 PolarHBondContact O-N 3.46Å; V535-E538 WeakPolarHBondContact O-CB 3.05Å; V535-E538 PolarHBondContact O-N 3.35Å; V535-I539 HydrophobicContact CG1-CD1 4.05Å; V535-I539 WeakPolarHBondContact O-CG1 3.38Å; V535-I539 PolarHBondContact O-N 3.07Å
536	L	98.4	Very high	95.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-38.7	172.9	-72	174.4	0	0	0	111.8	A432 F532 G533 I534 I539 I540 F576 A580 F601	A432-L536 HydrophobicContact CB-CD2 3.48Å; A432-L536 VanDerWaalsContact CB-CD2 3.48Å; F532-L536 HydrophobicContact CD1-CD1 3.97Å; F532-L536 HydrophobicContact CD1-CG 4.32Å; F532-L536 HydrophobicContact CD2-CG 4.42Å; F532-L536 HydrophobicContact CE1-CD1 3.54Å; F532-L536 HydrophobicContact CE1-CD2 4.25Å; F532-L536 HydrophobicContact CE1-CG 3.94Å; F532-L536 HydrophobicContact CE2-CD2 4.01Å; F532-L536 HydrophobicContact CE2-CG 4.04Å; F532-L536 HydrophobicContact CZ-CD1 3.87Å; F532-L536 HydrophobicContact CZ-CD2 3.69Å; F532-L536 HydrophobicContact CZ-CG 3.8Å; F532-L536 WeakPolarHBondContact O-CG 3.38Å; F532-L536 PolarHBondContact O-N 2.93Å; G533-L536 PolarHBondContact O-N 3.4Å; I534-L536 VanDerWaalsContact C-N 3.31Å; I534-L536 PolarHBondContact O-N 2.87Å; L536-I539 PolarHBondContact O-N 3.17Å; L536-I540 WeakPolarHBondContact O-CB 3.45Å; L536-I540 WeakPolarHBondContact O-CD1 3.33Å; L536-I540 WeakPolarHBondContact O-CG1 3.37Å; L536-I540 PolarHBondContact O-N 3.12Å; L536-F576 HydrophobicContact CD2-CE2 4.31Å; L536-F576 HydrophobicContact CD2-CZ 4.47Å; L536-A580 HydrophobicContact CB-CB 3.6Å; L536-A580 HydrophobicContact CD1-CB 3.88Å; L536-A580 HydrophobicContact CG-CB 4.42Å; L536-F601 HydrophobicContact CD1-CZ 3.85Å; L536-F601 HydrophobicContact CD2-CE1 4.45Å; L536-F601 HydrophobicContact CD2-CZ 4.02Å
537	C	98.1	Very high	94.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.6	-41	174.7	-64.1	0	0	0	0	111.5	G533 I534 V535 I539 I540 G541 L550 F563	G533-C537 PolarHBondContact O-N 3.37Å; G533-C537 VanDerWaalsContact O-N 3.13Å; G533-C537 PolarHBondContact O-SG 3.18Å; I534-C537 WeakPolarHBondContact O-CB 3.44Å; I534-C537 PolarHBondContact O-N 3.2Å; I534-C537 VanDerWaalsContact O-N 3.08Å; V535-C537 VanDerWaalsContact C-N 3.32Å; V535-C537 PolarHBondContact O-N 3.46Å; C537-I539 PolarHBondContact O-N 3.36Å; C537-I540 PolarHBondContact O-N 3.32Å; C537-G541 PolarHBondContact O-N 3.16Å; C537-L550 HydrophobicContact CB-CD1 3.76Å; C537-F563 HydrophobicContact CB-CD2 4.47Å; C537-F563 HydrophobicContact CB-CE2 3.7Å; C537-F563 HydrophobicContact CB-CZ 3.74Å; C537-F563 WeakPolarHBondContact O-CZ 3.36Å
538	E	96.8	Very high	94.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-41.8	171.9	-59.6	-179.2	94.5	0	0	111.9	L417 S454 W512 I534 V535 Q542 V543 A545	L417-E538 HydrophobicContact CD1-CB 3.86Å; S454-E538 WeakPolarHBondContact CB-OE1 3.4Å; S454-E538 WeakPolarHBondContact CB-OE2 3.18Å; S454-E538 VanDerWaalsContact OG-CD 3.26Å; S454-E538 PolarHBondContact OG-OE1 3.33Å; S454-E538 PolarHBondContact OG-OE2 3.23Å; S454-E538 VanDerWaalsContact OG-OE2 3.11Å; W512-E538 WeakPolarHBondContact CZ2-OE1 3.35Å; W512-E538 WeakPolarHBondContact CZ2-OE2 3.4Å; W512-E538 PolarHBondContact NE1-OE2 2.66Å; I534-E538 PolarHBondContact O-N 3.34Å; V535-E538 WeakPolarHBondContact O-CB 3.05Å; V535-E538 PolarHBondContact O-N 3.35Å; E538-Q542 WeakPolarHBondContact O-CA 3.25Å; E538-Q542 PolarHBondContact O-N 3.46Å; E538-V543 WeakPolarHBondContact CA-O 3.05Å; E538-V543 WeakPolarHBondContact CB-O 3.44Å; E538-V543 WeakPolarHBondContact CG-O 3.39Å; E538-A545 HydrophobicContact CG-CB 4.01Å
539	I	96.6	Very high	93.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.1	-43.5	178	-70.8	168	0	0	0	112.2	L413 F423 K428 F431 I435 V535 L536 C537 F576	L413-I539 HydrophobicContact CD1-CG1 4.42Å; L413-I539 HydrophobicContact CD2-CD1 4.06Å; L413-I539 HydrophobicContact CD2-CG1 4.2Å; F423-I539 HydrophobicContact CE1-CG2 4.1Å; F423-I539 HydrophobicContact CZ-CG2 4.15Å; K428-I539 HydrophobicContact CB-CG2 3.66Å; K428-I539 HydrophobicContact CD-CG2 4.35Å; K428-I539 WeakPolarHBondContact CD-O 3.2Å; K428-I539 WeakPolarHBondContact CE-O 3.14Å; K428-I539 HydrophobicContact CG-CG2 3.84Å; K428-I539 PolarHBondContact NZ-O 3.25Å; F431-I539 HydrophobicContact CB-CD1 4.39Å; I435-I539 HydrophobicContact CD1-CD1 4.23Å; V535-I539 HydrophobicContact CG1-CD1 4.05Å; V535-I539 WeakPolarHBondContact O-CG1 3.38Å; V535-I539 PolarHBondContact O-N 3.07Å; L536-I539 PolarHBondContact O-N 3.17Å; C537-I539 PolarHBondContact O-N 3.36Å; I539-F576 HydrophobicContact CG2-CZ 4.3Å
540	I	96.2	Very high	93.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-59.2	-177.5	-72.2	164.1	0	0	0	109.7	W425 K428 L536 C537 F563 V568 F576 F577 A580	W425-I540 HydrophobicContact CH2-CG2 4.06Å; W425-I540 HydrophobicContact CZ3-CB 4.44Å; W425-I540 HydrophobicContact CZ3-CG1 4.28Å; W425-I540 HydrophobicContact CZ3-CG2 4.31Å; K428-I540 PolarHBondContact NZ-O 3.2Å; L536-I540 WeakPolarHBondContact O-CB 3.45Å; L536-I540 WeakPolarHBondContact O-CD1 3.33Å; L536-I540 WeakPolarHBondContact O-CG1 3.37Å; L536-I540 PolarHBondContact O-N 3.12Å; C537-I540 PolarHBondContact O-N 3.32Å; I540-F563 HydrophobicContact CG2-CE1 4.25Å; I540-V568 HydrophobicContact CG2-CG1 4.44Å; I540-V568 HydrophobicContact CG2-CG2 4.06Å; I540-F576 HydrophobicContact CD1-CD1 4.14Å; I540-F576 HydrophobicContact CD1-CE1 4.2Å; I540-F576 HydrophobicContact CG1-CD1 3.74Å; I540-F576 HydrophobicContact CG1-CE1 3.5Å; I540-F576 VanDerWaalsContact CG1-CE1 3.5Å; I540-F576 HydrophobicContact CG1-CZ 4.27Å; I540-F577 HydrophobicContact CD1-CB 4.19Å; I540-F577 HydrophobicContact CD1-CD2 4.16Å; I540-A580 HydrophobicContact CD1-CB 3.93Å
541	G	93.7	Very high	93.3	Very high	18 Å²	18	26.9 Å²	26.9	19%	0.186	15%	0.147	C	C	.	.	H	α-helix	trans	-95.9	0.6	-171	0	0	0	0	0	116	C537 V543 F567	C537-G541 PolarHBondContact O-N 3.16Å; G541-V543 PolarHBondContact O-N 3.45Å; G541-V543 VanDerWaalsContact O-N 3.14Å; G541-F567 WeakPolarHBondContact CA-O 3.44Å
542	Q	91.9	Very high	93.1	Very high	87 Å²	87	28.9 Å²	28.9	41%	0.407	15%	0.154	S	C	.	.			trans	51.9	37.2	-179.4	-67.8	171	-109.3	0	0	112.7	L417 F423 E538	L417-Q542 HydrophobicContact CD2-CG 4.18Å; F423-Q542 HydrophobicContact CD1-CG 4.5Å; E538-Q542 WeakPolarHBondContact O-CA 3.25Å; E538-Q542 PolarHBondContact O-N 3.46Å
543	V	91.7	Very high	92.8	Very high	17 Å²	17	31.2 Å²	31.2	10%	0.103	17%	0.168	C	C	.	.			trans	-111	148	-177.3	63	0	0	0	0	109.8	E538 G541 C549 L550 F563 F567	E538-V543 WeakPolarHBondContact CA-O 3.05Å; E538-V543 WeakPolarHBondContact CB-O 3.44Å; E538-V543 WeakPolarHBondContact CG-O 3.39Å; G541-V543 PolarHBondContact O-N 3.45Å; G541-V543 VanDerWaalsContact O-N 3.14Å; V543-C549 HydrophobicContact CG2-CB 3.85Å; V543-L550 HydrophobicContact CG1-CD1 4.4Å; V543-F563 HydrophobicContact CG1-CE2 3.92Å; V543-F563 HydrophobicContact CG1-CZ 4.33Å; V543-F567 HydrophobicContact CB-CD1 3.84Å; V543-F567 HydrophobicContact CB-CE1 3.98Å; V543-F567 HydrophobicContact CG1-CD1 4.16Å; V543-F567 HydrophobicContact CG2-CD1 3.95Å; V543-F567 HydrophobicContact CG2-CE1 3.57Å; V543-F567 HydrophobicContact CG2-CZ 4.14Å
544	Y	89.4	Confident	92.5	Very high	99 Å²	99	39.7 Å²	39.7	39%	0.388	21%	0.213	S	C	.	.			trans	-71.4	142.8	173.1	-63.2	-63.2	0	0	0	111.6	K414 R418 D546 L550	K414-Y544 HydrophobicContact CG-CE1 4.39Å; R418-Y544 HydrophobicContact CG-CE1 4.04Å; R418-Y544 WeakPolarHBondContact CG-OH 3.19Å; R418-Y544 PolarHBondContact NE-OH 2.99Å; Y544-D546 PolarHBondContact O-N 3.08Å; Y544-L550 WeakPolarHBondContact O-CB 3.45Å
545	A	90.8	Very high	92.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	23%	0.233	C	C	.	.	S	Bend	trans	-63.4	-4.8	175.8	0	0	0	0	0	116.3	W512 I534 E538	W512-A545 HydrophobicContact CD2-CB 4.02Å; W512-A545 VanDerWaalsContact CE2-CB 3.41Å; W512-A545 HydrophobicContact CH2-CB 4Å; W512-A545 HydrophobicContact CZ2-CB 3.41Å; W512-A545 VanDerWaalsContact CZ2-CB 3.41Å; I534-A545 HydrophobicContact CG2-CB 3.6Å; E538-A545 HydrophobicContact CG-CB 4.01Å
546	D	86.7	Confident	91.9	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.273	25%	0.252	S	S	.	.			trans	-56.6	128.9	177	-165.1	-53	0	0	0	110.4	Y511 Y544 D548 C549 L550	Y511-D546 PolarHBondContact OH-OD2 2.64Å; Y544-D546 PolarHBondContact O-N 3.08Å; D546-D548 PolarHBondContact O-N 3.11Å; D546-D548 VanDerWaalsContact O-N 3.13Å; D546-D548 PolarHBondContact OD1-N 3.09Å; D546-D548 VanDerWaalsContact OD1-N 3.11Å; D546-C549 HydrophobicContact CB-CB 4.43Å; D546-C549 CarbonylContact O-C 3.57Å; D546-C549 WeakPolarHBondContact O-CA 3.34Å; D546-C549 WeakPolarHBondContact O-CB 3.45Å; D546-C549 PolarHBondContact O-N 3Å; D546-L550 PolarHBondContact O-N 2.66Å
547	P	80.1	Confident	91.6	Very high	59 Å²	59	48 Å²	48	38%	0.383	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.7	-179	-28.3	36	0	0	0	115.8	Y511 C549 R552	Y511-P547 HydrophobicContact CD1-CG 4.01Å; Y511-P547 HydrophobicContact CE1-CG 4.44Å; P547-C549 PolarHBondContact O-N 2.75Å; P547-R552 HydrophobicContact CB-CG 4Å; P547-R552 HydrophobicContact CG-CG 4.38Å
548	D	81.9	Confident	91.6	Very high	159 Å²	159	48.6 Å²	48.6	85%	0.85	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-19.8	174.3	-73.1	-11.1	0	0	0	112.1	D546	D546-D548 PolarHBondContact O-N 3.11Å; D546-D548 VanDerWaalsContact O-N 3.13Å; D546-D548 PolarHBondContact OD1-N 3.09Å; D546-D548 VanDerWaalsContact OD1-N 3.11Å
549	C	87.9	Confident	91.6	Very high	53 Å²	53	50.9 Å²	50.9	36%	0.358	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-48.9	177.9	-63.1	0	0	0	0	112.7	V543 D546 P547 P551 F567	V543-C549 HydrophobicContact CG2-CB 3.85Å; D546-C549 HydrophobicContact CB-CB 4.43Å; D546-C549 CarbonylContact O-C 3.57Å; D546-C549 WeakPolarHBondContact O-CA 3.34Å; D546-C549 WeakPolarHBondContact O-CB 3.45Å; D546-C549 PolarHBondContact O-N 3Å; P547-C549 PolarHBondContact O-N 2.75Å; C549-P551 WeakPolarHBondContact O-CD 3.47Å; C549-F567 WeakPolarHBondContact O-CZ 3.42Å
550	L	92.6	Very high	91.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-97.9	114.3	-174.1	-171	159	0	0	0	110.6	I534 C537 V543 Y544 D546 R552 L558 F563	I534-L550 HydrophobicContact CG2-CD1 4.27Å; C537-L550 HydrophobicContact CB-CD1 3.76Å; V543-L550 HydrophobicContact CG1-CD1 4.4Å; Y544-L550 WeakPolarHBondContact O-CB 3.45Å; D546-L550 PolarHBondContact O-N 2.66Å; L550-R552 WeakPolarHBondContact O-CG 3.45Å; L550-R552 PolarHBondContact O-N 2.93Å; L550-R552 VanDerWaalsContact O-N 3.08Å; L550-L558 HydrophobicContact CD2-CD1 3.73Å; L550-F563 HydrophobicContact CD1-CE2 4.37Å; L550-F563 HydrophobicContact CG-CD2 4.21Å; L550-F563 HydrophobicContact CG-CE2 4.08Å
551	P	93.5	Very high	91.5	Very high	16 Å²	16	55.7 Å²	55.7	10%	0.104	29%	0.29	C	S	.	.			trans	-52.6	111.3	-176.1	-32.2	37.2	0	0	0	115.5	C549 N559 L562 F567	C549-P551 WeakPolarHBondContact O-CD 3.47Å; P551-N559 HydrophobicContact CB-CB 3.85Å; P551-N559 WeakPolarHBondContact O-CB 3.16Å; P551-N559 PolarHBondContact O-N 3.08Å; P551-L562 HydrophobicContact CB-CB 4.08Å; P551-L562 HydrophobicContact CB-CD2 4.11Å; P551-L562 HydrophobicContact CB-CG 4.05Å; P551-L562 HydrophobicContact CG-CB 4.41Å; P551-L562 HydrophobicContact CG-CD2 4.33Å; P551-L562 HydrophobicContact CG-CG 4Å; P551-F567 VanDerWaalsContact CD-CE2 3.48Å; P551-F567 HydrophobicContact CG-CD2 4.06Å; P551-F567 HydrophobicContact CG-CE2 3.69Å
552	R	94.2	Very high	91.6	Very high	45 Å²	45	57.5 Å²	57.5	17%	0.17	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-103.1	161.6	173.2	-52	-54.8	-78.3	-98	-3.2	112.6	Y511 P547 L550 F556 G557	Y511-R552 PolarHBondContact O-NH1 3.41Å; P547-R552 HydrophobicContact CB-CG 4Å; P547-R552 HydrophobicContact CG-CG 4.38Å; L550-R552 WeakPolarHBondContact O-CG 3.45Å; L550-R552 PolarHBondContact O-N 2.93Å; L550-R552 VanDerWaalsContact O-N 3.08Å; R552-F556 PolarHBondContact NE-O 2.65Å; R552-F556 PolarHBondContact NH2-O 2.92Å; R552-G557 VanDerWaalsContact CA-O 3.32Å; R552-G557 WeakPolarHBondContact CA-O 3.43Å; R552-G557 PolarHBondContact NE-O 2.76Å; R552-G557 VanDerWaalsContact NE-O 3.1Å
553	T	93.8	Very high	91.8	Very high	48 Å²	48	53.4 Å²	53.4	29%	0.294	28%	0.276	S	S	.	.			trans	-97.9	163.1	166.1	47.1	0	0	0	0	110.9	D555 F556 G557 N559	T553-D555 VanDerWaalsContact CB-OD1 3.22Å; T553-D555 WeakPolarHBondContact CB-OD1 3.44Å; T553-D555 PolarHBondContact O-N 2.88Å; T553-D555 VanDerWaalsContact O-N 3.16Å; T553-D555 PolarHBondContact OG1-OD1 2.83Å; T553-F556 WeakPolarHBondContact O-CA 3.42Å; T553-F556 PolarHBondContact O-N 3.48Å; T553-G557 PolarHBondContact N-O 3.13Å; T553-G557 VanDerWaalsContact N-O 3.1Å; T553-G557 VanDerWaalsContact OG1-C 3.28Å; T553-G557 WeakPolarHBondContact OG1-CA 3.36Å; T553-G557 PolarHBondContact OG1-N 2.71Å; T553-G557 VanDerWaalsContact OG1-N 3.12Å; T553-G557 PolarHBondContact OG1-O 2.86Å; T553-N559 HydrophobicContact CG2-CB 4Å
554	L	90.8	Very high	92	Very high	179 Å²	179	54.2 Å²	54.2	94%	0.937	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.1	-176.5	-65	174.9	0	0	0	114.1	F556	L554-F556 VanDerWaalsContact C-N 3.32Å
555	D	91.9	Very high	92.2	Very high	79 Å²	79	55.2 Å²	55.2	42%	0.422	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	16.2	173.5	51.6	24.1	0	0	0	113	T553 G557 L586	T553-D555 VanDerWaalsContact CB-OD1 3.22Å; T553-D555 WeakPolarHBondContact CB-OD1 3.44Å; T553-D555 PolarHBondContact O-N 2.88Å; T553-D555 VanDerWaalsContact O-N 3.16Å; T553-D555 PolarHBondContact OG1-OD1 2.83Å; D555-G557 PolarHBondContact O-N 2.85Å; D555-G557 PolarHBondContact OD1-N 3.11Å; D555-L586 HydrophobicContact CB-CD1 4.32Å; D555-L586 VanDerWaalsContact OD2-CD1 3.29Å; D555-L586 WeakPolarHBondContact OD2-CD1 3.07Å
556	F	92.1	Very high	92.4	Very high	93 Å²	93	62.1 Å²	62.1	41%	0.408	32%	0.316	S	S	.	.	S	Bend	trans	68	8.8	-179.6	-44.1	-78.5	0	0	0	115.7	P515 L518 R552 T553 L554	P515-F556 HydrophobicContact CB-CB 4.33Å; P515-F556 HydrophobicContact CG-CB 4.15Å; L518-F556 HydrophobicContact CD2-CB 4.43Å; L518-F556 HydrophobicContact CD2-CD1 3.72Å; L518-F556 HydrophobicContact CD2-CD2 3.57Å; L518-F556 HydrophobicContact CD2-CE1 3.75Å; L518-F556 HydrophobicContact CD2-CE2 3.61Å; L518-F556 HydrophobicContact CD2-CG 3.63Å; L518-F556 HydrophobicContact CD2-CZ 3.7Å; R552-F556 PolarHBondContact NE-O 2.65Å; R552-F556 PolarHBondContact NH2-O 2.92Å; T553-F556 WeakPolarHBondContact O-CA 3.42Å; T553-F556 PolarHBondContact O-N 3.48Å; L554-F556 VanDerWaalsContact C-N 3.32Å
557	G	93.5	Very high	92.7	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.021	31%	0.314	C	S	.	.			trans	-68.2	-176.3	170.4	0	0	0	0	0	114.3	R552 T553 D555	R552-G557 VanDerWaalsContact CA-O 3.32Å; R552-G557 WeakPolarHBondContact CA-O 3.43Å; R552-G557 PolarHBondContact NE-O 2.76Å; R552-G557 VanDerWaalsContact NE-O 3.1Å; T553-G557 PolarHBondContact N-O 3.13Å; T553-G557 VanDerWaalsContact N-O 3.1Å; T553-G557 VanDerWaalsContact OG1-C 3.28Å; T553-G557 WeakPolarHBondContact OG1-CA 3.36Å; T553-G557 PolarHBondContact OG1-N 2.71Å; T553-G557 VanDerWaalsContact OG1-N 3.12Å; T553-G557 PolarHBondContact OG1-O 2.86Å; D555-G557 PolarHBondContact O-N 2.85Å; D555-G557 PolarHBondContact OD1-N 3.11Å
558	L	97.1	Very high	93.4	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.063	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-89.1	129.8	170.9	175.4	68.5	0	0	0	109.8	L550 V560 F563 F577 C584	L550-L558 HydrophobicContact CD2-CD1 3.73Å; L558-V560 VanDerWaalsContact C-N 3.28Å; L558-V560 HydrophobicContact CD2-CG2 4.18Å; L558-V560 HydrophobicContact CG-CG2 4.25Å; L558-V560 PolarHBondContact O-N 2.82Å; L558-F563 HydrophobicContact CD1-CB 4.21Å; L558-F563 HydrophobicContact CD1-CD2 4.06Å; L558-F563 HydrophobicContact CD1-CG 4.25Å; L558-F577 HydrophobicContact CD2-CE2 4.47Å; L558-C584 HydrophobicContact CB-CB 3.62Å; L558-C584 HydrophobicContact CD2-CB 3.99Å; L558-C584 HydrophobicContact CG-CB 4.46Å
559	N	96.5	Very high	93.9	Very high	51 Å²	51	55.4 Å²	55.4	27%	0.273	28%	0.277	S	S	.	.			trans	-81	79.5	169.8	-173	-17.9	0	0	0	109.6	P551 T553 K561 L562 F563	P551-N559 HydrophobicContact CB-CB 3.85Å; P551-N559 WeakPolarHBondContact O-CB 3.16Å; P551-N559 PolarHBondContact O-N 3.08Å; T553-N559 HydrophobicContact CG2-CB 4Å; N559-K561 VanDerWaalsContact C-N 3.3Å; N559-K561 PolarHBondContact O-N 3.05Å; N559-L562 HydrophobicContact CB-CB 4.29Å; N559-L562 VanDerWaalsContact CG-CB 3.49Å; N559-L562 PolarHBondContact O-N 2.79Å; N559-L562 WeakPolarHBondContact OD1-CB 3.47Å; N559-L562 PolarHBondContact OD1-N 2.74Å; N559-F563 WeakPolarHBondContact O-CB 3.39Å; N559-F563 PolarHBondContact O-N 3.1Å
560	V	96.7	Very high	93.9	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.03	30%	0.301	C	S	.	.	H	α-helix	trans	-49.8	-46.4	-171	-177.7	0	0	0	0	112.6	L558 F563 W564 F577 A581 Y630	L558-V560 VanDerWaalsContact C-N 3.28Å; L558-V560 HydrophobicContact CD2-CG2 4.18Å; L558-V560 HydrophobicContact CG-CG2 4.25Å; L558-V560 PolarHBondContact O-N 2.82Å; V560-F563 PolarHBondContact O-N 3.35Å; V560-W564 PolarHBondContact O-N 3.49Å; V560-F577 HydrophobicContact CG1-CE1 3.68Å; V560-F577 HydrophobicContact CG1-CZ 3.7Å; V560-A581 HydrophobicContact CG1-CB 4.1Å; V560-A581 HydrophobicContact CG2-CB 4.25Å; V560-Y630 HydrophobicContact CB-CD1 3.71Å; V560-Y630 HydrophobicContact CB-CD2 4.33Å; V560-Y630 HydrophobicContact CB-CE1 3.86Å; V560-Y630 HydrophobicContact CB-CE2 4.47Å; V560-Y630 HydrophobicContact CB-CG 3.96Å; V560-Y630 HydrophobicContact CG1-CD1 4.04Å; V560-Y630 HydrophobicContact CG1-CD2 3.83Å; V560-Y630 HydrophobicContact CG1-CE1 4.41Å; V560-Y630 HydrophobicContact CG1-CE2 4.22Å; V560-Y630 HydrophobicContact CG1-CG 3.73Å; V560-Y630 HydrophobicContact CG2-CD1 4.16Å; V560-Y630 HydrophobicContact CG2-CE1 3.76Å; V560-Y630 HydrophobicContact CG2-CE2 4.23Å
561	K	94.9	Very high	93.9	Very high	96 Å²	96	64.2 Å²	64.2	42%	0.417	33%	0.326	S	S	.	.	H	α-helix	trans	-67.8	-49.1	-178.5	179	165.5	179.4	160.8	0	112.2	N559 F563 W564 E565	N559-K561 VanDerWaalsContact C-N 3.3Å; N559-K561 PolarHBondContact O-N 3.05Å; K561-F563 PolarHBondContact O-N 3.49Å; K561-W564 WeakPolarHBondContact O-CB 3.16Å; K561-W564 PolarHBondContact O-N 3.46Å; K561-E565 WeakPolarHBondContact CE-OE1 3.39Å; K561-E565 HydrophobicContact CG-CG 4.39Å; K561-E565 IonicContact NZ-OE1 3.69Å; K561-E565 WeakPolarHBondContact O-CG 3.47Å; K561-E565 PolarHBondContact O-N 3.01Å
562	L	94.9	Very high	93.9	Very high	56 Å²	56	63.7 Å²	63.7	29%	0.293	32%	0.322	S	S	.	.	H	α-helix	trans	-68.4	-25.2	179.4	-172.3	58.2	0	0	0	112.5	P551 N559 K566	P551-L562 HydrophobicContact CB-CB 4.08Å; P551-L562 HydrophobicContact CB-CD2 4.11Å; P551-L562 HydrophobicContact CB-CG 4.05Å; P551-L562 HydrophobicContact CG-CB 4.41Å; P551-L562 HydrophobicContact CG-CD2 4.33Å; P551-L562 HydrophobicContact CG-CG 4Å; N559-L562 HydrophobicContact CB-CB 4.29Å; N559-L562 VanDerWaalsContact CG-CB 3.49Å; N559-L562 PolarHBondContact O-N 2.79Å; N559-L562 WeakPolarHBondContact OD1-CB 3.47Å; N559-L562 PolarHBondContact OD1-N 2.74Å; L562-K566 HydrophobicContact CD1-CD 3.8Å; L562-K566 HydrophobicContact CD1-CG 4.26Å; L562-K566 HydrophobicContact CG-CD 4.29Å; L562-K566 WeakPolarHBondContact O-CB 3.44Å
563	F	96.8	Very high	94	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-70.1	-48.1	170.3	-170.8	-80.7	0	0	0	111.3	C537 I540 V543 L550 L558 N559 V560 K561 K566 F567 V568 F577	C537-F563 HydrophobicContact CB-CD2 4.47Å; C537-F563 HydrophobicContact CB-CE2 3.7Å; C537-F563 HydrophobicContact CB-CZ 3.74Å; C537-F563 WeakPolarHBondContact O-CZ 3.36Å; I540-F563 HydrophobicContact CG2-CE1 4.25Å; V543-F563 HydrophobicContact CG1-CE2 3.92Å; V543-F563 HydrophobicContact CG1-CZ 4.33Å; L550-F563 HydrophobicContact CD1-CE2 4.37Å; L550-F563 HydrophobicContact CG-CD2 4.21Å; L550-F563 HydrophobicContact CG-CE2 4.08Å; L558-F563 HydrophobicContact CD1-CB 4.21Å; L558-F563 HydrophobicContact CD1-CD2 4.06Å; L558-F563 HydrophobicContact CD1-CG 4.25Å; N559-F563 WeakPolarHBondContact O-CB 3.39Å; N559-F563 PolarHBondContact O-N 3.1Å; V560-F563 PolarHBondContact O-N 3.35Å; K561-F563 PolarHBondContact O-N 3.49Å; F563-K566 PolarHBondContact O-N 3.18Å; F563-F567 HydrophobicContact CD1-CB 4.29Å; F563-F567 HydrophobicContact CD2-CB 4.26Å; F563-F567 HydrophobicContact CD2-CD2 4.29Å; F563-F567 HydrophobicContact CE1-CB 4Å; F563-F567 HydrophobicContact CE2-CB 3.94Å; F563-F567 HydrophobicContact CE2-CG 4.36Å; F563-F567 HydrophobicContact CG-CB 4.4Å; F563-F567 HydrophobicContact CZ-CB 3.79Å; F563-F567 WeakPolarHBondContact O-CB 3.27Å; F563-F567 PolarHBondContact O-N 2.99Å; F563-V568 HydrophobicContact CD1-CG2 3.66Å; F563-V568 HydrophobicContact CE1-CG2 3.62Å; F563-V568 PolarHBondContact O-N 3.48Å; F563-F577 HydrophobicContact CB-CZ 4.47Å; F563-F577 HydrophobicContact CD1-CD2 4.05Å; F563-F577 AromaticContact CD1-CE2 3.3Å; F563-F577 HydrophobicContact CD1-CE2 3.3Å; F563-F577 AromaticContact CD1-CZ 3.89Å; F563-F577 HydrophobicContact CD1-CZ 3.89Å; F563-F577 HydrophobicContact CE1-CD2 4.12Å; F563-F577 AromaticContact CE1-CE2 3.78Å; F563-F577 HydrophobicContact CE1-CE2 3.78Å; F563-F577 HydrophobicContact CG-CE2 4.16Å
564	W	95.6	Very high	94	Very high	34 Å²	34	61.4 Å²	61.4	13%	0.129	31%	0.314	C	S	.	.	H	α-helix	trans	-55	-53.5	175.6	-178	-93.7	0	0	0	111.8	V560 K561 K566 V568 F577 L632 T633 R634	V560-W564 PolarHBondContact O-N 3.49Å; K561-W564 WeakPolarHBondContact O-CB 3.16Å; K561-W564 PolarHBondContact O-N 3.46Å; W564-K566 PolarHBondContact O-N 2.98Å; W564-K566 VanDerWaalsContact O-N 3.11Å; W564-V568 HydrophobicContact CD2-CB 4.38Å; W564-V568 HydrophobicContact CD2-CG1 4.5Å; W564-V568 HydrophobicContact CE3-CB 3.99Å; W564-V568 HydrophobicContact CE3-CG1 3.82Å; W564-V568 HydrophobicContact CE3-CG2 3.94Å; W564-V568 HydrophobicContact CH2-CG1 4.47Å; W564-V568 HydrophobicContact CZ3-CB 4.49Å; W564-V568 HydrophobicContact CZ3-CG1 3.81Å; W564-F577 HydrophobicContact CB-CE1 4.32Å; W564-F577 AromaticContact CE3-CD1 3.39Å; W564-F577 HydrophobicContact CE3-CD1 3.39Å; W564-F577 AromaticContact CE3-CE1 3.75Å; W564-F577 HydrophobicContact CE3-CE1 3.75Å; W564-F577 HydrophobicContact CE3-CG 4.1Å; W564-F577 HydrophobicContact CZ3-CB 4.25Å; W564-F577 AromaticContact CZ3-CD1 3.74Å; W564-F577 HydrophobicContact CZ3-CD1 3.74Å; W564-F577 HydrophobicContact CZ3-CG 4.28Å; W564-L632 HydrophobicContact CB-CD2 3.84Å; W564-L632 HydrophobicContact CD2-CB 4.13Å; W564-L632 HydrophobicContact CD2-CD1 4.18Å; W564-L632 HydrophobicContact CD2-CD2 4.29Å; W564-L632 HydrophobicContact CD2-CG 4.43Å; W564-L632 HydrophobicContact CE3-CD1 4.03Å; W564-L632 HydrophobicContact CG-CB 4.36Å; W564-L632 HydrophobicContact CG-CD2 3.83Å; W564-L632 HydrophobicContact CG-CG 4.46Å; W564-L632 HydrophobicContact CZ2-CB 4.39Å; W564-L632 HydrophobicContact CZ3-CD1 4.47Å; W564-T633 PolarHBondContact NE1-O 3.33Å; W564-T633 VanDerWaalsContact NE1-O 3.11Å; W564-R634 HydrophobicContact CH2-CG 3.89Å; W564-R634 HydrophobicContact CZ2-CG 3.8Å
565	E	94.1	Very high	94.2	Very high	121 Å²	121	52.9 Å²	52.9	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-64.1	-16.1	-175.8	-69.4	173.1	158.6	0	0	115	K561	K561-E565 WeakPolarHBondContact CE-OE1 3.39Å; K561-E565 HydrophobicContact CG-CG 4.39Å; K561-E565 IonicContact NZ-OE1 3.69Å; K561-E565 WeakPolarHBondContact O-CG 3.47Å; K561-E565 PolarHBondContact O-N 3.01Å
566	K	94.4	Very high	94.5	Very high	146 Å²	146	49.1 Å²	49.1	64%	0.635	25%	0.249	S	C	*	.	H	α-helix	trans	-123.2	-28.6	-174.1	-72.2	-174.4	170.2	-176	0	115.7	L562 F563 W564	L562-K566 HydrophobicContact CD1-CD 3.8Å; L562-K566 HydrophobicContact CD1-CG 4.26Å; L562-K566 HydrophobicContact CG-CD 4.29Å; L562-K566 WeakPolarHBondContact O-CB 3.44Å; F563-K566 PolarHBondContact O-N 3.18Å; W564-K566 PolarHBondContact O-N 2.98Å; W564-K566 VanDerWaalsContact O-N 3.11Å
567	F	94.4	Very high	94.8	Very high	56 Å²	56	44.7 Å²	44.7	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-130.2	-10.2	-165.5	-64.3	-79.2	0	0	0	114.4	G541 V543 C549 P551 F563 P569	G541-F567 WeakPolarHBondContact CA-O 3.44Å; V543-F567 HydrophobicContact CB-CD1 3.84Å; V543-F567 HydrophobicContact CB-CE1 3.98Å; V543-F567 HydrophobicContact CG1-CD1 4.16Å; V543-F567 HydrophobicContact CG2-CD1 3.95Å; V543-F567 HydrophobicContact CG2-CE1 3.57Å; V543-F567 HydrophobicContact CG2-CZ 4.14Å; C549-F567 WeakPolarHBondContact O-CZ 3.42Å; P551-F567 VanDerWaalsContact CD-CE2 3.48Å; P551-F567 HydrophobicContact CG-CD2 4.06Å; P551-F567 HydrophobicContact CG-CE2 3.69Å; F563-F567 HydrophobicContact CD1-CB 4.29Å; F563-F567 HydrophobicContact CD2-CB 4.26Å; F563-F567 HydrophobicContact CD2-CD2 4.29Å; F563-F567 HydrophobicContact CE1-CB 4Å; F563-F567 HydrophobicContact CE2-CB 3.94Å; F563-F567 HydrophobicContact CE2-CG 4.36Å; F563-F567 HydrophobicContact CG-CB 4.4Å; F563-F567 HydrophobicContact CZ-CB 3.79Å; F563-F567 WeakPolarHBondContact O-CB 3.27Å; F563-F567 PolarHBondContact O-N 2.99Å; F567-P569 WeakPolarHBondContact O-CD 3.45Å
568	V	94.4	Very high	95	Very high	21 Å²	21	44.6 Å²	44.6	13%	0.127	23%	0.229	C	C	.	.			trans	-91.3	115.5	175.1	-179	0	0	0	0	109.1	I540 F563 W564 C572 F577	I540-V568 HydrophobicContact CG2-CG1 4.44Å; I540-V568 HydrophobicContact CG2-CG2 4.06Å; F563-V568 HydrophobicContact CD1-CG2 3.66Å; F563-V568 HydrophobicContact CE1-CG2 3.62Å; F563-V568 PolarHBondContact O-N 3.48Å; W564-V568 HydrophobicContact CD2-CB 4.38Å; W564-V568 HydrophobicContact CD2-CG1 4.5Å; W564-V568 HydrophobicContact CE3-CB 3.99Å; W564-V568 HydrophobicContact CE3-CG1 3.82Å; W564-V568 HydrophobicContact CE3-CG2 3.94Å; W564-V568 HydrophobicContact CH2-CG1 4.47Å; W564-V568 HydrophobicContact CZ3-CB 4.49Å; W564-V568 HydrophobicContact CZ3-CG1 3.81Å; V568-C572 HydrophobicContact CG1-CB 3.5Å; V568-F577 HydrophobicContact CG2-CD1 4.49Å; V568-F577 HydrophobicContact CG2-CD2 3.88Å; V568-F577 HydrophobicContact CG2-CE2 4.16Å; V568-F577 HydrophobicContact CG2-CG 4.05Å
569	P	91.6	Very high	95.1	Very high	50 Å²	50	44.1 Å²	44.1	33%	0.325	23%	0.227	S	C	.	.			trans	-68.3	153.3	175.5	-17.9	33.6	0	0	0	111.3	W425 F567 D571 C572	W425-P569 HydrophobicContact CH2-CG 4.23Å; W425-P569 HydrophobicContact CZ2-CB 4.05Å; W425-P569 HydrophobicContact CZ2-CG 3.8Å; F567-P569 WeakPolarHBondContact O-CD 3.45Å; P569-D571 WeakPolarHBondContact CB-OD1 3.36Å; P569-D571 PolarHBondContact O-N 3.03Å; P569-C572 WeakPolarHBondContact O-CB 3.24Å; P569-C572 PolarHBondContact O-N 3.31Å
570	T	88.8	Confident	95.2	Very high	139 Å²	139	41.7 Å²	41.7	85%	0.853	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26	-174.6	47.7	0	0	0	0	114	C572	T570-C572 VanDerWaalsContact C-N 3.31Å
571	D	91.8	Very high	95.2	Very high	100 Å²	100	41.7 Å²	41.7	54%	0.535	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	9	177.7	70.1	-27.3	0	0	0	113.7	W425 P569 P573	W425-D571 VanDerWaalsContact CD1-OD2 3.27Å; W425-D571 PolarHBondContact NE1-O 3.06Å; W425-D571 PolarHBondContact NE1-OD1 2.73Å; W425-D571 PolarHBondContact NE1-OD2 2.89Å; P569-D571 WeakPolarHBondContact CB-OD1 3.36Å; P569-D571 PolarHBondContact O-N 3.03Å; D571-P573 WeakPolarHBondContact O-CD 3.47Å
572	C	94.6	Very high	95.4	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.027	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-59.9	121.9	176.2	-176.3	0	0	0	0	111.8	W425 V568 P569 T570 R634	W425-C572 HydrophobicContact CH2-CB 3.84Å; W425-C572 HydrophobicContact CZ2-CB 3.93Å; W425-C572 HydrophobicContact CZ3-CB 4.33Å; V568-C572 HydrophobicContact CG1-CB 3.5Å; P569-C572 WeakPolarHBondContact O-CB 3.24Å; P569-C572 PolarHBondContact O-N 3.31Å; T570-C572 VanDerWaalsContact C-N 3.31Å; C572-R634 PolarHBondContact O-NH2 2.74Å
573	P	95.3	Very high	95.6	Very high	7 Å²	7	35.1 Å²	35.1	5%	0.045	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-56.5	151.3	-175.9	-27.8	33.4	0	0	0	114.8	W425 D571 F576 L608 R634	W425-P573 HydrophobicContact CB-CG 3.74Å; W425-P573 VanDerWaalsContact CD2-CD 3.4Å; W425-P573 HydrophobicContact CD2-CG 4.19Å; W425-P573 VanDerWaalsContact CE3-CD 3.44Å; W425-P573 HydrophobicContact CE3-CG 4.25Å; W425-P573 HydrophobicContact CG-CG 3.97Å; D571-P573 WeakPolarHBondContact O-CD 3.47Å; P573-F576 HydrophobicContact CB-CB 4.27Å; P573-F576 PolarHBondContact O-N 3.5Å; P573-L608 HydrophobicContact CB-CD1 4.16Å; P573-L608 HydrophobicContact CB-CD2 4.22Å; P573-L608 HydrophobicContact CG-CD1 3.68Å; P573-L608 HydrophobicContact CG-CD2 4.02Å; P573-L608 HydrophobicContact CG-CG 4.43Å; P573-R634 PolarHBondContact O-NH2 2.86Å
574	P	93.6	Very high	95.6	Very high	38 Å²	38	35.5 Å²	35.5	25%	0.247	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	148.9	167.8	20	-31.7	0	0	0	112.1	F576 L604 Y607 L615	P574-F576 PolarHBondContact O-N 3.29Å; P574-L604 WeakPolarHBondContact O-CD2 3.32Å; P574-Y607 HydrophobicContact CG-CD1 4.46Å; P574-Y607 HydrophobicContact CG-CE1 3.64Å; P574-L615 HydrophobicContact CB-CD1 3.88Å; P574-L615 HydrophobicContact CG-CD1 3.76Å
575	A	95.8	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-18.5	-175.1	0	0	0	0	0	117.5	F577 P578 L579 L604 L619 D623	A575-F577 PolarHBondContact O-N 3.47Å; A575-P578 WeakPolarHBondContact O-CD 3.48Å; A575-L579 HydrophobicContact CB-CD1 4.47Å; A575-L579 WeakPolarHBondContact O-CB 3.43Å; A575-L579 VanDerWaalsContact O-CG 3.24Å; A575-L579 WeakPolarHBondContact O-CG 3.35Å; A575-L579 PolarHBondContact O-N 2.89Å; A575-L604 HydrophobicContact CB-CD1 4.46Å; A575-L619 HydrophobicContact CB-CB 3.81Å; A575-L619 HydrophobicContact CB-CD2 4.37Å; A575-L619 HydrophobicContact CB-CG 4.46Å; A575-D623 PolarHBondContact N-OD1 3.12Å
576	F	97.9	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-46.4	-170.1	-169.1	-129.5	0	0	0	113.7	W425 K428 V429 A432 L536 I539 I540 P573 P574 A580 F601 L604	W425-F576 AromaticContact CE3-CD1 3.86Å; W425-F576 HydrophobicContact CE3-CD1 3.86Å; W425-F576 AromaticContact CE3-CE1 3.9Å; W425-F576 HydrophobicContact CE3-CE1 3.9Å; W425-F576 AromaticContact CZ3-CD1 3.75Å; W425-F576 HydrophobicContact CZ3-CD1 3.75Å; W425-F576 AromaticContact CZ3-CE1 3.78Å; W425-F576 HydrophobicContact CZ3-CE1 3.78Å; K428-F576 HydrophobicContact CB-CE1 4.06Å; K428-F576 HydrophobicContact CB-CZ 4.22Å; V429-F576 HydrophobicContact CB-CE2 4.46Å; V429-F576 HydrophobicContact CG2-CD1 4.38Å; V429-F576 HydrophobicContact CG2-CD2 3.8Å; V429-F576 HydrophobicContact CG2-CE1 4.34Å; V429-F576 HydrophobicContact CG2-CE2 3.78Å; V429-F576 HydrophobicContact CG2-CG 4.13Å; V429-F576 HydrophobicContact CG2-CZ 4.06Å; A432-F576 HydrophobicContact CB-CE2 3.76Å; A432-F576 HydrophobicContact CB-CZ 4.15Å; L536-F576 HydrophobicContact CD2-CE2 4.31Å; L536-F576 HydrophobicContact CD2-CZ 4.47Å; I539-F576 HydrophobicContact CG2-CZ 4.3Å; I540-F576 HydrophobicContact CD1-CD1 4.14Å; I540-F576 HydrophobicContact CD1-CE1 4.2Å; I540-F576 HydrophobicContact CG1-CD1 3.74Å; I540-F576 HydrophobicContact CG1-CE1 3.5Å; I540-F576 VanDerWaalsContact CG1-CE1 3.5Å; I540-F576 HydrophobicContact CG1-CZ 4.27Å; P573-F576 HydrophobicContact CB-CB 4.27Å; P573-F576 PolarHBondContact O-N 3.5Å; P574-F576 PolarHBondContact O-N 3.29Å; F576-A580 PolarHBondContact O-N 3Å; F576-F601 AromaticContact CD2-CD1 3.96Å; F576-F601 HydrophobicContact CD2-CD1 3.96Å; F576-F601 AromaticContact CD2-CE1 3.69Å; F576-F601 HydrophobicContact CD2-CE1 3.69Å; F576-F601 AromaticContact CE2-CD1 3.89Å; F576-F601 HydrophobicContact CE2-CD1 3.89Å; F576-F601 AromaticContact CE2-CE1 3.66Å; F576-F601 HydrophobicContact CE2-CE1 3.66Å; F576-L604 HydrophobicContact CB-CD1 4.37Å; F576-L604 HydrophobicContact CD2-CD1 4.3Å
577	F	98.1	Very high	95.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-70.9	-43.1	170.4	175.4	-106.9	0	0	0	113.6	I540 L558 V560 F563 W564 V568 A575 L579 A580 A581 L632	I540-F577 HydrophobicContact CD1-CB 4.19Å; I540-F577 HydrophobicContact CD1-CD2 4.16Å; L558-F577 HydrophobicContact CD2-CE2 4.47Å; V560-F577 HydrophobicContact CG1-CE1 3.68Å; V560-F577 HydrophobicContact CG1-CZ 3.7Å; F563-F577 HydrophobicContact CB-CZ 4.47Å; F563-F577 HydrophobicContact CD1-CD2 4.05Å; F563-F577 AromaticContact CD1-CE2 3.3Å; F563-F577 HydrophobicContact CD1-CE2 3.3Å; F563-F577 AromaticContact CD1-CZ 3.89Å; F563-F577 HydrophobicContact CD1-CZ 3.89Å; F563-F577 HydrophobicContact CE1-CD2 4.12Å; F563-F577 AromaticContact CE1-CE2 3.78Å; F563-F577 HydrophobicContact CE1-CE2 3.78Å; F563-F577 HydrophobicContact CG-CE2 4.16Å; W564-F577 HydrophobicContact CB-CE1 4.32Å; W564-F577 AromaticContact CE3-CD1 3.39Å; W564-F577 HydrophobicContact CE3-CD1 3.39Å; W564-F577 AromaticContact CE3-CE1 3.75Å; W564-F577 HydrophobicContact CE3-CE1 3.75Å; W564-F577 HydrophobicContact CE3-CG 4.1Å; W564-F577 HydrophobicContact CZ3-CB 4.25Å; W564-F577 AromaticContact CZ3-CD1 3.74Å; W564-F577 HydrophobicContact CZ3-CD1 3.74Å; W564-F577 HydrophobicContact CZ3-CG 4.28Å; V568-F577 HydrophobicContact CG2-CD1 4.49Å; V568-F577 HydrophobicContact CG2-CD2 3.88Å; V568-F577 HydrophobicContact CG2-CE2 4.16Å; V568-F577 HydrophobicContact CG2-CG 4.05Å; A575-F577 PolarHBondContact O-N 3.47Å; F577-L579 VanDerWaalsContact C-N 3.26Å; F577-L579 PolarHBondContact O-N 3.15Å; F577-A580 WeakPolarHBondContact O-CA 3.41Å; F577-A580 WeakPolarHBondContact O-CB 3.46Å; F577-A580 PolarHBondContact O-N 3.36Å; F577-A581 PolarHBondContact O-N 3.45Å; F577-L632 HydrophobicContact CD1-CD1 4.16Å; F577-L632 HydrophobicContact CE1-CD1 3.89Å
578	P	97.9	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-49.7	-40.5	170.3	-33.5	36.4	0	0	0	115	A575 A581 I582 L622 D623 V626	A575-P578 WeakPolarHBondContact O-CD 3.48Å; P578-A581 PolarHBondContact O-N 2.83Å; P578-I582 PolarHBondContact O-N 3.16Å; P578-L622 HydrophobicContact CB-CD2 4.39Å; P578-L622 HydrophobicContact CB-CG 3.97Å; P578-D623 HydrophobicContact CG-CB 4.28Å; P578-V626 HydrophobicContact CB-CB 3.97Å; P578-V626 HydrophobicContact CB-CG1 4.19Å; P578-V626 HydrophobicContact CB-CG2 4.02Å; P578-V626 HydrophobicContact CG-CB 4.29Å; P578-V626 HydrophobicContact CG-CG1 4.37Å
579	L	98.5	Very high	96	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-43.9	173.8	-73.5	164.5	0	0	0	111.9	A575 F577 I582 C583 L597 F601 L604 L619 L622	A575-L579 HydrophobicContact CB-CD1 4.47Å; A575-L579 WeakPolarHBondContact O-CB 3.43Å; A575-L579 VanDerWaalsContact O-CG 3.24Å; A575-L579 WeakPolarHBondContact O-CG 3.35Å; A575-L579 PolarHBondContact O-N 2.89Å; F577-L579 VanDerWaalsContact C-N 3.26Å; F577-L579 PolarHBondContact O-N 3.15Å; L579-I582 HydrophobicContact CD2-CD1 4.46Å; L579-I582 VanDerWaalsContact O-CG1 3.32Å; L579-I582 WeakPolarHBondContact O-CG1 3.37Å; L579-I582 PolarHBondContact O-N 3.25Å; L579-C583 PolarHBondContact O-N 2.99Å; L579-C583 VanDerWaalsContact O-N 3.15Å; L579-C583 PolarHBondContact O-SG 3.11Å; L579-L597 HydrophobicContact CD2-CD2 4.08Å; L579-F601 HydrophobicContact CB-CE1 4.13Å; L579-F601 HydrophobicContact CB-CZ 4.19Å; L579-F601 HydrophobicContact CD1-CD1 4.05Å; L579-F601 HydrophobicContact CD1-CE1 3.59Å; L579-F601 HydrophobicContact CD1-CZ 4.21Å; L579-F601 HydrophobicContact CG-CE1 4.47Å; L579-L604 HydrophobicContact CD1-CD1 3.57Å; L579-L619 HydrophobicContact CD1-CD2 4.5Å; L579-L619 HydrophobicContact CD2-CD2 4.28Å; L579-L622 HydrophobicContact CD2-CD2 3.61Å; L579-L622 HydrophobicContact CG-CD2 3.89Å
580	A	98.4	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-43.2	174	0	0	0	0	0	112.1	L536 I540 F576 F577 I582 C583 C584	L536-A580 HydrophobicContact CB-CB 3.6Å; L536-A580 HydrophobicContact CD1-CB 3.88Å; L536-A580 HydrophobicContact CG-CB 4.42Å; I540-A580 HydrophobicContact CD1-CB 3.93Å; F576-A580 PolarHBondContact O-N 3Å; F577-A580 WeakPolarHBondContact O-CA 3.41Å; F577-A580 WeakPolarHBondContact O-CB 3.46Å; F577-A580 PolarHBondContact O-N 3.36Å; A580-I582 PolarHBondContact O-N 3.25Å; A580-C583 WeakPolarHBondContact O-CB 3.4Å; A580-C583 PolarHBondContact O-N 3.14Å; A580-C584 PolarHBondContact O-N 2.84Å; A580-C584 VanDerWaalsContact O-N 3.11Å; A580-C584 PolarHBondContact O-SG 3.39Å
581	A	98.1	Very high	96.7	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-39.2	179	0	0	0	0	0	112.8	V560 F577 P578 C584 V626	V560-A581 HydrophobicContact CG1-CB 4.1Å; V560-A581 HydrophobicContact CG2-CB 4.25Å; F577-A581 PolarHBondContact O-N 3.45Å; P578-A581 PolarHBondContact O-N 2.83Å; A581-C584 PolarHBondContact O-N 3.29Å; A581-V626 HydrophobicContact CB-CG1 4.22Å
582	I	98.2	Very high	97	Very high	15 Å²	15	25 Å²	25	8%	0.077	13%	0.129	C	C	.	.	H	α-helix	trans	-75.6	-25.1	176.5	66.8	168	0	0	0	113.7	P578 L579 A580 R585 P592 L622 V626	P578-I582 PolarHBondContact O-N 3.16Å; L579-I582 HydrophobicContact CD2-CD1 4.46Å; L579-I582 VanDerWaalsContact O-CG1 3.32Å; L579-I582 WeakPolarHBondContact O-CG1 3.37Å; L579-I582 PolarHBondContact O-N 3.25Å; A580-I582 PolarHBondContact O-N 3.25Å; I582-R585 VanDerWaalsContact CG2-CZ 3.46Å; I582-R585 WeakPolarHBondContact O-CD 3.41Å; I582-R585 WeakPolarHBondContact O-CG 3.3Å; I582-P592 HydrophobicContact CD1-CB 4.27Å; I582-P592 HydrophobicContact CD1-CG 3.69Å; I582-P592 HydrophobicContact CG1-CG 3.92Å; I582-L622 HydrophobicContact CD1-CD1 3.91Å; I582-L622 HydrophobicContact CD1-CD2 3.92Å; I582-L622 HydrophobicContact CG2-CD1 3.78Å; I582-V626 HydrophobicContact CG2-CG2 4.02Å
583	C	98.6	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-40.6	168.5	-68.6	0	0	0	0	111.3	I529 G533 L579 A580 R585 R591	I529-C583 HydrophobicContact CG2-CB 4.11Å; I529-C583 WeakPolarHBondContact O-CB 3.45Å; G533-C583 VanDerWaalsContact CA-CB 3.5Å; L579-C583 PolarHBondContact O-N 2.99Å; L579-C583 VanDerWaalsContact O-N 3.15Å; L579-C583 PolarHBondContact O-SG 3.11Å; A580-C583 WeakPolarHBondContact O-CB 3.4Å; A580-C583 PolarHBondContact O-N 3.14Å; C583-R585 PolarHBondContact O-N 2.69Å; C583-R585 VanDerWaalsContact O-N 3.14Å; C583-R591 WeakPolarHBondContact O-CD 3.13Å
584	C	98.2	Very high	97.3	Very high	7 Å²	7	27.2 Å²	27.2	5%	0.047	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	14.3	179	-67.5	0	0	0	0	115.2	F530 L558 A580 A581	F530-C584 HydrophobicContact CE2-CB 4.33Å; F530-C584 WeakPolarHBondContact CE2-O 3.38Å; L558-C584 HydrophobicContact CB-CB 3.62Å; L558-C584 HydrophobicContact CD2-CB 3.99Å; L558-C584 HydrophobicContact CG-CB 4.46Å; A580-C584 PolarHBondContact O-N 2.84Å; A580-C584 VanDerWaalsContact O-N 3.11Å; A580-C584 PolarHBondContact O-SG 3.39Å; A581-C584 PolarHBondContact O-N 3.29Å
585	R	97.8	Very high	97.5	Very high	75 Å²	75	28.6 Å²	28.6	28%	0.283	16%	0.158	S	C	.	.			trans	-67.3	140.9	177.7	-78.3	171.3	173.1	174.1	-4.9	112.1	I582 C583 S590 R591	I582-R585 VanDerWaalsContact CG2-CZ 3.46Å; I582-R585 WeakPolarHBondContact O-CD 3.41Å; I582-R585 WeakPolarHBondContact O-CG 3.3Å; C583-R585 PolarHBondContact O-N 2.69Å; C583-R585 VanDerWaalsContact O-N 3.14Å; R585-S590 WeakPolarHBondContact CB-OG 3.35Å; R585-S590 VanDerWaalsContact CD-O 3.32Å; R585-S590 WeakPolarHBondContact CD-O 3.44Å; R585-S590 WeakPolarHBondContact CD-OG 3.34Å; R585-S590 PolarHBondContact NH1-O 3.46Å; R585-R591 HydrophobicContact CB-CG 4.28Å; R585-R591 PolarHBondContact O-NE 3.02Å; R585-R591 PolarHBondContact O-NH2 2.95Å
586	L	95.9	Very high	97.6	Very high	78 Å²	78	32.5 Å²	32.5	41%	0.408	18%	0.175	S	C	.	.	S	Bend	trans	-68.5	-39.9	-179.5	-61.8	175.5	0	0	0	113	P515 D555 P588 R591	P515-L586 HydrophobicContact CB-CD2 4.46Å; P515-L586 HydrophobicContact CG-CD2 3.91Å; D555-L586 HydrophobicContact CB-CD1 4.32Å; D555-L586 VanDerWaalsContact OD2-CD1 3.29Å; D555-L586 WeakPolarHBondContact OD2-CD1 3.07Å; L586-P588 VanDerWaalsContact O-CD 3.32Å; L586-P588 WeakPolarHBondContact O-CD 3.49Å; L586-R591 PolarHBondContact O-NH2 3.11Å
587	E	96.8	Very high	97.6	Very high	105 Å²	105	32.5 Å²	32.5	49%	0.491	18%	0.176	S	C	.	.	S	Bend	trans	-80.3	113.4	177.4	176	47.5	-125.6	0	0	110.2	E589 S590	E587-E589 VanDerWaalsContact C-N 3.33Å; E587-E589 PolarHBondContact O-N 3.5Å; E587-E589 PolarHBondContact OE1-N 2.56Å; E587-S590 WeakPolarHBondContact O-CB 3.05Å; E587-S590 PolarHBondContact O-N 3Å; E587-S590 PolarHBondContact O-OG 3.24Å
588	P	95.6	Very high	97.6	Very high	11 Å²	11	34.9 Å²	34.9	7%	0.071	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-67.3	-29.7	-168.3	-19.9	32.5	0	0	0	114.3	E516 T526 L586 S590 R591	E516-P588 HydrophobicContact CG-CG 3.94Å; T526-P588 WeakPolarHBondContact OG1-CB 3.35Å; L586-P588 VanDerWaalsContact O-CD 3.32Å; L586-P588 WeakPolarHBondContact O-CD 3.49Å; P588-S590 PolarHBondContact O-N 2.88Å; P588-S590 VanDerWaalsContact O-N 3.15Å; P588-R591 PolarHBondContact O-N 2.85Å
589	E	94.8	Very high	97.6	Very high	94 Å²	94	39.6 Å²	39.6	44%	0.439	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-65.9	-14	175.2	-58.5	-73.2	158.1	0	0	113.3	K497 K501 E587	K497-E589 IonicContact NZ-OE2 2.64Å; K497-E589 PolarHBondContact NZ-OE2 3.41Å; K501-E589 WeakPolarHBondContact CE-OE1 3.37Å; K501-E589 IonicContact NZ-OE1 2.69Å; K501-E589 PolarHBondContact NZ-OE1 2.91Å; E587-E589 VanDerWaalsContact C-N 3.33Å; E587-E589 PolarHBondContact O-N 3.5Å; E587-E589 PolarHBondContact OE1-N 2.56Å
590	S	96.1	Very high	97.6	Very high	43 Å²	43	39.9 Å²	39.9	30%	0.301	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-95.6	2.1	-177.9	74	0	0	0	0	114.3	R585 E587 P588	R585-S590 WeakPolarHBondContact CB-OG 3.35Å; R585-S590 VanDerWaalsContact CD-O 3.32Å; R585-S590 WeakPolarHBondContact CD-O 3.44Å; R585-S590 WeakPolarHBondContact CD-OG 3.34Å; R585-S590 PolarHBondContact NH1-O 3.46Å; E587-S590 WeakPolarHBondContact O-CB 3.05Å; E587-S590 PolarHBondContact O-N 3Å; E587-S590 PolarHBondContact O-OG 3.24Å; P588-S590 PolarHBondContact O-N 2.88Å; P588-S590 VanDerWaalsContact O-N 3.15Å
591	R	98.1	Very high	97.6	Very high	15 Å²	15	39.9 Å²	39.9	6%	0.057	21%	0.214	C	C	.	.	S	Bend	trans	-88.4	140	176.9	-57.5	178.7	-169.3	144.8	8.9	110.5	E516 T526 I529 C583 R585 L586 P588	E516-R591 IonicContact OE1-CZ 2.69Å; E516-R591 IonicContact OE1-NH1 2.85Å; E516-R591 PolarHBondContact OE1-NH1 3.31Å; E516-R591 IonicContact OE1-NH2 2.84Å; E516-R591 PolarHBondContact OE1-NH2 2.91Å; E516-R591 IonicContact OE2-CZ 2.74Å; E516-R591 IonicContact OE2-NH1 3.82Å; E516-R591 IonicContact OE2-NH2 3.79Å; E516-R591 PolarHBondContact OE2-NH2 3.43Å; T526-R591 PolarHBondContact O-NH1 2.89Å; I529-R591 HydrophobicContact CB-CB 4.31Å; I529-R591 HydrophobicContact CD1-CB 4.26Å; I529-R591 HydrophobicContact CG2-CB 3.86Å; C583-R591 WeakPolarHBondContact O-CD 3.13Å; R585-R591 HydrophobicContact CB-CG 4.28Å; R585-R591 PolarHBondContact O-NE 3.02Å; R585-R591 PolarHBondContact O-NH2 2.95Å; L586-R591 PolarHBondContact O-NH2 3.11Å; P588-R591 PolarHBondContact O-N 2.85Å
592	P	97.8	Very high	97.5	Very high	25 Å²	25	43.2 Å²	43.2	16%	0.162	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-74.3	136.6	179.1	31.8	-36.7	0	0	0	111.9	I529 I582 L597	I529-P592 WeakPolarHBondContact CD1-O 3.49Å; I529-P592 WeakPolarHBondContact CG2-O 3.42Å; I582-P592 HydrophobicContact CD1-CB 4.27Å; I582-P592 HydrophobicContact CD1-CG 3.69Å; I582-P592 HydrophobicContact CG1-CG 3.92Å; P592-L597 HydrophobicContact CB-CD2 4.3Å; P592-L597 HydrophobicContact CB-CG 4.17Å; P592-L597 HydrophobicContact CG-CD1 4.1Å; P592-L597 HydrophobicContact CG-CD2 3.66Å; P592-L597 HydrophobicContact CG-CG 3.87Å; P592-L597 WeakPolarHBondContact O-CD1 3.32Å
593	A	97.9	Very high	97.5	Very high	56 Å²	56	43.4 Å²	43.4	46%	0.463	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-64.7	149.3	176.5	0	0	0	0	0	112.2	S595 K596 L597	A593-S595 VanDerWaalsContact C-N 3.31Å; A593-S595 PolarHBondContact O-N 3.11Å; A593-K596 PolarHBondContact O-N 3.2Å; A593-L597 PolarHBondContact O-N 3.33Å; A593-L597 VanDerWaalsContact O-N 3.09Å
594	F	98.6	Very high	97.4	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-33.6	-173.6	-83.7	-71	0	0	0	115.4	A436 M439 A440 H443 L452 D528 I529 F532 L597 E598	A436-F594 HydrophobicContact CB-CD1 4.17Å; M439-F594 HydrophobicContact CB-CB 4.32Å; M439-F594 HydrophobicContact CB-CD1 3.53Å; M439-F594 HydrophobicContact CB-CD2 3.72Å; M439-F594 HydrophobicContact CB-CE1 3.55Å; M439-F594 HydrophobicContact CB-CE2 3.75Å; M439-F594 HydrophobicContact CB-CG 3.6Å; M439-F594 HydrophobicContact CB-CZ 3.66Å; M439-F594 HydrophobicContact CE-CD2 4.47Å; M439-F594 HydrophobicContact CE-CE2 3.86Å; M439-F594 HydrophobicContact CE-CZ 4.16Å; M439-F594 HydrophobicContact CG-CD1 4.35Å; M439-F594 HydrophobicContact CG-CE1 3.87Å; M439-F594 HydrophobicContact CG-CE2 4.24Å; M439-F594 HydrophobicContact CG-CZ 3.8Å; A440-F594 HydrophobicContact CB-CB 3.85Å; H443-F594 AromaticContact CE1-CD2 3.44Å; H443-F594 VanDerWaalsContact CE1-CD2 3.44Å; H443-F594 WeakPolarHBondContact CE1-CD2 3.37Å; H443-F594 AromaticContact CE1-CE2 3.53Å; H443-F594 AromaticContact ND1-CD2 3.55Å; L452-F594 HydrophobicContact CD2-CZ 4.26Å; D528-F594 HydrophobicContact CB-CE2 3.83Å; D528-F594 HydrophobicContact CB-CZ 4.24Å; I529-F594 HydrophobicContact CB-CE2 4.33Å; I529-F594 HydrophobicContact CG1-CD2 3.85Å; I529-F594 HydrophobicContact CG1-CE2 3.57Å; I529-F594 HydrophobicContact CG1-CZ 4.19Å; F532-F594 HydrophobicContact CB-CE1 3.7Å; F532-F594 HydrophobicContact CB-CZ 3.72Å; F532-F594 HydrophobicContact CD1-CD1 4.37Å; F532-F594 AromaticContact CD1-CE1 3.61Å; F532-F594 HydrophobicContact CD1-CE1 3.61Å; F532-F594 HydrophobicContact CD1-CZ 4.39Å; F532-F594 HydrophobicContact CD2-CE1 4.25Å; F532-F594 HydrophobicContact CE1-CE1 4.25Å; F532-F594 AromaticContact CG-CE1 3.59Å; F532-F594 HydrophobicContact CG-CE1 3.59Å; F532-F594 HydrophobicContact CG-CZ 4.15Å; F594-L597 HydrophobicContact CD1-CD1 4.03Å; F594-L597 HydrophobicContact CE1-CD1 4.42Å; F594-L597 WeakPolarHBondContact O-CB 3.44Å; F594-L597 PolarHBondContact O-N 3.36Å; F594-E598 PolarHBondContact O-N 2.88Å
595	S	97.6	Very high	97.2	Very high	67 Å²	67	43.7 Å²	43.7	47%	0.469	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-41.5	174.3	51	0	0	0	0	112.3	A593 L597 E598 D599	A593-S595 VanDerWaalsContact C-N 3.31Å; A593-S595 PolarHBondContact O-N 3.11Å; S595-L597 VanDerWaalsContact C-N 3.31Å; S595-L597 PolarHBondContact O-N 2.99Å; S595-E598 WeakPolarHBondContact O-CB 3.45Å; S595-E598 PolarHBondContact O-N 3.2Å; S595-D599 PolarHBondContact O-N 2.89Å
596	K	97.9	Very high	97.1	Very high	82 Å²	82	43.7 Å²	43.7	36%	0.357	24%	0.24	S	C	.	.	H	α-helix	trans	-71.5	-28.6	176.6	-173.7	57.4	177.1	-178.9	0	112.2	A593 D599 S600 E618	A593-K596 PolarHBondContact O-N 3.2Å; K596-D599 HydrophobicContact CD-CB 4.5Å; K596-S600 WeakPolarHBondContact O-CB 3.31Å; K596-S600 PolarHBondContact O-N 3.1Å; K596-S600 VanDerWaalsContact O-N 3.11Å; K596-S600 PolarHBondContact O-OG 3.4Å; K596-E618 WeakPolarHBondContact CE-OE2 3.02Å; K596-E618 IonicContact NZ-OE1 2.66Å; K596-E618 IonicContact NZ-OE2 2.69Å; K596-E618 PolarHBondContact NZ-OE2 2.99Å
597	L	98.5	Very high	97.1	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-44.1	170	-74.3	168.4	0	0	0	111.4	A436 I529 F532 L579 P592 A593 F594 S595 S600 F601	A436-L597 HydrophobicContact CB-CB 4.19Å; I529-L597 HydrophobicContact CG2-CD1 4.11Å; F532-L597 HydrophobicContact CD1-CD1 3.97Å; F532-L597 HydrophobicContact CE1-CD1 3.93Å; L579-L597 HydrophobicContact CD2-CD2 4.08Å; P592-L597 HydrophobicContact CB-CD2 4.3Å; P592-L597 HydrophobicContact CB-CG 4.17Å; P592-L597 HydrophobicContact CG-CD1 4.1Å; P592-L597 HydrophobicContact CG-CD2 3.66Å; P592-L597 HydrophobicContact CG-CG 3.87Å; P592-L597 WeakPolarHBondContact O-CD1 3.32Å; A593-L597 PolarHBondContact O-N 3.33Å; A593-L597 VanDerWaalsContact O-N 3.09Å; F594-L597 HydrophobicContact CD1-CD1 4.03Å; F594-L597 HydrophobicContact CE1-CD1 4.42Å; F594-L597 WeakPolarHBondContact O-CB 3.44Å; F594-L597 PolarHBondContact O-N 3.36Å; S595-L597 VanDerWaalsContact C-N 3.31Å; S595-L597 PolarHBondContact O-N 2.99Å; L597-S600 WeakPolarHBondContact O-CB 3.48Å; L597-S600 PolarHBondContact O-N 3.48Å; L597-S600 VanDerWaalsContact O-N 3.15Å; L597-F601 HydrophobicContact CB-CD2 4.44Å; L597-F601 HydrophobicContact CB-CE2 3.97Å; L597-F601 HydrophobicContact CD2-CE2 4.13Å; L597-F601 HydrophobicContact CD2-CZ 4.24Å; L597-F601 WeakPolarHBondContact O-CD2 3.45Å; L597-F601 WeakPolarHBondContact O-CG 3.22Å; L597-F601 PolarHBondContact O-N 2.94Å
598	E	98.3	Very high	96.9	Very high	50 Å²	50	41.6 Å²	41.6	23%	0.234	23%	0.226	C	C	.	.	H	α-helix	trans	-57.5	-49	173.6	178.5	176.8	-162.3	0	0	111.8	K433 A436 S437 F594 S595 S600 F601 E602	K433-E598 HydrophobicContact CG-CG 4.29Å; A436-E598 HydrophobicContact CB-CB 4.33Å; S437-E598 VanDerWaalsContact CB-CD 3.44Å; S437-E598 WeakPolarHBondContact CB-OE1 3.34Å; S437-E598 VanDerWaalsContact OG-CD 3.31Å; S437-E598 PolarHBondContact OG-OE1 3.22Å; F594-E598 PolarHBondContact O-N 2.88Å; S595-E598 WeakPolarHBondContact O-CB 3.45Å; S595-E598 PolarHBondContact O-N 3.2Å; E598-S600 PolarHBondContact O-N 3.32Å; E598-F601 PolarHBondContact O-N 3Å; E598-E602 PolarHBondContact O-N 3.3Å
599	D	97.8	Very high	96.7	Very high	99 Å²	99	42 Å²	42	53%	0.529	23%	0.233	S	C	.	.	H	α-helix	trans	-54.5	-42.9	173.7	-66	-32.5	0	0	0	111.5	S595 K596 E602 A603	S595-D599 PolarHBondContact O-N 2.89Å; K596-D599 HydrophobicContact CD-CB 4.5Å; D599-E602 PolarHBondContact O-N 3.32Å; D599-A603 PolarHBondContact O-N 3.4Å
600	S	98.3	Very high	96.2	Very high	8 Å²	8	47.2 Å²	47.2	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-69.6	-40.3	-177.1	-58.6	0	0	0	0	112.7	K596 L597 E598 L604	K596-S600 WeakPolarHBondContact O-CB 3.31Å; K596-S600 PolarHBondContact O-N 3.1Å; K596-S600 VanDerWaalsContact O-N 3.11Å; K596-S600 PolarHBondContact O-OG 3.4Å; L597-S600 WeakPolarHBondContact O-CB 3.48Å; L597-S600 PolarHBondContact O-N 3.48Å; L597-S600 VanDerWaalsContact O-N 3.15Å; E598-S600 PolarHBondContact O-N 3.32Å; S600-L604 WeakPolarHBondContact O-CG 3.41Å; S600-L604 PolarHBondContact O-N 3.44Å
601	F	98.3	Very high	95.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-76.6	-26	175.3	-59.9	-54.7	0	0	0	113	V429 A432 K433 A436 F532 L536 F576 L579 L597 E598 L604 S605	V429-F601 HydrophobicContact CG1-CB 4.23Å; V429-F601 VanDerWaalsContact CG1-O 3.23Å; V429-F601 WeakPolarHBondContact CG1-O 3.3Å; A432-F601 HydrophobicContact CB-CD1 3.9Å; A432-F601 HydrophobicContact CB-CD2 3.98Å; A432-F601 HydrophobicContact CB-CE1 3.98Å; A432-F601 HydrophobicContact CB-CE2 4.06Å; A432-F601 HydrophobicContact CB-CG 3.92Å; A432-F601 HydrophobicContact CB-CZ 4.07Å; K433-F601 HydrophobicContact CB-CB 3.7Å; K433-F601 HydrophobicContact CG-CB 4.24Å; A436-F601 HydrophobicContact CB-CD2 4.1Å; A436-F601 HydrophobicContact CB-CE2 4.27Å; F532-F601 AromaticContact CE1-CE2 3.65Å; F532-F601 HydrophobicContact CE1-CE2 3.65Å; F532-F601 HydrophobicContact CE1-CZ 4.06Å; F532-F601 HydrophobicContact CZ-CD2 4.44Å; F532-F601 AromaticContact CZ-CE2 3.56Å; F532-F601 HydrophobicContact CZ-CE2 3.56Å; F532-F601 HydrophobicContact CZ-CZ 4.08Å; L536-F601 HydrophobicContact CD1-CZ 3.85Å; L536-F601 HydrophobicContact CD2-CE1 4.45Å; L536-F601 HydrophobicContact CD2-CZ 4.02Å; F576-F601 AromaticContact CD2-CD1 3.96Å; F576-F601 HydrophobicContact CD2-CD1 3.96Å; F576-F601 AromaticContact CD2-CE1 3.69Å; F576-F601 HydrophobicContact CD2-CE1 3.69Å; F576-F601 AromaticContact CE2-CD1 3.89Å; F576-F601 HydrophobicContact CE2-CD1 3.89Å; F576-F601 AromaticContact CE2-CE1 3.66Å; F576-F601 HydrophobicContact CE2-CE1 3.66Å; L579-F601 HydrophobicContact CB-CE1 4.13Å; L579-F601 HydrophobicContact CB-CZ 4.19Å; L579-F601 HydrophobicContact CD1-CD1 4.05Å; L579-F601 HydrophobicContact CD1-CE1 3.59Å; L579-F601 HydrophobicContact CD1-CZ 4.21Å; L579-F601 HydrophobicContact CG-CE1 4.47Å; L597-F601 HydrophobicContact CB-CD2 4.44Å; L597-F601 HydrophobicContact CB-CE2 3.97Å; L597-F601 HydrophobicContact CD2-CE2 4.13Å; L597-F601 HydrophobicContact CD2-CZ 4.24Å; L597-F601 WeakPolarHBondContact O-CD2 3.45Å; L597-F601 WeakPolarHBondContact O-CG 3.22Å; L597-F601 PolarHBondContact O-N 2.94Å; E598-F601 PolarHBondContact O-N 3Å; F601-L604 HydrophobicContact CD1-CD1 4.16Å; F601-S605 WeakPolarHBondContact O-CB 3.43Å; F601-S605 PolarHBondContact O-N 2.71Å
602	E	96.9	Very high	95.3	Very high	74 Å²	74	53 Å²	53	35%	0.346	30%	0.296	S	S	.	.	H	α-helix	trans	-66.7	-46.9	168.1	-173.7	76.8	126.8	0	0	110.9	K433 E598 D599 L604 S605 L606	K433-E602 HydrophobicContact CD-CB 4.38Å; K433-E602 WeakPolarHBondContact CD-OE2 3.32Å; K433-E602 VanDerWaalsContact CE-OE2 3.26Å; K433-E602 WeakPolarHBondContact CE-OE2 3.38Å; K433-E602 IonicContact NZ-OE1 2.89Å; K433-E602 PolarHBondContact NZ-OE1 2.76Å; K433-E602 IonicContact NZ-OE2 2.73Å; K433-E602 PolarHBondContact NZ-OE2 2.97Å; E598-E602 PolarHBondContact O-N 3.3Å; D599-E602 PolarHBondContact O-N 3.32Å; E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 3.19Å; E602-S605 CarbonylContact O-C 3.57Å; E602-S605 PolarHBondContact O-N 3Å; E602-L606 HydrophobicContact CG-CD1 4.23Å; E602-L606 WeakPolarHBondContact O-CG 3.32Å; E602-L606 PolarHBondContact O-N 3.04Å
603	A	96.8	Very high	95.1	Very high	20 Å²	20	55.3 Å²	55.3	17%	0.165	31%	0.306	C	S	.	.	H	α-helix	trans	-56.3	-44	174.6	0	0	0	0	0	111.8	D599 L606 Y607 P616 L619	D599-A603 PolarHBondContact O-N 3.4Å; A603-L606 PolarHBondContact O-N 3.43Å; A603-Y607 WeakPolarHBondContact O-CB 3.41Å; A603-Y607 PolarHBondContact O-N 3Å; A603-P616 HydrophobicContact CB-CG 3.9Å; A603-L619 HydrophobicContact CB-CD1 4.12Å
604	L	96.5	Very high	94.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-35.7	173.4	-76.4	164.7	0	0	0	113.2	V429 P574 A575 F576 L579 S600 F601 E602 L606 Y607 L608 L615 L619	V429-L604 HydrophobicContact CG1-CB 3.72Å; V429-L604 HydrophobicContact CG2-CB 4.45Å; P574-L604 WeakPolarHBondContact O-CD2 3.32Å; A575-L604 HydrophobicContact CB-CD1 4.46Å; F576-L604 HydrophobicContact CB-CD1 4.37Å; F576-L604 HydrophobicContact CD2-CD1 4.3Å; L579-L604 HydrophobicContact CD1-CD1 3.57Å; S600-L604 WeakPolarHBondContact O-CG 3.41Å; S600-L604 PolarHBondContact O-N 3.44Å; F601-L604 HydrophobicContact CD1-CD1 4.16Å; E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 3.19Å; L604-L606 VanDerWaalsContact C-N 3.3Å; L604-L606 PolarHBondContact O-N 2.84Å; L604-Y607 PolarHBondContact O-N 2.9Å; L604-L608 WeakPolarHBondContact O-CB 3.32Å; L604-L608 VanDerWaalsContact O-CG 3.29Å; L604-L608 WeakPolarHBondContact O-CG 3.43Å; L604-L608 PolarHBondContact O-N 3.1Å; L604-L615 HydrophobicContact CD2-CD1 4.26Å; L604-L615 HydrophobicContact CD2-CD2 3.75Å; L604-L615 HydrophobicContact CG-CD2 4.23Å; L604-L619 HydrophobicContact CG-CD1 4.3Å
605	S	95.6	Very high	94.7	Very high	13 Å²	13	58.4 Å²	58.4	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-71.5	-24	176.1	-171.6	0	0	0	0	113.1	F601 E602 G609	F601-S605 WeakPolarHBondContact O-CB 3.43Å; F601-S605 PolarHBondContact O-N 2.71Å; E602-S605 CarbonylContact O-C 3.57Å; E602-S605 PolarHBondContact O-N 3Å; S605-G609 PolarHBondContact O-N 3.36Å
606	L	95.1	Very high	94.6	Very high	75 Å²	75	58 Å²	58	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-83.1	-36.4	173.8	-68.5	171.2	0	0	0	111.9	E602 A603 L604 G609 I613	E602-L606 HydrophobicContact CG-CD1 4.23Å; E602-L606 WeakPolarHBondContact O-CG 3.32Å; E602-L606 PolarHBondContact O-N 3.04Å; A603-L606 PolarHBondContact O-N 3.43Å; L604-L606 VanDerWaalsContact C-N 3.3Å; L604-L606 PolarHBondContact O-N 2.84Å; L606-G609 PolarHBondContact O-N 2.95Å; L606-I613 HydrophobicContact CB-CB 4.05Å; L606-I613 HydrophobicContact CB-CG1 4.08Å; L606-I613 PolarHBondContact O-N 2.9Å
607	Y	95.3	Very high	94.5	Very high	91 Å²	91	57.4 Å²	57.4	36%	0.357	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-46.3	171.3	170.7	-105.1	0	0	0	112.2	P574 A603 L604 G609 I613 L615	P574-Y607 HydrophobicContact CG-CD1 4.46Å; P574-Y607 HydrophobicContact CG-CE1 3.64Å; A603-Y607 WeakPolarHBondContact O-CB 3.41Å; A603-Y607 PolarHBondContact O-N 3Å; L604-Y607 PolarHBondContact O-N 2.9Å; Y607-G609 PolarHBondContact O-N 3.41Å; Y607-I613 WeakPolarHBondContact CA-O 3.32Å; Y607-I613 VanDerWaalsContact CB-O 3.29Å; Y607-I613 WeakPolarHBondContact CB-O 3.22Å; Y607-I613 WeakPolarHBondContact CD2-O 3.16Å; Y607-L615 HydrophobicContact CD1-CD2 4.2Å; Y607-L615 HydrophobicContact CD1-CG 4.35Å; Y607-L615 HydrophobicContact CD2-CD2 4.36Å; Y607-L615 HydrophobicContact CD2-CG 4.04Å; Y607-L615 HydrophobicContact CG-CD2 3.8Å; Y607-L615 HydrophobicContact CG-CG 3.94Å
608	L	93.8	Very high	94.3	Very high	47 Å²	47	62.8 Å²	62.8	25%	0.246	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	5.4	172.8	-60.3	174.4	0	0	0	113.2	W425 Q426 V429 P573 L604	W425-L608 HydrophobicContact CB-CD1 4.37Å; Q426-L608 HydrophobicContact CB-CB 4.49Å; Q426-L608 HydrophobicContact CG-CB 4.25Å; Q426-L608 PolarHBondContact NE2-O 2.96Å; V429-L608 HydrophobicContact CB-CD1 4.37Å; V429-L608 HydrophobicContact CG2-CD1 3.75Å; P573-L608 HydrophobicContact CB-CD1 4.16Å; P573-L608 HydrophobicContact CB-CD2 4.22Å; P573-L608 HydrophobicContact CG-CD1 3.68Å; P573-L608 HydrophobicContact CG-CD2 4.02Å; P573-L608 HydrophobicContact CG-CG 4.43Å; L604-L608 WeakPolarHBondContact O-CB 3.32Å; L604-L608 VanDerWaalsContact O-CG 3.29Å; L604-L608 WeakPolarHBondContact O-CG 3.43Å; L604-L608 PolarHBondContact O-N 3.1Å
609	G	90.5	Very high	94.2	Very high	21 Å²	21	60.8 Å²	60.8	22%	0.216	34%	0.343	C	S	.	.	S	Bend	trans	-87.4	168.8	178.9	0	0	0	0	0	112.7	S605 L606 Y607 L611 G612	S605-G609 PolarHBondContact O-N 3.36Å; L606-G609 PolarHBondContact O-N 2.95Å; Y607-G609 PolarHBondContact O-N 3.41Å; G609-L611 PolarHBondContact O-N 3.09Å; G609-G612 PolarHBondContact O-N 2.7Å
610	E	85.6	Confident	94	Very high	203 Å²	203	61.4 Å²	61.4	95%	0.949	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.6	174.9	-64.3	171.9	-166.1	0	0	113.5
611	L	85.3	Confident	93.9	Very high	133 Å²	133	67.5 Å²	67.5	70%	0.696	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.2	178.4	-60.3	178.2	0	0	0	114	G609 I613	G609-L611 PolarHBondContact O-N 3.09Å; L611-I613 VanDerWaalsContact C-N 3.28Å; L611-I613 HydrophobicContact CB-CD1 3.81Å; L611-I613 HydrophobicContact CB-CG1 3.87Å; L611-I613 PolarHBondContact O-N 2.85Å
612	G	88.8	Confident	93.8	Very high	45 Å²	45	68.8 Å²	68.8	46%	0.464	38%	0.377	S	S	.	.			trans	54	36.9	177.2	0	0	0	0	0	114.9	G609	G609-G612 PolarHBondContact O-N 2.7Å
613	I	93.6	Very high	93.6	Very high	74 Å²	74	66.4 Å²	66.4	38%	0.379	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-64.1	126	-171.2	-57.5	-59.4	0	0	0	110.3	L606 Y607 L611	L606-I613 HydrophobicContact CB-CB 4.05Å; L606-I613 HydrophobicContact CB-CG1 4.08Å; L606-I613 PolarHBondContact O-N 2.9Å; Y607-I613 WeakPolarHBondContact CA-O 3.32Å; Y607-I613 VanDerWaalsContact CB-O 3.29Å; Y607-I613 WeakPolarHBondContact CB-O 3.22Å; Y607-I613 WeakPolarHBondContact CD2-O 3.16Å; L611-I613 VanDerWaalsContact C-N 3.28Å; L611-I613 HydrophobicContact CB-CD1 3.81Å; L611-I613 HydrophobicContact CB-CG1 3.87Å; L611-I613 PolarHBondContact O-N 2.85Å
614	P	93.9	Very high	93.5	Very high	106 Å²	106	71.2 Å²	71.2	69%	0.688	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-55.2	146.4	178.3	-27.3	35.4	0	0	0	113
615	L	94	Very high	93.4	Very high	18 Å²	18	74.4 Å²	74.4	9%	0.094	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-68.6	147.2	178.6	-70.5	-179.5	0	0	0	111.5	P574 L604 Y607 L619 E620	P574-L615 HydrophobicContact CB-CD1 3.88Å; P574-L615 HydrophobicContact CG-CD1 3.76Å; L604-L615 HydrophobicContact CD2-CD1 4.26Å; L604-L615 HydrophobicContact CD2-CD2 3.75Å; L604-L615 HydrophobicContact CG-CD2 4.23Å; Y607-L615 HydrophobicContact CD1-CD2 4.2Å; Y607-L615 HydrophobicContact CD1-CG 4.35Å; Y607-L615 HydrophobicContact CD2-CD2 4.36Å; Y607-L615 HydrophobicContact CD2-CG 4.04Å; Y607-L615 HydrophobicContact CG-CD2 3.8Å; Y607-L615 HydrophobicContact CG-CG 3.94Å; L615-L619 HydrophobicContact CD2-CD1 4.29Å; L615-E620 HydrophobicContact CB-CG 4.11Å
616	P	95.6	Very high	93.3	Very high	59 Å²	59	73.8 Å²	73.8	38%	0.383	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-60.4	138	165.5	-21.2	32.6	0	0	0	110.6	A603 E618 L619 E620	A603-P616 HydrophobicContact CB-CG 3.9Å; P616-E618 PolarHBondContact O-N 3.32Å; P616-L619 WeakPolarHBondContact O-CB 3.37Å; P616-L619 PolarHBondContact O-N 2.63Å; P616-E620 PolarHBondContact O-N 3.37Å
617	A	95.2	Very high	93.3	Very high	69 Å²	69	71.1 Å²	71.1	57%	0.57	39%	0.388	S	S	*	.	H	α-helix	trans	-53.7	-29.2	-179.5	0	0	0	0	0	113.8	L619 E620 E621	A617-L619 PolarHBondContact O-N 3.15Å; A617-E620 PolarHBondContact O-N 2.83Å; A617-E621 WeakPolarHBondContact O-CB 3.45Å; A617-E621 PolarHBondContact O-N 2.69Å
618	E	94.8	Very high	93.2	Very high	113 Å²	113	73.3 Å²	73.3	53%	0.528	40%	0.403	S	S	.	.	H	α-helix	trans	-59.1	-32.3	173.6	-62	179.1	-153.8	0	0	113.4	K596 P616 L622	K596-E618 WeakPolarHBondContact CE-OE2 3.02Å; K596-E618 IonicContact NZ-OE1 2.66Å; K596-E618 IonicContact NZ-OE2 2.69Å; K596-E618 PolarHBondContact NZ-OE2 2.99Å; P616-E618 PolarHBondContact O-N 3.32Å; E618-L622 VanDerWaalsContact O-CB 3.22Å; E618-L622 WeakPolarHBondContact O-CB 3.33Å; E618-L622 PolarHBondContact O-N 3.05Å; E618-L622 VanDerWaalsContact O-N 3.09Å
619	L	95.7	Very high	93.2	Very high	8 Å²	8	76.2 Å²	76.2	4%	0.042	42%	0.416	C	S	.	.	H	α-helix	trans	-82.6	-32.7	177.8	-64.1	-171.6	0	0	0	111.9	A575 L579 A603 L604 L615 P616 A617 L622 D623	A575-L619 HydrophobicContact CB-CB 3.81Å; A575-L619 HydrophobicContact CB-CD2 4.37Å; A575-L619 HydrophobicContact CB-CG 4.46Å; L579-L619 HydrophobicContact CD1-CD2 4.5Å; L579-L619 HydrophobicContact CD2-CD2 4.28Å; A603-L619 HydrophobicContact CB-CD1 4.12Å; L604-L619 HydrophobicContact CG-CD1 4.3Å; L615-L619 HydrophobicContact CD2-CD1 4.29Å; P616-L619 WeakPolarHBondContact O-CB 3.37Å; P616-L619 PolarHBondContact O-N 2.63Å; A617-L619 PolarHBondContact O-N 3.15Å; L619-L622 HydrophobicContact CD2-CD2 4.36Å; L619-L622 PolarHBondContact O-N 3.03Å; L619-D623 WeakPolarHBondContact O-CB 3.44Å; L619-D623 PolarHBondContact O-N 3.28Å
620	E	94.8	Very high	93.2	Very high	112 Å²	112	78.9 Å²	78.9	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-68.3	-44.3	172.8	-57.1	-176.7	149.4	0	0	111	L615 P616 A617 L622 D623 H624	L615-E620 HydrophobicContact CB-CG 4.11Å; P616-E620 PolarHBondContact O-N 3.37Å; A617-E620 PolarHBondContact O-N 2.83Å; E620-L622 VanDerWaalsContact C-N 3.35Å; E620-D623 PolarHBondContact O-N 2.64Å; E620-H624 WeakPolarHBondContact O-CB 2.76Å; E620-H624 PolarHBondContact O-N 2.9Å
621	E	95.6	Very high	93.5	Very high	136 Å²	136	71.5 Å²	71.5	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-62.6	-40.2	173.1	-175	179.1	-173.6	0	0	111.4	A617 T625	A617-E621 WeakPolarHBondContact O-CB 3.45Å; A617-E621 PolarHBondContact O-N 2.69Å; E621-T625 WeakPolarHBondContact O-CB 3.34Å; E621-T625 PolarHBondContact O-N 3.35Å; E621-T625 PolarHBondContact O-OG1 3.45Å
622	L	95.8	Very high	93.7	Very high	27 Å²	27	65.9 Å²	65.9	14%	0.141	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-46.9	174.7	175.2	63.1	0	0	0	112.1	P578 L579 I582 E618 L619 E620 T625 V626	P578-L622 HydrophobicContact CB-CD2 4.39Å; P578-L622 HydrophobicContact CB-CG 3.97Å; L579-L622 HydrophobicContact CD2-CD2 3.61Å; L579-L622 HydrophobicContact CG-CD2 3.89Å; I582-L622 HydrophobicContact CD1-CD1 3.91Å; I582-L622 HydrophobicContact CD1-CD2 3.92Å; I582-L622 HydrophobicContact CG2-CD1 3.78Å; E618-L622 VanDerWaalsContact O-CB 3.22Å; E618-L622 WeakPolarHBondContact O-CB 3.33Å; E618-L622 PolarHBondContact O-N 3.05Å; E618-L622 VanDerWaalsContact O-N 3.09Å; L619-L622 HydrophobicContact CD2-CD2 4.36Å; L619-L622 PolarHBondContact O-N 3.03Å; E620-L622 VanDerWaalsContact C-N 3.35Å; L622-T625 PolarHBondContact O-N 2.81Å; L622-V626 HydrophobicContact CD1-CG2 3.79Å; L622-V626 WeakPolarHBondContact O-CB 3.17Å; L622-V626 WeakPolarHBondContact O-CG2 3.34Å; L622-V626 PolarHBondContact O-N 3.16Å
623	D	94	Very high	93.4	Very high	25 Å²	25	69 Å²	69	13%	0.134	38%	0.379	C	S	.	.	H	α-helix	trans	-62.7	-46	179.6	-168.7	95.8	0	0	0	111.3	A575 P578 L619 E620 S627 R634	A575-D623 PolarHBondContact N-OD1 3.12Å; P578-D623 HydrophobicContact CG-CB 4.28Å; L619-D623 WeakPolarHBondContact O-CB 3.44Å; L619-D623 PolarHBondContact O-N 3.28Å; E620-D623 PolarHBondContact O-N 2.64Å; D623-S627 WeakPolarHBondContact O-CB 3.29Å; D623-S627 PolarHBondContact O-N 2.55Å; D623-S627 PolarHBondContact O-OG 3.09Å; D623-R634 IonicContact OD1-CZ 2.62Å; D623-R634 IonicContact OD1-NH1 3.85Å; D623-R634 PolarHBondContact OD1-NH1 3.3Å; D623-R634 IonicContact OD1-NH2 2.65Å; D623-R634 IonicContact OD2-NH1 2.77Å; D623-R634 PolarHBondContact OD2-NH1 3.18Å
624	H	94	Very high	92.2	Very high	121 Å²	121	69.6 Å²	69.6	56%	0.56	38%	0.376	S	S	*	.	H	α-helix	trans	-60.8	-49.5	174.1	-178	70.7	0	0	0	112.1	E620 S627 M628	E620-H624 WeakPolarHBondContact O-CB 2.76Å; E620-H624 PolarHBondContact O-N 2.9Å; H624-S627 PolarHBondContact O-N 2.92Å; H624-M628 WeakPolarHBondContact O-CB 3.35Å; H624-M628 WeakPolarHBondContact O-CG 3.45Å; H624-M628 PolarHBondContact O-N 3.49Å
625	T	94.9	Very high	90.6	Very high	66 Å²	66	71 Å²	71	41%	0.405	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-43.4	-175.5	-59.9	0	0	0	0	111.9	E621 L622 Q629	E621-T625 WeakPolarHBondContact O-CB 3.34Å; E621-T625 PolarHBondContact O-N 3.35Å; E621-T625 PolarHBondContact O-OG1 3.45Å; L622-T625 PolarHBondContact O-N 2.81Å; T625-Q629 VanDerWaalsContact O-CB 3.22Å; T625-Q629 WeakPolarHBondContact O-CB 3.43Å; T625-Q629 PolarHBondContact O-N 2.87Å
626	V	94.2	Very high	87.9	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.006	41%	0.41	C	S	.	.	H	α-helix	trans	-68.3	-39.7	176.6	174.1	0	0	0	0	110.8	P578 A581 I582 L622 M628 Q629 Y630 L632	P578-V626 HydrophobicContact CB-CB 3.97Å; P578-V626 HydrophobicContact CB-CG1 4.19Å; P578-V626 HydrophobicContact CB-CG2 4.02Å; P578-V626 HydrophobicContact CG-CB 4.29Å; P578-V626 HydrophobicContact CG-CG1 4.37Å; A581-V626 HydrophobicContact CB-CG1 4.22Å; I582-V626 HydrophobicContact CG2-CG2 4.02Å; L622-V626 HydrophobicContact CD1-CG2 3.79Å; L622-V626 WeakPolarHBondContact O-CB 3.17Å; L622-V626 WeakPolarHBondContact O-CG2 3.34Å; L622-V626 PolarHBondContact O-N 3.16Å; V626-M628 PolarHBondContact O-N 3.28Å; V626-Q629 PolarHBondContact O-N 3.49Å; V626-Y630 HydrophobicContact CG1-CD2 3.91Å; V626-Y630 HydrophobicContact CG1-CE2 4.28Å; V626-Y630 WeakPolarHBondContact O-CD2 3.22Å; V626-Y630 PolarHBondContact O-N 2.88Å; V626-Y630 VanDerWaalsContact O-N 3.09Å; V626-L632 HydrophobicContact CG1-CD1 4.21Å
627	S	93.2	Very high	85.3	Confident	19 Å²	19	78.1 Å²	78.1	13%	0.133	43%	0.428	C	S	.	.	H	α-helix	trans	-62	-44.7	176.6	-60.1	0	0	0	0	111.8	D623 H624 G631 L632	D623-S627 WeakPolarHBondContact O-CB 3.29Å; D623-S627 PolarHBondContact O-N 2.55Å; D623-S627 PolarHBondContact O-OG 3.09Å; H624-S627 PolarHBondContact O-N 2.92Å; S627-G631 CarbonylContact O-C 3.56Å; S627-G631 WeakPolarHBondContact O-CA 3.22Å; S627-G631 PolarHBondContact O-N 3.18Å; S627-L632 PolarHBondContact O-N 3.42Å
628	M	94.1	Very high	82.6	Confident	136 Å²	136	84.4 Å²	84.4	67%	0.67	46%	0.463	S	S	*	.	H	α-helix	trans	-66.6	-38.4	174.4	-70.6	-59.5	-61.5	0	0	112.9	H624 V626 Y630	H624-M628 WeakPolarHBondContact O-CB 3.35Å; H624-M628 WeakPolarHBondContact O-CG 3.45Å; H624-M628 PolarHBondContact O-N 3.49Å; V626-M628 PolarHBondContact O-N 3.28Å; M628-Y630 PolarHBondContact O-N 3.3Å
629	Q	93.8	Very high	82	Confident	109 Å²	109	83 Å²	83	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-64.8	-38.7	-179.3	-178.2	-178.6	-4.4	0	0	112.8	T625 V626	T625-Q629 VanDerWaalsContact O-CB 3.22Å; T625-Q629 WeakPolarHBondContact O-CB 3.43Å; T625-Q629 PolarHBondContact O-N 2.87Å; V626-Q629 PolarHBondContact O-N 3.49Å
630	Y	91.1	Very high	81.3	Confident	76 Å²	76	86.9 Å²	86.9	30%	0.298	48%	0.481	S	S	.	.	H	α-helix	trans	-107.7	-1.1	-175.2	-65.5	-81.5	0	0	0	114	V560 V626 M628	V560-Y630 HydrophobicContact CB-CD1 3.71Å; V560-Y630 HydrophobicContact CB-CD2 4.33Å; V560-Y630 HydrophobicContact CB-CE1 3.86Å; V560-Y630 HydrophobicContact CB-CE2 4.47Å; V560-Y630 HydrophobicContact CB-CG 3.96Å; V560-Y630 HydrophobicContact CG1-CD1 4.04Å; V560-Y630 HydrophobicContact CG1-CD2 3.83Å; V560-Y630 HydrophobicContact CG1-CE1 4.41Å; V560-Y630 HydrophobicContact CG1-CE2 4.22Å; V560-Y630 HydrophobicContact CG1-CG 3.73Å; V560-Y630 HydrophobicContact CG2-CD1 4.16Å; V560-Y630 HydrophobicContact CG2-CE1 3.76Å; V560-Y630 HydrophobicContact CG2-CE2 4.23Å; V626-Y630 HydrophobicContact CG1-CD2 3.91Å; V626-Y630 HydrophobicContact CG1-CE2 4.28Å; V626-Y630 WeakPolarHBondContact O-CD2 3.22Å; V626-Y630 PolarHBondContact O-N 2.88Å; V626-Y630 VanDerWaalsContact O-N 3.09Å; M628-Y630 PolarHBondContact O-N 3.3Å
631	G	91.7	Very high	80.5	Confident	48 Å²	48	85.5 Å²	85.5	50%	0.495	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	40.6	-177.7	0	0	0	0	0	112.6	S627	S627-G631 CarbonylContact O-C 3.56Å; S627-G631 WeakPolarHBondContact O-CA 3.22Å; S627-G631 PolarHBondContact O-N 3.18Å
632	L	89.6	Confident	79.7	Confident	15 Å²	15	82.5 Å²	82.5	8%	0.079	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-81.7	122.1	179.1	-44.4	-178.3	0	0	0	109.2	W564 F577 V626 S627	W564-L632 HydrophobicContact CB-CD2 3.84Å; W564-L632 HydrophobicContact CD2-CB 4.13Å; W564-L632 HydrophobicContact CD2-CD1 4.18Å; W564-L632 HydrophobicContact CD2-CD2 4.29Å; W564-L632 HydrophobicContact CD2-CG 4.43Å; W564-L632 HydrophobicContact CE3-CD1 4.03Å; W564-L632 HydrophobicContact CG-CB 4.36Å; W564-L632 HydrophobicContact CG-CD2 3.83Å; W564-L632 HydrophobicContact CG-CG 4.46Å; W564-L632 HydrophobicContact CZ2-CB 4.39Å; W564-L632 HydrophobicContact CZ3-CD1 4.47Å; F577-L632 HydrophobicContact CD1-CD1 4.16Å; F577-L632 HydrophobicContact CE1-CD1 3.89Å; V626-L632 HydrophobicContact CG1-CD1 4.21Å; S627-L632 PolarHBondContact O-N 3.42Å
633	T	81.4	Confident	78.7	Confident	111 Å²	111	86 Å²	86	68%	0.681	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-98.8	126.5	170.5	48.3	0	0	0	0	109.7	W564	W564-T633 PolarHBondContact NE1-O 3.33Å; W564-T633 VanDerWaalsContact NE1-O 3.11Å
634	R	69.9	Low	77.6	Confident	86 Å²	86	90.1 Å²	90.1	33%	0.325	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-87.9	130.8	154.5	-82.6	-169.9	161.7	102.7	2.6	108.3	W564 C572 P573 D623	W564-R634 HydrophobicContact CH2-CG 3.89Å; W564-R634 HydrophobicContact CZ2-CG 3.8Å; C572-R634 PolarHBondContact O-NH2 2.74Å; P573-R634 PolarHBondContact O-NH2 2.86Å; D623-R634 IonicContact OD1-CZ 2.62Å; D623-R634 IonicContact OD1-NH1 3.85Å; D623-R634 PolarHBondContact OD1-NH1 3.3Å; D623-R634 IonicContact OD1-NH2 2.65Å; D623-R634 IonicContact OD2-NH1 2.77Å; D623-R634 PolarHBondContact OD2-NH1 3.18Å
635	D	58.6	Low	76.5	Confident	136 Å²	136	87.9 Å²	87.9	73%	0.727	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-61.6	153.3	154.1	-66	-50	0	0	0	108.8
636	S	39.3	Very low	75	Confident	108 Å²	108	89.5 Å²	89.5	76%	0.755	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-53.5	144.5	-167	49.8	0	0	0	0	113.6
637	P	39	Very low	73.4	Confident	119 Å²	119	96.9 Å²	96.9	77%	0.773	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-59.7	149.2	-176	26.4	-35.9	0	0	0	112.6
638	P	39.8	Very low	71.7	Confident	200 Å²	200	104 Å²	104	100%	1.299	60%	0.601	S	S	*	*			trans	-71.4	0	175.4	32.7	-36.5	0	0	0	113.2

Retrieved 638 of 638 residues in 736.2 ms (Link to these results)

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