A0A087YCX4_POEFO Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A087YCX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 494 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	R	39.4	Very low	50.5	Low	307 Å²	307	138.1 Å²	138.1	100%	1.158	67%	0.674	S	S	*	*				0	101	0	-78.5	-178.1	-179.6	-169.3	-0.1	107.4	R3	R1-R3 PolarHBondContact O-N 3.2Å
2	L	47.9	Very low	51.1	Low	178 Å²	178	132.3 Å²	132.3	93%	0.932	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.2	170.9	-76.5	155.8	0	0	0	107.7
3	R	52.9	Low	51.8	Low	224 Å²	224	129.2 Å²	129.2	85%	0.845	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-73.3	126.3	176.7	-155.6	-178.1	-162.3	-175	5.2	107.2	R1 L5	R1-R3 PolarHBondContact O-N 3.2Å; R3-L5 PolarHBondContact O-N 3.37Å
4	P	54.1	Low	52.8	Low	117 Å²	117	130.4 Å²	130.4	76%	0.76	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-66.4	131.2	176.2	22.4	-25.4	0	0	0	109.6
5	L	48.4	Very low	53.8	Low	75 Å²	75	131.5 Å²	131.5	39%	0.393	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-60.9	143.9	176.7	-70.9	161.1	0	0	0	110.5	R3 E9 Y10	R3-L5 PolarHBondContact O-N 3.37Å; L5-E9 WeakPolarHBondContact CA-OE2 3.29Å; L5-E9 HydrophobicContact CB-CB 4.44Å; L5-E9 HydrophobicContact CD2-CB 4.34Å; L5-E9 WeakPolarHBondContact CD2-OE2 3.36Å; L5-Y10 HydrophobicContact CB-CD2 4.05Å; L5-Y10 HydrophobicContact CB-CE2 3.63Å
6	R	50.2	Low	54.7	Low	160 Å²	160	131.3 Å²	131.3	60%	0.604	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-72.9	150.3	178.7	-65	-174.7	-123.4	-165.7	0.5	110.4	S8 E9 Y10	R6-S8 PolarHBondContact O-N 3.29Å; R6-E9 HydrophobicContact CB-CG 4.37Å; R6-E9 PolarHBondContact N-OE2 3.14Å; R6-E9 WeakPolarHBondContact O-CB 3.47Å; R6-E9 PolarHBondContact O-N 3.19Å; R6-Y10 PolarHBondContact O-N 3Å
7	P	54.9	Low	55.7	Low	120 Å²	120	126.4 Å²	126.4	78%	0.779	63%	0.626	S	S	*	*	H	α-helix	trans	-54.4	-27.9	-179.9	-27.6	34.6	0	0	0	115.4	G11	P7-G11 PolarHBondContact O-N 3.34Å
8	S	52.4	Low	56.7	Low	89 Å²	89	125.7 Å²	125.7	62%	0.622	62%	0.621	S	S	*	*	H	α-helix	trans	-71.6	-28.6	174.4	57.8	0	0	0	0	113.7	R6 S12	R6-S8 PolarHBondContact O-N 3.29Å; S8-S12 PolarHBondContact O-N 2.98Å; S8-S12 PolarHBondContact O-OG 3.44Å
9	E	49.6	Very low	57.9	Low	65 Å²	65	121.7 Å²	121.7	30%	0.304	60%	0.604	S	S	.	*	H	α-helix	trans	-75.7	-35.9	178.1	-65	166.6	167.5	0	0	110.4	L5 R6 G11 S12 E13	L5-E9 WeakPolarHBondContact CA-OE2 3.29Å; L5-E9 HydrophobicContact CB-CB 4.44Å; L5-E9 HydrophobicContact CD2-CB 4.34Å; L5-E9 WeakPolarHBondContact CD2-OE2 3.36Å; R6-E9 HydrophobicContact CB-CG 4.37Å; R6-E9 PolarHBondContact N-OE2 3.14Å; R6-E9 WeakPolarHBondContact O-CB 3.47Å; R6-E9 PolarHBondContact O-N 3.19Å; E9-G11 PolarHBondContact O-N 2.88Å; E9-S12 WeakPolarHBondContact CA-OG 3.25Å; E9-S12 PolarHBondContact O-N 2.92Å; E9-S12 PolarHBondContact O-OG 3.45Å; E9-E13 WeakPolarHBondContact O-CG 3.35Å; E9-E13 PolarHBondContact O-N 3.11Å
10	Y	52.9	Low	59.1	Low	137 Å²	137	118.3 Å²	118.3	54%	0.537	59%	0.59	S	S	.	*	H	α-helix	trans	-62.4	-38.2	171.8	-85	-82.7	0	0	0	113.1	L5 R6 K14	L5-Y10 HydrophobicContact CB-CD2 4.05Å; L5-Y10 HydrophobicContact CB-CE2 3.63Å; R6-Y10 PolarHBondContact O-N 3Å; Y10-K14 WeakPolarHBondContact O-CB 3.26Å; Y10-K14 PolarHBondContact O-N 3.2Å; Y10-K14 VanDerWaalsContact O-N 3.11Å
11	G	52.4	Low	60.5	Low	47 Å²	47	117.8 Å²	117.8	49%	0.485	59%	0.589	S	S	.	*	H	α-helix	trans	-68	-36.7	177.6	0	0	0	0	0	113.2	P7 E9 K15	P7-G11 PolarHBondContact O-N 3.34Å; E9-G11 PolarHBondContact O-N 2.88Å; G11-K15 WeakPolarHBondContact O-CB 3.15Å; G11-K15 PolarHBondContact O-N 2.73Å
12	S	58	Low	63	Low	69 Å²	69	108.3 Å²	108.3	48%	0.483	56%	0.558	S	S	.	*	H	α-helix	trans	-73.1	-40	175.5	50.3	0	0	0	0	113.1	S8 E9 M16	S8-S12 PolarHBondContact O-N 2.98Å; S8-S12 PolarHBondContact O-OG 3.44Å; E9-S12 WeakPolarHBondContact CA-OG 3.25Å; E9-S12 PolarHBondContact O-N 2.92Å; E9-S12 PolarHBondContact O-OG 3.45Å; S12-M16 WeakPolarHBondContact O-CB 3.27Å; S12-M16 PolarHBondContact O-N 3.25Å
13	E	60.7	Low	65.1	Low	92 Å²	92	99.9 Å²	99.9	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-65.9	-40.2	177.7	-76.7	179.9	170.2	0	0	111.7	E9 M16 A17	E9-E13 WeakPolarHBondContact O-CG 3.35Å; E9-E13 PolarHBondContact O-N 3.11Å; E13-M16 PolarHBondContact O-N 3.09Å; E13-A17 WeakPolarHBondContact O-CB 3.43Å; E13-A17 PolarHBondContact O-N 3.28Å
14	K	65.2	Low	67.1	Low	145 Å²	145	92.1 Å²	92.1	63%	0.63	49%	0.487	S	S	*	.	H	α-helix	trans	-66.7	-41.9	178.6	-155.3	178.2	-175	-172.9	0	112.2	Y10 A17 E18	Y10-K14 WeakPolarHBondContact O-CB 3.26Å; Y10-K14 PolarHBondContact O-N 3.2Å; Y10-K14 VanDerWaalsContact O-N 3.11Å; K14-A17 PolarHBondContact O-N 3.44Å; K14-E18 WeakPolarHBondContact O-CG 3.44Å; K14-E18 PolarHBondContact O-N 3.1Å
15	K	67.8	Low	69	Low	147 Å²	147	92.6 Å²	92.6	64%	0.639	48%	0.483	S	S	*	.	H	α-helix	trans	-65.1	-38.9	175.3	-168.1	174.3	-177.5	179.6	0	111.9	G11 E18 V19	G11-K15 WeakPolarHBondContact O-CB 3.15Å; G11-K15 PolarHBondContact O-N 2.73Å; K15-E18 PolarHBondContact O-N 2.85Å; K15-V19 VanDerWaalsContact O-CG2 3.31Å; K15-V19 WeakPolarHBondContact O-CG2 3.31Å; K15-V19 PolarHBondContact O-N 3.14Å
16	M	67.9	Low	71.3	Confident	128 Å²	128	90.4 Å²	90.4	63%	0.631	47%	0.471	S	S	*	.	H	α-helix	trans	-68.7	-36.2	176.2	-165.1	164.7	64.2	0	0	112.1	S12 E13 T20	S12-M16 WeakPolarHBondContact O-CB 3.27Å; S12-M16 PolarHBondContact O-N 3.25Å; E13-M16 PolarHBondContact O-N 3.09Å; M16-T20 WeakPolarHBondContact O-CB 3.28Å; M16-T20 PolarHBondContact O-N 3.17Å; M16-T20 PolarHBondContact O-OG1 3.12Å
17	A	71.5	Confident	73.5	Confident	49 Å²	49	83.9 Å²	83.9	41%	0.405	45%	0.447	S	S	.	.	H	α-helix	trans	-67.3	-39.1	173.1	0	0	0	0	0	112.6	E13 K14 T20 N21	E13-A17 WeakPolarHBondContact O-CB 3.43Å; E13-A17 PolarHBondContact O-N 3.28Å; K14-A17 PolarHBondContact O-N 3.44Å; A17-T20 PolarHBondContact O-N 3.48Å; A17-N21 WeakPolarHBondContact O-CB 3.32Å; A17-N21 PolarHBondContact O-N 3.24Å; A17-N21 PolarHBondContact O-ND2 3.33Å
18	E	74.9	Confident	75.5	Confident	114 Å²	114	82.8 Å²	82.8	53%	0.533	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-47.2	174.9	-77.2	170.4	-175.1	0	0	112	K14 K15 T20 N21 E22	K14-E18 WeakPolarHBondContact O-CG 3.44Å; K14-E18 PolarHBondContact O-N 3.1Å; K15-E18 PolarHBondContact O-N 2.85Å; E18-T20 VanDerWaalsContact C-N 3.3Å; E18-T20 PolarHBondContact O-N 3.06Å; E18-N21 PolarHBondContact O-N 3.22Å; E18-E22 PolarHBondContact O-N 3.44Å
19	V	79.7	Confident	77.5	Confident	50 Å²	50	82.8 Å²	82.8	30%	0.303	42%	0.421	S	S	.	.	H	α-helix	trans	-62.1	-38	175.5	173.1	0	0	0	0	111.6	K15 E22 A23 L52	K15-V19 VanDerWaalsContact O-CG2 3.31Å; K15-V19 WeakPolarHBondContact O-CG2 3.31Å; K15-V19 PolarHBondContact O-N 3.14Å; V19-E22 PolarHBondContact O-N 2.93Å; V19-A23 WeakPolarHBondContact O-CB 3.26Å; V19-A23 PolarHBondContact O-N 3.49Å; V19-L52 HydrophobicContact CG1-CB 4.06Å; V19-L52 HydrophobicContact CG1-CD2 4.48Å; V19-L52 WeakPolarHBondContact CG1-O 3.44Å
20	T	80.1	Confident	79.8	Confident	53 Å²	53	79.7 Å²	79.7	33%	0.325	41%	0.406	S	S	.	.	H	α-helix	trans	-65.8	-42.1	176.4	-57.4	0	0	0	0	111.5	M16 A17 E18 A23 E24	M16-T20 WeakPolarHBondContact O-CB 3.28Å; M16-T20 PolarHBondContact O-N 3.17Å; M16-T20 PolarHBondContact O-OG1 3.12Å; A17-T20 PolarHBondContact O-N 3.48Å; E18-T20 VanDerWaalsContact C-N 3.3Å; E18-T20 PolarHBondContact O-N 3.06Å; T20-A23 PolarHBondContact O-N 3.3Å; T20-E24 WeakPolarHBondContact O-CG 3.46Å; T20-E24 PolarHBondContact O-N 3.36Å; T20-E24 VanDerWaalsContact O-N 3.08Å
21	N	89.1	Confident	81.8	Confident	107 Å²	107	74.7 Å²	74.7	57%	0.572	39%	0.389	S	S	*	.	H	α-helix	trans	-64.9	-39.9	176.5	-77.4	-23.4	0	0	0	112.2	A17 E18 E24 L25	A17-N21 WeakPolarHBondContact O-CB 3.32Å; A17-N21 PolarHBondContact O-N 3.24Å; A17-N21 PolarHBondContact O-ND2 3.33Å; E18-N21 PolarHBondContact O-N 3.22Å; N21-E24 PolarHBondContact O-N 2.9Å; N21-L25 WeakPolarHBondContact O-CG 3.28Å; N21-L25 PolarHBondContact O-N 3.3Å
22	E	92.1	Very high	83.8	Confident	109 Å²	109	78.5 Å²	78.5	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-43.7	176.3	-170.7	175	-170.6	0	0	111.8	E18 V19 E24 L25 L26 L52	E18-E22 PolarHBondContact O-N 3.44Å; V19-E22 PolarHBondContact O-N 2.93Å; E22-E24 VanDerWaalsContact C-N 3.3Å; E22-E24 PolarHBondContact O-N 3.42Å; E22-L25 WeakPolarHBondContact O-CB 3.16Å; E22-L25 PolarHBondContact O-N 3.04Å; E22-L26 PolarHBondContact O-N 3.38Å; E22-L52 HydrophobicContact CB-CD1 3.96Å; E22-L52 HydrophobicContact CG-CD1 3.65Å
23	A	92.3	Very high	85.5	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60	-39.4	175	0	0	0	0	0	112.4	V19 T20 L26 K27 L52 N53 Y59	V19-A23 WeakPolarHBondContact O-CB 3.26Å; V19-A23 PolarHBondContact O-N 3.49Å; T20-A23 PolarHBondContact O-N 3.3Å; A23-L26 PolarHBondContact O-N 3.05Å; A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 PolarHBondContact O-N 2.71Å; A23-L52 HydrophobicContact CB-CB 3.86Å; A23-L52 HydrophobicContact CB-CD1 4.37Å; A23-N53 HydrophobicContact CB-CB 3.97Å; A23-Y59 HydrophobicContact CB-CE2 3.99Å
24	E	93.9	Very high	86.9	Confident	61 Å²	61	74.8 Å²	74.8	29%	0.285	37%	0.366	S	S	.	.	H	α-helix	trans	-67.7	-36.1	177	-73.5	-66.9	156.2	0	0	112.4	T20 N21 E22 K27 E28 N56 Y59	T20-E24 WeakPolarHBondContact O-CG 3.46Å; T20-E24 PolarHBondContact O-N 3.36Å; T20-E24 VanDerWaalsContact O-N 3.08Å; N21-E24 PolarHBondContact O-N 2.9Å; E22-E24 VanDerWaalsContact C-N 3.3Å; E22-E24 PolarHBondContact O-N 3.42Å; E24-K27 PolarHBondContact O-N 2.81Å; E24-K27 WeakPolarHBondContact OE2-CE 3.48Å; E24-K27 IonicContact OE2-NZ 3.52Å; E24-K27 PolarHBondContact OE2-NZ 3Å; E24-E28 PolarHBondContact O-N 3.16Å; E24-N56 PolarHBondContact OE1-ND2 3.41Å; E24-Y59 VanDerWaalsContact CD-OH 3.26Å; E24-Y59 PolarHBondContact OE1-OH 2.82Å
25	L	94.5	Very high	88	Confident	128 Å²	128	76 Å²	76	67%	0.67	37%	0.371	S	S	*	.	H	α-helix	trans	-64.1	-43.1	173.2	-72.4	170.8	0	0	0	111.9	N21 E22 K27 E28 K29	N21-L25 WeakPolarHBondContact O-CG 3.28Å; N21-L25 PolarHBondContact O-N 3.3Å; E22-L25 WeakPolarHBondContact O-CB 3.16Å; E22-L25 PolarHBondContact O-N 3.04Å; L25-K27 VanDerWaalsContact C-N 3.33Å; L25-E28 PolarHBondContact O-N 3.21Å; L25-K29 WeakPolarHBondContact O-CB 3.49Å; L25-K29 PolarHBondContact O-N 2.79Å
26	L	96.3	Very high	88.9	Confident	28 Å²	28	74.2 Å²	74.2	15%	0.147	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-41.2	175	-69.3	170	0	0	0	111.4	E22 A23 K29 A30 Y45 E48 A49 L52	E22-L26 PolarHBondContact O-N 3.38Å; A23-L26 PolarHBondContact O-N 3.05Å; L26-K29 WeakPolarHBondContact O-CB 3.44Å; L26-K29 PolarHBondContact O-N 2.73Å; L26-A30 WeakPolarHBondContact O-CB 3.49Å; L26-A30 PolarHBondContact O-N 3.36Å; L26-Y45 HydrophobicContact CD2-CD1 3.92Å; L26-Y45 HydrophobicContact CD2-CE1 4.41Å; L26-E48 HydrophobicContact CD1-CB 3.93Å; L26-E48 HydrophobicContact CD2-CB 4.46Å; L26-A49 HydrophobicContact CB-CB 3.85Å; L26-L52 HydrophobicContact CD1-CD1 3.61Å; L26-L52 HydrophobicContact CD1-CG 4.42Å
27	K	96.4	Very high	89.5	Confident	23 Å²	23	74.6 Å²	74.6	10%	0.1	36%	0.363	C	S	.	.	H	α-helix	trans	-61.5	-42.9	173.6	178.4	-134.3	67.2	-170.5	0	111.9	A23 E24 L25 K29 A30 N31 Y46 Y59	A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 PolarHBondContact O-N 2.71Å; E24-K27 PolarHBondContact O-N 2.81Å; E24-K27 WeakPolarHBondContact OE2-CE 3.48Å; E24-K27 IonicContact OE2-NZ 3.52Å; E24-K27 PolarHBondContact OE2-NZ 3Å; L25-K27 VanDerWaalsContact C-N 3.33Å; K27-K29 VanDerWaalsContact C-N 3.34Å; K27-A30 WeakPolarHBondContact O-CB 3.23Å; K27-A30 PolarHBondContact O-N 3.46Å; K27-N31 VanDerWaalsContact O-CG 3.22Å; K27-N31 PolarHBondContact O-N 3.49Å; K27-Y46 HydrophobicContact CG-CD1 4.48Å; K27-Y46 HydrophobicContact CG-CE1 4.1Å; K27-Y59 HydrophobicContact CB-CD1 4.17Å; K27-Y59 HydrophobicContact CB-CE1 3.9Å; K27-Y59 HydrophobicContact CD-CD1 4.07Å; K27-Y59 HydrophobicContact CD-CE1 3.75Å; K27-Y59 HydrophobicContact CG-CD1 3.83Å; K27-Y59 HydrophobicContact CG-CE1 3.84Å
28	E	96.8	Very high	90.1	Very high	98 Å²	98	74.7 Å²	74.7	46%	0.458	36%	0.357	S	S	.	.	H	α-helix	trans	-66.5	-36.6	176	-71.1	-54.1	152.9	0	0	112.7	E24 L25 N31 K32	E24-E28 PolarHBondContact O-N 3.16Å; L25-E28 PolarHBondContact O-N 3.21Å; E28-N31 WeakPolarHBondContact O-CB 3.37Å; E28-N31 PolarHBondContact O-N 2.86Å; E28-N31 PolarHBondContact OE2-ND2 2.96Å; E28-K32 PolarHBondContact O-N 3.16Å
29	K	96.3	Very high	90.7	Very high	89 Å²	89	71.4 Å²	71.4	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-45.2	172	-171.4	175.1	-177.4	-176.8	0	111.3	L25 L26 K27 N31 K32 F33 Y45	L25-K29 WeakPolarHBondContact O-CB 3.49Å; L25-K29 PolarHBondContact O-N 2.79Å; L26-K29 WeakPolarHBondContact O-CB 3.44Å; L26-K29 PolarHBondContact O-N 2.73Å; K27-K29 VanDerWaalsContact C-N 3.34Å; K29-N31 PolarHBondContact O-N 2.78Å; K29-K32 WeakPolarHBondContact O-CB 3.36Å; K29-K32 PolarHBondContact O-N 3.29Å; K29-K32 VanDerWaalsContact O-N 3.17Å; K29-F33 HydrophobicContact CD-CE2 4.43Å; K29-F33 HydrophobicContact CG-CD2 4.15Å; K29-F33 HydrophobicContact CG-CE2 3.82Å; K29-F33 VanDerWaalsContact O-CD2 3.26Å; K29-F33 WeakPolarHBondContact O-CD2 3.31Å; K29-F33 PolarHBondContact O-N 2.96Å; K29-F33 VanDerWaalsContact O-N 3.13Å; K29-Y45 HydrophobicContact CD-CD1 3.92Å; K29-Y45 HydrophobicContact CD-CD2 4.24Å; K29-Y45 HydrophobicContact CD-CE1 3.76Å; K29-Y45 HydrophobicContact CD-CE2 4.08Å; K29-Y45 HydrophobicContact CD-CG 4.18Å; K29-Y45 WeakPolarHBondContact CE-OH 3.33Å; K29-Y45 HydrophobicContact CG-CD1 4.48Å; K29-Y45 HydrophobicContact CG-CD2 4.18Å; K29-Y45 HydrophobicContact CG-CE2 4.35Å; K29-Y45 HydrophobicContact CG-CG 4.27Å; K29-Y45 PolarHBondContact NZ-OH 2.89Å
30	A	95.9	Very high	91	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-61.4	-41.8	174.5	0	0	0	0	0	112.2	L26 K27 K32 F33 F34 Y46	L26-A30 WeakPolarHBondContact O-CB 3.49Å; L26-A30 PolarHBondContact O-N 3.36Å; K27-A30 WeakPolarHBondContact O-CB 3.23Å; K27-A30 PolarHBondContact O-N 3.46Å; A30-K32 VanDerWaalsContact C-N 3.26Å; A30-K32 PolarHBondContact O-N 3.45Å; A30-F33 PolarHBondContact O-N 3.34Å; A30-F34 WeakPolarHBondContact O-CB 3.2Å; A30-F34 PolarHBondContact O-N 2.85Å; A30-Y46 HydrophobicContact CB-CD1 3.49Å; A30-Y46 VanDerWaalsContact CB-CD1 3.49Å; A30-Y46 HydrophobicContact CB-CD2 3.88Å; A30-Y46 HydrophobicContact CB-CE1 3.43Å; A30-Y46 VanDerWaalsContact CB-CE1 3.43Å; A30-Y46 HydrophobicContact CB-CE2 3.82Å; A30-Y46 HydrophobicContact CB-CG 3.69Å
31	N	95.6	Very high	91.4	Very high	32 Å²	32	76.5 Å²	76.5	17%	0.171	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-37.7	174.5	-72.5	-24.9	0	0	0	111.7	K27 E28 K29 K35 Y46 N62	K27-N31 VanDerWaalsContact O-CG 3.22Å; K27-N31 PolarHBondContact O-N 3.49Å; E28-N31 WeakPolarHBondContact O-CB 3.37Å; E28-N31 PolarHBondContact O-N 2.86Å; E28-N31 PolarHBondContact OE2-ND2 2.96Å; K29-N31 PolarHBondContact O-N 2.78Å; N31-K35 WeakPolarHBondContact O-CG 3.31Å; N31-K35 PolarHBondContact O-N 3.34Å; N31-Y46 PolarHBondContact OD1-OH 2.94Å; N31-N62 PolarHBondContact OD1-ND2 3.45Å
32	K	95.7	Very high	91.6	Very high	127 Å²	127	71.4 Å²	71.4	55%	0.552	33%	0.331	S	S	*	.	H	α-helix	trans	-65	-52.8	177.3	-176.6	-178	170.5	-175.8	0	111	E28 K29 A30 F34 K35 E36	E28-K32 PolarHBondContact O-N 3.16Å; K29-K32 WeakPolarHBondContact O-CB 3.36Å; K29-K32 PolarHBondContact O-N 3.29Å; K29-K32 VanDerWaalsContact O-N 3.17Å; A30-K32 VanDerWaalsContact C-N 3.26Å; A30-K32 PolarHBondContact O-N 3.45Å; K32-F34 VanDerWaalsContact C-N 3.27Å; K32-F34 PolarHBondContact O-N 2.75Å; K32-K35 WeakPolarHBondContact O-CB 3.45Å; K32-K35 PolarHBondContact O-N 3.4Å; K32-E36 WeakPolarHBondContact CE-OE1 3.41Å; K32-E36 IonicContact NZ-OE1 3.71Å; K32-E36 WeakPolarHBondContact O-CG 3.5Å; K32-E36 PolarHBondContact O-N 3.21Å
33	F	92.3	Very high	91.8	Very high	42 Å²	42	67.4 Å²	67.4	18%	0.184	31%	0.313	C	S	.	.	H	α-helix	trans	-57.3	-41.6	175.7	-77.4	-66.9	0	0	0	112	K29 A30 K35 E36 K37 D38 N41 A42 Y45	K29-F33 HydrophobicContact CD-CE2 4.43Å; K29-F33 HydrophobicContact CG-CD2 4.15Å; K29-F33 HydrophobicContact CG-CE2 3.82Å; K29-F33 VanDerWaalsContact O-CD2 3.26Å; K29-F33 WeakPolarHBondContact O-CD2 3.31Å; K29-F33 PolarHBondContact O-N 2.96Å; K29-F33 VanDerWaalsContact O-N 3.13Å; A30-F33 PolarHBondContact O-N 3.34Å; F33-K35 VanDerWaalsContact C-N 3.32Å; F33-K35 PolarHBondContact O-N 3.09Å; F33-E36 CarbonylContact O-C 3.58Å; F33-E36 WeakPolarHBondContact O-CA 3.4Å; F33-E36 PolarHBondContact O-N 3.49Å; F33-E36 VanDerWaalsContact O-N 3.09Å; F33-K37 PolarHBondContact O-N 3.38Å; F33-K37 VanDerWaalsContact O-N 3.1Å; F33-D38 CarbonylContact C-O 3.6Å; F33-D38 HydrophobicContact CB-CB 4.26Å; F33-D38 HydrophobicContact CD1-CB 3.94Å; F33-D38 WeakPolarHBondContact CD1-OD2 3.07Å; F33-D38 PolarHBondContact O-N 2.93Å; F33-N41 HydrophobicContact CB-CB 4.21Å; F33-N41 HydrophobicContact CD1-CB 3.72Å; F33-N41 HydrophobicContact CD2-CB 4Å; F33-N41 HydrophobicContact CE1-CB 4Å; F33-N41 HydrophobicContact CE2-CB 4.28Å; F33-N41 HydrophobicContact CG-CB 3.71Å; F33-N41 HydrophobicContact CZ-CB 4.27Å; F33-A42 HydrophobicContact CB-CB 4.13Å; F33-Y45 AromaticContact CD2-CD2 3.56Å; F33-Y45 HydrophobicContact CD2-CD2 3.56Å; F33-Y45 AromaticContact CD2-CE2 3.83Å; F33-Y45 HydrophobicContact CD2-CE2 3.83Å; F33-Y45 AromaticContact CE2-CD2 3.5Å; F33-Y45 HydrophobicContact CE2-CD2 3.5Å; F33-Y45 VanDerWaalsContact CE2-CD2 3.5Å; F33-Y45 AromaticContact CE2-CE2 3.25Å; F33-Y45 HydrophobicContact CE2-CE2 3.25Å; F33-Y45 HydrophobicContact CZ-CE2 4.01Å
34	F	89.6	Confident	91.9	Very high	40 Å²	40	72.3 Å²	72.3	18%	0.175	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-41.5	176.3	-173.1	-82.6	0	0	0	112.4	A30 K32 E36 K37 Y39 A42 L65 A66 R69	A30-F34 WeakPolarHBondContact O-CB 3.2Å; A30-F34 PolarHBondContact O-N 2.85Å; K32-F34 VanDerWaalsContact C-N 3.27Å; K32-F34 PolarHBondContact O-N 2.75Å; F34-E36 VanDerWaalsContact C-N 3.31Å; F34-K37 PolarHBondContact O-N 3.25Å; F34-K37 VanDerWaalsContact O-N 3.13Å; F34-Y39 AromaticContact CD2-CD1 3.74Å; F34-Y39 HydrophobicContact CD2-CD1 3.74Å; F34-Y39 AromaticContact CD2-CE1 3.99Å; F34-Y39 HydrophobicContact CD2-CE1 3.99Å; F34-Y39 HydrophobicContact CE1-CE1 4.45Å; F34-Y39 AromaticContact CE2-CD1 3.79Å; F34-Y39 HydrophobicContact CE2-CD1 3.79Å; F34-Y39 AromaticContact CE2-CE1 3.79Å; F34-Y39 HydrophobicContact CE2-CE1 3.79Å; F34-Y39 HydrophobicContact CG-CD1 4.4Å; F34-Y39 HydrophobicContact CG-CE1 4.4Å; F34-Y39 HydrophobicContact CZ-CD1 4.47Å; F34-Y39 HydrophobicContact CZ-CE1 4.02Å; F34-A42 HydrophobicContact CB-CB 3.93Å; F34-A42 HydrophobicContact CD2-CB 4.43Å; F34-L65 HydrophobicContact CE1-CD2 3.99Å; F34-L65 HydrophobicContact CE2-CB 4.46Å; F34-L65 HydrophobicContact CE2-CD2 4.05Å; F34-L65 HydrophobicContact CE2-CG 3.86Å; F34-L65 HydrophobicContact CZ-CD2 3.44Å; F34-L65 VanDerWaalsContact CZ-CD2 3.44Å; F34-L65 HydrophobicContact CZ-CG 3.58Å; F34-A66 HydrophobicContact CD2-CB 4Å; F34-A66 HydrophobicContact CE2-CB 4.09Å; F34-R69 HydrophobicContact CE2-CG 4.11Å; F34-R69 HydrophobicContact CZ-CG 4.05Å
35	K	89.3	Confident	92.1	Very high	170 Å²	170	71 Å²	71	74%	0.739	33%	0.327	S	S	*	.	H	α-helix	trans	-67.5	-33	176.1	-73.1	171.8	-176.2	176.1	0	112.4	N31 K32 F33 K37	N31-K35 WeakPolarHBondContact O-CG 3.31Å; N31-K35 PolarHBondContact O-N 3.34Å; K32-K35 WeakPolarHBondContact O-CB 3.45Å; K32-K35 PolarHBondContact O-N 3.4Å; F33-K35 VanDerWaalsContact C-N 3.32Å; F33-K35 PolarHBondContact O-N 3.09Å; K35-K37 PolarHBondContact O-N 3.23Å
36	E	86.7	Confident	92.2	Very high	110 Å²	110	65.1 Å²	65.1	51%	0.514	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	1.3	174.2	-68	168.7	179.2	0	0	112.4	K32 F33 F34 D38	K32-E36 WeakPolarHBondContact CE-OE1 3.41Å; K32-E36 IonicContact NZ-OE1 3.71Å; K32-E36 WeakPolarHBondContact O-CG 3.5Å; K32-E36 PolarHBondContact O-N 3.21Å; F33-E36 CarbonylContact O-C 3.58Å; F33-E36 WeakPolarHBondContact O-CA 3.4Å; F33-E36 PolarHBondContact O-N 3.49Å; F33-E36 VanDerWaalsContact O-N 3.09Å; F34-E36 VanDerWaalsContact C-N 3.31Å; E36-D38 PolarHBondContact O-N 3.23Å
37	K	81.6	Confident	92.3	Very high	137 Å²	137	65 Å²	65	60%	0.596	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	14.6	-176.1	-54.1	-176.2	174.1	-167.9	0	114.4	F33 F34 K35 Y39	F33-K37 PolarHBondContact O-N 3.38Å; F33-K37 VanDerWaalsContact O-N 3.1Å; F34-K37 PolarHBondContact O-N 3.25Å; F34-K37 VanDerWaalsContact O-N 3.13Å; K35-K37 PolarHBondContact O-N 3.23Å; K37-Y39 VanDerWaalsContact C-N 3.3Å; K37-Y39 HydrophobicContact CB-CE2 4.23Å; K37-Y39 WeakPolarHBondContact O-CD2 3.35Å; K37-Y39 PolarHBondContact O-N 3.35Å; K37-Y39 VanDerWaalsContact O-N 3.09Å
38	D	83.9	Confident	92.2	Very high	50 Å²	50	66.7 Å²	66.7	27%	0.267	31%	0.306	S	S	.	.			trans	-83.7	78.2	169.8	-174.9	-14.4	0	0	0	109.2	F33 E36 E40 N41 A42	F33-D38 CarbonylContact C-O 3.6Å; F33-D38 HydrophobicContact CB-CB 4.26Å; F33-D38 HydrophobicContact CD1-CB 3.94Å; F33-D38 WeakPolarHBondContact CD1-OD2 3.07Å; F33-D38 PolarHBondContact O-N 2.93Å; E36-D38 PolarHBondContact O-N 3.23Å; D38-E40 VanDerWaalsContact C-N 3.32Å; D38-E40 PolarHBondContact O-N 3.47Å; D38-N41 WeakPolarHBondContact OD1-CB 3.38Å; D38-N41 PolarHBondContact OD1-N 3.41Å; D38-N41 PolarHBondContact OD1-ND2 3.02Å; D38-N41 PolarHBondContact OD2-ND2 3.13Å; D38-A42 WeakPolarHBondContact O-CB 3.33Å; D38-A42 PolarHBondContact O-N 3.13Å
39	Y	86.7	Confident	92.2	Very high	45 Å²	45	62 Å²	62	18%	0.176	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-27.8	-174.8	-54.4	-57.3	0	0	0	112.7	F34 K37 A42 I43 R69 T70	F34-Y39 AromaticContact CD2-CD1 3.74Å; F34-Y39 HydrophobicContact CD2-CD1 3.74Å; F34-Y39 AromaticContact CD2-CE1 3.99Å; F34-Y39 HydrophobicContact CD2-CE1 3.99Å; F34-Y39 HydrophobicContact CE1-CE1 4.45Å; F34-Y39 AromaticContact CE2-CD1 3.79Å; F34-Y39 HydrophobicContact CE2-CD1 3.79Å; F34-Y39 AromaticContact CE2-CE1 3.79Å; F34-Y39 HydrophobicContact CE2-CE1 3.79Å; F34-Y39 HydrophobicContact CG-CD1 4.4Å; F34-Y39 HydrophobicContact CG-CE1 4.4Å; F34-Y39 HydrophobicContact CZ-CD1 4.47Å; F34-Y39 HydrophobicContact CZ-CE1 4.02Å; K37-Y39 VanDerWaalsContact C-N 3.3Å; K37-Y39 HydrophobicContact CB-CE2 4.23Å; K37-Y39 WeakPolarHBondContact O-CD2 3.35Å; K37-Y39 PolarHBondContact O-N 3.35Å; K37-Y39 VanDerWaalsContact O-N 3.09Å; Y39-A42 PolarHBondContact O-N 2.92Å; Y39-I43 WeakPolarHBondContact O-CB 3.35Å; Y39-I43 WeakPolarHBondContact O-CD1 3.29Å; Y39-I43 WeakPolarHBondContact O-CG1 3.49Å; Y39-I43 PolarHBondContact O-N 3.24Å; Y39-R69 HydrophobicContact CD1-CB 3.93Å; Y39-R69 HydrophobicContact CD1-CG 4.27Å; Y39-R69 HydrophobicContact CD2-CB 3.84Å; Y39-R69 HydrophobicContact CE1-CB 3.85Å; Y39-R69 HydrophobicContact CE1-CG 3.83Å; Y39-R69 HydrophobicContact CE2-CB 3.75Å; Y39-R69 HydrophobicContact CE2-CG 4.4Å; Y39-R69 HydrophobicContact CG-CB 3.92Å; Y39-T70 VanDerWaalsContact CB-CG2 3.47Å; Y39-T70 HydrophobicContact CD2-CG2 4.25Å; Y39-T70 HydrophobicContact CG-CG2 4.22Å
40	E	86.3	Confident	92.1	Very high	158 Å²	158	58.2 Å²	58.2	74%	0.738	27%	0.268	S	S	*	.	H	α-helix	trans	-65.1	-50.6	177.6	-66.7	-173.5	175.5	0	0	111	D38 A42 I43 K44	D38-E40 VanDerWaalsContact C-N 3.32Å; D38-E40 PolarHBondContact O-N 3.47Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 2.99Å; E40-I43 PolarHBondContact O-N 2.87Å; E40-K44 PolarHBondContact O-N 3.33Å
41	N	89.1	Confident	92.1	Very high	53 Å²	53	65.9 Å²	65.9	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-34.2	174.7	-77.7	-56.9	0	0	0	111.7	F33 D38 I43 K44 Y45	F33-N41 HydrophobicContact CB-CB 4.21Å; F33-N41 HydrophobicContact CD1-CB 3.72Å; F33-N41 HydrophobicContact CD2-CB 4Å; F33-N41 HydrophobicContact CE1-CB 4Å; F33-N41 HydrophobicContact CE2-CB 4.28Å; F33-N41 HydrophobicContact CG-CB 3.71Å; F33-N41 HydrophobicContact CZ-CB 4.27Å; D38-N41 WeakPolarHBondContact OD1-CB 3.38Å; D38-N41 PolarHBondContact OD1-N 3.41Å; D38-N41 PolarHBondContact OD1-ND2 3.02Å; D38-N41 PolarHBondContact OD2-ND2 3.13Å; N41-I43 PolarHBondContact O-N 2.64Å; N41-K44 PolarHBondContact O-N 3.08Å; N41-Y45 HydrophobicContact CB-CD2 4.43Å; N41-Y45 HydrophobicContact CB-CE2 4.45Å; N41-Y45 WeakPolarHBondContact O-CD2 3.27Å; N41-Y45 PolarHBondContact O-N 3.22Å
42	A	93.1	Very high	92	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59	-47.8	172.7	0	0	0	0	0	111.8	F33 F34 D38 Y39 E40 K44 Y45 Y46	F33-A42 HydrophobicContact CB-CB 4.13Å; F34-A42 HydrophobicContact CB-CB 3.93Å; F34-A42 HydrophobicContact CD2-CB 4.43Å; D38-A42 WeakPolarHBondContact O-CB 3.33Å; D38-A42 PolarHBondContact O-N 3.13Å; Y39-A42 PolarHBondContact O-N 2.92Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 2.99Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 3.32Å; A42-Y45 PolarHBondContact O-N 3.46Å; A42-Y46 HydrophobicContact CB-CD2 4.45Å; A42-Y46 HydrophobicContact CB-CE2 4.13Å; A42-Y46 WeakPolarHBondContact O-CD2 3.37Å; A42-Y46 PolarHBondContact O-N 3.46Å
43	I	95.1	Very high	91.8	Very high	24 Å²	24	62.6 Å²	62.6	12%	0.123	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-45.4	177	-71.9	161	0	0	0	110.6	Y39 E40 N41 Y46 S47 R63 A66 Y67 T70	Y39-I43 WeakPolarHBondContact O-CB 3.35Å; Y39-I43 WeakPolarHBondContact O-CD1 3.29Å; Y39-I43 WeakPolarHBondContact O-CG1 3.49Å; Y39-I43 PolarHBondContact O-N 3.24Å; E40-I43 PolarHBondContact O-N 2.87Å; N41-I43 PolarHBondContact O-N 2.64Å; I43-Y46 PolarHBondContact O-N 2.9Å; I43-S47 WeakPolarHBondContact O-CB 3.41Å; I43-S47 PolarHBondContact O-N 3.29Å; I43-S47 PolarHBondContact O-OG 2.89Å; I43-R63 HydrophobicContact CG2-CG 4.43Å; I43-A66 HydrophobicContact CD1-CB 4.21Å; I43-A66 HydrophobicContact CG1-CB 3.55Å; I43-Y67 HydrophobicContact CD1-CD1 3.66Å; I43-Y67 HydrophobicContact CD1-CE1 3.8Å; I43-Y67 HydrophobicContact CG1-CD1 4.14Å; I43-Y67 HydrophobicContact CG1-CE1 4.07Å; I43-Y67 HydrophobicContact CG2-CE1 3.63Å; I43-T70 HydrophobicContact CD1-CG2 4.16Å
44	K	95.5	Very high	91.9	Very high	104 Å²	104	63.9 Å²	63.9	45%	0.452	30%	0.304	S	S	.	.	H	α-helix	trans	-56.4	-54.8	177.2	178.3	-178.5	172.7	178.9	0	111.4	E40 N41 A42 Y46 S47 E48	E40-K44 PolarHBondContact O-N 3.33Å; N41-K44 PolarHBondContact O-N 3.08Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 3.32Å; K44-Y46 PolarHBondContact O-N 3.18Å; K44-S47 WeakPolarHBondContact O-CA 3.36Å; K44-S47 VanDerWaalsContact O-CB 3.3Å; K44-S47 WeakPolarHBondContact O-CB 3.39Å; K44-S47 PolarHBondContact O-N 2.87Å; K44-E48 WeakPolarHBondContact CE-OE1 3.47Å; K44-E48 PolarHBondContact O-N 3.18Å
45	Y	97.1	Very high	92	Very high	33 Å²	33	66.2 Å²	66.2	13%	0.129	33%	0.326	C	S	.	.	H	α-helix	trans	-69.9	-31.4	-176.9	-75.3	-61.6	0	0	0	113.6	L26 K29 F33 N41 A42 S47 E48 A49	L26-Y45 HydrophobicContact CD2-CD1 3.92Å; L26-Y45 HydrophobicContact CD2-CE1 4.41Å; K29-Y45 HydrophobicContact CD-CD1 3.92Å; K29-Y45 HydrophobicContact CD-CD2 4.24Å; K29-Y45 HydrophobicContact CD-CE1 3.76Å; K29-Y45 HydrophobicContact CD-CE2 4.08Å; K29-Y45 HydrophobicContact CD-CG 4.18Å; K29-Y45 WeakPolarHBondContact CE-OH 3.33Å; K29-Y45 HydrophobicContact CG-CD1 4.48Å; K29-Y45 HydrophobicContact CG-CD2 4.18Å; K29-Y45 HydrophobicContact CG-CE2 4.35Å; K29-Y45 HydrophobicContact CG-CG 4.27Å; K29-Y45 PolarHBondContact NZ-OH 2.89Å; F33-Y45 AromaticContact CD2-CD2 3.56Å; F33-Y45 HydrophobicContact CD2-CD2 3.56Å; F33-Y45 AromaticContact CD2-CE2 3.83Å; F33-Y45 HydrophobicContact CD2-CE2 3.83Å; F33-Y45 AromaticContact CE2-CD2 3.5Å; F33-Y45 HydrophobicContact CE2-CD2 3.5Å; F33-Y45 VanDerWaalsContact CE2-CD2 3.5Å; F33-Y45 AromaticContact CE2-CE2 3.25Å; F33-Y45 HydrophobicContact CE2-CE2 3.25Å; F33-Y45 HydrophobicContact CZ-CE2 4.01Å; N41-Y45 HydrophobicContact CB-CD2 4.43Å; N41-Y45 HydrophobicContact CB-CE2 4.45Å; N41-Y45 WeakPolarHBondContact O-CD2 3.27Å; N41-Y45 PolarHBondContact O-N 3.22Å; A42-Y45 PolarHBondContact O-N 3.46Å; Y45-S47 VanDerWaalsContact C-N 3.26Å; Y45-S47 PolarHBondContact O-N 2.63Å; Y45-E48 VanDerWaalsContact CD1-OE2 3.28Å; Y45-E48 WeakPolarHBondContact CD1-OE2 3.41Å; Y45-E48 WeakPolarHBondContact CE1-OE2 3.32Å; Y45-A49 WeakPolarHBondContact O-CB 3.27Å; Y45-A49 PolarHBondContact O-N 3.02Å
46	Y	97.9	Very high	92.3	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-32.4	168.6	-71.7	-53.4	0	0	0	112.3	K27 A30 N31 A42 I43 K44 A49 L50 N62 R63	K27-Y46 HydrophobicContact CG-CD1 4.48Å; K27-Y46 HydrophobicContact CG-CE1 4.1Å; A30-Y46 HydrophobicContact CB-CD1 3.49Å; A30-Y46 VanDerWaalsContact CB-CD1 3.49Å; A30-Y46 HydrophobicContact CB-CD2 3.88Å; A30-Y46 HydrophobicContact CB-CE1 3.43Å; A30-Y46 VanDerWaalsContact CB-CE1 3.43Å; A30-Y46 HydrophobicContact CB-CE2 3.82Å; A30-Y46 HydrophobicContact CB-CG 3.69Å; N31-Y46 PolarHBondContact OD1-OH 2.94Å; A42-Y46 HydrophobicContact CB-CD2 4.45Å; A42-Y46 HydrophobicContact CB-CE2 4.13Å; A42-Y46 WeakPolarHBondContact O-CD2 3.37Å; A42-Y46 PolarHBondContact O-N 3.46Å; I43-Y46 PolarHBondContact O-N 2.9Å; K44-Y46 PolarHBondContact O-N 3.18Å; Y46-A49 PolarHBondContact O-N 2.83Å; Y46-L50 WeakPolarHBondContact O-CB 3.5Å; Y46-L50 WeakPolarHBondContact O-CG 3.48Å; Y46-L50 PolarHBondContact O-N 2.91Å; Y46-N62 HydrophobicContact CD1-CB 4.17Å; Y46-N62 HydrophobicContact CE1-CB 3.53Å; Y46-N62 HydrophobicContact CE2-CB 3.93Å; Y46-N62 VanDerWaalsContact CZ-CB 3.41Å; Y46-R63 HydrophobicContact CD2-CB 4.05Å; Y46-R63 HydrophobicContact CD2-CG 4.39Å; Y46-R63 HydrophobicContact CG-CB 4.07Å
47	S	96.8	Very high	92.7	Very high	27 Å²	27	54.5 Å²	54.5	19%	0.189	28%	0.275	C	S	.	.	H	α-helix	trans	-69.2	-46	176.4	-55.6	0	0	0	0	111.2	I43 K44 Y45 A49 L50 E51 R63	I43-S47 WeakPolarHBondContact O-CB 3.41Å; I43-S47 PolarHBondContact O-N 3.29Å; I43-S47 PolarHBondContact O-OG 2.89Å; K44-S47 WeakPolarHBondContact O-CA 3.36Å; K44-S47 VanDerWaalsContact O-CB 3.3Å; K44-S47 WeakPolarHBondContact O-CB 3.39Å; K44-S47 PolarHBondContact O-N 2.87Å; Y45-S47 VanDerWaalsContact C-N 3.26Å; Y45-S47 PolarHBondContact O-N 2.63Å; S47-A49 VanDerWaalsContact C-N 3.3Å; S47-A49 PolarHBondContact O-N 2.94Å; S47-L50 WeakPolarHBondContact O-CB 3.16Å; S47-L50 PolarHBondContact O-N 3.19Å; S47-L50 VanDerWaalsContact O-N 3.07Å; S47-E51 WeakPolarHBondContact O-CG 3.5Å; S47-E51 PolarHBondContact O-N 2.93Å; S47-R63 WeakPolarHBondContact OG-CD 3.27Å; S47-R63 PolarHBondContact OG-NH1 3.39Å
48	E	96.1	Very high	93.4	Very high	57 Å²	57	51.1 Å²	51.1	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-58.3	-41.3	172.5	-65.3	174.9	-161.5	0	0	111.3	L26 K44 Y45 L50 E51 L52	L26-E48 HydrophobicContact CD1-CB 3.93Å; L26-E48 HydrophobicContact CD2-CB 4.46Å; K44-E48 WeakPolarHBondContact CE-OE1 3.47Å; K44-E48 PolarHBondContact O-N 3.18Å; Y45-E48 VanDerWaalsContact CD1-OE2 3.28Å; Y45-E48 WeakPolarHBondContact CD1-OE2 3.41Å; Y45-E48 WeakPolarHBondContact CE1-OE2 3.32Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 3.02Å; E48-E51 PolarHBondContact O-N 3.41Å; E48-L52 PolarHBondContact O-N 3.31Å
49	A	95.6	Very high	94	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-36.4	175.2	0	0	0	0	0	113	L26 Y45 Y46 S47 L52 N53 Y59	L26-A49 HydrophobicContact CB-CB 3.85Å; Y45-A49 WeakPolarHBondContact O-CB 3.27Å; Y45-A49 PolarHBondContact O-N 3.02Å; Y46-A49 PolarHBondContact O-N 2.83Å; S47-A49 VanDerWaalsContact C-N 3.3Å; S47-A49 PolarHBondContact O-N 2.94Å; A49-L52 PolarHBondContact O-N 3.4Å; A49-N53 PolarHBondContact O-N 3.1Å; A49-Y59 HydrophobicContact CB-CD2 4.02Å; A49-Y59 HydrophobicContact CB-CE2 4.08Å
50	L	94.9	Very high	94.6	Very high	10 Å²	10	48 Å²	48	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-74.4	-30.1	177.5	-81.1	166.4	0	0	0	113.1	Y46 S47 E48 L52 N53 P54 Y59 Y60	Y46-L50 WeakPolarHBondContact O-CB 3.5Å; Y46-L50 WeakPolarHBondContact O-CG 3.48Å; Y46-L50 PolarHBondContact O-N 2.91Å; S47-L50 WeakPolarHBondContact O-CB 3.16Å; S47-L50 PolarHBondContact O-N 3.19Å; S47-L50 VanDerWaalsContact O-N 3.07Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 3.02Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-N53 CarbonylContact O-C 3.39Å; L50-P54 WeakPolarHBondContact O-CA 3.32Å; L50-P54 WeakPolarHBondContact O-CB 3.48Å; L50-P54 WeakPolarHBondContact O-CD 3.44Å; L50-P54 VanDerWaalsContact O-N 3.15Å; L50-Y59 HydrophobicContact CD2-CD2 4.11Å; L50-Y59 HydrophobicContact CD2-CG 4.42Å; L50-Y59 HydrophobicContact CG-CD2 4.27Å; L50-Y60 HydrophobicContact CD1-CD1 3.76Å; L50-Y60 HydrophobicContact CD1-CE1 3.81Å; L50-Y60 HydrophobicContact CD1-CG 4.31Å; L50-Y60 HydrophobicContact CD2-CD1 3.99Å; L50-Y60 HydrophobicContact CD2-CD2 3.72Å; L50-Y60 HydrophobicContact CD2-CE1 3.76Å; L50-Y60 HydrophobicContact CD2-CE2 3.5Å; L50-Y60 HydrophobicContact CD2-CG 3.96Å; L50-Y60 HydrophobicContact CG-CE1 4.41Å
51	E	94.6	Very high	95.1	Very high	160 Å²	160	40.4 Å²	40.4	75%	0.748	21%	0.212	S	C	*	.	H	α-helix	trans	-62.4	-38	171.3	-72.7	174.7	-172.8	0	0	111.2	S47 E48	S47-E51 WeakPolarHBondContact O-CG 3.5Å; S47-E51 PolarHBondContact O-N 2.93Å; E48-E51 PolarHBondContact O-N 3.41Å
52	L	93.3	Very high	95.4	Very high	59 Å²	59	39 Å²	39	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-78.1	-41.1	176.8	-63.8	-174.7	0	0	0	113.3	V19 E22 A23 L26 E48 A49 L50	V19-L52 HydrophobicContact CG1-CB 4.06Å; V19-L52 HydrophobicContact CG1-CD2 4.48Å; V19-L52 WeakPolarHBondContact CG1-O 3.44Å; E22-L52 HydrophobicContact CB-CD1 3.96Å; E22-L52 HydrophobicContact CG-CD1 3.65Å; A23-L52 HydrophobicContact CB-CB 3.86Å; A23-L52 HydrophobicContact CB-CD1 4.37Å; L26-L52 HydrophobicContact CD1-CD1 3.61Å; L26-L52 HydrophobicContact CD1-CG 4.42Å; E48-L52 PolarHBondContact O-N 3.31Å; A49-L52 PolarHBondContact O-N 3.4Å; L50-L52 VanDerWaalsContact C-N 3.27Å
53	N	92.6	Very high	95.6	Very high	32 Å²	32	40.6 Å²	40.6	17%	0.171	21%	0.211	C	C	.	.			trans	-138.8	90.3	179.1	179.9	5.8	0	0	0	111.7	A23 A49 L50 S55 Y59	A23-N53 HydrophobicContact CB-CB 3.97Å; A49-N53 PolarHBondContact O-N 3.1Å; L50-N53 CarbonylContact O-C 3.39Å; N53-S55 PolarHBondContact O-N 2.93Å; N53-S55 PolarHBondContact OD1-N 3.19Å; N53-S55 VanDerWaalsContact OD1-N 3.16Å; N53-Y59 HydrophobicContact CB-CE2 4.03Å
54	P	93.4	Very high	95.6	Very high	69 Å²	69	39.5 Å²	39.5	45%	0.448	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3.2	-178.6	32.3	-36.6	0	0	0	113.4	L50 Y60	L50-P54 WeakPolarHBondContact O-CA 3.32Å; L50-P54 WeakPolarHBondContact O-CB 3.48Å; L50-P54 WeakPolarHBondContact O-CD 3.44Å; L50-P54 VanDerWaalsContact O-N 3.15Å; P54-Y60 VanDerWaalsContact O-CE2 3.29Å; P54-Y60 WeakPolarHBondContact O-CE2 3.43Å; P54-Y60 PolarHBondContact O-OH 2.71Å
55	S	93.4	Very high	95.5	Very high	89 Å²	89	35.9 Å²	35.9	62%	0.622	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	15.4	-177.2	-59.9	0	0	0	0	113	N53 V86	N53-S55 PolarHBondContact O-N 2.93Å; N53-S55 PolarHBondContact OD1-N 3.19Å; N53-S55 VanDerWaalsContact OD1-N 3.16Å; S55-V86 WeakPolarHBondContact O-CG1 3.43Å
56	N	94.1	Very high	95.2	Very high	26 Å²	26	34.3 Å²	34.3	14%	0.139	18%	0.184	C	C	.	.			trans	-105	110.9	179.7	-166.3	-34.7	0	0	0	111.7	E24 I58 Y59	E24-N56 PolarHBondContact OE1-ND2 3.41Å; N56-I58 PolarHBondContact O-N 3.42Å; N56-I58 VanDerWaalsContact OD1-CB 3.27Å; N56-I58 WeakPolarHBondContact OD1-CB 3.32Å; N56-I58 PolarHBondContact OD1-N 3.33Å; N56-Y59 HydrophobicContact CB-CD1 4Å; N56-Y59 HydrophobicContact CB-CD2 3.73Å; N56-Y59 HydrophobicContact CB-CE1 4Å; N56-Y59 HydrophobicContact CB-CE2 3.78Å; N56-Y59 HydrophobicContact CB-CG 3.85Å; N56-Y59 VanDerWaalsContact CG-CE1 3.47Å; N56-Y59 WeakPolarHBondContact ND2-CE1 3.37Å; N56-Y59 VanDerWaalsContact ND2-CZ 3.34Å; N56-Y59 PolarHBondContact O-N 3.02Å
57	A	95.8	Very high	95	Very high	7 Å²	7	35.5 Å²	35.5	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-27.3	-179.8	0	0	0	0	0	113.5	Y59 S61 A83 V86 D87 Y90	A57-Y59 VanDerWaalsContact C-N 3.34Å; A57-S61 WeakPolarHBondContact O-CB 3.4Å; A57-S61 PolarHBondContact O-N 2.97Å; A57-A83 HydrophobicContact CB-CB 4.4Å; A57-A83 WeakPolarHBondContact CB-O 3.38Å; A57-A83 WeakPolarHBondContact O-CB 3.19Å; A57-V86 HydrophobicContact CB-CB 4.15Å; A57-V86 HydrophobicContact CB-CG1 3.92Å; A57-D87 HydrophobicContact CB-CB 3.75Å; A57-Y90 HydrophobicContact CB-CD1 4.43Å; A57-Y90 HydrophobicContact CB-CG 4.4Å
58	I	96.4	Very high	94.5	Very high	67 Å²	67	35.2 Å²	35.2	34%	0.344	19%	0.185	S	C	.	.	H	α-helix	trans	-66.2	-40.5	-179.9	-60.3	172.6	0	0	0	110.1	N56 S61 N62 Y90	N56-I58 PolarHBondContact O-N 3.42Å; N56-I58 VanDerWaalsContact OD1-CB 3.27Å; N56-I58 WeakPolarHBondContact OD1-CB 3.32Å; N56-I58 PolarHBondContact OD1-N 3.33Å; I58-S61 PolarHBondContact O-N 2.9Å; I58-N62 WeakPolarHBondContact O-CB 3.37Å; I58-N62 PolarHBondContact O-N 2.93Å; I58-Y90 HydrophobicContact CG1-CE2 4.04Å
59	Y	96.9	Very high	93.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-49.6	-175.7	-58.2	-3.7	0	0	0	110.5	A23 E24 K27 A49 L50 N53 N56 A57 S61 N62 R63	A23-Y59 HydrophobicContact CB-CE2 3.99Å; E24-Y59 VanDerWaalsContact CD-OH 3.26Å; E24-Y59 PolarHBondContact OE1-OH 2.82Å; K27-Y59 HydrophobicContact CB-CD1 4.17Å; K27-Y59 HydrophobicContact CB-CE1 3.9Å; K27-Y59 HydrophobicContact CD-CD1 4.07Å; K27-Y59 HydrophobicContact CD-CE1 3.75Å; K27-Y59 HydrophobicContact CG-CD1 3.83Å; K27-Y59 HydrophobicContact CG-CE1 3.84Å; A49-Y59 HydrophobicContact CB-CD2 4.02Å; A49-Y59 HydrophobicContact CB-CE2 4.08Å; L50-Y59 HydrophobicContact CD2-CD2 4.11Å; L50-Y59 HydrophobicContact CD2-CG 4.42Å; L50-Y59 HydrophobicContact CG-CD2 4.27Å; N53-Y59 HydrophobicContact CB-CE2 4.03Å; N56-Y59 HydrophobicContact CB-CD1 4Å; N56-Y59 HydrophobicContact CB-CD2 3.73Å; N56-Y59 HydrophobicContact CB-CE1 4Å; N56-Y59 HydrophobicContact CB-CE2 3.78Å; N56-Y59 HydrophobicContact CB-CG 3.85Å; N56-Y59 VanDerWaalsContact CG-CE1 3.47Å; N56-Y59 WeakPolarHBondContact ND2-CE1 3.37Å; N56-Y59 VanDerWaalsContact ND2-CZ 3.34Å; N56-Y59 PolarHBondContact O-N 3.02Å; A57-Y59 VanDerWaalsContact C-N 3.34Å; Y59-S61 VanDerWaalsContact C-N 3.34Å; Y59-S61 PolarHBondContact O-N 2.78Å; Y59-N62 PolarHBondContact O-N 3.05Å; Y59-R63 WeakPolarHBondContact O-CB 3.5Å; Y59-R63 PolarHBondContact O-N 3.49Å
60	Y	97.8	Very high	93.2	Very high	28 Å²	28	38.3 Å²	38.3	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-56.6	-46.3	172.9	-74.4	-65.9	0	0	0	111.9	L50 P54 N62 R63 S64 D79 K82 V86	L50-Y60 HydrophobicContact CD1-CD1 3.76Å; L50-Y60 HydrophobicContact CD1-CE1 3.81Å; L50-Y60 HydrophobicContact CD1-CG 4.31Å; L50-Y60 HydrophobicContact CD2-CD1 3.99Å; L50-Y60 HydrophobicContact CD2-CD2 3.72Å; L50-Y60 HydrophobicContact CD2-CE1 3.76Å; L50-Y60 HydrophobicContact CD2-CE2 3.5Å; L50-Y60 HydrophobicContact CD2-CG 3.96Å; L50-Y60 HydrophobicContact CG-CE1 4.41Å; P54-Y60 VanDerWaalsContact O-CE2 3.29Å; P54-Y60 WeakPolarHBondContact O-CE2 3.43Å; P54-Y60 PolarHBondContact O-OH 2.71Å; Y60-N62 PolarHBondContact O-N 2.9Å; Y60-R63 PolarHBondContact O-N 3.24Å; Y60-S64 WeakPolarHBondContact O-CB 3.49Å; Y60-S64 PolarHBondContact O-N 2.87Å; Y60-D79 HydrophobicContact CD1-CB 4.42Å; Y60-D79 WeakPolarHBondContact O-CB 3.09Å; Y60-K82 HydrophobicContact CD1-CB 4.01Å; Y60-K82 HydrophobicContact CD1-CG 3.96Å; Y60-K82 HydrophobicContact CD2-CB 4.44Å; Y60-K82 HydrophobicContact CD2-CG 3.99Å; Y60-K82 HydrophobicContact CE1-CB 4.13Å; Y60-K82 HydrophobicContact CE1-CG 3.62Å; Y60-K82 HydrophobicContact CE2-CG 3.62Å; Y60-K82 HydrophobicContact CG-CB 4.19Å; Y60-K82 HydrophobicContact CG-CG 4.15Å; Y60-K82 VanDerWaalsContact CZ-CG 3.44Å; Y60-V86 HydrophobicContact CD2-CG2 4.44Å; Y60-V86 HydrophobicContact CE2-CG2 4.24Å
61	S	96.6	Very high	92.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.6	-34.1	-178	-177.3	0	0	0	0	114	A57 I58 Y59 L65 Y90	A57-S61 WeakPolarHBondContact O-CB 3.4Å; A57-S61 PolarHBondContact O-N 2.97Å; I58-S61 PolarHBondContact O-N 2.9Å; Y59-S61 VanDerWaalsContact C-N 3.34Å; Y59-S61 PolarHBondContact O-N 2.78Å; S61-L65 PolarHBondContact O-N 3.14Å; S61-Y90 WeakPolarHBondContact OG-CE1 3.4Å
62	N	95.9	Very high	92.3	Very high	22 Å²	22	33.5 Å²	33.5	12%	0.118	18%	0.179	C	C	.	.	H	α-helix	trans	-73.2	-39.6	176	-73.1	1.3	0	0	0	111.2	N31 Y46 I58 Y59 Y60 L65 A66	N31-N62 PolarHBondContact OD1-ND2 3.45Å; Y46-N62 HydrophobicContact CD1-CB 4.17Å; Y46-N62 HydrophobicContact CE1-CB 3.53Å; Y46-N62 HydrophobicContact CE2-CB 3.93Å; Y46-N62 VanDerWaalsContact CZ-CB 3.41Å; I58-N62 WeakPolarHBondContact O-CB 3.37Å; I58-N62 PolarHBondContact O-N 2.93Å; Y59-N62 PolarHBondContact O-N 3.05Å; Y60-N62 PolarHBondContact O-N 2.9Å; N62-L65 WeakPolarHBondContact O-CB 3.5Å; N62-L65 PolarHBondContact O-N 3.48Å; N62-A66 PolarHBondContact O-N 3.37Å
63	R	97.1	Very high	92.2	Very high	35 Å²	35	31.8 Å²	31.8	13%	0.132	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-39.4	173.3	-163	174.1	65.1	175.4	0.6	111.9	I43 Y46 S47 Y59 Y60 L65 A66 Y67 D79	I43-R63 HydrophobicContact CG2-CG 4.43Å; Y46-R63 HydrophobicContact CD2-CB 4.05Å; Y46-R63 HydrophobicContact CD2-CG 4.39Å; Y46-R63 HydrophobicContact CG-CB 4.07Å; S47-R63 WeakPolarHBondContact OG-CD 3.27Å; S47-R63 PolarHBondContact OG-NH1 3.39Å; Y59-R63 WeakPolarHBondContact O-CB 3.5Å; Y59-R63 PolarHBondContact O-N 3.49Å; Y60-R63 PolarHBondContact O-N 3.24Å; R63-L65 VanDerWaalsContact C-N 3.28Å; R63-L65 PolarHBondContact O-N 2.9Å; R63-A66 WeakPolarHBondContact O-CA 3.29Å; R63-A66 WeakPolarHBondContact O-CB 3.27Å; R63-A66 PolarHBondContact O-N 3.12Å; R63-Y67 HydrophobicContact CG-CD2 4.12Å; R63-Y67 HydrophobicContact CG-CE2 3.67Å; R63-Y67 VanDerWaalsContact O-CD2 3.32Å; R63-Y67 WeakPolarHBondContact O-CD2 3.37Å; R63-Y67 PolarHBondContact O-N 3.23Å; R63-D79 WeakPolarHBondContact CB-OD2 3.21Å; R63-D79 IonicContact CZ-OD1 2.69Å; R63-D79 IonicContact CZ-OD2 2.81Å; R63-D79 IonicContact NE-OD1 3.44Å; R63-D79 IonicContact NE-OD2 3.75Å; R63-D79 PolarHBondContact NE-OD2 2.98Å; R63-D79 IonicContact NH2-OD1 3.97Å; R63-D79 PolarHBondContact NH2-OD1 3.02Å; R63-D79 IonicContact NH2-OD2 2.77Å; R63-D79 PolarHBondContact NH2-OD2 3.29Å
64	S	96.1	Very high	92.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.6	-42.1	169.3	173.7	0	0	0	0	112.2	Y60 Y67 L68 A76	Y60-S64 WeakPolarHBondContact O-CB 3.49Å; Y60-S64 PolarHBondContact O-N 2.87Å; S64-Y67 PolarHBondContact O-N 2.65Å; S64-L68 WeakPolarHBondContact O-CG 3.41Å; S64-L68 PolarHBondContact O-N 3.1Å; S64-A76 WeakPolarHBondContact CB-O 3.48Å; S64-A76 WeakPolarHBondContact O-CB 3.13Å; S64-A76 PolarHBondContact OG-O 2.98Å
65	L	93.1	Very high	92.1	Very high	29 Å²	29	30.8 Å²	30.8	15%	0.152	16%	0.156	C	C	.	.	H	α-helix	trans	-65.5	-41.6	174.5	-179.1	61.9	0	0	0	112	F34 S61 N62 R63 Y67 L68 R69	F34-L65 HydrophobicContact CE1-CD2 3.99Å; F34-L65 HydrophobicContact CE2-CB 4.46Å; F34-L65 HydrophobicContact CE2-CD2 4.05Å; F34-L65 HydrophobicContact CE2-CG 3.86Å; F34-L65 HydrophobicContact CZ-CD2 3.44Å; F34-L65 VanDerWaalsContact CZ-CD2 3.44Å; F34-L65 HydrophobicContact CZ-CG 3.58Å; S61-L65 PolarHBondContact O-N 3.14Å; N62-L65 WeakPolarHBondContact O-CB 3.5Å; N62-L65 PolarHBondContact O-N 3.48Å; R63-L65 VanDerWaalsContact C-N 3.28Å; R63-L65 PolarHBondContact O-N 2.9Å; L65-Y67 VanDerWaalsContact C-N 3.32Å; L65-L68 HydrophobicContact CD1-CD1 4.4Å; L65-L68 WeakPolarHBondContact O-CB 3.38Å; L65-L68 PolarHBondContact O-N 3.08Å; L65-R69 WeakPolarHBondContact O-CG 3.41Å; L65-R69 PolarHBondContact O-N 3.23Å
66	A	91.7	Very high	92.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-42.7	175.1	0	0	0	0	0	111.3	F34 I43 N62 R63 L68 R69 T70	F34-A66 HydrophobicContact CD2-CB 4Å; F34-A66 HydrophobicContact CE2-CB 4.09Å; I43-A66 HydrophobicContact CD1-CB 4.21Å; I43-A66 HydrophobicContact CG1-CB 3.55Å; N62-A66 PolarHBondContact O-N 3.37Å; R63-A66 WeakPolarHBondContact O-CA 3.29Å; R63-A66 WeakPolarHBondContact O-CB 3.27Å; R63-A66 PolarHBondContact O-N 3.12Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 3.12Å; A66-R69 WeakPolarHBondContact O-CB 3.48Å; A66-R69 PolarHBondContact O-N 3.49Å; A66-R69 VanDerWaalsContact O-N 3.07Å; A66-T70 PolarHBondContact O-N 3.48Å; A66-T70 PolarHBondContact O-OG1 3.5Å
67	Y	93	Very high	92.2	Very high	29 Å²	29	26.8 Å²	26.8	11%	0.114	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-36.6	171.6	-73.1	-46.5	0	0	0	113.6	I43 R63 S64 L65 R69 T70 E71 C72 Y75 D79	I43-Y67 HydrophobicContact CD1-CD1 3.66Å; I43-Y67 HydrophobicContact CD1-CE1 3.8Å; I43-Y67 HydrophobicContact CG1-CD1 4.14Å; I43-Y67 HydrophobicContact CG1-CE1 4.07Å; I43-Y67 HydrophobicContact CG2-CE1 3.63Å; R63-Y67 HydrophobicContact CG-CD2 4.12Å; R63-Y67 HydrophobicContact CG-CE2 3.67Å; R63-Y67 VanDerWaalsContact O-CD2 3.32Å; R63-Y67 WeakPolarHBondContact O-CD2 3.37Å; R63-Y67 PolarHBondContact O-N 3.23Å; S64-Y67 PolarHBondContact O-N 2.65Å; L65-Y67 VanDerWaalsContact C-N 3.32Å; Y67-R69 VanDerWaalsContact C-N 3.29Å; Y67-R69 PolarHBondContact O-N 3.22Å; Y67-T70 WeakPolarHBondContact CA-OG1 3.49Å; Y67-T70 CarbonylContact O-C 3.48Å; Y67-T70 PolarHBondContact O-N 3Å; Y67-T70 PolarHBondContact O-OG1 3.29Å; Y67-E71 PolarHBondContact O-N 2.98Å; Y67-C72 HydrophobicContact CD1-CB 3.6Å; Y67-C72 HydrophobicContact CE1-CB 4.5Å; Y67-C72 HydrophobicContact CG-CB 4.07Å; Y67-C72 PolarHBondContact O-N 2.93Å; Y67-Y75 HydrophobicContact CD1-CD2 4.12Å; Y67-Y75 AromaticContact CE1-CD2 3.69Å; Y67-Y75 HydrophobicContact CE1-CD2 3.69Å; Y67-Y75 HydrophobicContact CE1-CG 4.36Å; Y67-Y75 HydrophobicContact CE2-CG 4.48Å; Y67-Y75 AromaticContact CZ-CD2 3.92Å; Y67-D79 WeakPolarHBondContact CE2-OD2 3.22Å
68	L	86.4	Confident	92.2	Very high	20 Å²	20	29.1 Å²	29.1	11%	0.105	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-37.1	172.2	-75.1	171.9	0	0	0	111.9	S64 L65 A66 T70 E71 Y73 A76 T99 S100	S64-L68 WeakPolarHBondContact O-CG 3.41Å; S64-L68 PolarHBondContact O-N 3.1Å; L65-L68 HydrophobicContact CD1-CD1 4.4Å; L65-L68 WeakPolarHBondContact O-CB 3.38Å; L65-L68 PolarHBondContact O-N 3.08Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 3.12Å; L68-T70 VanDerWaalsContact C-N 3.32Å; L68-E71 PolarHBondContact O-N 3.26Å; L68-Y73 HydrophobicContact CD2-CD1 4Å; L68-A76 HydrophobicContact CD2-CB 3.86Å; L68-A76 HydrophobicContact CG-CB 3.79Å; L68-T99 HydrophobicContact CD1-CG2 3.92Å; L68-T99 HydrophobicContact CD2-CG2 4.15Å; L68-S100 WeakPolarHBondContact CD2-OG 3.5Å
69	R	81.8	Confident	92.3	Very high	76 Å²	76	26.5 Å²	26.5	29%	0.287	13%	0.134	S	C	.	.	H	α-helix	trans	-73.5	-24.6	178.9	-64.2	-57.8	-173.5	160	10.7	113	F34 Y39 L65 A66 Y67 G492 M494	F34-R69 HydrophobicContact CE2-CG 4.11Å; F34-R69 HydrophobicContact CZ-CG 4.05Å; Y39-R69 HydrophobicContact CD1-CB 3.93Å; Y39-R69 HydrophobicContact CD1-CG 4.27Å; Y39-R69 HydrophobicContact CD2-CB 3.84Å; Y39-R69 HydrophobicContact CE1-CB 3.85Å; Y39-R69 HydrophobicContact CE1-CG 3.83Å; Y39-R69 HydrophobicContact CE2-CB 3.75Å; Y39-R69 HydrophobicContact CE2-CG 4.4Å; Y39-R69 HydrophobicContact CG-CB 3.92Å; L65-R69 WeakPolarHBondContact O-CG 3.41Å; L65-R69 PolarHBondContact O-N 3.23Å; A66-R69 WeakPolarHBondContact O-CB 3.48Å; A66-R69 PolarHBondContact O-N 3.49Å; A66-R69 VanDerWaalsContact O-N 3.07Å; Y67-R69 VanDerWaalsContact C-N 3.29Å; Y67-R69 PolarHBondContact O-N 3.22Å; R69-G492 PolarHBondContact NH1-O 2.87Å; R69-M494 PolarHBondContact NH1-OXT 3.04Å
70	T	81.8	Confident	92.3	Very high	47 Å²	47	26.5 Å²	26.5	29%	0.288	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	15.8	173.7	59.6	0	0	0	0	113	Y39 I43 A66 Y67 L68 C72	Y39-T70 VanDerWaalsContact CB-CG2 3.47Å; Y39-T70 HydrophobicContact CD2-CG2 4.25Å; Y39-T70 HydrophobicContact CG-CG2 4.22Å; I43-T70 HydrophobicContact CD1-CG2 4.16Å; A66-T70 PolarHBondContact O-N 3.48Å; A66-T70 PolarHBondContact O-OG1 3.5Å; Y67-T70 WeakPolarHBondContact CA-OG1 3.49Å; Y67-T70 CarbonylContact O-C 3.48Å; Y67-T70 PolarHBondContact O-N 3Å; Y67-T70 PolarHBondContact O-OG1 3.29Å; L68-T70 VanDerWaalsContact C-N 3.32Å; T70-C72 PolarHBondContact O-N 3.42Å; T70-C72 PolarHBondContact O-SG 2.9Å
71	E	83.5	Confident	92.2	Very high	51 Å²	51	27.2 Å²	27.2	24%	0.238	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	19.6	176.5	-50.2	-172.9	-164.5	0	0	115.7	Y67 L68 Y73 R270 M493	Y67-E71 PolarHBondContact O-N 2.98Å; L68-E71 PolarHBondContact O-N 3.26Å; E71-Y73 HydrophobicContact CB-CE1 4.18Å; E71-Y73 HydrophobicContact CB-CE2 3.89Å; E71-Y73 HydrophobicContact CG-CE1 4.48Å; E71-Y73 WeakPolarHBondContact CG-OH 3.48Å; E71-Y73 WeakPolarHBondContact O-CD2 3.44Å; E71-Y73 PolarHBondContact O-N 3.36Å; E71-R270 VanDerWaalsContact CD-NH2 3.32Å; E71-R270 IonicContact OE1-CZ 3.15Å; E71-R270 IonicContact OE1-NH1 3.58Å; E71-R270 PolarHBondContact OE1-NH1 2.89Å; E71-R270 IonicContact OE1-NH2 3.34Å; E71-R270 PolarHBondContact OE1-NH2 3.29Å; E71-R270 IonicContact OE2-CZ 3.83Å; E71-R270 IonicContact OE2-NH1 3.26Å; E71-R270 IonicContact OE2-NH2 3.3Å; E71-R270 PolarHBondContact OE2-NH2 3.24Å; E71-M493 WeakPolarHBondContact OE1-CE 3.38Å
72	C	87.7	Confident	92.2	Very high	17 Å²	17	31.1 Å²	31.1	12%	0.115	16%	0.158	C	C	.	.			trans	-80.2	60.4	172	-63.4	0	0	0	0	109.6	Y67 T70 G74 Y75 A76 K394	Y67-C72 HydrophobicContact CD1-CB 3.6Å; Y67-C72 HydrophobicContact CE1-CB 4.5Å; Y67-C72 HydrophobicContact CG-CB 4.07Å; Y67-C72 PolarHBondContact O-N 2.93Å; T70-C72 PolarHBondContact O-N 3.42Å; T70-C72 PolarHBondContact O-SG 2.9Å; C72-G74 PolarHBondContact O-N 2.89Å; C72-Y75 HydrophobicContact CB-CD2 4.23Å; C72-Y75 PolarHBondContact O-N 2.86Å; C72-Y75 VanDerWaalsContact O-N 3.14Å; C72-A76 WeakPolarHBondContact O-CB 3.49Å; C72-A76 PolarHBondContact O-N 3.42Å; C72-K394 CarbonylContact C-O 3.48Å; C72-K394 WeakPolarHBondContact CA-O 3.47Å; C72-K394 HydrophobicContact CB-CB 4.26Å
73	Y	90.5	Very high	92.3	Very high	23 Å²	23	30 Å²	30	9%	0.09	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-30.1	-170.5	-53.3	-56.6	0	0	0	113.7	L68 E71 L77 A103 Y308 K394	L68-Y73 HydrophobicContact CD2-CD1 4Å; E71-Y73 HydrophobicContact CB-CE1 4.18Å; E71-Y73 HydrophobicContact CB-CE2 3.89Å; E71-Y73 HydrophobicContact CG-CE1 4.48Å; E71-Y73 WeakPolarHBondContact CG-OH 3.48Å; E71-Y73 WeakPolarHBondContact O-CD2 3.44Å; E71-Y73 PolarHBondContact O-N 3.36Å; Y73-L77 VanDerWaalsContact O-CB 3.29Å; Y73-L77 WeakPolarHBondContact O-CB 3.45Å; Y73-L77 PolarHBondContact O-N 3.15Å; Y73-A103 HydrophobicContact CD1-CB 3.38Å; Y73-A103 HydrophobicContact CD2-CB 4.05Å; Y73-A103 HydrophobicContact CE1-CB 3.49Å; Y73-A103 VanDerWaalsContact CE1-CB 3.49Å; Y73-A103 HydrophobicContact CE2-CB 4.15Å; Y73-A103 HydrophobicContact CG-CB 3.67Å; Y73-Y308 PolarHBondContact OH-OH 3.32Å; Y73-K394 PolarHBondContact N-O 3.01Å
74	G	91.2	Very high	92.3	Very high	9 Å²	9	28.9 Å²	28.9	9%	0.093	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-50	174.8	0	0	0	0	0	112.1	C72 A76 L77 A78 K394	C72-G74 PolarHBondContact O-N 2.89Å; G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 2.9Å; G74-L77 PolarHBondContact O-N 3.46Å; G74-A78 PolarHBondContact O-N 3.15Å; G74-K394 WeakPolarHBondContact CA-O 3.36Å; G74-K394 PolarHBondContact N-O 3.37Å
75	Y	93.6	Very high	92.3	Very high	72 Å²	72	34.5 Å²	34.5	28%	0.282	18%	0.175	S	C	.	.	H	α-helix	trans	-65.7	-38	175.3	-64.2	-16.6	0	0	0	111.7	Y67 C72 L77 A78 D79 K394 Q400	Y67-Y75 HydrophobicContact CD1-CD2 4.12Å; Y67-Y75 AromaticContact CE1-CD2 3.69Å; Y67-Y75 HydrophobicContact CE1-CD2 3.69Å; Y67-Y75 HydrophobicContact CE1-CG 4.36Å; Y67-Y75 HydrophobicContact CE2-CG 4.48Å; Y67-Y75 AromaticContact CZ-CD2 3.92Å; C72-Y75 HydrophobicContact CB-CD2 4.23Å; C72-Y75 PolarHBondContact O-N 2.86Å; C72-Y75 VanDerWaalsContact O-N 3.14Å; Y75-L77 VanDerWaalsContact C-N 3.34Å; Y75-L77 PolarHBondContact O-N 3.34Å; Y75-A78 PolarHBondContact O-N 2.95Å; Y75-D79 WeakPolarHBondContact O-CB 3.22Å; Y75-D79 PolarHBondContact O-N 2.86Å; Y75-K394 HydrophobicContact CD1-CB 4.47Å; Y75-K394 HydrophobicContact CD2-CB 3.73Å; Y75-K394 HydrophobicContact CE1-CB 4.17Å; Y75-K394 HydrophobicContact CE2-CB 3.39Å; Y75-K394 HydrophobicContact CG-CB 4.26Å; Y75-K394 PolarHBondContact N-O 2.88Å; Y75-Q400 PolarHBondContact OH-OE1 3.36Å; Y75-Q400 VanDerWaalsContact OH-OE1 3.11Å
76	A	95.1	Very high	92.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-44.3	173.3	0	0	0	0	0	112.4	S64 L68 C72 G74 A80 S100	S64-A76 WeakPolarHBondContact CB-O 3.48Å; S64-A76 WeakPolarHBondContact O-CB 3.13Å; S64-A76 PolarHBondContact OG-O 2.98Å; L68-A76 HydrophobicContact CD2-CB 3.86Å; L68-A76 HydrophobicContact CG-CB 3.79Å; C72-A76 WeakPolarHBondContact O-CB 3.49Å; C72-A76 PolarHBondContact O-N 3.42Å; G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 2.9Å; A76-A80 WeakPolarHBondContact O-CB 3.33Å; A76-A80 PolarHBondContact O-N 3.43Å; A76-S100 VanDerWaalsContact CB-OG 3.31Å; A76-S100 WeakPolarHBondContact CB-OG 3.44Å
77	L	95.3	Very high	92.7	Very high	30 Å²	30	38.8 Å²	38.8	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-44.5	176.7	174.1	58.5	0	0	0	111.3	Y73 G74 Y75 T81 R97 S100 L104	Y73-L77 VanDerWaalsContact O-CB 3.29Å; Y73-L77 WeakPolarHBondContact O-CB 3.45Å; Y73-L77 PolarHBondContact O-N 3.15Å; G74-L77 PolarHBondContact O-N 3.46Å; Y75-L77 VanDerWaalsContact C-N 3.34Å; Y75-L77 PolarHBondContact O-N 3.34Å; L77-T81 WeakPolarHBondContact O-CB 3.41Å; L77-T81 PolarHBondContact O-N 3.45Å; L77-T81 PolarHBondContact O-OG1 3.05Å; L77-R97 HydrophobicContact CD1-CG 3.55Å; L77-S100 PolarHBondContact N-OG 3.35Å; L77-L104 HydrophobicContact CB-CD1 4.17Å; L77-L104 HydrophobicContact CD2-CD1 3.53Å; L77-L104 HydrophobicContact CG-CD1 4.43Å
78	A	95.2	Very high	92.7	Very high	57 Å²	57	44.8 Å²	44.8	47%	0.471	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-51.2	179	0	0	0	0	0	111.4	G74 Y75 A80 T81 K82	G74-A78 PolarHBondContact O-N 3.15Å; Y75-A78 PolarHBondContact O-N 2.95Å; A78-A80 PolarHBondContact O-N 3.25Å; A78-T81 WeakPolarHBondContact O-CB 3.47Å; A78-T81 PolarHBondContact O-N 2.85Å; A78-K82 PolarHBondContact O-N 3.26Å
79	D	97.2	Very high	93	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.064	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-41	178.2	-89.4	2	0	0	0	112	Y60 R63 Y67 Y75 T81 K82 A83	Y60-D79 HydrophobicContact CD1-CB 4.42Å; Y60-D79 WeakPolarHBondContact O-CB 3.09Å; R63-D79 WeakPolarHBondContact CB-OD2 3.21Å; R63-D79 IonicContact CZ-OD1 2.69Å; R63-D79 IonicContact CZ-OD2 2.81Å; R63-D79 IonicContact NE-OD1 3.44Å; R63-D79 IonicContact NE-OD2 3.75Å; R63-D79 PolarHBondContact NE-OD2 2.98Å; R63-D79 IonicContact NH2-OD1 3.97Å; R63-D79 PolarHBondContact NH2-OD1 3.02Å; R63-D79 IonicContact NH2-OD2 2.77Å; R63-D79 PolarHBondContact NH2-OD2 3.29Å; Y67-D79 WeakPolarHBondContact CE2-OD2 3.22Å; Y75-D79 WeakPolarHBondContact O-CB 3.22Å; Y75-D79 PolarHBondContact O-N 2.86Å; D79-T81 VanDerWaalsContact C-N 3.28Å; D79-T81 PolarHBondContact O-N 3.35Å; D79-K82 PolarHBondContact O-N 3.33Å; D79-A83 WeakPolarHBondContact O-CB 3.38Å; D79-A83 PolarHBondContact O-N 3.01Å
80	A	97	Very high	93.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-35.9	176.4	0	0	0	0	0	112	A76 A78 L84 R96 R97	A76-A80 WeakPolarHBondContact O-CB 3.33Å; A76-A80 PolarHBondContact O-N 3.43Å; A78-A80 PolarHBondContact O-N 3.25Å; A80-L84 WeakPolarHBondContact O-CG 3.25Å; A80-L84 PolarHBondContact O-N 2.9Å; A80-R96 HydrophobicContact CB-CB 3.83Å; A80-R97 HydrophobicContact CB-CB 3.7Å; A80-R97 HydrophobicContact CB-CG 4.2Å
81	T	97.1	Very high	94.1	Very high	42 Å²	42	47.4 Å²	47.4	26%	0.258	24%	0.242	S	C	.	.	H	α-helix	trans	-66.4	-44.9	173.3	-58.7	0	0	0	0	110.5	L77 A78 D79 A83 L84 E85 R97	L77-T81 WeakPolarHBondContact O-CB 3.41Å; L77-T81 PolarHBondContact O-N 3.45Å; L77-T81 PolarHBondContact O-OG1 3.05Å; A78-T81 WeakPolarHBondContact O-CB 3.47Å; A78-T81 PolarHBondContact O-N 2.85Å; D79-T81 VanDerWaalsContact C-N 3.28Å; D79-T81 PolarHBondContact O-N 3.35Å; T81-A83 VanDerWaalsContact C-N 3.35Å; T81-A83 PolarHBondContact O-N 3.44Å; T81-L84 PolarHBondContact O-N 3.38Å; T81-L84 VanDerWaalsContact O-N 3.07Å; T81-E85 PolarHBondContact O-N 3.12Å; T81-R97 VanDerWaalsContact OG1-CD 3.29Å; T81-R97 WeakPolarHBondContact OG1-CD 3.34Å
82	K	97.1	Very high	94.5	Very high	82 Å²	82	49.6 Å²	49.6	36%	0.357	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-39.5	178.6	-166.4	58	177	-179.6	0	112.6	Y60 A78 D79 L84 E85 V86	Y60-K82 HydrophobicContact CD1-CB 4.01Å; Y60-K82 HydrophobicContact CD1-CG 3.96Å; Y60-K82 HydrophobicContact CD2-CB 4.44Å; Y60-K82 HydrophobicContact CD2-CG 3.99Å; Y60-K82 HydrophobicContact CE1-CB 4.13Å; Y60-K82 HydrophobicContact CE1-CG 3.62Å; Y60-K82 HydrophobicContact CE2-CG 3.62Å; Y60-K82 HydrophobicContact CG-CB 4.19Å; Y60-K82 HydrophobicContact CG-CG 4.15Å; Y60-K82 VanDerWaalsContact CZ-CG 3.44Å; A78-K82 PolarHBondContact O-N 3.26Å; D79-K82 PolarHBondContact O-N 3.33Å; K82-L84 PolarHBondContact O-N 2.88Å; K82-E85 HydrophobicContact CD-CB 4.41Å; K82-E85 WeakPolarHBondContact CD-OE2 3.4Å; K82-E85 IonicContact NZ-OE2 2.65Å; K82-E85 PolarHBondContact NZ-OE2 3.21Å; K82-E85 WeakPolarHBondContact O-CB 3.39Å; K82-E85 PolarHBondContact O-N 3.23Å; K82-E85 VanDerWaalsContact O-N 3.15Å; K82-V86 WeakPolarHBondContact O-CG2 3.41Å; K82-V86 PolarHBondContact O-N 3.43Å
83	A	97.3	Very high	94.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.8	-38.7	173	0	0	0	0	0	112.1	A57 D79 T81 D87	A57-A83 HydrophobicContact CB-CB 4.4Å; A57-A83 WeakPolarHBondContact CB-O 3.38Å; A57-A83 WeakPolarHBondContact O-CB 3.19Å; D79-A83 WeakPolarHBondContact O-CB 3.38Å; D79-A83 PolarHBondContact O-N 3.01Å; T81-A83 VanDerWaalsContact C-N 3.35Å; T81-A83 PolarHBondContact O-N 3.44Å; A83-D87 PolarHBondContact O-N 2.69Å
84	L	96.6	Very high	95	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.052	25%	0.25	C	C	.	.	H	α-helix	trans	-80.8	-24.2	179.1	-66.4	174.9	0	0	0	113.9	A80 T81 K82 V86 D87 K88 Y90 Y94	A80-L84 WeakPolarHBondContact O-CG 3.25Å; A80-L84 PolarHBondContact O-N 2.9Å; T81-L84 PolarHBondContact O-N 3.38Å; T81-L84 VanDerWaalsContact O-N 3.07Å; K82-L84 PolarHBondContact O-N 2.88Å; L84-V86 VanDerWaalsContact C-N 3.35Å; L84-D87 CarbonylContact O-C 3.52Å; L84-K88 WeakPolarHBondContact O-CA 3.44Å; L84-K88 VanDerWaalsContact O-CG 3.26Å; L84-K88 WeakPolarHBondContact O-CG 3.46Å; L84-K88 PolarHBondContact O-N 2.84Å; L84-Y90 WeakPolarHBondContact CD2-O 3.31Å; L84-Y94 HydrophobicContact CD1-CD1 3.91Å; L84-Y94 HydrophobicContact CD1-CD2 4.32Å; L84-Y94 HydrophobicContact CD1-CE1 4.04Å; L84-Y94 HydrophobicContact CD1-CE2 4.45Å; L84-Y94 HydrophobicContact CD1-CG 4.04Å; L84-Y94 HydrophobicContact CD2-CD2 3.48Å; L84-Y94 VanDerWaalsContact CD2-CD2 3.48Å; L84-Y94 HydrophobicContact CD2-CE1 4.47Å; L84-Y94 HydrophobicContact CD2-CE2 3.44Å; L84-Y94 VanDerWaalsContact CD2-CE2 3.44Å; L84-Y94 HydrophobicContact CD2-CG 4.04Å
85	E	96.8	Very high	95	Very high	118 Å²	118	51 Å²	51	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-67.2	-40.1	167.7	-70.8	175.4	-170.2	0	0	111.1	T81 K82	T81-E85 PolarHBondContact O-N 3.12Å; K82-E85 HydrophobicContact CD-CB 4.41Å; K82-E85 WeakPolarHBondContact CD-OE2 3.4Å; K82-E85 IonicContact NZ-OE2 2.65Å; K82-E85 PolarHBondContact NZ-OE2 3.21Å; K82-E85 WeakPolarHBondContact O-CB 3.39Å; K82-E85 PolarHBondContact O-N 3.23Å; K82-E85 VanDerWaalsContact O-N 3.15Å
86	V	96.1	Very high	94.9	Very high	57 Å²	57	49.4 Å²	49.4	35%	0.345	25%	0.245	S	C	.	.	H	α-helix	trans	-71.7	-49.1	177.5	173.4	0	0	0	0	111.3	S55 A57 Y60 K82 L84	S55-V86 WeakPolarHBondContact O-CG1 3.43Å; A57-V86 HydrophobicContact CB-CB 4.15Å; A57-V86 HydrophobicContact CB-CG1 3.92Å; Y60-V86 HydrophobicContact CD2-CG2 4.44Å; Y60-V86 HydrophobicContact CE2-CG2 4.24Å; K82-V86 WeakPolarHBondContact O-CG2 3.41Å; K82-V86 PolarHBondContact O-N 3.43Å; L84-V86 VanDerWaalsContact C-N 3.35Å
87	D	95.8	Very high	94.9	Very high	62 Å²	62	52 Å²	52	33%	0.332	25%	0.254	S	S	.	.			trans	-137.2	103	177.1	-179.1	5	0	0	0	111.5	A57 A83 L84 N89 Y90	A57-D87 HydrophobicContact CB-CB 3.75Å; A83-D87 PolarHBondContact O-N 2.69Å; L84-D87 CarbonylContact O-C 3.52Å; D87-N89 PolarHBondContact O-N 3.03Å; D87-N89 WeakPolarHBondContact OD1-CA 3.32Å; D87-N89 WeakPolarHBondContact OD1-CB 3.12Å; D87-N89 PolarHBondContact OD1-N 2.75Å; D87-Y90 WeakPolarHBondContact O-CB 3.49Å; D87-Y90 PolarHBondContact O-N 3.48Å; D87-Y90 VanDerWaalsContact O-N 3.16Å
88	K	94.3	Very high	94.8	Very high	155 Å²	155	50.5 Å²	50.5	67%	0.674	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17	178.2	-66.4	179.6	-177.7	176.4	0	113.7	L84 Y94	L84-K88 WeakPolarHBondContact O-CA 3.44Å; L84-K88 VanDerWaalsContact O-CG 3.26Å; L84-K88 WeakPolarHBondContact O-CG 3.46Å; L84-K88 PolarHBondContact O-N 2.84Å; K88-Y94 VanDerWaalsContact O-CE2 3.28Å; K88-Y94 WeakPolarHBondContact O-CE2 3.29Å; K88-Y94 PolarHBondContact O-OH 2.81Å
89	N	92.7	Very high	94.4	Very high	135 Å²	135	49.3 Å²	49.3	72%	0.722	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-2.1	179	-63.3	-41.2	0	0	0	112.1	D87 I91	D87-N89 PolarHBondContact O-N 3.03Å; D87-N89 WeakPolarHBondContact OD1-CA 3.32Å; D87-N89 WeakPolarHBondContact OD1-CB 3.12Å; D87-N89 PolarHBondContact OD1-N 2.75Å; N89-I91 PolarHBondContact O-N 3.41Å
90	Y	94.3	Very high	94.2	Very high	35 Å²	35	48.7 Å²	48.7	14%	0.137	23%	0.23	C	C	.	.			trans	-76.7	89.4	-177.1	-167.5	-112	0	0	0	112	A57 I58 S61 L84 D87 K92 G93	A57-Y90 HydrophobicContact CB-CD1 4.43Å; A57-Y90 HydrophobicContact CB-CG 4.4Å; I58-Y90 HydrophobicContact CG1-CE2 4.04Å; S61-Y90 WeakPolarHBondContact OG-CE1 3.4Å; L84-Y90 WeakPolarHBondContact CD2-O 3.31Å; D87-Y90 WeakPolarHBondContact O-CB 3.49Å; D87-Y90 PolarHBondContact O-N 3.48Å; D87-Y90 VanDerWaalsContact O-N 3.16Å; Y90-K92 HydrophobicContact CD1-CB 4.14Å; Y90-K92 HydrophobicContact CE1-CB 3.51Å; Y90-K92 HydrophobicContact CE2-CB 4.45Å; Y90-K92 PolarHBondContact O-N 3.13Å; Y90-K92 VanDerWaalsContact O-N 3.13Å; Y90-K92 WeakPolarHBondContact OH-CD 3.21Å; Y90-G93 WeakPolarHBondContact O-CA 3.43Å; Y90-G93 PolarHBondContact O-N 3.39Å
91	I	91.8	Very high	93.9	Very high	28 Å²	28	49.3 Å²	49.3	14%	0.144	23%	0.234	C	C	.	.	H	α-helix	trans	-55.7	-34.8	-173.8	-54.6	-53.3	0	0	0	113.7	N89 G93 Y94 Y95 V117 V120	N89-I91 PolarHBondContact O-N 3.41Å; I91-G93 PolarHBondContact O-N 3.12Å; I91-Y94 PolarHBondContact O-N 3.45Å; I91-Y95 PolarHBondContact O-N 3.37Å; I91-Y95 VanDerWaalsContact O-N 3.16Å; I91-V117 HydrophobicContact CG2-CG1 4.15Å; I91-V117 HydrophobicContact CG2-CG2 4.33Å; I91-V120 HydrophobicContact CD1-CB 4.03Å; I91-V120 HydrophobicContact CD1-CG1 3.76Å; I91-V120 HydrophobicContact CD1-CG2 3.92Å; I91-V120 HydrophobicContact CG1-CG1 3.91Å
92	K	91.1	Very high	93.3	Very high	97 Å²	97	47.5 Å²	47.5	42%	0.422	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-33.9	175.4	-77.4	176.8	177.1	178.3	0	111.4	Y90 Y95 R96	Y90-K92 HydrophobicContact CD1-CB 4.14Å; Y90-K92 HydrophobicContact CE1-CB 3.51Å; Y90-K92 HydrophobicContact CE2-CB 4.45Å; Y90-K92 PolarHBondContact O-N 3.13Å; Y90-K92 VanDerWaalsContact O-N 3.13Å; Y90-K92 WeakPolarHBondContact OH-CD 3.21Å; K92-Y95 PolarHBondContact O-N 2.96Å; K92-R96 WeakPolarHBondContact O-CG 3.28Å; K92-R96 PolarHBondContact O-N 2.92Å
93	G	94.1	Very high	92.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-48.4	175.1	0	0	0	0	0	112.5	Y90 I91 Y95 R96 R97	Y90-G93 WeakPolarHBondContact O-CA 3.43Å; Y90-G93 PolarHBondContact O-N 3.39Å; I91-G93 PolarHBondContact O-N 3.12Å; G93-Y95 VanDerWaalsContact C-N 3.31Å; G93-Y95 PolarHBondContact O-N 3.49Å; G93-R96 PolarHBondContact O-N 2.7Å; G93-R97 WeakPolarHBondContact O-CB 3.41Å; G93-R97 PolarHBondContact O-N 3.43Å
94	Y	94.8	Very high	92	Very high	46 Å²	46	45.6 Å²	45.6	18%	0.18	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-44.2	174.9	-71.8	-82.8	0	0	0	111.7	L84 K88 I91 R97 A98 D113 T116	L84-Y94 HydrophobicContact CD1-CD1 3.91Å; L84-Y94 HydrophobicContact CD1-CD2 4.32Å; L84-Y94 HydrophobicContact CD1-CE1 4.04Å; L84-Y94 HydrophobicContact CD1-CE2 4.45Å; L84-Y94 HydrophobicContact CD1-CG 4.04Å; L84-Y94 HydrophobicContact CD2-CD2 3.48Å; L84-Y94 VanDerWaalsContact CD2-CD2 3.48Å; L84-Y94 HydrophobicContact CD2-CE1 4.47Å; L84-Y94 HydrophobicContact CD2-CE2 3.44Å; L84-Y94 VanDerWaalsContact CD2-CE2 3.44Å; L84-Y94 HydrophobicContact CD2-CG 4.04Å; K88-Y94 VanDerWaalsContact O-CE2 3.28Å; K88-Y94 WeakPolarHBondContact O-CE2 3.29Å; K88-Y94 PolarHBondContact O-OH 2.81Å; I91-Y94 PolarHBondContact O-N 3.45Å; Y94-R97 PolarHBondContact O-N 3.06Å; Y94-A98 VanDerWaalsContact O-CB 3.3Å; Y94-A98 WeakPolarHBondContact O-CB 3.43Å; Y94-A98 PolarHBondContact O-N 3.27Å; Y94-D113 WeakPolarHBondContact CD1-OD1 3.3Å; Y94-T116 HydrophobicContact CD1-CG2 4Å; Y94-T116 HydrophobicContact CD2-CG2 4.33Å; Y94-T116 HydrophobicContact CE1-CG2 4.02Å; Y94-T116 HydrophobicContact CE2-CG2 4.33Å; Y94-T116 HydrophobicContact CG-CG2 4.16Å
95	Y	91	Very high	91.3	Very high	32 Å²	32	46.1 Å²	46.1	13%	0.125	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-41	-179.8	-173.7	-84.6	0	0	0	112.5	I91 K92 G93 T99 Y114 V117 D126 K130	I91-Y95 PolarHBondContact O-N 3.37Å; I91-Y95 VanDerWaalsContact O-N 3.16Å; K92-Y95 PolarHBondContact O-N 2.96Å; G93-Y95 VanDerWaalsContact C-N 3.31Å; G93-Y95 PolarHBondContact O-N 3.49Å; Y95-T99 WeakPolarHBondContact O-CB 3.39Å; Y95-T99 PolarHBondContact O-N 3.23Å; Y95-T99 VanDerWaalsContact O-N 3.09Å; Y95-T99 PolarHBondContact O-OG1 2.94Å; Y95-Y114 HydrophobicContact CD2-CE1 4.36Å; Y95-Y114 HydrophobicContact CE2-CE1 4.39Å; Y95-V117 HydrophobicContact CD2-CG1 4.17Å; Y95-V117 HydrophobicContact CD2-CG2 4.49Å; Y95-D126 WeakPolarHBondContact CE2-OD2 3.33Å; Y95-D126 VanDerWaalsContact CZ-OD2 3.29Å; Y95-D126 PolarHBondContact OH-OD2 3.21Å; Y95-K130 HydrophobicContact CE2-CD 4.17Å; Y95-K130 WeakPolarHBondContact OH-CD 3.28Å; Y95-K130 WeakPolarHBondContact OH-CE 3.08Å; Y95-K130 PolarHBondContact OH-NZ 3.05Å
96	R	92.9	Very high	90.9	Very high	39 Å²	39	45.1 Å²	45.1	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-47.2	173.1	-63	-49.8	168.4	-135	-1.9	111	A80 K92 G93 A98 T99 S100	A80-R96 HydrophobicContact CB-CB 3.83Å; K92-R96 WeakPolarHBondContact O-CG 3.28Å; K92-R96 PolarHBondContact O-N 2.92Å; G93-R96 PolarHBondContact O-N 2.7Å; R96-A98 VanDerWaalsContact C-N 3.35Å; R96-A98 PolarHBondContact O-N 2.99Å; R96-T99 WeakPolarHBondContact O-CB 3.07Å; R96-T99 PolarHBondContact O-N 3.08Å; R96-T99 VanDerWaalsContact O-N 3.11Å; R96-S100 PolarHBondContact O-N 3.07Å; R96-S100 PolarHBondContact O-OG 2.89Å; R96-S100 VanDerWaalsContact O-OG 3.08Å
97	R	95.1	Very high	90.6	Very high	54 Å²	54	43 Å²	43	20%	0.204	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-40.9	179.9	-159.2	171.4	64.6	-170.8	-5.3	112.6	L77 A80 T81 G93 Y94 T99 S100 N101 D113	L77-R97 HydrophobicContact CD1-CG 3.55Å; A80-R97 HydrophobicContact CB-CB 3.7Å; A80-R97 HydrophobicContact CB-CG 4.2Å; T81-R97 VanDerWaalsContact OG1-CD 3.29Å; T81-R97 WeakPolarHBondContact OG1-CD 3.34Å; G93-R97 WeakPolarHBondContact O-CB 3.41Å; G93-R97 PolarHBondContact O-N 3.43Å; Y94-R97 PolarHBondContact O-N 3.06Å; R97-T99 VanDerWaalsContact C-N 3.33Å; R97-T99 PolarHBondContact O-N 3.21Å; R97-S100 PolarHBondContact O-N 3.42Å; R97-N101 WeakPolarHBondContact O-CB 3.31Å; R97-N101 PolarHBondContact O-N 2.92Å; R97-N101 PolarHBondContact O-ND2 3.3Å; R97-D113 WeakPolarHBondContact CB-OD2 3.39Å; R97-D113 WeakPolarHBondContact CG-OD2 3.49Å; R97-D113 IonicContact CZ-OD1 3.94Å; R97-D113 IonicContact CZ-OD2 3.86Å; R97-D113 IonicContact NE-OD1 2.72Å; R97-D113 IonicContact NE-OD2 2.8Å; R97-D113 PolarHBondContact NE-OD2 2.69Å; R97-D113 IonicContact NH2-OD1 2.99Å; R97-D113 PolarHBondContact NH2-OD1 2.89Å; R97-D113 IonicContact NH2-OD2 3.81Å
98	A	92	Very high	90.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-46.3	173.7	0	0	0	0	0	111.1	Y94 R96 N101 M102 A110 D113 Y114	Y94-A98 VanDerWaalsContact O-CB 3.3Å; Y94-A98 WeakPolarHBondContact O-CB 3.43Å; Y94-A98 PolarHBondContact O-N 3.27Å; R96-A98 VanDerWaalsContact C-N 3.35Å; R96-A98 PolarHBondContact O-N 2.99Å; A98-N101 PolarHBondContact O-N 3.18Å; A98-M102 WeakPolarHBondContact O-CB 3.16Å; A98-M102 PolarHBondContact O-N 3.26Å; A98-A110 WeakPolarHBondContact O-CB 3.28Å; A98-D113 HydrophobicContact CB-CB 3.62Å; A98-Y114 HydrophobicContact CB-CD1 3.63Å; A98-Y114 HydrophobicContact CB-CD2 3.95Å; A98-Y114 HydrophobicContact CB-CE1 3.47Å; A98-Y114 VanDerWaalsContact CB-CE1 3.47Å; A98-Y114 HydrophobicContact CB-CE2 3.83Å; A98-Y114 HydrophobicContact CB-CG 3.84Å
99	T	88.4	Confident	90.4	Very high	31 Å²	31	41.4 Å²	41.4	19%	0.19	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-41.9	179.8	-52.6	0	0	0	0	111.6	L68 Y95 R96 R97 M102 A103 Y114	L68-T99 HydrophobicContact CD1-CG2 3.92Å; L68-T99 HydrophobicContact CD2-CG2 4.15Å; Y95-T99 WeakPolarHBondContact O-CB 3.39Å; Y95-T99 PolarHBondContact O-N 3.23Å; Y95-T99 VanDerWaalsContact O-N 3.09Å; Y95-T99 PolarHBondContact O-OG1 2.94Å; R96-T99 WeakPolarHBondContact O-CB 3.07Å; R96-T99 PolarHBondContact O-N 3.08Å; R96-T99 VanDerWaalsContact O-N 3.11Å; R97-T99 VanDerWaalsContact C-N 3.33Å; R97-T99 PolarHBondContact O-N 3.21Å; T99-M102 WeakPolarHBondContact O-CB 3.19Å; T99-M102 PolarHBondContact O-N 3.01Å; T99-A103 PolarHBondContact O-N 2.95Å; T99-Y114 PolarHBondContact OG1-OH 3.46Å
100	S	91.2	Very high	90.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-47.5	174.2	-52.6	0	0	0	0	111.6	L68 A76 L77 R96 R97 M102 A103 L104	L68-S100 WeakPolarHBondContact CD2-OG 3.5Å; A76-S100 VanDerWaalsContact CB-OG 3.31Å; A76-S100 WeakPolarHBondContact CB-OG 3.44Å; L77-S100 PolarHBondContact N-OG 3.35Å; R96-S100 PolarHBondContact O-N 3.07Å; R96-S100 PolarHBondContact O-OG 2.89Å; R96-S100 VanDerWaalsContact O-OG 3.08Å; R97-S100 PolarHBondContact O-N 3.42Å; S100-M102 PolarHBondContact O-N 2.92Å; S100-A103 PolarHBondContact O-N 2.54Å; S100-L104 WeakPolarHBondContact O-CB 3.5Å; S100-L104 WeakPolarHBondContact O-CG 3.33Å; S100-L104 PolarHBondContact O-N 2.85Å
101	N	91.4	Very high	90.4	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-35.9	176.1	-81.6	-44.5	0	0	0	112	R97 A98 L104 G105 K106 A109 A110	R97-N101 WeakPolarHBondContact O-CB 3.31Å; R97-N101 PolarHBondContact O-N 2.92Å; R97-N101 PolarHBondContact O-ND2 3.3Å; A98-N101 PolarHBondContact O-N 3.18Å; N101-L104 PolarHBondContact O-N 3.15Å; N101-G105 PolarHBondContact O-N 3.39Å; N101-K106 HydrophobicContact CB-CB 4Å; N101-K106 CarbonylContact O-C 3.5Å; N101-K106 WeakPolarHBondContact O-CA 3.43Å; N101-K106 WeakPolarHBondContact O-CB 3.32Å; N101-K106 PolarHBondContact O-N 3.11Å; N101-A109 HydrophobicContact CB-CB 4.33Å; N101-A110 HydrophobicContact CB-CB 3.8Å
102	M	85.1	Confident	90.6	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-48.4	176.3	-167.1	68.7	-155.1	0	0	111.2	A98 T99 S100 L104 G105 F107 A110 C134 I137 M307 L488	A98-M102 WeakPolarHBondContact O-CB 3.16Å; A98-M102 PolarHBondContact O-N 3.26Å; T99-M102 WeakPolarHBondContact O-CB 3.19Å; T99-M102 PolarHBondContact O-N 3.01Å; S100-M102 PolarHBondContact O-N 2.92Å; M102-L104 VanDerWaalsContact C-N 3.26Å; M102-L104 PolarHBondContact O-N 3.24Å; M102-G105 PolarHBondContact O-N 3.03Å; M102-G105 VanDerWaalsContact O-N 3.08Å; M102-F107 HydrophobicContact CE-CD1 3.4Å; M102-F107 VanDerWaalsContact CE-CD1 3.4Å; M102-F107 HydrophobicContact CE-CE1 3.4Å; M102-F107 VanDerWaalsContact CE-CE1 3.4Å; M102-F107 HydrophobicContact SD-CD1 3.61Å; M102-F107 HydrophobicContact SD-CE1 4.06Å; M102-A110 HydrophobicContact CB-CB 4.21Å; M102-A110 HydrophobicContact SD-CB 4.35Å; M102-C134 HydrophobicContact SD-CB 4.16Å; M102-I137 HydrophobicContact CE-CD1 3.28Å; M102-M307 HydrophobicContact CE-CE 3.87Å; M102-M307 HydrophobicContact CE-SD 4.04Å; M102-M307 HydrophobicContact CG-CE 4.25Å; M102-L488 HydrophobicContact CE-CD1 4.27Å
103	A	82.3	Confident	90.8	Very high	9 Å²	9	36 Å²	36	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-32.1	177.4	0	0	0	0	0	112.8	Y73 T99 S100 G105	Y73-A103 HydrophobicContact CD1-CB 3.38Å; Y73-A103 HydrophobicContact CD2-CB 4.05Å; Y73-A103 HydrophobicContact CE1-CB 3.49Å; Y73-A103 VanDerWaalsContact CE1-CB 3.49Å; Y73-A103 HydrophobicContact CE2-CB 4.15Å; Y73-A103 HydrophobicContact CG-CB 3.67Å; T99-A103 PolarHBondContact O-N 2.95Å; S100-A103 PolarHBondContact O-N 2.54Å; A103-G105 PolarHBondContact O-N 2.83Å
104	L	84.3	Confident	90.8	Very high	33 Å²	33	36.2 Å²	36.2	17%	0.173	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	2.9	175.2	-66.3	169.3	0	0	0	114	L77 S100 N101 M102 K106 R395	L77-L104 HydrophobicContact CB-CD1 4.17Å; L77-L104 HydrophobicContact CD2-CD1 3.53Å; L77-L104 HydrophobicContact CG-CD1 4.43Å; S100-L104 WeakPolarHBondContact O-CB 3.5Å; S100-L104 WeakPolarHBondContact O-CG 3.33Å; S100-L104 PolarHBondContact O-N 2.85Å; N101-L104 PolarHBondContact O-N 3.15Å; M102-L104 VanDerWaalsContact C-N 3.26Å; M102-L104 PolarHBondContact O-N 3.24Å; L104-K106 HydrophobicContact CB-CD 4.18Å; L104-K106 HydrophobicContact CB-CG 4.12Å; L104-K106 HydrophobicContact CD1-CD 4.41Å; L104-K106 PolarHBondContact O-N 3.07Å; L104-R395 WeakPolarHBondContact CD2-O 3.45Å
105	G	81.9	Confident	90.8	Very high	21 Å²	21	38.8 Å²	38.8	22%	0.216	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	10.5	-175.3	0	0	0	0	0	114.9	N101 M102 A103 F107	N101-G105 PolarHBondContact O-N 3.39Å; M102-G105 PolarHBondContact O-N 3.03Å; M102-G105 VanDerWaalsContact O-N 3.08Å; A103-G105 PolarHBondContact O-N 2.83Å; G105-F107 VanDerWaalsContact CA-CZ 3.48Å; G105-F107 WeakPolarHBondContact O-CD2 3.36Å; G105-F107 WeakPolarHBondContact O-CE2 3.43Å; G105-F107 PolarHBondContact O-N 3.24Å
106	K	88.6	Confident	90.9	Very high	97 Å²	97	38.4 Å²	38.4	42%	0.422	19%	0.19	S	C	.	.			trans	-82.5	56.4	177.5	-63	177.8	-176	175.4	0	110.6	N101 L104 K108 A109 A110	N101-K106 HydrophobicContact CB-CB 4Å; N101-K106 CarbonylContact O-C 3.5Å; N101-K106 WeakPolarHBondContact O-CA 3.43Å; N101-K106 WeakPolarHBondContact O-CB 3.32Å; N101-K106 PolarHBondContact O-N 3.11Å; L104-K106 HydrophobicContact CB-CD 4.18Å; L104-K106 HydrophobicContact CB-CG 4.12Å; L104-K106 HydrophobicContact CD1-CD 4.41Å; L104-K106 PolarHBondContact O-N 3.07Å; K106-K108 VanDerWaalsContact C-N 3.34Å; K106-K108 PolarHBondContact O-N 3.4Å; K106-A109 HydrophobicContact CB-CB 4.31Å; K106-A109 WeakPolarHBondContact O-CB 3.16Å; K106-A109 PolarHBondContact O-N 3.34Å; K106-A110 PolarHBondContact O-N 2.92Å
107	F	89.3	Confident	90.9	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.053	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-38.1	-168.6	-51.9	-65.8	0	0	0	114.2	M102 G105 A109 A110 L111 C134 I137 V138 K141 M307	M102-F107 HydrophobicContact CE-CD1 3.4Å; M102-F107 VanDerWaalsContact CE-CD1 3.4Å; M102-F107 HydrophobicContact CE-CE1 3.4Å; M102-F107 VanDerWaalsContact CE-CE1 3.4Å; M102-F107 HydrophobicContact SD-CD1 3.61Å; M102-F107 HydrophobicContact SD-CE1 4.06Å; G105-F107 VanDerWaalsContact CA-CZ 3.48Å; G105-F107 WeakPolarHBondContact O-CD2 3.36Å; G105-F107 WeakPolarHBondContact O-CE2 3.43Å; G105-F107 PolarHBondContact O-N 3.24Å; F107-A109 PolarHBondContact O-N 3.16Å; F107-A110 PolarHBondContact O-N 2.93Å; F107-L111 WeakPolarHBondContact O-CB 3.22Å; F107-L111 PolarHBondContact O-N 2.97Å; F107-C134 PolarHBondContact O-SG 3.49Å; F107-C134 VanDerWaalsContact O-SG 3.39Å; F107-I137 HydrophobicContact CB-CG2 4.4Å; F107-I137 HydrophobicContact CD1-CG2 3.7Å; F107-I137 HydrophobicContact CD2-CG2 3.92Å; F107-I137 HydrophobicContact CE1-CG2 3.85Å; F107-I137 HydrophobicContact CE2-CG2 4.1Å; F107-I137 HydrophobicContact CG-CG2 3.71Å; F107-I137 HydrophobicContact CZ-CG2 4.03Å; F107-V138 HydrophobicContact CB-CG2 3.57Å; F107-K141 HydrophobicContact CD2-CD 3.46Å; F107-K141 VanDerWaalsContact CD2-CD 3.46Å; F107-K141 HydrophobicContact CE2-CD 3.51Å; F107-M307 HydrophobicContact CE1-SD 4.23Å
108	K	92.3	Very high	90.8	Very high	142 Å²	142	35.5 Å²	35.5	62%	0.617	18%	0.182	S	C	*	.	H	α-helix	trans	-64.9	-39.9	177	-69.3	-176	178.5	-177.6	0	112.3	K106 K112 V138	K106-K108 VanDerWaalsContact C-N 3.34Å; K106-K108 PolarHBondContact O-N 3.4Å; K108-K112 PolarHBondContact O-N 3.25Å; K108-V138 HydrophobicContact CG-CG1 4.25Å; K108-V138 HydrophobicContact CG-CG2 4.48Å
109	A	93.8	Very high	90.9	Very high	42 Å²	42	43.7 Å²	43.7	35%	0.347	21%	0.213	S	C	.	.	H	α-helix	trans	-69.4	-42.2	176.6	0	0	0	0	0	110.8	N101 K106 F107 L111 K112 D113	N101-A109 HydrophobicContact CB-CB 4.33Å; K106-A109 HydrophobicContact CB-CB 4.31Å; K106-A109 WeakPolarHBondContact O-CB 3.16Å; K106-A109 PolarHBondContact O-N 3.34Å; F107-A109 PolarHBondContact O-N 3.16Å; A109-L111 PolarHBondContact O-N 3.14Å; A109-K112 PolarHBondContact O-N 2.92Å; A109-D113 PolarHBondContact O-N 3.21Å
110	A	92.8	Very high	91	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-45.3	174.5	0	0	0	0	0	112.2	A98 N101 M102 K106 F107 K112 D113 Y114	A98-A110 WeakPolarHBondContact O-CB 3.28Å; N101-A110 HydrophobicContact CB-CB 3.8Å; M102-A110 HydrophobicContact CB-CB 4.21Å; M102-A110 HydrophobicContact SD-CB 4.35Å; K106-A110 PolarHBondContact O-N 2.92Å; F107-A110 PolarHBondContact O-N 2.93Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.25Å; A110-D113 PolarHBondContact O-N 3.25Å; A110-Y114 HydrophobicContact CB-CD2 4.42Å; A110-Y114 HydrophobicContact CB-CE2 4.26Å; A110-Y114 VanDerWaalsContact O-CD2 3.32Å; A110-Y114 WeakPolarHBondContact O-CD2 3.27Å; A110-Y114 PolarHBondContact O-N 3.17Å
111	L	94.7	Very high	90.9	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.141	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-42.2	-179.2	-174.8	61.7	0	0	0	112.2	F107 A109 D113 Y114 E115 Y131 C134 N135 V138	F107-L111 WeakPolarHBondContact O-CB 3.22Å; F107-L111 PolarHBondContact O-N 2.97Å; A109-L111 PolarHBondContact O-N 3.14Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-D113 PolarHBondContact O-N 3.33Å; L111-Y114 PolarHBondContact O-N 3.32Å; L111-E115 WeakPolarHBondContact O-CB 3.27Å; L111-E115 PolarHBondContact O-N 3.17Å; L111-Y131 HydrophobicContact CD1-CD2 3.68Å; L111-Y131 HydrophobicContact CD1-CE2 3.54Å; L111-Y131 HydrophobicContact CG-CE2 4.42Å; L111-C134 HydrophobicContact CD1-CB 4.3Å; L111-N135 HydrophobicContact CD1-CB 3.84Å; L111-V138 HydrophobicContact CB-CG2 4.32Å; L111-V138 HydrophobicContact CD2-CB 4.2Å; L111-V138 HydrophobicContact CD2-CG1 4.2Å; L111-V138 HydrophobicContact CD2-CG2 4.06Å
112	K	95.8	Very high	90.7	Very high	148 Å²	148	54.5 Å²	54.5	64%	0.643	27%	0.268	S	S	*	.	H	α-helix	trans	-61.3	-40.7	177.5	-175.7	-179.7	179.7	179.8	0	112.4	K108 A109 A110 T116	K108-K112 PolarHBondContact O-N 3.25Å; A109-K112 PolarHBondContact O-N 2.92Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.25Å; K112-T116 PolarHBondContact O-N 3.3Å; K112-T116 PolarHBondContact O-OG1 3.22Å; K112-T116 VanDerWaalsContact O-OG1 3.1Å
113	D	95.5	Very high	90.9	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-72.9	-41.5	177.5	-75.2	-25.1	0	0	0	111.2	Y94 R97 A98 A109 A110 L111 E115 T116 V117	Y94-D113 WeakPolarHBondContact CD1-OD1 3.3Å; R97-D113 WeakPolarHBondContact CB-OD2 3.39Å; R97-D113 WeakPolarHBondContact CG-OD2 3.49Å; R97-D113 IonicContact CZ-OD1 3.94Å; R97-D113 IonicContact CZ-OD2 3.86Å; R97-D113 IonicContact NE-OD1 2.72Å; R97-D113 IonicContact NE-OD2 2.8Å; R97-D113 PolarHBondContact NE-OD2 2.69Å; R97-D113 IonicContact NH2-OD1 2.99Å; R97-D113 PolarHBondContact NH2-OD1 2.89Å; R97-D113 IonicContact NH2-OD2 3.81Å; A98-D113 HydrophobicContact CB-CB 3.62Å; A109-D113 PolarHBondContact O-N 3.21Å; A110-D113 PolarHBondContact O-N 3.25Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-D113 PolarHBondContact O-N 3.33Å; D113-E115 VanDerWaalsContact C-N 3.34Å; D113-E115 PolarHBondContact O-N 3.48Å; D113-T116 WeakPolarHBondContact O-CB 3.48Å; D113-T116 PolarHBondContact O-N 2.93Å; D113-T116 VanDerWaalsContact O-N 3.16Å; D113-V117 WeakPolarHBondContact O-CG2 3.04Å; D113-V117 PolarHBondContact O-N 2.77Å
114	Y	93.6	Very high	91.1	Very high	3 Å²	3	63.4 Å²	63.4	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-39.5	174.6	-76.1	-48.9	0	0	0	112.8	Y95 A98 T99 A110 L111 T116 V117 V118 K130 C134	Y95-Y114 HydrophobicContact CD2-CE1 4.36Å; Y95-Y114 HydrophobicContact CE2-CE1 4.39Å; A98-Y114 HydrophobicContact CB-CD1 3.63Å; A98-Y114 HydrophobicContact CB-CD2 3.95Å; A98-Y114 HydrophobicContact CB-CE1 3.47Å; A98-Y114 VanDerWaalsContact CB-CE1 3.47Å; A98-Y114 HydrophobicContact CB-CE2 3.83Å; A98-Y114 HydrophobicContact CB-CG 3.84Å; T99-Y114 PolarHBondContact OG1-OH 3.46Å; A110-Y114 HydrophobicContact CB-CD2 4.42Å; A110-Y114 HydrophobicContact CB-CE2 4.26Å; A110-Y114 VanDerWaalsContact O-CD2 3.32Å; A110-Y114 WeakPolarHBondContact O-CD2 3.27Å; A110-Y114 PolarHBondContact O-N 3.17Å; L111-Y114 PolarHBondContact O-N 3.32Å; Y114-T116 VanDerWaalsContact C-N 3.26Å; Y114-T116 PolarHBondContact O-N 2.96Å; Y114-V117 PolarHBondContact O-N 2.74Å; Y114-V117 VanDerWaalsContact O-N 3.15Å; Y114-V118 WeakPolarHBondContact O-CG2 3.32Å; Y114-V118 PolarHBondContact O-N 2.85Å; Y114-K130 HydrophobicContact CD1-CB 4.03Å; Y114-K130 HydrophobicContact CE1-CB 3.64Å; Y114-K130 HydrophobicContact CE1-CD 4.03Å; Y114-K130 HydrophobicContact CE1-CG 4.4Å; Y114-K130 HydrophobicContact CE2-CB 4.21Å; Y114-C134 HydrophobicContact CD2-CB 3.88Å; Y114-C134 HydrophobicContact CE2-CB 4.16Å
115	E	94.9	Very high	91.3	Very high	101 Å²	101	69.8 Å²	69.8	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-42.1	174	-174.1	178.1	-170.8	0	0	111.2	L111 D113 R119 Y131	L111-E115 WeakPolarHBondContact O-CB 3.27Å; L111-E115 PolarHBondContact O-N 3.17Å; D113-E115 VanDerWaalsContact C-N 3.34Å; D113-E115 PolarHBondContact O-N 3.48Å; E115-R119 VanDerWaalsContact O-CB 3.29Å; E115-R119 WeakPolarHBondContact O-CB 3.37Å; E115-R119 PolarHBondContact O-N 3.16Å; E115-Y131 HydrophobicContact CB-CD2 4.35Å; E115-Y131 HydrophobicContact CB-CE2 3.97Å; E115-Y131 HydrophobicContact CG-CE2 4.37Å
116	T	93.8	Very high	91.4	Very high	23 Å²	23	71.1 Å²	71.1	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-44	175.3	-59.8	0	0	0	0	111.4	Y94 K112 D113 Y114 V120	Y94-T116 HydrophobicContact CD1-CG2 4Å; Y94-T116 HydrophobicContact CD2-CG2 4.33Å; Y94-T116 HydrophobicContact CE1-CG2 4.02Å; Y94-T116 HydrophobicContact CE2-CG2 4.33Å; Y94-T116 HydrophobicContact CG-CG2 4.16Å; K112-T116 PolarHBondContact O-N 3.3Å; K112-T116 PolarHBondContact O-OG1 3.22Å; K112-T116 VanDerWaalsContact O-OG1 3.1Å; D113-T116 WeakPolarHBondContact O-CB 3.48Å; D113-T116 PolarHBondContact O-N 2.93Å; D113-T116 VanDerWaalsContact O-N 3.16Å; Y114-T116 VanDerWaalsContact C-N 3.26Å; Y114-T116 PolarHBondContact O-N 2.96Å; T116-V120 WeakPolarHBondContact O-CG2 3.3Å; T116-V120 PolarHBondContact O-N 2.88Å
117	V	91.9	Very high	91.2	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-48.7	178.5	179.2	0	0	0	0	111.5	I91 Y95 D113 Y114 R119 V120 R121 A127	I91-V117 HydrophobicContact CG2-CG1 4.15Å; I91-V117 HydrophobicContact CG2-CG2 4.33Å; Y95-V117 HydrophobicContact CD2-CG1 4.17Å; Y95-V117 HydrophobicContact CD2-CG2 4.49Å; D113-V117 WeakPolarHBondContact O-CG2 3.04Å; D113-V117 PolarHBondContact O-N 2.77Å; Y114-V117 PolarHBondContact O-N 2.74Å; Y114-V117 VanDerWaalsContact O-N 3.15Å; V117-R119 VanDerWaalsContact C-N 3.29Å; V117-R119 PolarHBondContact O-N 3.48Å; V117-V120 PolarHBondContact O-N 3.11Å; V117-R121 PolarHBondContact O-N 2.88Å; V117-A127 HydrophobicContact CG1-CB 3.72Å
118	V	93.7	Very high	91.1	Very high	30 Å²	30	72 Å²	72	18%	0.182	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-35	-178.7	173.1	0	0	0	0	111.3	Y114 R121 P122 A127 Y131	Y114-V118 WeakPolarHBondContact O-CG2 3.32Å; Y114-V118 PolarHBondContact O-N 2.85Å; V118-R121 CarbonylContact O-C 3.53Å; V118-P122 VanDerWaalsContact O-CA 3.27Å; V118-P122 WeakPolarHBondContact O-CA 3.41Å; V118-A127 HydrophobicContact CG2-CB 4.09Å; V118-A127 WeakPolarHBondContact CG2-O 3.43Å; V118-Y131 HydrophobicContact CG2-CG 4.3Å
119	R	93.5	Very high	90.9	Very high	173 Å²	173	69.1 Å²	69.1	65%	0.653	33%	0.333	S	S	*	.	H	α-helix	trans	-62.6	-41.1	174.5	-177.1	176	63	-154.7	-3.9	112.5	E115 V117	E115-R119 VanDerWaalsContact O-CB 3.29Å; E115-R119 WeakPolarHBondContact O-CB 3.37Å; E115-R119 PolarHBondContact O-N 3.16Å; V117-R119 VanDerWaalsContact C-N 3.29Å; V117-R119 PolarHBondContact O-N 3.48Å
120	V	90.9	Very high	90.6	Very high	76 Å²	76	68 Å²	68	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-82.4	-31.2	-179.1	179.8	0	0	0	0	112	I91 T116 V117 P122	I91-V120 HydrophobicContact CD1-CB 4.03Å; I91-V120 HydrophobicContact CD1-CG1 3.76Å; I91-V120 HydrophobicContact CD1-CG2 3.92Å; I91-V120 HydrophobicContact CG1-CG1 3.91Å; T116-V120 WeakPolarHBondContact O-CG2 3.3Å; T116-V120 PolarHBondContact O-N 2.88Å; V117-V120 PolarHBondContact O-N 3.11Å; V120-P122 WeakPolarHBondContact O-CD 3.47Å
121	R	88.4	Confident	90.5	Very high	114 Å²	114	71 Å²	71	43%	0.43	33%	0.332	S	S	.	.			trans	-125.8	70.9	-178.9	-62.8	-173	174.5	-167.7	-3.4	111.2	V117 V118 N123 D124	V117-R121 PolarHBondContact O-N 2.88Å; V118-R121 CarbonylContact O-C 3.53Å; R121-N123 PolarHBondContact O-N 2.78Å; R121-D124 HydrophobicContact CB-CB 3.86Å; R121-D124 WeakPolarHBondContact O-CB 3.35Å; R121-D124 PolarHBondContact O-N 3.24Å; R121-D124 VanDerWaalsContact O-N 3.11Å
122	P	87.9	Confident	90.3	Very high	79 Å²	79	75 Å²	75	51%	0.513	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.8	-174.7	25.9	-35.4	0	0	0	113.9	V118 V120	V118-P122 VanDerWaalsContact O-CA 3.27Å; V118-P122 WeakPolarHBondContact O-CA 3.41Å; V120-P122 WeakPolarHBondContact O-CD 3.47Å
123	N	89.9	Confident	89.8	Confident	152 Å²	152	70.4 Å²	70.4	81%	0.813	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.8	179.5	-64	-24.6	0	0	0	113.3	R121 K125	R121-N123 PolarHBondContact O-N 2.78Å; N123-K125 PolarHBondContact O-N 2.77Å; N123-K125 VanDerWaalsContact O-N 3.08Å
124	D	86.4	Confident	89.5	Confident	49 Å²	49	70.1 Å²	70.1	26%	0.262	33%	0.329	S	S	.	.			trans	-74.8	99.8	176.3	-170	-33.3	0	0	0	109.3	R121 D126 A127 R128	R121-D124 HydrophobicContact CB-CB 3.86Å; R121-D124 WeakPolarHBondContact O-CB 3.35Å; R121-D124 PolarHBondContact O-N 3.24Å; R121-D124 VanDerWaalsContact O-N 3.11Å; D124-D126 PolarHBondContact O-N 3.42Å; D124-D126 PolarHBondContact OD1-N 2.8Å; D124-D126 VanDerWaalsContact OD1-N 3.15Å; D124-A127 HydrophobicContact CB-CB 3.89Å; D124-A127 PolarHBondContact O-N 3.04Å; D124-A127 PolarHBondContact OD1-N 3.29Å; D124-R128 PolarHBondContact O-N 3.09Å; D124-R128 VanDerWaalsContact O-N 3.08Å
125	K	87.6	Confident	89.5	Confident	167 Å²	167	71.8 Å²	71.8	73%	0.726	34%	0.338	S	S	*	.	H	α-helix	trans	-58.7	-38	-177.3	-68.1	-177	179.9	179	0	112	N123 M129	N123-K125 PolarHBondContact O-N 2.77Å; N123-K125 VanDerWaalsContact O-N 3.08Å; K125-M129 WeakPolarHBondContact O-CB 3.06Å; K125-M129 PolarHBondContact O-N 3.02Å
126	D	83.1	Confident	89.2	Confident	50 Å²	50	73.1 Å²	73.1	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-69.1	-50.7	-179.6	173.7	89.9	0	0	0	110	Y95 D124 R128 M129 K130	Y95-D126 WeakPolarHBondContact CE2-OD2 3.33Å; Y95-D126 VanDerWaalsContact CZ-OD2 3.29Å; Y95-D126 PolarHBondContact OH-OD2 3.21Å; D124-D126 PolarHBondContact O-N 3.42Å; D124-D126 PolarHBondContact OD1-N 2.8Å; D124-D126 VanDerWaalsContact OD1-N 3.15Å; D126-R128 PolarHBondContact O-N 3.02Å; D126-M129 WeakPolarHBondContact O-CB 3.47Å; D126-M129 PolarHBondContact O-N 3.16Å; D126-K130 WeakPolarHBondContact O-CG 3.37Å; D126-K130 PolarHBondContact O-N 2.97Å; D126-K130 VanDerWaalsContact OD1-CE 3.3Å; D126-K130 WeakPolarHBondContact OD1-CE 3.48Å; D126-K130 IonicContact OD1-NZ 3.54Å; D126-K130 WeakPolarHBondContact OD2-CE 3.33Å; D126-K130 IonicContact OD2-NZ 2.72Å
127	A	84.4	Confident	88.8	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-55.8	-39.8	177.8	0	0	0	0	0	112.6	V117 V118 D124 K130 Y131	V117-A127 HydrophobicContact CG1-CB 3.72Å; V118-A127 HydrophobicContact CG2-CB 4.09Å; V118-A127 WeakPolarHBondContact CG2-O 3.43Å; D124-A127 HydrophobicContact CB-CB 3.89Å; D124-A127 PolarHBondContact O-N 3.04Å; D124-A127 PolarHBondContact OD1-N 3.29Å; A127-K130 PolarHBondContact O-N 3.09Å; A127-Y131 WeakPolarHBondContact O-CB 3.41Å; A127-Y131 PolarHBondContact O-N 3.33Å
128	R	88.6	Confident	88.7	Confident	127 Å²	127	73.8 Å²	73.8	48%	0.479	35%	0.346	S	S	.	.	H	α-helix	trans	-66.3	-42.9	176.8	-170.4	176.5	68.8	-178.1	3	112.5	D124 D126 Y131 Q132	D124-R128 PolarHBondContact O-N 3.09Å; D124-R128 VanDerWaalsContact O-N 3.08Å; D126-R128 PolarHBondContact O-N 3.02Å; R128-Y131 PolarHBondContact O-N 3.21Å; R128-Q132 VanDerWaalsContact O-CG 3.31Å; R128-Q132 WeakPolarHBondContact O-CG 3.31Å; R128-Q132 PolarHBondContact O-N 3.08Å
129	M	87.3	Confident	88.4	Confident	82 Å²	82	78.7 Å²	78.7	40%	0.404	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-48.1	174.7	-176.4	-165.7	-66.9	0	0	110.4	K125 D126 Y131 Q132 E133 L491	K125-M129 WeakPolarHBondContact O-CB 3.06Å; K125-M129 PolarHBondContact O-N 3.02Å; D126-M129 WeakPolarHBondContact O-CB 3.47Å; D126-M129 PolarHBondContact O-N 3.16Å; M129-Y131 PolarHBondContact O-N 3.23Å; M129-Q132 PolarHBondContact O-N 3.05Å; M129-E133 PolarHBondContact O-N 3.12Å; M129-L491 HydrophobicContact SD-CD1 4.09Å
130	K	87	Confident	88	Confident	19 Å²	19	74.1 Å²	74.1	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-40	179.2	-54.3	-152.9	172.4	176.1	0	113.1	Y95 Y114 D126 A127 C134 L488	Y95-K130 HydrophobicContact CE2-CD 4.17Å; Y95-K130 WeakPolarHBondContact OH-CD 3.28Å; Y95-K130 WeakPolarHBondContact OH-CE 3.08Å; Y95-K130 PolarHBondContact OH-NZ 3.05Å; Y114-K130 HydrophobicContact CD1-CB 4.03Å; Y114-K130 HydrophobicContact CE1-CB 3.64Å; Y114-K130 HydrophobicContact CE1-CD 4.03Å; Y114-K130 HydrophobicContact CE1-CG 4.4Å; Y114-K130 HydrophobicContact CE2-CB 4.21Å; D126-K130 WeakPolarHBondContact O-CG 3.37Å; D126-K130 PolarHBondContact O-N 2.97Å; D126-K130 VanDerWaalsContact OD1-CE 3.3Å; D126-K130 WeakPolarHBondContact OD1-CE 3.48Å; D126-K130 IonicContact OD1-NZ 3.54Å; D126-K130 WeakPolarHBondContact OD2-CE 3.33Å; D126-K130 IonicContact OD2-NZ 2.72Å; A127-K130 PolarHBondContact O-N 3.09Å; K130-C134 WeakPolarHBondContact O-CB 3.37Å; K130-C134 PolarHBondContact O-N 3.22Å; K130-L488 HydrophobicContact CB-CD2 3.97Å; K130-L488 HydrophobicContact CD-CD2 4.11Å; K130-L488 HydrophobicContact CG-CD2 3.58Å
131	Y	90.9	Very high	87.5	Confident	63 Å²	63	72.8 Å²	72.8	25%	0.247	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-47.7	173.3	172.4	-95.1	0	0	0	112.1	L111 E115 V118 A127 R128 M129 C134 N135	L111-Y131 HydrophobicContact CD1-CD2 3.68Å; L111-Y131 HydrophobicContact CD1-CE2 3.54Å; L111-Y131 HydrophobicContact CG-CE2 4.42Å; E115-Y131 HydrophobicContact CB-CD2 4.35Å; E115-Y131 HydrophobicContact CB-CE2 3.97Å; E115-Y131 HydrophobicContact CG-CE2 4.37Å; V118-Y131 HydrophobicContact CG2-CG 4.3Å; A127-Y131 WeakPolarHBondContact O-CB 3.41Å; A127-Y131 PolarHBondContact O-N 3.33Å; R128-Y131 PolarHBondContact O-N 3.21Å; M129-Y131 PolarHBondContact O-N 3.23Å; Y131-C134 PolarHBondContact O-N 3.28Å; Y131-N135 VanDerWaalsContact O-CB 3.24Å; Y131-N135 WeakPolarHBondContact O-CB 3.34Å; Y131-N135 PolarHBondContact O-N 3.24Å
132	Q	90.8	Very high	87.4	Confident	111 Å²	111	69.8 Å²	69.8	52%	0.519	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-46.4	-178.5	-74.6	173.7	-19.7	0	0	111.8	R128 M129 N135 K136	R128-Q132 VanDerWaalsContact O-CG 3.31Å; R128-Q132 WeakPolarHBondContact O-CG 3.31Å; R128-Q132 PolarHBondContact O-N 3.08Å; M129-Q132 PolarHBondContact O-N 3.05Å; Q132-N135 PolarHBondContact O-N 3.49Å; Q132-K136 WeakPolarHBondContact O-CB 3.49Å; Q132-K136 PolarHBondContact O-N 3.41Å
133	E	85.9	Confident	87.1	Confident	51 Å²	51	72.5 Å²	72.5	24%	0.238	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-45.1	176.9	-73.6	-54.3	133.4	0	0	112	M129 N135 K136 I137 L488	M129-E133 PolarHBondContact O-N 3.12Å; E133-N135 VanDerWaalsContact C-N 3.33Å; E133-N135 PolarHBondContact O-N 2.85Å; E133-K136 WeakPolarHBondContact O-CB 3.49Å; E133-K136 PolarHBondContact O-N 2.86Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 3.48Å; E133-I137 VanDerWaalsContact O-N 3.09Å; E133-L488 HydrophobicContact CB-CD1 3.54Å; E133-L488 HydrophobicContact CB-CD2 4.25Å; E133-L488 HydrophobicContact CB-CG 3.93Å; E133-L488 HydrophobicContact CG-CD1 4.35Å; E133-L488 HydrophobicContact CG-CD2 4.38Å; E133-L488 HydrophobicContact CG-CG 4.2Å
134	C	89.9	Confident	86.5	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-42.9	175.8	-170.4	0	0	0	0	111.6	M102 F107 L111 Y114 K130 Y131 K136 I137 V138	M102-C134 HydrophobicContact SD-CB 4.16Å; F107-C134 PolarHBondContact O-SG 3.49Å; F107-C134 VanDerWaalsContact O-SG 3.39Å; L111-C134 HydrophobicContact CD1-CB 4.3Å; Y114-C134 HydrophobicContact CD2-CB 3.88Å; Y114-C134 HydrophobicContact CE2-CB 4.16Å; K130-C134 WeakPolarHBondContact O-CB 3.37Å; K130-C134 PolarHBondContact O-N 3.22Å; Y131-C134 PolarHBondContact O-N 3.28Å; C134-K136 PolarHBondContact O-N 3.4Å; C134-I137 PolarHBondContact O-N 3.41Å; C134-V138 WeakPolarHBondContact O-CG2 3.4Å; C134-V138 PolarHBondContact O-N 3.17Å
135	N	92.4	Very high	86	Confident	38 Å²	38	75.3 Å²	75.3	20%	0.203	34%	0.341	C	S	.	.	H	α-helix	trans	-63.2	-40.5	177.6	-170.8	25.1	0	0	0	111.9	L111 Y131 Q132 E133 I137 V138 K139	L111-N135 HydrophobicContact CD1-CB 3.84Å; Y131-N135 VanDerWaalsContact O-CB 3.24Å; Y131-N135 WeakPolarHBondContact O-CB 3.34Å; Y131-N135 PolarHBondContact O-N 3.24Å; Q132-N135 PolarHBondContact O-N 3.49Å; E133-N135 VanDerWaalsContact C-N 3.33Å; E133-N135 PolarHBondContact O-N 2.85Å; N135-I137 VanDerWaalsContact C-N 3.35Å; N135-I137 PolarHBondContact O-N 3.26Å; N135-V138 PolarHBondContact O-N 3.08Å; N135-K139 WeakPolarHBondContact O-CB 3.38Å; N135-K139 WeakPolarHBondContact O-CG 3.04Å; N135-K139 PolarHBondContact O-N 2.94Å; N135-K139 WeakPolarHBondContact OD1-CE 3.24Å
136	K	89.1	Confident	85.5	Confident	129 Å²	129	71.4 Å²	71.4	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-58.6	-47.2	175.1	-177.2	-176.8	175.3	-172.6	0	111	Q132 E133 C134 K139 Q140	Q132-K136 WeakPolarHBondContact O-CB 3.49Å; Q132-K136 PolarHBondContact O-N 3.41Å; E133-K136 WeakPolarHBondContact O-CB 3.49Å; E133-K136 PolarHBondContact O-N 2.86Å; C134-K136 PolarHBondContact O-N 3.4Å; K136-K139 PolarHBondContact O-N 2.88Å; K136-Q140 WeakPolarHBondContact O-CB 3.47Å; K136-Q140 PolarHBondContact O-N 2.93Å
137	I	85.1	Confident	84.9	Confident	17 Å²	17	74 Å²	74	9%	0.087	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-44.3	178.7	-67	164.8	0	0	0	111.3	M102 F107 E133 C134 N135 K139 Q140 K141 M307	M102-I137 HydrophobicContact CE-CD1 3.28Å; F107-I137 HydrophobicContact CB-CG2 4.4Å; F107-I137 HydrophobicContact CD1-CG2 3.7Å; F107-I137 HydrophobicContact CD2-CG2 3.92Å; F107-I137 HydrophobicContact CE1-CG2 3.85Å; F107-I137 HydrophobicContact CE2-CG2 4.1Å; F107-I137 HydrophobicContact CG-CG2 3.71Å; F107-I137 HydrophobicContact CZ-CG2 4.03Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 3.48Å; E133-I137 VanDerWaalsContact O-N 3.09Å; C134-I137 PolarHBondContact O-N 3.41Å; N135-I137 VanDerWaalsContact C-N 3.35Å; N135-I137 PolarHBondContact O-N 3.26Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 3.4Å; I137-Q140 PolarHBondContact O-N 2.86Å; I137-K141 HydrophobicContact CG2-CD 4.18Å; I137-K141 PolarHBondContact O-N 2.93Å; I137-M307 HydrophobicContact CD1-SD 4.47Å
138	V	89.2	Confident	83.8	Confident	23 Å²	23	76.6 Å²	76.6	14%	0.139	37%	0.374	C	S	.	.	H	α-helix	trans	-59.8	-43.8	176.6	170.4	0	0	0	0	111.3	F107 K108 L111 C134 N135 A142	F107-V138 HydrophobicContact CB-CG2 3.57Å; K108-V138 HydrophobicContact CG-CG1 4.25Å; K108-V138 HydrophobicContact CG-CG2 4.48Å; L111-V138 HydrophobicContact CB-CG2 4.32Å; L111-V138 HydrophobicContact CD2-CB 4.2Å; L111-V138 HydrophobicContact CD2-CG1 4.2Å; L111-V138 HydrophobicContact CD2-CG2 4.06Å; C134-V138 WeakPolarHBondContact O-CG2 3.4Å; C134-V138 PolarHBondContact O-N 3.17Å; N135-V138 PolarHBondContact O-N 3.08Å; V138-A142 VanDerWaalsContact O-CB 3.27Å; V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 3.19Å
139	K	89	Confident	81.9	Confident	133 Å²	133	74.2 Å²	74.2	58%	0.578	38%	0.377	S	S	*	.	H	α-helix	trans	-64.3	-44.5	177.1	-74.9	179.6	179.2	-175.5	0	111.9	N135 K136 I137 A142 F143	N135-K139 WeakPolarHBondContact O-CB 3.38Å; N135-K139 WeakPolarHBondContact O-CG 3.04Å; N135-K139 PolarHBondContact O-N 2.94Å; N135-K139 WeakPolarHBondContact OD1-CE 3.24Å; K136-K139 PolarHBondContact O-N 2.88Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 3.4Å; K139-A142 PolarHBondContact O-N 2.78Å; K139-F143 WeakPolarHBondContact O-CB 3.18Å; K139-F143 PolarHBondContact O-N 3.13Å
140	Q	83.3	Confident	80	Confident	76 Å²	76	78.8 Å²	78.8	36%	0.355	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-49.2	177.4	-175.4	-177.8	-20.9	0	0	111.2	K136 I137 A142 F143 E144	K136-Q140 WeakPolarHBondContact O-CB 3.47Å; K136-Q140 PolarHBondContact O-N 2.93Å; I137-Q140 PolarHBondContact O-N 2.86Å; Q140-A142 VanDerWaalsContact C-N 3.33Å; Q140-A142 PolarHBondContact O-N 2.95Å; Q140-F143 WeakPolarHBondContact O-CB 3.46Å; Q140-F143 PolarHBondContact O-N 2.85Å; Q140-F143 VanDerWaalsContact O-N 3.16Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.32Å; Q140-E144 PolarHBondContact NE2-OE1 3.08Å; Q140-E144 WeakPolarHBondContact O-CG 3.32Å; Q140-E144 PolarHBondContact O-N 3.38Å
141	K	81.7	Confident	78.1	Confident	48 Å²	48	83.9 Å²	83.9	21%	0.209	43%	0.431	C	S	.	.	H	α-helix	trans	-65.9	-33.4	178	-76.1	-178.5	177.2	-102.7	0	113.4	F107 I137 R145 N303 Q306	F107-K141 HydrophobicContact CD2-CD 3.46Å; F107-K141 VanDerWaalsContact CD2-CD 3.46Å; F107-K141 HydrophobicContact CE2-CD 3.51Å; I137-K141 HydrophobicContact CG2-CD 4.18Å; I137-K141 PolarHBondContact O-N 2.93Å; K141-R145 WeakPolarHBondContact O-CB 3.48Å; K141-R145 PolarHBondContact O-N 3.05Å; K141-N303 PolarHBondContact NZ-OD1 3.43Å; K141-Q306 VanDerWaalsContact CE-OE1 3.26Å
142	A	85.1	Confident	76.3	Confident	52 Å²	52	90.6 Å²	90.6	43%	0.43	46%	0.462	S	S	.	.	H	α-helix	trans	-66.3	-40.7	173.3	0	0	0	0	0	111.3	V138 K139 Q140 R145 A146	V138-A142 VanDerWaalsContact O-CB 3.27Å; V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 3.19Å; K139-A142 PolarHBondContact O-N 2.78Å; Q140-A142 VanDerWaalsContact C-N 3.33Å; Q140-A142 PolarHBondContact O-N 2.95Å; A142-R145 PolarHBondContact O-N 3.04Å; A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 2.94Å
143	F	82.8	Confident	74.8	Confident	135 Å²	135	93.7 Å²	93.7	59%	0.592	47%	0.473	S	S	*	.	H	α-helix	trans	-63.9	-50	174	-179.4	-97.4	0	0	0	111.4	K139 Q140 R145 A146 I147	K139-F143 WeakPolarHBondContact O-CB 3.18Å; K139-F143 PolarHBondContact O-N 3.13Å; Q140-F143 WeakPolarHBondContact O-CB 3.46Å; Q140-F143 PolarHBondContact O-N 2.85Å; Q140-F143 VanDerWaalsContact O-N 3.16Å; F143-R145 VanDerWaalsContact C-N 3.26Å; F143-R145 PolarHBondContact O-N 2.64Å; F143-A146 PolarHBondContact O-N 3.49Å; F143-I147 HydrophobicContact CD1-CD1 4.26Å; F143-I147 HydrophobicContact CD1-CG2 4.47Å; F143-I147 HydrophobicContact CE1-CD1 3.99Å; F143-I147 HydrophobicContact CE1-CG2 4.07Å; F143-I147 HydrophobicContact CE2-CG2 4.24Å; F143-I147 HydrophobicContact CZ-CG2 3.94Å; F143-I147 WeakPolarHBondContact O-CG1 3.4Å; F143-I147 PolarHBondContact O-N 2.82Å
144	E	76.6	Confident	73.9	Confident	73 Å²	73	99.9 Å²	99.9	34%	0.341	50%	0.5	S	S	.	.	H	α-helix	trans	-55.5	-39.8	175.7	-73.1	167.7	-173.4	0	0	112.2	Q140 I147 A148	Q140-E144 WeakPolarHBondContact CG-OE1 3.32Å; Q140-E144 PolarHBondContact NE2-OE1 3.08Å; Q140-E144 WeakPolarHBondContact O-CG 3.32Å; Q140-E144 PolarHBondContact O-N 3.38Å; E144-I147 WeakPolarHBondContact O-CG1 3.27Å; E144-A148 WeakPolarHBondContact O-CB 3.06Å; E144-A148 PolarHBondContact O-N 3.47Å; E144-A148 VanDerWaalsContact O-N 3.12Å
145	R	76.9	Confident	73.4	Confident	187 Å²	187	101 Å²	101	71%	0.706	51%	0.508	S	S	*	.	H	α-helix	trans	-70.5	-36.9	175.2	-172.4	-179.8	-65.1	-164.3	-5	112.6	K141 A142 F143 I147 A148	K141-R145 WeakPolarHBondContact O-CB 3.48Å; K141-R145 PolarHBondContact O-N 3.05Å; A142-R145 PolarHBondContact O-N 3.04Å; F143-R145 VanDerWaalsContact C-N 3.26Å; F143-R145 PolarHBondContact O-N 2.64Å; R145-I147 VanDerWaalsContact C-N 3.32Å; R145-A148 PolarHBondContact O-N 3.24Å
146	A	75.5	Confident	72.8	Confident	85 Å²	85	99.9 Å²	99.9	70%	0.702	50%	0.502	S	S	*	.	H	α-helix	trans	-69.8	-30.3	179	0	0	0	0	0	112.6	A142 F143	A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 2.94Å; F143-A146 PolarHBondContact O-N 3.49Å
147	I	70.8	Confident	72.4	Confident	106 Å²	106	95.6 Å²	95.6	54%	0.544	49%	0.486	S	S	.	.	H	α-helix	trans	-86.3	-11.5	174.2	67.1	176.9	0	0	0	113.2	F143 E144 R145 S149	F143-I147 HydrophobicContact CD1-CD1 4.26Å; F143-I147 HydrophobicContact CD1-CG2 4.47Å; F143-I147 HydrophobicContact CE1-CD1 3.99Å; F143-I147 HydrophobicContact CE1-CG2 4.07Å; F143-I147 HydrophobicContact CE2-CG2 4.24Å; F143-I147 HydrophobicContact CZ-CG2 3.94Å; F143-I147 WeakPolarHBondContact O-CG1 3.4Å; F143-I147 PolarHBondContact O-N 2.82Å; E144-I147 WeakPolarHBondContact O-CG1 3.27Å; R145-I147 VanDerWaalsContact C-N 3.32Å; I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 2.96Å
148	A	62.7	Low	72.2	Confident	54 Å²	54	100.3 Å²	100.3	45%	0.446	51%	0.512	S	S	.	.			trans	-77.8	78.8	172.7	0	0	0	0	0	109.5	E144 R145	E144-A148 WeakPolarHBondContact O-CB 3.06Å; E144-A148 PolarHBondContact O-N 3.47Å; E144-A148 VanDerWaalsContact O-N 3.12Å; R145-A148 PolarHBondContact O-N 3.24Å
149	S	47.7	Very low	71.8	Confident	76 Å²	76	103.8 Å²	103.8	53%	0.531	54%	0.537	S	S	.	.			trans	-73.6	156.9	166.8	55.7	0	0	0	0	111	I147 D151	I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 2.96Å; S149-D151 PolarHBondContact O-N 3.37Å
150	D	47.9	Very low	71.5	Confident	178 Å²	178	99 Å²	99	95%	0.952	52%	0.518	S	S	*	.	S	Bend	trans	-64.8	8.5	176.1	-79.4	-37	0	0	0	114.7
151	D	47.4	Very low	71.7	Confident	127 Å²	127	100 Å²	100	68%	0.679	53%	0.526	S	S	*	.	S	Bend	trans	-78.2	136.5	171.4	-77.1	-42	0	0	0	109.3	S149 K153	S149-D151 PolarHBondContact O-N 3.37Å; D151-K153 PolarHBondContact O-N 2.87Å
152	K	53.1	Low	71.9	Confident	203 Å²	203	99 Å²	99	88%	0.883	52%	0.522	S	S	*	.			trans	-39.1	107.1	171	-74.8	177.5	176.6	178.8	0	109	K154	K152-K154 PolarHBondContact O-N 3.4Å
153	K	58.3	Low	71.8	Confident	176 Å²	176	105.1 Å²	105.1	77%	0.765	54%	0.542	S	S	*	.			trans	-47.5	113.2	176.8	-85.7	-177.6	175.4	-179.5	0	107.3	D151 S155	D151-K153 PolarHBondContact O-N 2.87Å; K153-S155 PolarHBondContact O-N 3.41Å
154	K	68.1	Low	72	Confident	182 Å²	182	102.2 Å²	102.2	79%	0.791	54%	0.538	S	S	*	.			trans	-57.8	124.8	170.2	-73.7	-175.2	178.1	-178.8	0	106.4	K152	K152-K154 PolarHBondContact O-N 3.4Å
155	S	79.2	Confident	72.7	Confident	24 Å²	24	100.5 Å²	100.5	17%	0.168	53%	0.531	C	S	.	.			trans	-61.2	141.9	179.3	163.8	0	0	0	0	107.6	K153 V157 D158 K212 E328	K153-S155 PolarHBondContact O-N 3.41Å; S155-V157 PolarHBondContact O-N 2.94Å; S155-V157 VanDerWaalsContact O-N 3.08Å; S155-V157 VanDerWaalsContact OG-CB 3.31Å; S155-V157 WeakPolarHBondContact OG-CB 3.38Å; S155-V157 WeakPolarHBondContact OG-CG2 3.37Å; S155-V157 PolarHBondContact OG-N 3.09Å; S155-D158 PolarHBondContact N-OD2 2.9Å; S155-D158 WeakPolarHBondContact O-CB 3.27Å; S155-D158 PolarHBondContact O-N 2.86Å; S155-K212 PolarHBondContact OG-NZ 3.36Å; S155-E328 PolarHBondContact OG-OE2 3.21Å
156	V	79.4	Confident	73.4	Confident	14 Å²	14	96.4 Å²	96.4	9%	0.085	53%	0.527	C	S	.	.	G	3₁₀ helix	trans	-53.6	-33.3	174.3	172.3	0	0	0	0	110.4	D158 S159 L160 Q324 L325 E328	V156-D158 PolarHBondContact O-N 3.4Å; V156-S159 PolarHBondContact O-N 3.23Å; V156-S159 PolarHBondContact O-OG 2.89Å; V156-L160 HydrophobicContact CG1-CD1 3.98Å; V156-L160 HydrophobicContact CG1-CG 4.19Å; V156-L160 WeakPolarHBondContact O-CG 3.45Å; V156-L160 PolarHBondContact O-N 2.68Å; V156-Q324 HydrophobicContact CG2-CB 3.61Å; V156-L325 HydrophobicContact CG1-CB 4.45Å; V156-E328 VanDerWaalsContact CG2-OE1 3.27Å; V156-E328 WeakPolarHBondContact CG2-OE1 3.5Å; V156-E328 PolarHBondContact N-OE1 2.93Å
157	V	80.6	Confident	74.2	Confident	38 Å²	38	94.4 Å²	94.4	23%	0.23	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-53.5	-36.3	174.5	-172.9	0	0	0	0	112.5	S155 S159 L160 V209 K212 L325	S155-V157 PolarHBondContact O-N 2.94Å; S155-V157 VanDerWaalsContact O-N 3.08Å; S155-V157 VanDerWaalsContact OG-CB 3.31Å; S155-V157 WeakPolarHBondContact OG-CB 3.38Å; S155-V157 WeakPolarHBondContact OG-CG2 3.37Å; S155-V157 PolarHBondContact OG-N 3.09Å; V157-S159 PolarHBondContact O-N 2.99Å; V157-S159 VanDerWaalsContact O-N 3.16Å; V157-L160 PolarHBondContact O-N 3.39Å; V157-V209 HydrophobicContact CG1-CG1 4.32Å; V157-V209 HydrophobicContact CG1-CG2 4Å; V157-V209 HydrophobicContact CG2-CG2 4Å; V157-K212 HydrophobicContact CG2-CD 4.41Å; V157-L325 HydrophobicContact CG2-CD1 3.57Å
158	D	80.5	Confident	75.3	Confident	116 Å²	116	93 Å²	93	62%	0.62	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-67.7	-18.1	-178.6	-53.9	-26.5	0	0	0	112.4	S155 V156	S155-D158 PolarHBondContact N-OD2 2.9Å; S155-D158 WeakPolarHBondContact O-CB 3.27Å; S155-D158 PolarHBondContact O-N 2.86Å; V156-D158 PolarHBondContact O-N 3.4Å
159	S	81.3	Confident	76.6	Confident	96 Å²	96	98.5 Å²	98.5	67%	0.671	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-100.5	-5.4	176.3	69.9	0	0	0	0	113.7	V156 V157	V156-S159 PolarHBondContact O-N 3.23Å; V156-S159 PolarHBondContact O-OG 2.89Å; V157-S159 PolarHBondContact O-N 2.99Å; V157-S159 VanDerWaalsContact O-N 3.16Å
160	L	83.5	Confident	78.8	Confident	33 Å²	33	101.2 Å²	101.2	17%	0.173	53%	0.525	C	S	.	.			trans	-97.8	114.7	-176.9	-70.1	174.6	0	0	0	110.7	V156 V157 I162 M165 Y205 L325	V156-L160 HydrophobicContact CG1-CD1 3.98Å; V156-L160 HydrophobicContact CG1-CG 4.19Å; V156-L160 WeakPolarHBondContact O-CG 3.45Å; V156-L160 PolarHBondContact O-N 2.68Å; V157-L160 PolarHBondContact O-N 3.39Å; L160-I162 HydrophobicContact CB-CG1 4.09Å; L160-I162 PolarHBondContact O-N 2.83Å; L160-M165 HydrophobicContact CD2-CE 4.37Å; L160-Y205 HydrophobicContact CD1-CD1 3.64Å; L160-Y205 HydrophobicContact CD1-CE1 3.62Å; L160-Y205 HydrophobicContact CD2-CE1 4.04Å; L160-L325 HydrophobicContact CD1-CD2 4.14Å
161	D	85.7	Confident	81.1	Confident	97 Å²	97	94 Å²	94	52%	0.519	49%	0.485	S	S	.	.			trans	-89.6	79.9	167.7	-172.7	-14.8	0	0	0	109.6	E163 S164	D161-E163 VanDerWaalsContact C-N 3.29Å; D161-E163 PolarHBondContact OD1-N 2.95Å; D161-S164 WeakPolarHBondContact CB-OG 3.38Å; D161-S164 PolarHBondContact O-OG 3.02Å; D161-S164 VanDerWaalsContact OD1-CB 3.29Å; D161-S164 WeakPolarHBondContact OD1-CB 3.12Å; D161-S164 PolarHBondContact OD1-N 2.82Å; D161-S164 PolarHBondContact OD1-OG 2.97Å; D161-S164 WeakPolarHBondContact OD2-CB 3.24Å; D161-S164 PolarHBondContact OD2-OG 3.4Å
162	I	86.1	Confident	83.5	Confident	27 Å²	27	93.7 Å²	93.7	14%	0.138	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-30.3	-179.2	-58.8	173.2	0	0	0	111.3	L160 M165 K202 Q206 V209	L160-I162 HydrophobicContact CB-CG1 4.09Å; L160-I162 PolarHBondContact O-N 2.83Å; I162-M165 HydrophobicContact CG1-CE 4.46Å; I162-M165 WeakPolarHBondContact O-CB 3.06Å; I162-M165 PolarHBondContact O-N 3.01Å; I162-K202 HydrophobicContact CG2-CG 4.42Å; I162-K202 WeakPolarHBondContact O-CE 3.08Å; I162-Q206 HydrophobicContact CG2-CG 3.76Å; I162-V209 HydrophobicContact CD1-CB 4.37Å; I162-V209 HydrophobicContact CD1-CG2 3.51Å
163	E	83.6	Confident	85.6	Confident	181 Å²	181	84.5 Å²	84.5	85%	0.846	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-41.8	-179.7	-64	-173.1	174.3	0	0	110.9	D161 M165	D161-E163 VanDerWaalsContact C-N 3.29Å; D161-E163 PolarHBondContact OD1-N 2.95Å; E163-M165 VanDerWaalsContact C-N 3.27Å; E163-M165 PolarHBondContact O-N 3.44Å
164	S	87.6	Confident	87.5	Confident	73 Å²	73	76.6 Å²	76.6	51%	0.51	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17	176.1	74.2	0	0	0	0	114.9	D161 T166	D161-S164 WeakPolarHBondContact CB-OG 3.38Å; D161-S164 PolarHBondContact O-OG 3.02Å; D161-S164 VanDerWaalsContact OD1-CB 3.29Å; D161-S164 WeakPolarHBondContact OD1-CB 3.12Å; D161-S164 PolarHBondContact OD1-N 2.82Å; D161-S164 PolarHBondContact OD1-OG 2.97Å; D161-S164 WeakPolarHBondContact OD2-CB 3.24Å; D161-S164 PolarHBondContact OD2-OG 3.4Å; S164-T166 PolarHBondContact O-N 3.5Å
165	M	91.4	Very high	88.9	Confident	37 Å²	37	73 Å²	73	18%	0.182	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-64	122.9	-179.3	-67.2	-173.3	-174.7	0	0	110.2	L160 I162 E163 K202 Y205	L160-M165 HydrophobicContact CD2-CE 4.37Å; I162-M165 HydrophobicContact CG1-CE 4.46Å; I162-M165 WeakPolarHBondContact O-CB 3.06Å; I162-M165 PolarHBondContact O-N 3.01Å; E163-M165 VanDerWaalsContact C-N 3.27Å; E163-M165 PolarHBondContact O-N 3.44Å; M165-K202 HydrophobicContact CB-CB 4.25Å; M165-K202 HydrophobicContact CB-CD 4.04Å; M165-K202 HydrophobicContact CB-CG 3.99Å; M165-K202 VanDerWaalsContact O-CD 3.27Å; M165-K202 WeakPolarHBondContact O-CD 3.01Å; M165-K202 VanDerWaalsContact O-CE 3.26Å; M165-K202 WeakPolarHBondContact O-CE 3.43Å; M165-K202 PolarHBondContact O-NZ 3.39Å; M165-K202 HydrophobicContact SD-CB 4.48Å; M165-Y205 HydrophobicContact CE-CD2 3.66Å; M165-Y205 HydrophobicContact CE-CE2 3.83Å; M165-Y205 HydrophobicContact CE-CG 4.41Å; M165-Y205 HydrophobicContact SD-CD2 3.79Å; M165-Y205 HydrophobicContact SD-CE2 4.35Å
166	T	91.1	Very high	89.6	Confident	101 Å²	101	72.8 Å²	72.8	62%	0.62	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-87.9	146.4	171.3	54.3	0	0	0	0	110	S164 H200	S164-T166 PolarHBondContact O-N 3.5Å; T166-H200 PolarHBondContact O-CE1 3.02Å
167	I	92.9	Very high	90.3	Very high	44 Å²	44	78 Å²	78	23%	0.226	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-97.1	127.7	164.4	-56.3	-172.2	0	0	0	105.5	Y171 K175 K202	I167-Y171 HydrophobicContact CG2-CD1 3.56Å; I167-Y171 HydrophobicContact CG2-CE1 4.44Å; I167-Y171 HydrophobicContact CG2-CG 4.01Å; I167-K175 HydrophobicContact CD1-CG 4.39Å; I167-K202 HydrophobicContact CD1-CB 4.48Å; I167-K202 HydrophobicContact CD1-CD 4.12Å; I167-K202 HydrophobicContact CG1-CB 4.18Å; I167-K202 HydrophobicContact CG1-CD 3.76Å
168	E	92.3	Very high	90.8	Very high	77 Å²	77	83.7 Å²	83.7	36%	0.36	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-64.4	143.6	-179.7	-58	81.6	-175.7	0	0	111	D170 Y171 H200 R201	E168-D170 WeakPolarHBondContact CB-OD1 3.44Å; E168-D170 PolarHBondContact O-N 3.39Å; E168-Y171 WeakPolarHBondContact O-CB 3.23Å; E168-Y171 PolarHBondContact O-N 3.15Å; E168-H200 IonicContact OE1-NE2 2.65Å; E168-H200 IonicContact OE2-CD2 3.52Å; E168-H200 PolarHBondContact OE2-CD2 2.91Å; E168-H200 IonicContact OE2-NE2 3.33Å; E168-H200 PolarHBondContact OE2-NE2 3.28Å; E168-R201 IonicContact OE1-NH2 3.62Å; E168-R201 PolarHBondContact OE1-NH2 2.93Å
169	D	91.4	Very high	91.3	Very high	169 Å²	169	79 Å²	79	90%	0.904	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-25	-174.2	-69.3	-34	0	0	0	113.1	Y171	D169-Y171 VanDerWaalsContact C-N 3.32Å
170	D	93.6	Very high	91.9	Very high	133 Å²	133	81.2 Å²	81.2	71%	0.711	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.3	177	66.6	-20.5	0	0	0	113.4	E168 V172	E168-D170 WeakPolarHBondContact CB-OD1 3.44Å; E168-D170 PolarHBondContact O-N 3.39Å; D170-V172 PolarHBondContact O-N 3.05Å; D170-V172 VanDerWaalsContact O-N 3.14Å
171	Y	96.4	Very high	92.7	Very high	26 Å²	26	80.4 Å²	80.4	10%	0.102	42%	0.424	C	S	.	.			trans	-75.1	105.1	172.8	179.5	-99.5	0	0	0	110.9	I167 E168 D169 G173 P174 K175 W192 H200	I167-Y171 HydrophobicContact CG2-CD1 3.56Å; I167-Y171 HydrophobicContact CG2-CE1 4.44Å; I167-Y171 HydrophobicContact CG2-CG 4.01Å; E168-Y171 WeakPolarHBondContact O-CB 3.23Å; E168-Y171 PolarHBondContact O-N 3.15Å; D169-Y171 VanDerWaalsContact C-N 3.32Å; Y171-G173 VanDerWaalsContact CE1-C 3.45Å; Y171-G173 VanDerWaalsContact CE1-O 3.28Å; Y171-G173 WeakPolarHBondContact CE1-O 3.44Å; Y171-G173 VanDerWaalsContact CZ-CA 3.41Å; Y171-P174 VanDerWaalsContact CE1-O 3.31Å; Y171-P174 WeakPolarHBondContact CE1-O 3.36Å; Y171-P174 PolarHBondContact OH-O 2.7Å; Y171-K175 HydrophobicContact CD1-CG 4.3Å; Y171-K175 HydrophobicContact CE1-CG 3.99Å; Y171-K175 VanDerWaalsContact O-CE 3.25Å; Y171-K175 WeakPolarHBondContact O-CE 3.49Å; Y171-K175 PolarHBondContact O-NZ 3.3Å; Y171-K175 VanDerWaalsContact O-NZ 3.11Å; Y171-W192 HydrophobicContact CE2-CZ2 4.4Å; Y171-H200 HydrophobicContact CD1-CB 4.04Å; Y171-H200 HydrophobicContact CD2-CB 4.04Å; Y171-H200 HydrophobicContact CE1-CB 3.66Å; Y171-H200 HydrophobicContact CE2-CB 3.66Å; Y171-H200 HydrophobicContact CG-CB 4.21Å; Y171-H200 VanDerWaalsContact CZ-CB 3.44Å; Y171-H200 PolarHBondContact OH-N 2.81Å; Y171-H200 VanDerWaalsContact OH-N 3.1Å
172	V	96.6	Very high	93.3	Very high	121 Å²	121	77.4 Å²	77.4	73%	0.733	41%	0.409	S	S	*	.			trans	-96.7	5	178	-59.9	0	0	0	0	113.6	D170 W192	D170-V172 PolarHBondContact O-N 3.05Å; D170-V172 VanDerWaalsContact O-N 3.14Å; V172-W192 HydrophobicContact CG2-CH2 3.91Å; V172-W192 HydrophobicContact CG2-CZ3 4.38Å
173	G	97.6	Very high	93.9	Very high	10 Å²	10	79.1 Å²	79.1	10%	0.103	42%	0.418	C	S	.	.	S	Bend	trans	-78.2	-178.6	179.6	0	0	0	0	0	113.3	Y171	Y171-G173 VanDerWaalsContact CE1-C 3.45Å; Y171-G173 VanDerWaalsContact CE1-O 3.28Å; Y171-G173 WeakPolarHBondContact CE1-O 3.44Å; Y171-G173 VanDerWaalsContact CZ-CA 3.41Å
174	P	98.1	Very high	94.6	Very high	9 Å²	9	75.9 Å²	75.9	6%	0.058	40%	0.403	C	S	.	.			trans	-58.1	138.3	-179.8	-17.4	24.9	0	0	0	112.3	Y171 F185 D188 M189 W192 L199	Y171-P174 VanDerWaalsContact CE1-O 3.31Å; Y171-P174 WeakPolarHBondContact CE1-O 3.36Å; Y171-P174 PolarHBondContact OH-O 2.7Å; P174-F185 HydrophobicContact CB-CD2 3.84Å; P174-F185 HydrophobicContact CB-CE2 3.67Å; P174-D188 HydrophobicContact CB-CB 4.27Å; P174-D188 HydrophobicContact CG-CB 4.16Å; P174-M189 HydrophobicContact CB-CB 4.27Å; P174-M189 HydrophobicContact CG-CB 4.08Å; P174-W192 HydrophobicContact CG-CB 3.84Å; P174-W192 HydrophobicContact CG-CG 4.03Å; P174-L199 HydrophobicContact CB-CD1 4.15Å; P174-L199 HydrophobicContact CG-CD1 4.44Å
175	K	97.4	Very high	95.1	Very high	106 Å²	106	72.6 Å²	72.6	46%	0.461	38%	0.379	S	S	.	.			trans	-127.7	139.8	177.2	-63	174.4	-173.9	176.4	0	109	I167 Y171 F185	I167-K175 HydrophobicContact CD1-CG 4.39Å; Y171-K175 HydrophobicContact CD1-CG 4.3Å; Y171-K175 HydrophobicContact CE1-CG 3.99Å; Y171-K175 VanDerWaalsContact O-CE 3.25Å; Y171-K175 WeakPolarHBondContact O-CE 3.49Å; Y171-K175 PolarHBondContact O-NZ 3.3Å; Y171-K175 VanDerWaalsContact O-NZ 3.11Å; K175-F185 VanDerWaalsContact C-CD2 3.49Å; K175-F185 VanDerWaalsContact O-CD2 3.26Å; K175-F185 WeakPolarHBondContact O-CD2 3.47Å
176	L	95.5	Very high	95.4	Very high	20 Å²	20	70.8 Å²	70.8	11%	0.105	37%	0.371	C	S	.	.			trans	-67.2	140.8	173.7	-65.3	171.3	0	0	0	110.1	K180 V181 F185 C203 Q206 I207	L176-K180 WeakPolarHBondContact CD2-O 3.12Å; L176-V181 HydrophobicContact CD2-CB 4.38Å; L176-V181 HydrophobicContact CD2-CG2 3.66Å; L176-F185 HydrophobicContact CD2-CD1 3.86Å; L176-F185 HydrophobicContact CD2-CD2 4.05Å; L176-F185 HydrophobicContact CD2-CE1 3.63Å; L176-F185 HydrophobicContact CD2-CE2 3.82Å; L176-F185 HydrophobicContact CD2-CG 4.05Å; L176-F185 HydrophobicContact CD2-CZ 3.6Å; L176-F185 HydrophobicContact CG-CE2 4.12Å; L176-F185 HydrophobicContact CG-CZ 4.18Å; L176-C203 HydrophobicContact CD1-CB 4.39Å; L176-C203 HydrophobicContact CG-CB 4.36Å; L176-Q206 HydrophobicContact CD1-CB 3.49Å; L176-Q206 VanDerWaalsContact CD1-CB 3.49Å; L176-Q206 HydrophobicContact CD1-CG 4.33Å; L176-I207 HydrophobicContact CD1-CG1 4.43Å; L176-I207 HydrophobicContact CD2-CG1 4.49Å
177	E	92.9	Very high	95.8	Very high	125 Å²	125	70 Å²	70	58%	0.584	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-86.7	111.5	177	-173.9	178.5	178.8	0	0	108.7	G179 K180 T182	E177-G179 PolarHBondContact O-N 2.98Å; E177-G179 VanDerWaalsContact O-N 3.09Å; E177-K180 PolarHBondContact N-O 2.79Å; E177-K180 WeakPolarHBondContact O-CA 3.41Å; E177-K180 WeakPolarHBondContact O-CB 3.37Å; E177-K180 PolarHBondContact O-N 3.16Å; E177-T182 HydrophobicContact CB-CG2 4.13Å; E177-T182 WeakPolarHBondContact OE2-CG2 3.44Å
178	D	90.9	Very high	96.1	Very high	156 Å²	156	71.1 Å²	71.1	83%	0.834	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	35.8	-173	-61.4	-31.9	0	0	0	113.6	K180	D178-K180 PolarHBondContact O-N 3.01Å
179	G	90.8	Very high	96.4	Very high	18 Å²	18	67.5 Å²	67.5	19%	0.186	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	1.5	-177.2	0	0	0	0	0	114.8	E177 Q210	E177-G179 PolarHBondContact O-N 2.98Å; E177-G179 VanDerWaalsContact O-N 3.09Å; G179-Q210 PolarHBondContact O-NE2 3.1Å; G179-Q210 PolarHBondContact O-OE1 3.37Å
180	K	95.8	Very high	96.8	Very high	143 Å²	143	60 Å²	60	62%	0.622	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-96.6	146.8	179.1	-62.4	179.1	-179.4	175	0	111.8	L176 E177 D178	L176-K180 WeakPolarHBondContact CD2-O 3.12Å; E177-K180 PolarHBondContact N-O 2.79Å; E177-K180 WeakPolarHBondContact O-CA 3.41Å; E177-K180 WeakPolarHBondContact O-CB 3.37Å; E177-K180 PolarHBondContact O-N 3.16Å; D178-K180 PolarHBondContact O-N 3.01Å
181	V	98.3	Very high	97	Very high	16 Å²	16	58.4 Å²	58.4	10%	0.097	30%	0.299	C	S	.	.			trans	-79.3	130.9	170.1	177.1	0	0	0	0	108.8	L176 F185 M186 I207 L286 L287	L176-V181 HydrophobicContact CD2-CB 4.38Å; L176-V181 HydrophobicContact CD2-CG2 3.66Å; V181-F185 HydrophobicContact CG1-CD1 4.06Å; V181-M186 HydrophobicContact CG1-CG 3.73Å; V181-M186 HydrophobicContact CG1-SD 3.57Å; V181-M186 VanDerWaalsContact CG1-SD 3.57Å; V181-I207 HydrophobicContact CG2-CG1 4.29Å; V181-L286 HydrophobicContact CB-CB 4.17Å; V181-L286 HydrophobicContact CG2-CB 3.94Å; V181-L286 HydrophobicContact CG2-CD1 3.76Å; V181-L287 HydrophobicContact CG1-CB 4.09Å
182	T	98.6	Very high	97.1	Very high	34 Å²	34	59.3 Å²	59.3	21%	0.209	30%	0.303	C	S	.	.			trans	-122.8	163.1	174.2	68.5	0	0	0	0	110.6	E177 Q184 F185 M186	E177-T182 HydrophobicContact CB-CG2 4.13Å; E177-T182 WeakPolarHBondContact OE2-CG2 3.44Å; T182-Q184 PolarHBondContact O-N 2.91Å; T182-F185 WeakPolarHBondContact O-CB 3.36Å; T182-F185 PolarHBondContact O-N 3.38Å; T182-F185 PolarHBondContact OG1-N 3.14Å; T182-M186 WeakPolarHBondContact O-CG 3.49Å; T182-M186 PolarHBondContact O-N 2.71Å
183	L	98.4	Very high	97.2	Very high	63 Å²	63	53.7 Å²	53.7	33%	0.33	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-36.3	176.5	-179.6	60.9	0	0	0	112.1	M186 K187 L287	L183-M186 PolarHBondContact O-N 3.47Å; L183-K187 WeakPolarHBondContact O-CG 3.18Å; L183-K187 PolarHBondContact O-N 3.34Å; L183-L287 HydrophobicContact CB-CD2 4.11Å; L183-L287 HydrophobicContact CD1-CD2 4.2Å
184	Q	98.6	Very high	97.3	Very high	112 Å²	112	57.5 Å²	57.5	52%	0.523	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-47.9	176.5	-171.9	59.2	46.9	0	0	110.8	T182 M186 K187 D188	T182-Q184 PolarHBondContact O-N 2.91Å; Q184-M186 VanDerWaalsContact C-N 3.27Å; Q184-M186 PolarHBondContact O-N 3.39Å; Q184-K187 PolarHBondContact O-N 2.81Å; Q184-K187 VanDerWaalsContact O-N 3.16Å; Q184-D188 PolarHBondContact NE2-OD1 3.38Å; Q184-D188 PolarHBondContact NE2-OD2 2.88Å; Q184-D188 VanDerWaalsContact O-CG 3.23Å; Q184-D188 PolarHBondContact O-N 2.84Å
185	F	98.7	Very high	97.3	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-55.1	-43	173.7	170.8	-92.5	0	0	0	112.1	P174 K175 L176 V181 T182 D188 M189 L199 I207	P174-F185 HydrophobicContact CB-CD2 3.84Å; P174-F185 HydrophobicContact CB-CE2 3.67Å; K175-F185 VanDerWaalsContact C-CD2 3.49Å; K175-F185 VanDerWaalsContact O-CD2 3.26Å; K175-F185 WeakPolarHBondContact O-CD2 3.47Å; L176-F185 HydrophobicContact CD2-CD1 3.86Å; L176-F185 HydrophobicContact CD2-CD2 4.05Å; L176-F185 HydrophobicContact CD2-CE1 3.63Å; L176-F185 HydrophobicContact CD2-CE2 3.82Å; L176-F185 HydrophobicContact CD2-CG 4.05Å; L176-F185 HydrophobicContact CD2-CZ 3.6Å; L176-F185 HydrophobicContact CG-CE2 4.12Å; L176-F185 HydrophobicContact CG-CZ 4.18Å; V181-F185 HydrophobicContact CG1-CD1 4.06Å; T182-F185 WeakPolarHBondContact O-CB 3.36Å; T182-F185 PolarHBondContact O-N 3.38Å; T182-F185 PolarHBondContact OG1-N 3.14Å; F185-D188 PolarHBondContact O-N 2.85Å; F185-M189 HydrophobicContact CE1-CB 4.42Å; F185-M189 HydrophobicContact CE1-CE 4.33Å; F185-M189 HydrophobicContact CE1-SD 3.8Å; F185-M189 HydrophobicContact CZ-CB 4.48Å; F185-M189 HydrophobicContact CZ-SD 3.88Å; F185-M189 WeakPolarHBondContact O-CB 3.29Å; F185-M189 PolarHBondContact O-N 2.96Å; F185-L199 HydrophobicContact CE2-CD1 4.13Å; F185-L199 HydrophobicContact CZ-CD1 4.01Å; F185-L199 HydrophobicContact CZ-CD2 4.4Å; F185-I207 HydrophobicContact CE1-CD1 4.03Å; F185-I207 HydrophobicContact CZ-CD1 4.04Å
186	M	98.8	Very high	97.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-44.5	178.5	-71.3	-52.8	-61.6	0	0	112.3	V181 T182 L183 Q184 M189 M190 T280 G283 F284 L287	V181-M186 HydrophobicContact CG1-CG 3.73Å; V181-M186 HydrophobicContact CG1-SD 3.57Å; V181-M186 VanDerWaalsContact CG1-SD 3.57Å; T182-M186 WeakPolarHBondContact O-CG 3.49Å; T182-M186 PolarHBondContact O-N 2.71Å; L183-M186 PolarHBondContact O-N 3.47Å; Q184-M186 VanDerWaalsContact C-N 3.27Å; Q184-M186 PolarHBondContact O-N 3.39Å; M186-M189 HydrophobicContact CE-CE 3.61Å; M186-M189 PolarHBondContact O-N 3.32Å; M186-M189 HydrophobicContact SD-CE 3.82Å; M186-M190 WeakPolarHBondContact O-CB 3.29Å; M186-M190 WeakPolarHBondContact O-CG 3.38Å; M186-M190 PolarHBondContact O-N 3.09Å; M186-T280 HydrophobicContact CE-CG2 4.25Å; M186-T280 VanDerWaalsContact CE-O 3.27Å; M186-T280 WeakPolarHBondContact CE-O 3.26Å; M186-G283 VanDerWaalsContact SD-C 3.55Å; M186-G283 WeakPolarHBondContact SD-CA 3.47Å; M186-F284 HydrophobicContact CB-CE1 4.2Å; M186-F284 HydrophobicContact CB-CZ 4.2Å; M186-F284 HydrophobicContact CE-CD1 4.19Å; M186-F284 HydrophobicContact CE-CD2 3.57Å; M186-F284 HydrophobicContact CE-CE1 4.26Å; M186-F284 HydrophobicContact CE-CE2 3.64Å; M186-F284 HydrophobicContact CE-CG 3.85Å; M186-F284 HydrophobicContact CE-CZ 3.98Å; M186-F284 HydrophobicContact CG-CD1 4.44Å; M186-F284 HydrophobicContact CG-CE1 4.24Å; M186-L287 HydrophobicContact CG-CD2 3.79Å
187	K	98.8	Very high	97.5	Very high	84 Å²	84	64.8 Å²	64.8	37%	0.365	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-49.3	176.8	-71.5	176.5	177.2	-177.8	0	111.4	L183 Q184 M189 M190 D191	L183-K187 WeakPolarHBondContact O-CG 3.18Å; L183-K187 PolarHBondContact O-N 3.34Å; Q184-K187 PolarHBondContact O-N 2.81Å; Q184-K187 VanDerWaalsContact O-N 3.16Å; K187-M189 VanDerWaalsContact C-N 3.29Å; K187-M189 PolarHBondContact O-N 2.99Å; K187-M190 HydrophobicContact CG-CE 4.36Å; K187-M190 PolarHBondContact O-N 3.18Å; K187-M190 VanDerWaalsContact O-N 3.14Å; K187-D191 PolarHBondContact O-N 3.37Å
188	D	98.8	Very high	97.7	Very high	68 Å²	68	64 Å²	64	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-40.4	179.2	-61.5	-19.2	0	0	0	111.3	P174 Q184 F185 W192	P174-D188 HydrophobicContact CB-CB 4.27Å; P174-D188 HydrophobicContact CG-CB 4.16Å; Q184-D188 PolarHBondContact NE2-OD1 3.38Å; Q184-D188 PolarHBondContact NE2-OD2 2.88Å; Q184-D188 VanDerWaalsContact O-CG 3.23Å; Q184-D188 PolarHBondContact O-N 2.84Å; F185-D188 PolarHBondContact O-N 2.85Å; D188-W192 VanDerWaalsContact O-CB 3.23Å; D188-W192 WeakPolarHBondContact O-CB 3.42Å; D188-W192 PolarHBondContact O-N 3.35Å
189	M	98.8	Very high	98.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-40.4	176	-175	-179.3	70.8	0	0	112.4	P174 F185 M186 K187 W192 F193 L199 I207	P174-M189 HydrophobicContact CB-CB 4.27Å; P174-M189 HydrophobicContact CG-CB 4.08Å; F185-M189 HydrophobicContact CE1-CB 4.42Å; F185-M189 HydrophobicContact CE1-CE 4.33Å; F185-M189 HydrophobicContact CE1-SD 3.8Å; F185-M189 HydrophobicContact CZ-CB 4.48Å; F185-M189 HydrophobicContact CZ-SD 3.88Å; F185-M189 WeakPolarHBondContact O-CB 3.29Å; F185-M189 PolarHBondContact O-N 2.96Å; M186-M189 HydrophobicContact CE-CE 3.61Å; M186-M189 PolarHBondContact O-N 3.32Å; M186-M189 HydrophobicContact SD-CE 3.82Å; K187-M189 VanDerWaalsContact C-N 3.29Å; K187-M189 PolarHBondContact O-N 2.99Å; M189-W192 WeakPolarHBondContact O-CB 3.31Å; M189-W192 PolarHBondContact O-N 3.29Å; M189-F193 HydrophobicContact CE-CE2 4.17Å; M189-F193 HydrophobicContact CG-CD2 3.94Å; M189-F193 HydrophobicContact CG-CE1 4.44Å; M189-F193 HydrophobicContact CG-CE2 3.5Å; M189-F193 HydrophobicContact CG-CZ 3.79Å; M189-F193 WeakPolarHBondContact O-CG 3.46Å; M189-F193 PolarHBondContact O-N 3.41Å; M189-F193 HydrophobicContact SD-CE2 3.77Å; M189-F193 HydrophobicContact SD-CZ 4Å; M189-L199 HydrophobicContact CG-CD1 4.4Å; M189-L199 HydrophobicContact SD-CD1 4.4Å; M189-L199 HydrophobicContact SD-CD2 3.9Å; M189-I207 HydrophobicContact SD-CD1 4.41Å
190	M	98.8	Very high	98.4	Very high	13 Å²	13	56.4 Å²	56.4	6%	0.064	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-43.6	177.8	-76.2	-176.9	-59.2	0	0	111.9	M186 K187 F193 K194 Y242 L246 F249 L254 T280 F284	M186-M190 WeakPolarHBondContact O-CB 3.29Å; M186-M190 WeakPolarHBondContact O-CG 3.38Å; M186-M190 PolarHBondContact O-N 3.09Å; K187-M190 HydrophobicContact CG-CE 4.36Å; K187-M190 PolarHBondContact O-N 3.18Å; K187-M190 VanDerWaalsContact O-N 3.14Å; M190-F193 PolarHBondContact O-N 3.12Å; M190-K194 WeakPolarHBondContact O-CB 3.45Å; M190-K194 PolarHBondContact O-N 2.89Å; M190-Y242 WeakPolarHBondContact CA-OH 3.44Å; M190-Y242 PolarHBondContact O-OH 2.66Å; M190-L246 HydrophobicContact CB-CD2 4.09Å; M190-L246 HydrophobicContact CG-CD2 4.05Å; M190-L246 HydrophobicContact SD-CD2 3.89Å; M190-F249 HydrophobicContact SD-CD2 4.13Å; M190-F249 HydrophobicContact SD-CE2 4.38Å; M190-L254 HydrophobicContact CE-CD2 3.7Å; M190-L254 HydrophobicContact SD-CD2 4.19Å; M190-T280 HydrophobicContact CG-CG2 3.91Å; M190-T280 HydrophobicContact SD-CG2 4.1Å; M190-F284 HydrophobicContact CE-CE2 4.41Å; M190-F284 HydrophobicContact CE-CZ 3.99Å; M190-F284 HydrophobicContact SD-CE2 3.85Å; M190-F284 HydrophobicContact SD-CZ 4.04Å
191	D	98.6	Very high	98.5	Very high	98 Å²	98	55.4 Å²	55.4	52%	0.524	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-40.8	175.3	-71.9	-22.2	0	0	0	111.4	K187 F193 K194 D195	K187-D191 PolarHBondContact O-N 3.37Å; D191-F193 VanDerWaalsContact C-N 3.35Å; D191-F193 PolarHBondContact O-N 3.33Å; D191-K194 WeakPolarHBondContact O-CB 3.49Å; D191-K194 PolarHBondContact O-N 3.44Å; D191-D195 PolarHBondContact O-N 3.29Å; D191-D195 VanDerWaalsContact O-N 3.1Å
192	W	98.7	Very high	98.4	Very high	46 Å²	46	56.7 Å²	56.7	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-44.1	176.3	-166.9	-107.3	0	0	0	112.4	Y171 V172 P174 D188 M189 D195 K197 K198	Y171-W192 HydrophobicContact CE2-CZ2 4.4Å; V172-W192 HydrophobicContact CG2-CH2 3.91Å; V172-W192 HydrophobicContact CG2-CZ3 4.38Å; P174-W192 HydrophobicContact CG-CB 3.84Å; P174-W192 HydrophobicContact CG-CG 4.03Å; D188-W192 VanDerWaalsContact O-CB 3.23Å; D188-W192 WeakPolarHBondContact O-CB 3.42Å; D188-W192 PolarHBondContact O-N 3.35Å; M189-W192 WeakPolarHBondContact O-CB 3.31Å; M189-W192 PolarHBondContact O-N 3.29Å; W192-D195 PolarHBondContact O-N 3.14Å; W192-K197 HydrophobicContact CD2-CB 3.59Å; W192-K197 HydrophobicContact CD2-CD 3.57Å; W192-K197 HydrophobicContact CD2-CG 4.24Å; W192-K197 HydrophobicContact CE3-CB 4.32Å; W192-K197 HydrophobicContact CE3-CD 3.4Å; W192-K197 HydrophobicContact CG-CB 3.81Å; W192-K197 HydrophobicContact CG-CD 4.41Å; W192-K197 HydrophobicContact CH2-CB 4.44Å; W192-K197 HydrophobicContact CH2-CD 3.51Å; W192-K197 HydrophobicContact CZ2-CB 3.73Å; W192-K197 HydrophobicContact CZ2-CD 3.68Å; W192-K197 HydrophobicContact CZ2-CG 4.24Å; W192-K197 HydrophobicContact CZ3-CD 3.37Å; W192-K197 VanDerWaalsContact NE1-CB 3.28Å; W192-K197 WeakPolarHBondContact O-CB 3.38Å; W192-K197 PolarHBondContact O-N 3.43Å; W192-K198 VanDerWaalsContact NE1-C 3.32Å; W192-K198 PolarHBondContact NE1-O 2.76Å
193	F	98.8	Very high	98.4	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-70.8	-34.1	175.7	-71	-22.7	0	0	0	112.9	M189 M190 D191 D195 Q196 K197 L199 Y242 E276 L279	M189-F193 HydrophobicContact CE-CE2 4.17Å; M189-F193 HydrophobicContact CG-CD2 3.94Å; M189-F193 HydrophobicContact CG-CE1 4.44Å; M189-F193 HydrophobicContact CG-CE2 3.5Å; M189-F193 HydrophobicContact CG-CZ 3.79Å; M189-F193 WeakPolarHBondContact O-CG 3.46Å; M189-F193 PolarHBondContact O-N 3.41Å; M189-F193 HydrophobicContact SD-CE2 3.77Å; M189-F193 HydrophobicContact SD-CZ 4Å; M190-F193 PolarHBondContact O-N 3.12Å; D191-F193 VanDerWaalsContact C-N 3.35Å; D191-F193 PolarHBondContact O-N 3.33Å; F193-D195 PolarHBondContact O-N 3.42Å; F193-Q196 WeakPolarHBondContact O-CA 3.34Å; F193-Q196 PolarHBondContact O-N 3.01Å; F193-K197 WeakPolarHBondContact CD1-O 3.44Å; F193-L199 HydrophobicContact CE1-CB 3.79Å; F193-L199 HydrophobicContact CZ-CB 3.87Å; F193-Y242 HydrophobicContact CB-CD1 4.33Å; F193-Y242 HydrophobicContact CB-CE1 3.48Å; F193-Y242 VanDerWaalsContact CB-CE1 3.48Å; F193-Y242 HydrophobicContact CB-CE2 4.27Å; F193-Y242 VanDerWaalsContact CB-CZ 3.46Å; F193-Y242 WeakPolarHBondContact CB-OH 3.36Å; F193-Y242 HydrophobicContact CD2-CE2 4.23Å; F193-E276 HydrophobicContact CB-CB 4.02Å; F193-E276 HydrophobicContact CB-CG 3.68Å; F193-E276 HydrophobicContact CD1-CB 4.44Å; F193-E276 HydrophobicContact CD1-CG 3.71Å; F193-E276 HydrophobicContact CD2-CB 3.8Å; F193-E276 HydrophobicContact CD2-CG 3.98Å; F193-E276 HydrophobicContact CE1-CG 4.29Å; F193-E276 HydrophobicContact CE2-CB 4.34Å; F193-E276 HydrophobicContact CG-CB 3.86Å; F193-E276 HydrophobicContact CG-CG 3.53Å; F193-L279 HydrophobicContact CE2-CB 4.04Å; F193-L279 HydrophobicContact CZ-CB 4.1Å; F193-L279 HydrophobicContact CZ-CD1 3.97Å
194	K	98.5	Very high	98.4	Very high	90 Å²	90	52.1 Å²	52.1	39%	0.391	24%	0.239	S	C	.	.	H	α-helix	trans	-60.7	-32.1	174.4	-167	173.6	-173.6	165.4	0	111.4	M190 D191 Q196 Y243 L246 E250	M190-K194 WeakPolarHBondContact O-CB 3.45Å; M190-K194 PolarHBondContact O-N 2.89Å; D191-K194 WeakPolarHBondContact O-CB 3.49Å; D191-K194 PolarHBondContact O-N 3.44Å; K194-Q196 VanDerWaalsContact C-N 3.26Å; K194-Q196 PolarHBondContact O-N 3.33Å; K194-Y243 HydrophobicContact CG-CE1 4.18Å; K194-Y243 PolarHBondContact O-OH 3.29Å; K194-L246 HydrophobicContact CB-CD1 4.13Å; K194-L246 HydrophobicContact CD-CD1 4Å; K194-L246 HydrophobicContact CG-CD1 4.1Å; K194-E250 IonicContact NZ-OE1 2.79Å; K194-E250 PolarHBondContact NZ-OE1 3.06Å
195	D	98.5	Very high	98.3	Very high	98 Å²	98	47.4 Å²	47.4	52%	0.524	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	10.9	173.1	-74.7	-12.1	0	0	0	114.4	D191 W192 F193 K197	D191-D195 PolarHBondContact O-N 3.29Å; D191-D195 VanDerWaalsContact O-N 3.1Å; W192-D195 PolarHBondContact O-N 3.14Å; F193-D195 PolarHBondContact O-N 3.42Å; D195-K197 HydrophobicContact CB-CD 4Å; D195-K197 HydrophobicContact CB-CG 4.01Å; D195-K197 PolarHBondContact O-N 3.15Å; D195-K197 IonicContact OD2-NZ 3.34Å; D195-K197 PolarHBondContact OD2-NZ 2.73Å
196	Q	98.3	Very high	98.3	Very high	110 Å²	110	49.1 Å²	49.1	51%	0.514	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	23.6	-175.9	-50.9	-172.8	-96.3	0	0	114.7	F193 K194 P477	F193-Q196 WeakPolarHBondContact O-CA 3.34Å; F193-Q196 PolarHBondContact O-N 3.01Å; K194-Q196 VanDerWaalsContact C-N 3.26Å; K194-Q196 PolarHBondContact O-N 3.33Å; Q196-P477 VanDerWaalsContact CD-CG 3.47Å; Q196-P477 HydrophobicContact CG-CB 4.18Å; Q196-P477 HydrophobicContact CG-CG 3.72Å; Q196-P477 VanDerWaalsContact NE2-CB 3.34Å
197	K	98.4	Very high	98.3	Very high	80 Å²	80	49.1 Å²	49.1	35%	0.348	22%	0.224	S	C	.	.			trans	-90	158	177	-55.2	170.7	-175.3	144.9	0	109.8	W192 F193 D195	W192-K197 HydrophobicContact CD2-CB 3.59Å; W192-K197 HydrophobicContact CD2-CD 3.57Å; W192-K197 HydrophobicContact CD2-CG 4.24Å; W192-K197 HydrophobicContact CE3-CB 4.32Å; W192-K197 HydrophobicContact CE3-CD 3.4Å; W192-K197 HydrophobicContact CG-CB 3.81Å; W192-K197 HydrophobicContact CG-CD 4.41Å; W192-K197 HydrophobicContact CH2-CB 4.44Å; W192-K197 HydrophobicContact CH2-CD 3.51Å; W192-K197 HydrophobicContact CZ2-CB 3.73Å; W192-K197 HydrophobicContact CZ2-CD 3.68Å; W192-K197 HydrophobicContact CZ2-CG 4.24Å; W192-K197 HydrophobicContact CZ3-CD 3.37Å; W192-K197 VanDerWaalsContact NE1-CB 3.28Å; W192-K197 WeakPolarHBondContact O-CB 3.38Å; W192-K197 PolarHBondContact O-N 3.43Å; F193-K197 WeakPolarHBondContact CD1-O 3.44Å; D195-K197 HydrophobicContact CB-CD 4Å; D195-K197 HydrophobicContact CB-CG 4.01Å; D195-K197 PolarHBondContact O-N 3.15Å; D195-K197 IonicContact OD2-NZ 3.34Å; D195-K197 PolarHBondContact OD2-NZ 2.73Å
198	K	97.8	Very high	98.3	Very high	109 Å²	109	45.1 Å²	45.1	47%	0.474	21%	0.207	S	C	.	.			trans	-104.5	133.8	-173.3	-172.8	176.5	64.3	-175.8	0	111.1	W192 K317 Y318	W192-K198 VanDerWaalsContact NE1-C 3.32Å; W192-K198 PolarHBondContact NE1-O 2.76Å; K198-K317 HydrophobicContact CD-CB 4.04Å; K198-K317 WeakPolarHBondContact CD-O 3.49Å; K198-K317 WeakPolarHBondContact CE-O 3.37Å; K198-K317 PolarHBondContact NZ-O 3Å; K198-Y318 HydrophobicContact CD-CD1 4.42Å; K198-Y318 HydrophobicContact CD-CE1 4.05Å; K198-Y318 HydrophobicContact CG-CE1 4.06Å
199	L	98.6	Very high	98.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.202	C	C	.	.			trans	-65.4	141.2	172.8	-177.1	71.4	0	0	0	109.6	P174 F185 M189 F193 R201 C203 A204 I207 L279 Y318	P174-L199 HydrophobicContact CB-CD1 4.15Å; P174-L199 HydrophobicContact CG-CD1 4.44Å; F185-L199 HydrophobicContact CE2-CD1 4.13Å; F185-L199 HydrophobicContact CZ-CD1 4.01Å; F185-L199 HydrophobicContact CZ-CD2 4.4Å; M189-L199 HydrophobicContact CG-CD1 4.4Å; M189-L199 HydrophobicContact SD-CD1 4.4Å; M189-L199 HydrophobicContact SD-CD2 3.9Å; F193-L199 HydrophobicContact CE1-CB 3.79Å; F193-L199 HydrophobicContact CZ-CB 3.87Å; L199-R201 PolarHBondContact O-N 3.19Å; L199-C203 HydrophobicContact CD1-CB 4.03Å; L199-C203 HydrophobicContact CD2-CB 4.01Å; L199-C203 HydrophobicContact CG-CB 3.96Å; L199-A204 HydrophobicContact CD2-CB 4.35Å; L199-I207 HydrophobicContact CD2-CD1 3.91Å; L199-L279 HydrophobicContact CD2-CD1 4.34Å; L199-Y318 WeakPolarHBondContact O-CE1 3.5Å; L199-Y318 PolarHBondContact O-OH 3.46Å
200	H	98.4	Very high	98.2	Very high	14 Å²	14	46.9 Å²	46.9	7%	0.065	22%	0.216	C	C	.	.			trans	-60.9	139.8	177.2	-174.4	-97.9	0	0	0	111.8	T166 E168 Y171 K202 C203 A204	T166-H200 PolarHBondContact O-CE1 3.02Å; E168-H200 IonicContact OE1-NE2 2.65Å; E168-H200 IonicContact OE2-CD2 3.52Å; E168-H200 PolarHBondContact OE2-CD2 2.91Å; E168-H200 IonicContact OE2-NE2 3.33Å; E168-H200 PolarHBondContact OE2-NE2 3.28Å; Y171-H200 HydrophobicContact CD1-CB 4.04Å; Y171-H200 HydrophobicContact CD2-CB 4.04Å; Y171-H200 HydrophobicContact CE1-CB 3.66Å; Y171-H200 HydrophobicContact CE2-CB 3.66Å; Y171-H200 HydrophobicContact CG-CB 4.21Å; Y171-H200 VanDerWaalsContact CZ-CB 3.44Å; Y171-H200 PolarHBondContact OH-N 2.81Å; Y171-H200 VanDerWaalsContact OH-N 3.1Å; H200-K202 VanDerWaalsContact C-N 3.26Å; H200-K202 VanDerWaalsContact ND1-CB 3.32Å; H200-K202 WeakPolarHBondContact ND1-CB 3.25Å; H200-K202 PolarHBondContact ND1-N 3.02Å; H200-K202 VanDerWaalsContact ND1-N 3.14Å; H200-K202 PolarHBondContact O-N 3.42Å; H200-K202 VanDerWaalsContact O-N 3.17Å; H200-C203 PolarHBondContact O-N 3.05Å; H200-A204 PolarHBondContact O-N 3.43Å; H200-A204 VanDerWaalsContact O-N 3.12Å
201	R	96.8	Very high	98.2	Very high	123 Å²	123	46.3 Å²	46.3	46%	0.464	21%	0.213	S	C	.	.	H	α-helix	trans	-55.1	-36.5	-176	60.3	-179.6	167.1	171	-4.4	113.7	E168 L199 A204 Y205 Y318	E168-R201 IonicContact OE1-NH2 3.62Å; E168-R201 PolarHBondContact OE1-NH2 2.93Å; L199-R201 PolarHBondContact O-N 3.19Å; R201-A204 PolarHBondContact O-N 3.44Å; R201-Y205 HydrophobicContact CB-CD2 4.5Å; R201-Y205 HydrophobicContact CB-CE2 4.49Å; R201-Y205 WeakPolarHBondContact O-CD2 3.39Å; R201-Y205 PolarHBondContact O-N 2.93Å; R201-Y318 HydrophobicContact CB-CD1 4.28Å
202	K	96.6	Very high	98.2	Very high	43 Å²	43	43.2 Å²	43.2	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-47.9	178	-173.1	-179.9	-171.7	166	0	110.6	I162 M165 I167 H200 Y205 Q206	I162-K202 HydrophobicContact CG2-CG 4.42Å; I162-K202 WeakPolarHBondContact O-CE 3.08Å; M165-K202 HydrophobicContact CB-CB 4.25Å; M165-K202 HydrophobicContact CB-CD 4.04Å; M165-K202 HydrophobicContact CB-CG 3.99Å; M165-K202 VanDerWaalsContact O-CD 3.27Å; M165-K202 WeakPolarHBondContact O-CD 3.01Å; M165-K202 VanDerWaalsContact O-CE 3.26Å; M165-K202 WeakPolarHBondContact O-CE 3.43Å; M165-K202 PolarHBondContact O-NZ 3.39Å; M165-K202 HydrophobicContact SD-CB 4.48Å; I167-K202 HydrophobicContact CD1-CB 4.48Å; I167-K202 HydrophobicContact CD1-CD 4.12Å; I167-K202 HydrophobicContact CG1-CB 4.18Å; I167-K202 HydrophobicContact CG1-CD 3.76Å; H200-K202 VanDerWaalsContact C-N 3.26Å; H200-K202 VanDerWaalsContact ND1-CB 3.32Å; H200-K202 WeakPolarHBondContact ND1-CB 3.25Å; H200-K202 PolarHBondContact ND1-N 3.02Å; H200-K202 VanDerWaalsContact ND1-N 3.14Å; H200-K202 PolarHBondContact O-N 3.42Å; H200-K202 VanDerWaalsContact O-N 3.17Å; K202-Y205 PolarHBondContact O-N 3.21Å; K202-Q206 WeakPolarHBondContact O-CB 3.44Å; K202-Q206 VanDerWaalsContact O-CG 3.28Å; K202-Q206 WeakPolarHBondContact O-CG 3.49Å; K202-Q206 PolarHBondContact O-N 2.83Å; K202-Q206 PolarHBondContact O-OE1 2.9Å
203	C	98	Very high	98.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-41.1	178.9	-58.2	0	0	0	0	111.3	L176 L199 H200 Q206 I207	L176-C203 HydrophobicContact CD1-CB 4.39Å; L176-C203 HydrophobicContact CG-CB 4.36Å; L199-C203 HydrophobicContact CD1-CB 4.03Å; L199-C203 HydrophobicContact CD2-CB 4.01Å; L199-C203 HydrophobicContact CG-CB 3.96Å; H200-C203 PolarHBondContact O-N 3.05Å; C203-Q206 PolarHBondContact O-N 2.94Å; C203-I207 WeakPolarHBondContact O-CG1 3.36Å; C203-I207 PolarHBondContact O-N 2.92Å
204	A	98.4	Very high	98.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-46.8	174.8	0	0	0	0	0	112.1	L199 H200 R201 Q206 I207 L208 L279 Y318 M322	L199-A204 HydrophobicContact CD2-CB 4.35Å; H200-A204 PolarHBondContact O-N 3.43Å; H200-A204 VanDerWaalsContact O-N 3.12Å; R201-A204 PolarHBondContact O-N 3.44Å; A204-Q206 PolarHBondContact O-N 3.44Å; A204-I207 PolarHBondContact O-N 3.04Å; A204-L208 WeakPolarHBondContact O-CG 3.32Å; A204-L208 PolarHBondContact O-N 2.97Å; A204-L279 HydrophobicContact CB-CD1 4.39Å; A204-L279 HydrophobicContact CB-CD2 4.36Å; A204-Y318 HydrophobicContact CB-CE1 4.27Å; A204-M322 HydrophobicContact CB-CE 3.82Å; A204-M322 HydrophobicContact CB-SD 4.48Å
205	Y	97.8	Very high	98.1	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-43.2	174.8	-80.6	-59.7	0	0	0	112.3	L160 M165 R201 K202 I207 L208 V209 T319 M322 L325	L160-Y205 HydrophobicContact CD1-CD1 3.64Å; L160-Y205 HydrophobicContact CD1-CE1 3.62Å; L160-Y205 HydrophobicContact CD2-CE1 4.04Å; M165-Y205 HydrophobicContact CE-CD2 3.66Å; M165-Y205 HydrophobicContact CE-CE2 3.83Å; M165-Y205 HydrophobicContact CE-CG 4.41Å; M165-Y205 HydrophobicContact SD-CD2 3.79Å; M165-Y205 HydrophobicContact SD-CE2 4.35Å; R201-Y205 HydrophobicContact CB-CD2 4.5Å; R201-Y205 HydrophobicContact CB-CE2 4.49Å; R201-Y205 WeakPolarHBondContact O-CD2 3.39Å; R201-Y205 PolarHBondContact O-N 2.93Å; K202-Y205 PolarHBondContact O-N 3.21Å; Y205-I207 PolarHBondContact O-N 3.07Å; Y205-L208 PolarHBondContact O-N 2.85Å; Y205-V209 WeakPolarHBondContact O-CG2 3.41Å; Y205-V209 PolarHBondContact O-N 3.1Å; Y205-T319 PolarHBondContact OH-OG1 3.45Å; Y205-M322 HydrophobicContact CD1-CE 3.81Å; Y205-M322 HydrophobicContact CD1-SD 3.8Å; Y205-M322 HydrophobicContact CD2-CE 3.62Å; Y205-M322 HydrophobicContact CE1-CB 4.47Å; Y205-M322 HydrophobicContact CE1-CE 3.67Å; Y205-M322 HydrophobicContact CE1-SD 3.61Å; Y205-M322 HydrophobicContact CE2-CE 3.47Å; Y205-M322 VanDerWaalsContact CE2-CE 3.47Å; Y205-M322 HydrophobicContact CG-CE 3.77Å; Y205-M322 HydrophobicContact CG-SD 4.32Å; Y205-M322 VanDerWaalsContact CZ-CE 3.49Å; Y205-L325 HydrophobicContact CD1-CD2 3.66Å; Y205-L325 HydrophobicContact CE1-CD2 4.13Å
206	Q	97.6	Very high	98.1	Very high	41 Å²	41	39.6 Å²	39.6	19%	0.192	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-42.9	177.1	-74.2	174.1	-60.5	0	0	112.2	I162 L176 K202 C203 A204 Q210	I162-Q206 HydrophobicContact CG2-CG 3.76Å; L176-Q206 HydrophobicContact CD1-CB 3.49Å; L176-Q206 VanDerWaalsContact CD1-CB 3.49Å; L176-Q206 HydrophobicContact CD1-CG 4.33Å; K202-Q206 WeakPolarHBondContact O-CB 3.44Å; K202-Q206 VanDerWaalsContact O-CG 3.28Å; K202-Q206 WeakPolarHBondContact O-CG 3.49Å; K202-Q206 PolarHBondContact O-N 2.83Å; K202-Q206 PolarHBondContact O-OE1 2.9Å; C203-Q206 PolarHBondContact O-N 2.94Å; A204-Q206 PolarHBondContact O-N 3.44Å; Q206-Q210 WeakPolarHBondContact O-CB 3.48Å; Q206-Q210 VanDerWaalsContact O-CG 3.27Å; Q206-Q210 WeakPolarHBondContact O-CG 3.43Å; Q206-Q210 PolarHBondContact O-N 3.5Å; Q206-Q210 VanDerWaalsContact O-N 3.13Å; Q206-Q210 PolarHBondContact O-NE2 3.15Å
207	I	98.7	Very high	98.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-47.7	174.7	-71	165.9	0	0	0	110.1	L176 V181 F185 M189 L199 C203 A204 Y205 Q210 V211 L279 F282 L286	L176-I207 HydrophobicContact CD1-CG1 4.43Å; L176-I207 HydrophobicContact CD2-CG1 4.49Å; V181-I207 HydrophobicContact CG2-CG1 4.29Å; F185-I207 HydrophobicContact CE1-CD1 4.03Å; F185-I207 HydrophobicContact CZ-CD1 4.04Å; M189-I207 HydrophobicContact SD-CD1 4.41Å; L199-I207 HydrophobicContact CD2-CD1 3.91Å; C203-I207 WeakPolarHBondContact O-CG1 3.36Å; C203-I207 PolarHBondContact O-N 2.92Å; A204-I207 PolarHBondContact O-N 3.04Å; Y205-I207 PolarHBondContact O-N 3.07Å; I207-Q210 PolarHBondContact O-N 3.21Å; I207-V211 WeakPolarHBondContact O-CB 3.45Å; I207-V211 WeakPolarHBondContact O-CG1 3.25Å; I207-V211 PolarHBondContact O-N 2.68Å; I207-L279 HydrophobicContact CG2-CD2 4.41Å; I207-F282 HydrophobicContact CG2-CB 3.74Å; I207-L286 HydrophobicContact CB-CD1 4.32Å; I207-L286 HydrophobicContact CG1-CD1 4.43Å; I207-L286 HydrophobicContact CG2-CD1 4.05Å
208	L	98.6	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-40.7	-176.6	-69.4	172.9	0	0	0	113.4	A204 Y205 V211 K212 F282 M322 L325 F326 V329	A204-L208 WeakPolarHBondContact O-CG 3.32Å; A204-L208 PolarHBondContact O-N 2.97Å; Y205-L208 PolarHBondContact O-N 2.85Å; L208-V211 WeakPolarHBondContact O-CG1 3.26Å; L208-K212 VanDerWaalsContact O-CB 3.29Å; L208-K212 WeakPolarHBondContact O-CB 3.41Å; L208-K212 PolarHBondContact O-N 2.98Å; L208-F282 HydrophobicContact CD2-CD2 3.65Å; L208-F282 HydrophobicContact CD2-CE2 3.62Å; L208-M322 HydrophobicContact CD1-CG 4.44Å; L208-M322 HydrophobicContact CD1-SD 3.35Å; L208-M322 WeakPolarHBondContact CD1-SD 3.39Å; L208-L325 HydrophobicContact CB-CD2 3.55Å; L208-L325 HydrophobicContact CB-CG 3.92Å; L208-L325 HydrophobicContact CD1-CD2 3.92Å; L208-L325 HydrophobicContact CD1-CG 4.16Å; L208-L325 HydrophobicContact CG-CD2 4.41Å; L208-F326 HydrophobicContact CD1-CD1 4.28Å; L208-F326 HydrophobicContact CD1-CD2 4.04Å; L208-F326 HydrophobicContact CD1-CE1 4.12Å; L208-F326 HydrophobicContact CD1-CE2 3.86Å; L208-F326 HydrophobicContact CD1-CG 4.25Å; L208-F326 HydrophobicContact CD1-CZ 3.89Å; L208-F326 HydrophobicContact CD2-CD1 3.53Å; L208-F326 HydrophobicContact CD2-CE1 3.38Å; L208-F326 HydrophobicContact CD2-CG 4.22Å; L208-F326 HydrophobicContact CD2-CZ 3.96Å; L208-F326 HydrophobicContact CG-CE1 4.28Å; L208-F326 HydrophobicContact CG-CZ 4.4Å; L208-V329 HydrophobicContact CB-CG2 4.34Å; L208-V329 HydrophobicContact CD2-CG2 4.21Å
209	V	97.6	Very high	98.1	Very high	42 Å²	42	37.5 Å²	37.5	26%	0.255	19%	0.186	S	C	.	.	H	α-helix	trans	-65.6	-45.3	177.1	170.6	0	0	0	0	111	V157 I162 Y205 K212 D213 L325	V157-V209 HydrophobicContact CG1-CG1 4.32Å; V157-V209 HydrophobicContact CG1-CG2 4Å; V157-V209 HydrophobicContact CG2-CG2 4Å; I162-V209 HydrophobicContact CD1-CB 4.37Å; I162-V209 HydrophobicContact CD1-CG2 3.51Å; Y205-V209 WeakPolarHBondContact O-CG2 3.41Å; Y205-V209 PolarHBondContact O-N 3.1Å; V209-K212 WeakPolarHBondContact O-CB 3.41Å; V209-K212 PolarHBondContact O-N 2.95Å; V209-D213 PolarHBondContact O-N 2.88Å; V209-L325 HydrophobicContact CG2-CD2 4.32Å
210	Q	98.3	Very high	98.1	Very high	63 Å²	63	37.8 Å²	37.8	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-65.7	-43.3	179.1	-71.6	174.8	75.8	0	0	111.7	G179 Q206 I207 K212 D213 V214 L286	G179-Q210 PolarHBondContact O-NE2 3.1Å; G179-Q210 PolarHBondContact O-OE1 3.37Å; Q206-Q210 WeakPolarHBondContact O-CB 3.48Å; Q206-Q210 VanDerWaalsContact O-CG 3.27Å; Q206-Q210 WeakPolarHBondContact O-CG 3.43Å; Q206-Q210 PolarHBondContact O-N 3.5Å; Q206-Q210 VanDerWaalsContact O-N 3.13Å; Q206-Q210 PolarHBondContact O-NE2 3.15Å; I207-Q210 PolarHBondContact O-N 3.21Å; Q210-K212 VanDerWaalsContact C-N 3.32Å; Q210-K212 PolarHBondContact O-N 3.25Å; Q210-D213 WeakPolarHBondContact O-CB 3.32Å; Q210-D213 PolarHBondContact O-N 2.86Å; Q210-V214 WeakPolarHBondContact O-CG2 3.19Å; Q210-V214 PolarHBondContact O-N 2.95Å; Q210-L286 HydrophobicContact CB-CD1 3.86Å; Q210-L286 HydrophobicContact CB-CD2 3.67Å; Q210-L286 HydrophobicContact CB-CG 4.44Å
211	V	98.8	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-71.3	-31.6	-178	79.5	0	0	0	0	111.1	I207 L208 D213 V214 L215 F282 K285 L286 V329	I207-V211 WeakPolarHBondContact O-CB 3.45Å; I207-V211 WeakPolarHBondContact O-CG1 3.25Å; I207-V211 PolarHBondContact O-N 2.68Å; L208-V211 WeakPolarHBondContact O-CG1 3.26Å; V211-D213 VanDerWaalsContact C-N 3.35Å; V211-V214 PolarHBondContact O-N 2.84Å; V211-L215 HydrophobicContact CG2-CD1 4.01Å; V211-L215 HydrophobicContact CG2-CG 4.15Å; V211-L215 WeakPolarHBondContact O-CB 3.49Å; V211-L215 VanDerWaalsContact O-CG 3.22Å; V211-L215 WeakPolarHBondContact O-CG 3.29Å; V211-L215 PolarHBondContact O-N 2.93Å; V211-F282 HydrophobicContact CB-CB 4.36Å; V211-F282 HydrophobicContact CB-CG 4.39Å; V211-F282 HydrophobicContact CG1-CB 4.2Å; V211-F282 HydrophobicContact CG1-CD1 4.16Å; V211-F282 HydrophobicContact CG1-CD2 3.89Å; V211-F282 HydrophobicContact CG1-CE1 4.49Å; V211-F282 HydrophobicContact CG1-CE2 4.23Å; V211-F282 HydrophobicContact CG1-CG 3.85Å; V211-F282 HydrophobicContact CG2-CB 4.15Å; V211-F282 HydrophobicContact CG2-CD1 3.81Å; V211-F282 HydrophobicContact CG2-CE1 4.42Å; V211-F282 HydrophobicContact CG2-CG 4.07Å; V211-K285 HydrophobicContact CG2-CB 4.15Å; V211-K285 HydrophobicContact CG2-CG 3.82Å; V211-L286 HydrophobicContact CB-CD1 4.46Å; V211-L286 HydrophobicContact CB-CD2 4.12Å; V211-L286 HydrophobicContact CB-CG 4.21Å; V211-V329 HydrophobicContact CG1-CG1 3.72Å; V211-V329 HydrophobicContact CG1-CG2 4.47Å
212	K	98.3	Very high	98.3	Very high	34 Å²	34	32 Å²	32	15%	0.148	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-48.3	169.6	-169.6	178	175	-179.3	0	111	S155 V157 L208 V209 Q210 L215 S216 L325 E328 V329	S155-K212 PolarHBondContact OG-NZ 3.36Å; V157-K212 HydrophobicContact CG2-CD 4.41Å; L208-K212 VanDerWaalsContact O-CB 3.29Å; L208-K212 WeakPolarHBondContact O-CB 3.41Å; L208-K212 PolarHBondContact O-N 2.98Å; V209-K212 WeakPolarHBondContact O-CB 3.41Å; V209-K212 PolarHBondContact O-N 2.95Å; Q210-K212 VanDerWaalsContact C-N 3.32Å; Q210-K212 PolarHBondContact O-N 3.25Å; K212-L215 PolarHBondContact O-N 3.26Å; K212-S216 WeakPolarHBondContact O-CB 3.37Å; K212-S216 PolarHBondContact O-N 3.3Å; K212-S216 PolarHBondContact O-OG 3.19Å; K212-L325 HydrophobicContact CD-CD1 4.47Å; K212-E328 IonicContact NZ-OE2 3.26Å; K212-E328 PolarHBondContact NZ-OE2 2.8Å; K212-V329 HydrophobicContact CB-CG2 3.92Å; K212-V329 HydrophobicContact CG-CG2 4.37Å
213	D	97.6	Very high	98.4	Very high	80 Å²	80	33.8 Å²	33.8	43%	0.428	18%	0.176	S	C	.	.	H	α-helix	trans	-59.9	-47.3	178.1	176.8	66.7	0	0	0	111.3	V209 Q210 V211 S216 K217	V209-D213 PolarHBondContact O-N 2.88Å; Q210-D213 WeakPolarHBondContact O-CB 3.32Å; Q210-D213 PolarHBondContact O-N 2.86Å; V211-D213 VanDerWaalsContact C-N 3.35Å; D213-S216 PolarHBondContact O-OG 3.34Å; D213-K217 WeakPolarHBondContact O-CG 3.39Å; D213-K217 WeakPolarHBondContact OD1-CE 3.26Å; D213-K217 IonicContact OD1-NZ 2.98Å; D213-K217 PolarHBondContact OD1-NZ 2.86Å; D213-K217 IonicContact OD2-NZ 3.68Å; D213-K217 PolarHBondContact OD2-NZ 2.82Å
214	V	98.7	Very high	98.4	Very high	37 Å²	37	35.4 Å²	35.4	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-52.5	176.2	171.8	0	0	0	0	111.7	Q210 V211 S216 K217 L286 P289	Q210-V214 WeakPolarHBondContact O-CG2 3.19Å; Q210-V214 PolarHBondContact O-N 2.95Å; V211-V214 PolarHBondContact O-N 2.84Å; V214-S216 VanDerWaalsContact C-N 3.34Å; V214-S216 PolarHBondContact O-N 2.8Å; V214-K217 PolarHBondContact O-N 3.38Å; V214-L286 HydrophobicContact CG2-CD2 3.96Å; V214-P289 HydrophobicContact CG1-CB 4.35Å
215	L	98.8	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-34.4	-175.9	-68.2	173.6	0	0	0	112.4	V211 K212 K217 L218 F282 V329 W332 L333 R366	V211-L215 HydrophobicContact CG2-CD1 4.01Å; V211-L215 HydrophobicContact CG2-CG 4.15Å; V211-L215 WeakPolarHBondContact O-CB 3.49Å; V211-L215 VanDerWaalsContact O-CG 3.22Å; V211-L215 WeakPolarHBondContact O-CG 3.29Å; V211-L215 PolarHBondContact O-N 2.93Å; K212-L215 PolarHBondContact O-N 3.26Å; L215-K217 PolarHBondContact O-N 3.45Å; L215-L218 HydrophobicContact CD2-CD1 3.98Å; L215-L218 WeakPolarHBondContact O-CB 3.49Å; L215-L218 PolarHBondContact O-N 3.46Å; L215-L218 VanDerWaalsContact O-N 3.11Å; L215-F282 HydrophobicContact CD1-CE1 4.35Å; L215-V329 HydrophobicContact CD1-CG1 3.94Å; L215-W332 HydrophobicContact CB-CB 3.84Å; L215-L333 HydrophobicContact CD1-CD2 3.8Å; L215-L333 HydrophobicContact CD1-CG 4.25Å; L215-L333 HydrophobicContact CD2-CD2 4.18Å; L215-R366 PolarHBondContact O-NH2 3.13Å
216	S	98.1	Very high	98.3	Very high	43 Å²	43	41 Å²	41	30%	0.301	22%	0.22	S	C	.	.	H	α-helix	trans	-64.2	-23.4	-179.9	72.3	0	0	0	0	113.9	K212 D213 V214	K212-S216 WeakPolarHBondContact O-CB 3.37Å; K212-S216 PolarHBondContact O-N 3.3Å; K212-S216 PolarHBondContact O-OG 3.19Å; D213-S216 PolarHBondContact O-OG 3.34Å; V214-S216 VanDerWaalsContact C-N 3.34Å; V214-S216 PolarHBondContact O-N 2.8Å
217	K	98.6	Very high	98.2	Very high	143 Å²	143	46 Å²	46	62%	0.622	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-13	178.3	-66.3	166.7	-173.7	166.4	0	113	D213 V214 L215	D213-K217 WeakPolarHBondContact O-CG 3.39Å; D213-K217 WeakPolarHBondContact OD1-CE 3.26Å; D213-K217 IonicContact OD1-NZ 2.98Å; D213-K217 PolarHBondContact OD1-NZ 2.86Å; D213-K217 IonicContact OD2-NZ 3.68Å; D213-K217 PolarHBondContact OD2-NZ 2.82Å; V214-K217 PolarHBondContact O-N 3.38Å; L215-K217 PolarHBondContact O-N 3.45Å
218	L	98.6	Very high	97.9	Very high	44 Å²	44	53.2 Å²	53.2	23%	0.23	27%	0.274	C	S	.	.	S	Bend	trans	-79.4	149.4	179.9	-60.4	179.2	0	0	0	111.3	L215 V222 P334 R366	L215-L218 HydrophobicContact CD2-CD1 3.98Å; L215-L218 WeakPolarHBondContact O-CB 3.49Å; L215-L218 PolarHBondContact O-N 3.46Å; L215-L218 VanDerWaalsContact O-N 3.11Å; L218-V222 HydrophobicContact CB-CG2 4.43Å; L218-P334 HydrophobicContact CB-CG 4.06Å; L218-P334 HydrophobicContact CD1-CG 3.89Å; L218-R366 PolarHBondContact O-NH1 3.43Å; L218-R366 PolarHBondContact O-NH2 3.16Å
219	P	98.4	Very high	97.7	Very high	67 Å²	67	59.2 Å²	59.2	44%	0.435	31%	0.311	S	S	.	.			trans	-69.2	165.4	167.8	31.5	-37	0	0	0	111.5	L221 V222 R366	P219-L221 VanDerWaalsContact C-N 3.32Å; P219-L221 WeakPolarHBondContact CB-O 3.35Å; P219-L221 WeakPolarHBondContact CG-O 3.13Å; P219-V222 HydrophobicContact CG-CG2 4.44Å; P219-R366 PolarHBondContact O-NH1 2.95Å
220	S	98.8	Very high	97.6	Very high	7 Å²	7	60.5 Å²	60.5	5%	0.049	32%	0.316	C	S	.	.	S	Bend	trans	-71.3	-29	176.3	-62.9	0	0	0	0	112.8	L335 A336 L361 I364 R366	S220-L335 PolarHBondContact O-N 3.09Å; S220-A336 PolarHBondContact O-N 2.88Å; S220-L361 WeakPolarHBondContact CB-O 3.36Å; S220-I364 WeakPolarHBondContact CB-O 3.44Å; S220-I364 PolarHBondContact OG-O 3.38Å; S220-R366 WeakPolarHBondContact OG-CD 3.47Å; S220-R366 WeakPolarHBondContact OG-CG 3.31Å; S220-R366 PolarHBondContact OG-NH1 2.85Å; S220-R366 VanDerWaalsContact OG-NH1 3.16Å
221	L	98.9	Very high	97.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111	165.3	174.3	68	0	0	0	108.3	P219 E223 A336 C338 L344 L358 L361 R362	P219-L221 VanDerWaalsContact C-N 3.32Å; P219-L221 WeakPolarHBondContact CB-O 3.35Å; P219-L221 WeakPolarHBondContact CG-O 3.13Å; L221-E223 HydrophobicContact CD2-CG 4.33Å; L221-E223 HydrophobicContact CG-CG 4.17Å; L221-A336 WeakPolarHBondContact CA-O 3.49Å; L221-A336 HydrophobicContact CD1-CB 3.75Å; L221-C338 HydrophobicContact CD1-CB 4.19Å; L221-L344 HydrophobicContact CD1-CD1 3.77Å; L221-L358 HydrophobicContact CD2-CB 3.95Å; L221-L358 HydrophobicContact CD2-CD2 4.02Å; L221-L358 HydrophobicContact CD2-CG 4.47Å; L221-L361 HydrophobicContact CB-CB 4.13Å; L221-L361 HydrophobicContact CD2-CB 4.43Å; L221-R362 HydrophobicContact CB-CG 3.98Å; L221-R362 HydrophobicContact CD2-CG 3.98Å
222	V	98.8	Very high	97.6	Very high	15 Å²	15	59.7 Å²	59.7	9%	0.091	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	138.1	173.3	172.5	0	0	0	0	109.1	L218 P219 I224 P334 A336 Q337 C338	L218-V222 HydrophobicContact CB-CG2 4.43Å; P219-V222 HydrophobicContact CG-CG2 4.44Å; V222-I224 HydrophobicContact CG1-CG2 4.01Å; V222-P334 HydrophobicContact CG2-CB 3.68Å; V222-P334 HydrophobicContact CG2-CG 3.58Å; V222-A336 PolarHBondContact N-O 3.39Å; V222-Q337 HydrophobicContact CB-CB 4.45Å; V222-Q337 HydrophobicContact CB-CG 4.2Å; V222-Q337 HydrophobicContact CG1-CG 4.15Å; V222-Q337 CarbonylContact O-C 3.54Å; V222-Q337 WeakPolarHBondContact O-CA 3.39Å; V222-C338 PolarHBondContact O-N 2.7Å
223	E	98.7	Very high	97.6	Very high	81 Å²	81	58.1 Å²	58.1	38%	0.379	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126	180	-61.1	-179	92	0	0	108.8	L221 C338 R362	L221-E223 HydrophobicContact CD2-CG 4.33Å; L221-E223 HydrophobicContact CG-CG 4.17Å; E223-C338 WeakPolarHBondContact CA-O 2.98Å; E223-C338 HydrophobicContact CG-CB 4.17Å; E223-R362 VanDerWaalsContact CD-NH2 3.26Å; E223-R362 IonicContact OE1-CZ 3.69Å; E223-R362 IonicContact OE1-NE 3.9Å; E223-R362 IonicContact OE1-NH2 3.33Å; E223-R362 PolarHBondContact OE1-NH2 3.07Å; E223-R362 IonicContact OE2-CZ 2.83Å; E223-R362 IonicContact OE2-NE 3.82Å; E223-R362 PolarHBondContact OE2-NE 2.97Å; E223-R362 IonicContact OE2-NH2 3.12Å; E223-R362 PolarHBondContact OE2-NH2 3.18Å; E223-R362 VanDerWaalsContact OE2-NH2 3.11Å
224	I	98.3	Very high	97.7	Very high	34 Å²	34	54.3 Å²	54.3	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.3	-179	65.5	159.9	0	0	0	111.7	V222 I226 L232 Q337 C338 I339 N340	V222-I224 HydrophobicContact CG1-CG2 4.01Å; I224-I226 HydrophobicContact CD1-CG1 4.27Å; I224-L232 HydrophobicContact CD1-CD2 4.01Å; I224-Q337 HydrophobicContact CG1-CG 4.45Å; I224-C338 PolarHBondContact N-O 3.39Å; I224-I339 HydrophobicContact CD1-CG1 4.16Å; I224-I339 HydrophobicContact CG1-CB 4.45Å; I224-I339 HydrophobicContact CG1-CG1 4.01Å; I224-I339 HydrophobicContact CG1-CG2 4.46Å; I224-N340 PolarHBondContact O-N 2.96Å
225	T	98.1	Very high	97.7	Very high	117 Å²	117	52.5 Å²	52.5	72%	0.718	27%	0.274	S	S	*	.			trans	-118.8	119.3	171.8	-58.5	0	0	0	0	109.8	N340	T225-N340 WeakPolarHBondContact CA-OD1 3.32Å
226	I	95.9	Very high	97.7	Very high	14 Å²	14	52.5 Å²	52.5	7%	0.072	27%	0.274	C	S	.	.			trans	-90.4	124.2	168.5	-52.5	171.1	0	0	0	107.3	I224 D230 L232 I339 N340 L459	I224-I226 HydrophobicContact CD1-CG1 4.27Å; I226-D230 HydrophobicContact CG2-CB 3.79Å; I226-D230 VanDerWaalsContact CG2-O 3.31Å; I226-D230 WeakPolarHBondContact CG2-O 3.48Å; I226-L232 HydrophobicContact CD1-CB 3.4Å; I226-L232 VanDerWaalsContact CD1-CB 3.4Å; I226-L232 HydrophobicContact CD1-CD2 4.06Å; I226-L232 HydrophobicContact CD1-CG 4.37Å; I226-L232 HydrophobicContact CG1-CB 4.28Å; I226-I339 HydrophobicContact CD1-CG2 3.43Å; I226-I339 VanDerWaalsContact CD1-CG2 3.43Å; I226-I339 HydrophobicContact CG1-CG2 3.89Å; I226-N340 PolarHBondContact N-OD1 2.6Å; I226-N340 PolarHBondContact O-ND2 3.5Å; I226-N340 VanDerWaalsContact O-ND2 3.11Å; I226-L459 HydrophobicContact CD1-CB 4.47Å
227	K	95.1	Very high	97.7	Very high	145 Å²	145	50.6 Å²	50.6	63%	0.63	26%	0.26	S	S	*	.			trans	-69	159.6	176.3	-56.5	175.5	-173.2	162.4	0	110.3	T229 D230 G461	K227-T229 PolarHBondContact O-N 2.77Å; K227-T229 VanDerWaalsContact O-N 3.08Å; K227-D230 HydrophobicContact CB-CB 4.42Å; K227-D230 WeakPolarHBondContact CB-OD2 3.39Å; K227-D230 PolarHBondContact O-N 3.18Å; K227-G461 WeakPolarHBondContact O-CA 3.17Å
228	E	93.7	Very high	97.7	Very high	152 Å²	152	43.9 Å²	43.9	71%	0.71	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.9	-175.6	-168.9	172.8	178.6	0	0	114	S462	E228-S462 PolarHBondContact O-N 2.96Å
229	T	93.7	Very high	97.7	Very high	126 Å²	126	42 Å²	42	77%	0.773	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-13.3	-179.5	52.4	0	0	0	0	114.7	K227	K227-T229 PolarHBondContact O-N 2.77Å; K227-T229 VanDerWaalsContact O-N 3.08Å
230	D	96.4	Very high	97.8	Very high	68 Å²	68	38.8 Å²	38.8	36%	0.364	20%	0.2	S	C	.	.			trans	-97.5	157.8	-167	-59.3	-10.5	0	0	0	110.4	I226 K227 G461	I226-D230 HydrophobicContact CG2-CB 3.79Å; I226-D230 VanDerWaalsContact CG2-O 3.31Å; I226-D230 WeakPolarHBondContact CG2-O 3.48Å; K227-D230 HydrophobicContact CB-CB 4.42Å; K227-D230 WeakPolarHBondContact CB-OD2 3.39Å; K227-D230 PolarHBondContact O-N 3.18Å; D230-G461 PolarHBondContact O-N 3.08Å
231	K	97.2	Very high	97.8	Very high	46 Å²	46	39.3 Å²	39.3	20%	0.2	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	157.4	174.7	74.3	169.2	-169.5	167.9	0	111.2	N252 N259 P260 H458 L459	K231-N252 PolarHBondContact NZ-OD1 3.5Å; K231-N259 WeakPolarHBondContact CE-OD1 3.3Å; K231-N259 PolarHBondContact NZ-OD1 3.33Å; K231-P260 VanDerWaalsContact O-CD 3.27Å; K231-P260 WeakPolarHBondContact O-CD 3.19Å; K231-P260 WeakPolarHBondContact O-CG 3.4Å; K231-H458 PolarHBondContact NZ-NE2 3.4Å; K231-L459 CarbonylContact C-O 3.5Å; K231-L459 WeakPolarHBondContact CA-O 3.47Å
232	L	98.8	Very high	97.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.9	164.1	176.6	72.6	0	0	0	109.5	I224 I226 I234 P260 L262 I339 H458 L459	I224-L232 HydrophobicContact CD1-CD2 4.01Å; I226-L232 HydrophobicContact CD1-CB 3.4Å; I226-L232 VanDerWaalsContact CD1-CB 3.4Å; I226-L232 HydrophobicContact CD1-CD2 4.06Å; I226-L232 HydrophobicContact CD1-CG 4.37Å; I226-L232 HydrophobicContact CG1-CB 4.28Å; L232-I234 HydrophobicContact CD2-CG1 4.19Å; L232-I234 HydrophobicContact CG-CG1 4.43Å; L232-P260 HydrophobicContact CD1-CB 3.84Å; L232-P260 HydrophobicContact CD1-CG 4.05Å; L232-L262 HydrophobicContact CD1-CB 4.38Å; L232-L262 HydrophobicContact CD2-CB 4.33Å; L232-I339 HydrophobicContact CD2-CD1 3.52Å; L232-I339 HydrophobicContact CD2-CG1 4.27Å; L232-H458 WeakPolarHBondContact O-CA 3.19Å; L232-L459 PolarHBondContact N-O 2.9Å; L232-L459 PolarHBondContact O-N 3.27Å
233	T	98.9	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.6	169.3	-53.1	0	0	0	0	110.5	N252 P260 Y261 L262 Y456 I457 H458	T233-N252 WeakPolarHBondContact CG2-ND2 3.37Å; T233-N252 PolarHBondContact OG1-ND2 3.1Å; T233-P260 PolarHBondContact N-O 3.11Å; T233-Y261 HydrophobicContact CG2-CD1 3.75Å; T233-Y261 HydrophobicContact CG2-CE1 3.58Å; T233-Y261 CarbonylContact O-C 3.27Å; T233-Y261 WeakPolarHBondContact O-CA 3.32Å; T233-L262 PolarHBondContact O-N 3.39Å; T233-Y456 HydrophobicContact CG2-CD2 3.75Å; T233-Y456 HydrophobicContact CG2-CG 4.12Å; T233-I457 CarbonylContact C-O 3.59Å; T233-I457 VanDerWaalsContact CA-O 3.26Å; T233-I457 WeakPolarHBondContact CA-O 3.28Å; T233-H458 PolarHBondContact OG1-CE1 3.36Å; T233-H458 PolarHBondContact OG1-ND1 3.19Å
234	I	98.9	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.3	172.5	-49.4	175.3	0	0	0	109.3	L232 L262 I339 V345 V419 V440 Y456 I457 L459	L232-I234 HydrophobicContact CD2-CG1 4.19Å; L232-I234 HydrophobicContact CG-CG1 4.43Å; I234-L262 CarbonylContact C-O 3.13Å; I234-L262 WeakPolarHBondContact CA-O 3.22Å; I234-L262 HydrophobicContact CD1-CD2 4.47Å; I234-L262 HydrophobicContact CG1-CB 4.39Å; I234-L262 HydrophobicContact CG1-CD2 4.24Å; I234-L262 HydrophobicContact CG2-CD2 4.23Å; I234-L262 HydrophobicContact CG2-CG 4.19Å; I234-I339 HydrophobicContact CD1-CD1 4.09Å; I234-V345 HydrophobicContact CD1-CG2 4.12Å; I234-V345 HydrophobicContact CG2-CG1 4.34Å; I234-V419 HydrophobicContact CD1-CG2 4.49Å; I234-V419 HydrophobicContact CG2-CG1 4.33Å; I234-V440 HydrophobicContact CG2-CG1 4.43Å; I234-Y456 CarbonylContact O-C 3.6Å; I234-Y456 WeakPolarHBondContact O-CA 3.28Å; I234-Y456 WeakPolarHBondContact O-CB 3.41Å; I234-I457 HydrophobicContact CB-CB 4.28Å; I234-I457 PolarHBondContact N-O 3.38Å; I234-I457 PolarHBondContact O-N 3.47Å; I234-L459 HydrophobicContact CD1-CD1 3.63Å; I234-L459 HydrophobicContact CD1-CG 4.05Å
235	C	98.9	Very high	97.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145	171.2	-62.6	0	0	0	0	109.3	L262 F263 N264 S442	C235-L262 PolarHBondContact N-O 3.15Å; C235-F263 HydrophobicContact CB-CD1 3.56Å; C235-F263 HydrophobicContact CB-CE1 3.63Å; C235-F263 HydrophobicContact CB-CG 4.11Å; C235-F263 HydrophobicContact CB-CZ 4.23Å; C235-N264 WeakPolarHBondContact O-CB 3.43Å; C235-N264 PolarHBondContact O-N 3.44Å; C235-S442 WeakPolarHBondContact CA-OG 3.26Å
236	G	98.9	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.			trans	-89.4	-149.7	169.2	0	0	0	0	0	112.3	S421 S442	G236-S421 WeakPolarHBondContact CA-OG 3.26Å; G236-S442 PolarHBondContact N-OG 3.31Å
237	D	98.9	Very high	98	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	15%	0.148	C	C	.	.			trans	-54.4	140.4	179.9	-48.2	21.8	0	0	0	111.1	H239 D266 H347 S421 H422 F441 S442 A443	D237-H239 IonicContact OD2-NE2 3.85Å; D237-D266 HydrophobicContact CB-CB 3.89Å; D237-H347 IonicContact OD1-CE1 3.56Å; D237-H347 PolarHBondContact OD1-CE1 3.42Å; D237-H347 VanDerWaalsContact OD1-CE1 3.26Å; D237-H347 IonicContact OD1-ND1 3.52Å; D237-H347 IonicContact OD2-CE1 3.54Å; D237-S421 WeakPolarHBondContact OD1-CB 3.36Å; D237-H422 PolarHBondContact OD1-N 3.04Å; D237-H422 WeakPolarHBondContact OD2-CA 3.37Å; D237-H422 PolarHBondContact OD2-N 3.41Å; D237-F441 HydrophobicContact CB-CD2 3.76Å; D237-F441 HydrophobicContact CB-CE2 3.5Å; D237-F441 HydrophobicContact CB-CZ 4.27Å; D237-F441 VanDerWaalsContact OD2-CE2 3.3Å; D237-F441 WeakPolarHBondContact OD2-CE2 3.42Å; D237-S442 CarbonylContact O-C 3.58Å; D237-S442 VanDerWaalsContact O-CA 3.26Å; D237-S442 WeakPolarHBondContact O-CA 3.47Å; D237-S442 WeakPolarHBondContact O-CB 3.22Å; D237-S442 PolarHBondContact O-N 2.84Å; D237-A443 PolarHBondContact O-N 3.01Å
238	T	98.8	Very high	98.2	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.118	C	C	.	.			trans	-124	-23.3	177.1	51.8	0	0	0	0	112.9	G240 Q241 F263 D266 F267	T238-G240 VanDerWaalsContact C-N 3.33Å; T238-G240 PolarHBondContact O-N 3.21Å; T238-G240 VanDerWaalsContact O-N 3.13Å; T238-Q241 WeakPolarHBondContact O-CB 3.32Å; T238-Q241 PolarHBondContact O-N 2.94Å; T238-F263 HydrophobicContact CG2-CD1 3.95Å; T238-F263 HydrophobicContact CG2-CE1 3.97Å; T238-D266 PolarHBondContact N-O 3.37Å; T238-F267 WeakPolarHBondContact OG1-CA 3.31Å
239	H	98.6	Very high	98.4	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.019	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	50.1	167.6	-77.8	-55.7	0	0	0	115.1	D237 Q241 D266 V268 D269 R270 G271 H299 Y446	D237-H239 IonicContact OD2-NE2 3.85Å; H239-Q241 PolarHBondContact O-N 3.08Å; H239-Q241 VanDerWaalsContact O-N 3.09Å; H239-D266 IonicContact CE1-OD2 3.96Å; H239-D266 PolarHBondContact CE1-OD2 2.74Å; H239-D266 VanDerWaalsContact CE1-OD2 3.26Å; H239-D266 PolarHBondContact N-O 2.83Å; H239-D266 IonicContact NE2-OD2 3.99Å; H239-V268 PolarHBondContact ND1-O 2.85Å; H239-D269 CarbonylContact C-O 3.54Å; H239-D269 VanDerWaalsContact C-O 3.27Å; H239-D269 WeakPolarHBondContact CA-O 3.42Å; H239-D269 WeakPolarHBondContact CB-O 3.34Å; H239-R270 HydrophobicContact CB-CB 4.38Å; H239-G271 WeakPolarHBondContact O-CA 3.46Å; H239-G271 PolarHBondContact O-N 3.4Å; H239-H299 AromaticContact CE1-CD2 3.64Å; H239-H299 AromaticContact CE1-CG 3.88Å; H239-Y446 HydrophobicContact CB-CE2 3.82Å; H239-Y446 AromaticContact CD2-CE2 3.25Å; H239-Y446 WeakPolarHBondContact CD2-CE2 3.03Å; H239-Y446 AromaticContact CD2-CZ 3.7Å; H239-Y446 PolarHBondContact CD2-OH 3.34Å; H239-Y446 AromaticContact CG-CE2 3.72Å; H239-Y446 AromaticContact NE2-CE2 3.97Å; H239-Y446 AromaticContact NE2-CZ 3.93Å; H239-Y446 PolarHBondContact NE2-OH 2.93Å
240	G	98.6	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	19.9	176.6	0	0	0	0	0	115.1	T238 Y242 F267 F273	T238-G240 VanDerWaalsContact C-N 3.33Å; T238-G240 PolarHBondContact O-N 3.21Å; T238-G240 VanDerWaalsContact O-N 3.13Å; G240-Y242 VanDerWaalsContact C-N 3.28Å; G240-Y242 PolarHBondContact O-N 3.04Å; G240-Y242 VanDerWaalsContact O-N 3.16Å; G240-F267 PolarHBondContact N-O 2.83Å; G240-F273 CarbonylContact O-C 3.33Å; G240-F273 WeakPolarHBondContact O-CA 3.11Å; G240-F273 VanDerWaalsContact O-CB 3.31Å; G240-F273 WeakPolarHBondContact O-CB 3.3Å; G240-F273 PolarHBondContact O-N 3.39Å
241	Q	98.8	Very high	98.7	Very high	18 Å²	18	17.8 Å²	17.8	8%	0.084	9%	0.086	C	C	.	.			trans	-85.2	69	171.7	-71.2	-175.8	-154.8	0	0	110.6	T238 H239 Y243 D244 L245 P444	T238-Q241 WeakPolarHBondContact O-CB 3.32Å; T238-Q241 PolarHBondContact O-N 2.94Å; H239-Q241 PolarHBondContact O-N 3.08Å; H239-Q241 VanDerWaalsContact O-N 3.09Å; Q241-Y243 VanDerWaalsContact C-N 3.3Å; Q241-Y243 PolarHBondContact O-N 2.79Å; Q241-D244 HydrophobicContact CB-CB 4.18Å; Q241-D244 WeakPolarHBondContact CB-OD2 3.2Å; Q241-D244 PolarHBondContact NE2-OD2 2.89Å; Q241-D244 PolarHBondContact O-N 3.34Å; Q241-D244 VanDerWaalsContact O-N 3.12Å; Q241-L245 PolarHBondContact O-N 3.22Å; Q241-P444 PolarHBondContact NE2-O 2.87Å
242	Y	98.9	Very high	98.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.3	-38.7	-172.6	179.2	-111.4	0	0	0	114.5	M190 F193 G240 D244 L245 L246 F273 E276 V277	M190-Y242 WeakPolarHBondContact CA-OH 3.44Å; M190-Y242 PolarHBondContact O-OH 2.66Å; F193-Y242 HydrophobicContact CB-CD1 4.33Å; F193-Y242 HydrophobicContact CB-CE1 3.48Å; F193-Y242 VanDerWaalsContact CB-CE1 3.48Å; F193-Y242 HydrophobicContact CB-CE2 4.27Å; F193-Y242 VanDerWaalsContact CB-CZ 3.46Å; F193-Y242 WeakPolarHBondContact CB-OH 3.36Å; F193-Y242 HydrophobicContact CD2-CE2 4.23Å; G240-Y242 VanDerWaalsContact C-N 3.28Å; G240-Y242 PolarHBondContact O-N 3.04Å; G240-Y242 VanDerWaalsContact O-N 3.16Å; Y242-D244 VanDerWaalsContact C-N 3.33Å; Y242-D244 PolarHBondContact O-N 3.45Å; Y242-L245 HydrophobicContact CD2-CD2 4.44Å; Y242-L245 WeakPolarHBondContact O-CB 3.19Å; Y242-L245 PolarHBondContact O-N 3.2Å; Y242-L246 HydrophobicContact CD1-CD1 4.37Å; Y242-L246 HydrophobicContact CE1-CD1 3.66Å; Y242-L246 HydrophobicContact CE1-CG 4.09Å; Y242-L246 HydrophobicContact CE2-CD2 4.25Å; Y242-L246 HydrophobicContact CE2-CG 4.34Å; Y242-L246 PolarHBondContact O-N 3.29Å; Y242-F273 VanDerWaalsContact CB-CB 3.49Å; Y242-E276 HydrophobicContact CD1-CB 4.02Å; Y242-E276 HydrophobicContact CD2-CB 3.54Å; Y242-E276 HydrophobicContact CE1-CB 4.39Å; Y242-E276 HydrophobicContact CE2-CB 3.96Å; Y242-E276 HydrophobicContact CG-CB 3.58Å; Y242-V277 HydrophobicContact CD2-CG2 4.17Å
243	Y	98.9	Very high	98.8	Very high	20 Å²	20	17.8 Å²	17.8	8%	0.078	10%	0.095	C	C	.	.	H	α-helix	trans	-71.1	-32.1	-178.3	-62.9	-95.8	0	0	0	111.6	K194 Q241 L246 N247 F273 V474 H476 P477	K194-Y243 HydrophobicContact CG-CE1 4.18Å; K194-Y243 PolarHBondContact O-OH 3.29Å; Q241-Y243 VanDerWaalsContact C-N 3.3Å; Q241-Y243 PolarHBondContact O-N 2.79Å; Y243-L246 PolarHBondContact O-N 2.75Å; Y243-N247 PolarHBondContact O-N 3.11Å; Y243-F273 HydrophobicContact CD2-CD2 4.23Å; Y243-F273 HydrophobicContact CD2-CE2 4.26Å; Y243-F273 HydrophobicContact CD2-CG 4.5Å; Y243-F273 AromaticContact CE2-CD1 3.91Å; Y243-F273 HydrophobicContact CE2-CD1 3.91Å; Y243-F273 HydrophobicContact CE2-CD2 4.08Å; Y243-F273 AromaticContact CE2-CE1 3.84Å; Y243-F273 HydrophobicContact CE2-CE1 3.84Å; Y243-F273 HydrophobicContact CE2-CE2 4.02Å; Y243-F273 HydrophobicContact CE2-CG 4.02Å; Y243-F273 AromaticContact CE2-CZ 3.9Å; Y243-F273 HydrophobicContact CE2-CZ 3.9Å; Y243-V474 WeakPolarHBondContact O-CG2 3.41Å; Y243-H476 HydrophobicContact CD1-CB 4.45Å; Y243-H476 HydrophobicContact CD2-CB 3.43Å; Y243-H476 VanDerWaalsContact CD2-CB 3.43Å; Y243-H476 HydrophobicContact CE2-CB 4.07Å; Y243-H476 HydrophobicContact CG-CB 3.7Å; Y243-P477 HydrophobicContact CE1-CG 4.13Å; Y243-P477 HydrophobicContact CE2-CG 4.1Å; Y243-P477 WeakPolarHBondContact OH-CD 3.2Å; Y243-P477 VanDerWaalsContact OH-CG 3.25Å; Y243-P477 WeakPolarHBondContact OH-CG 3.48Å
244	D	98.9	Very high	98.8	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.032	11%	0.109	C	C	.	.	H	α-helix	trans	-73.4	-33.2	172.3	-61.1	-57.9	0	0	0	111.8	Q241 Y242 L246 N247 I248 P444 A473 V474	Q241-D244 HydrophobicContact CB-CB 4.18Å; Q241-D244 WeakPolarHBondContact CB-OD2 3.2Å; Q241-D244 PolarHBondContact NE2-OD2 2.89Å; Q241-D244 PolarHBondContact O-N 3.34Å; Q241-D244 VanDerWaalsContact O-N 3.12Å; Y242-D244 VanDerWaalsContact C-N 3.33Å; Y242-D244 PolarHBondContact O-N 3.45Å; D244-L246 VanDerWaalsContact C-N 3.32Å; D244-L246 PolarHBondContact O-N 3.46Å; D244-N247 WeakPolarHBondContact O-CB 3.45Å; D244-N247 PolarHBondContact O-N 3.24Å; D244-I248 WeakPolarHBondContact O-CG1 3.22Å; D244-I248 PolarHBondContact O-N 3.5Å; D244-P444 HydrophobicContact CB-CG 3.98Å; D244-A473 VanDerWaalsContact OD1-CA 3.29Å; D244-A473 WeakPolarHBondContact OD1-CA 3.39Å; D244-V474 WeakPolarHBondContact OD1-CG2 3.49Å; D244-V474 PolarHBondContact OD1-N 2.97Å
245	L	98.9	Very high	98.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-59.2	-44.3	170	175.9	66	0	0	0	111.2	Q241 Y242 N247 I248 F249 F263 V277 T280 L281	Q241-L245 PolarHBondContact O-N 3.22Å; Y242-L245 HydrophobicContact CD2-CD2 4.44Å; Y242-L245 WeakPolarHBondContact O-CB 3.19Å; Y242-L245 PolarHBondContact O-N 3.2Å; L245-N247 VanDerWaalsContact C-N 3.32Å; L245-N247 PolarHBondContact O-N 2.79Å; L245-I248 WeakPolarHBondContact O-CB 3.43Å; L245-I248 PolarHBondContact O-N 2.92Å; L245-F249 HydrophobicContact CD1-CE1 4.14Å; L245-F249 HydrophobicContact CD1-CE2 3.88Å; L245-F249 HydrophobicContact CD1-CZ 3.58Å; L245-F249 HydrophobicContact CD2-CE2 4.25Å; L245-F249 HydrophobicContact CG-CD2 4.42Å; L245-F249 HydrophobicContact CG-CE2 3.78Å; L245-F249 HydrophobicContact CG-CZ 4.03Å; L245-F249 PolarHBondContact O-N 3.34Å; L245-F263 HydrophobicContact CD1-CE1 3.5Å; L245-F263 VanDerWaalsContact CD1-CE1 3.5Å; L245-F263 HydrophobicContact CD1-CZ 3.56Å; L245-V277 HydrophobicContact CD2-CB 4.4Å; L245-V277 HydrophobicContact CD2-CG1 4.18Å; L245-V277 HydrophobicContact CD2-CG2 4.21Å; L245-T280 HydrophobicContact CD2-CG2 4.32Å; L245-L281 HydrophobicContact CD1-CD2 4.18Å; L245-L281 HydrophobicContact CD2-CD2 4.18Å; L245-L281 HydrophobicContact CD2-CG 4.46Å
246	L	98.9	Very high	98.8	Very high	15 Å²	15	22 Å²	22	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-41	173.8	-65.4	-176	0	0	0	111.6	M190 K194 Y242 Y243 D244 I248 F249 E250	M190-L246 HydrophobicContact CB-CD2 4.09Å; M190-L246 HydrophobicContact CG-CD2 4.05Å; M190-L246 HydrophobicContact SD-CD2 3.89Å; K194-L246 HydrophobicContact CB-CD1 4.13Å; K194-L246 HydrophobicContact CD-CD1 4Å; K194-L246 HydrophobicContact CG-CD1 4.1Å; Y242-L246 HydrophobicContact CD1-CD1 4.37Å; Y242-L246 HydrophobicContact CE1-CD1 3.66Å; Y242-L246 HydrophobicContact CE1-CG 4.09Å; Y242-L246 HydrophobicContact CE2-CD2 4.25Å; Y242-L246 HydrophobicContact CE2-CG 4.34Å; Y242-L246 PolarHBondContact O-N 3.29Å; Y243-L246 PolarHBondContact O-N 2.75Å; D244-L246 VanDerWaalsContact C-N 3.32Å; D244-L246 PolarHBondContact O-N 3.46Å; L246-I248 VanDerWaalsContact C-N 3.33Å; L246-I248 PolarHBondContact O-N 3.12Å; L246-F249 CarbonylContact O-C 3.23Å; L246-F249 PolarHBondContact O-N 2.73Å; L246-F249 VanDerWaalsContact O-N 3.08Å; L246-E250 WeakPolarHBondContact O-CG 3.04Å; L246-E250 PolarHBondContact O-N 3.21Å
247	N	98.9	Very high	98.8	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.112	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-39.8	175.7	-174.7	42.1	0	0	0	112.3	Y243 D244 L245 F249 E250 L251 T472 V474	Y243-N247 PolarHBondContact O-N 3.11Å; D244-N247 WeakPolarHBondContact O-CB 3.45Å; D244-N247 PolarHBondContact O-N 3.24Å; L245-N247 VanDerWaalsContact C-N 3.32Å; L245-N247 PolarHBondContact O-N 2.79Å; N247-F249 VanDerWaalsContact C-N 3.3Å; N247-F249 PolarHBondContact O-N 2.77Å; N247-E250 PolarHBondContact O-N 2.85Å; N247-L251 WeakPolarHBondContact O-CB 3.45Å; N247-L251 VanDerWaalsContact O-CG 3.25Å; N247-L251 WeakPolarHBondContact O-CG 3.33Å; N247-L251 PolarHBondContact O-N 3.23Å; N247-T472 PolarHBondContact ND2-O 3.2Å; N247-V474 HydrophobicContact CB-CG1 3.86Å; N247-V474 HydrophobicContact CB-CG2 4.13Å
248	I	98.9	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.1	-46.5	172.5	-66.7	167.4	0	0	0	110.2	D244 L245 L246 L251 N252 Y261 Y456 F471	D244-I248 WeakPolarHBondContact O-CG1 3.22Å; D244-I248 PolarHBondContact O-N 3.5Å; L245-I248 WeakPolarHBondContact O-CB 3.43Å; L245-I248 PolarHBondContact O-N 2.92Å; L246-I248 VanDerWaalsContact C-N 3.33Å; L246-I248 PolarHBondContact O-N 3.12Å; I248-L251 PolarHBondContact O-N 3.36Å; I248-N252 VanDerWaalsContact O-CB 3.28Å; I248-N252 WeakPolarHBondContact O-CB 3.43Å; I248-N252 PolarHBondContact O-N 3.11Å; I248-Y261 HydrophobicContact CG2-CE1 4.04Å; I248-Y456 HydrophobicContact CG2-CD1 4.37Å; I248-F471 HydrophobicContact CD1-CE1 4.31Å; I248-F471 HydrophobicContact CD1-CE2 4.31Å; I248-F471 HydrophobicContact CD1-CZ 3.7Å; I248-F471 HydrophobicContact CG1-CE1 4.03Å; I248-F471 HydrophobicContact CG1-CE2 3.89Å; I248-F471 HydrophobicContact CG1-CZ 3.57Å
249	F	98.8	Very high	98.7	Very high	8 Å²	8	35 Å²	35	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-69.4	-31.8	179.5	-62.5	-28.2	0	0	0	113.7	M190 L245 L246 N247 G253 L254 P255 Y261 F263 T280 F284	M190-F249 HydrophobicContact SD-CD2 4.13Å; M190-F249 HydrophobicContact SD-CE2 4.38Å; L245-F249 HydrophobicContact CD1-CE1 4.14Å; L245-F249 HydrophobicContact CD1-CE2 3.88Å; L245-F249 HydrophobicContact CD1-CZ 3.58Å; L245-F249 HydrophobicContact CD2-CE2 4.25Å; L245-F249 HydrophobicContact CG-CD2 4.42Å; L245-F249 HydrophobicContact CG-CE2 3.78Å; L245-F249 HydrophobicContact CG-CZ 4.03Å; L245-F249 PolarHBondContact O-N 3.34Å; L246-F249 CarbonylContact O-C 3.23Å; L246-F249 PolarHBondContact O-N 2.73Å; L246-F249 VanDerWaalsContact O-N 3.08Å; N247-F249 VanDerWaalsContact C-N 3.3Å; N247-F249 PolarHBondContact O-N 2.77Å; F249-G253 CarbonylContact O-C 3.41Å; F249-G253 WeakPolarHBondContact O-CA 3.38Å; F249-G253 PolarHBondContact O-N 3.26Å; F249-L254 HydrophobicContact CB-CD2 3.89Å; F249-L254 HydrophobicContact CD2-CD2 4.23Å; F249-L254 HydrophobicContact CG-CD2 4.16Å; F249-P255 HydrophobicContact CD1-CG 4.19Å; F249-P255 HydrophobicContact CE1-CG 3.66Å; F249-P255 HydrophobicContact CZ-CG 3.98Å; F249-Y261 HydrophobicContact CE1-CE1 4.41Å; F249-F263 HydrophobicContact CE1-CE2 4.3Å; F249-F263 AromaticContact CE1-CZ 3.92Å; F249-F263 HydrophobicContact CE1-CZ 3.92Å; F249-F263 HydrophobicContact CZ-CE2 4.5Å; F249-F263 HydrophobicContact CZ-CZ 4.12Å; F249-T280 HydrophobicContact CE2-CG2 4.2Å; F249-F284 HydrophobicContact CD2-CE2 4.49Å; F249-F284 HydrophobicContact CE2-CD2 4.35Å; F249-F284 AromaticContact CE2-CE2 3.87Å; F249-F284 HydrophobicContact CE2-CE2 3.87Å; F249-F284 HydrophobicContact CZ-CD2 4.31Å; F249-F284 HydrophobicContact CZ-CE2 4.22Å
250	E	98.6	Very high	98.7	Very high	132 Å²	132	35.6 Å²	35.6	62%	0.617	19%	0.194	S	C	*	.	H	α-helix	trans	-68.8	-43	173.2	-72.2	178.1	-169.9	0	0	111.1	K194 L246 N247	K194-E250 IonicContact NZ-OE1 2.79Å; K194-E250 PolarHBondContact NZ-OE1 3.06Å; L246-E250 WeakPolarHBondContact O-CG 3.04Å; L246-E250 PolarHBondContact O-N 3.21Å; N247-E250 PolarHBondContact O-N 2.85Å
251	L	98.6	Very high	98.7	Very high	97 Å²	97	35.6 Å²	35.6	51%	0.508	19%	0.194	S	C	.	.	H	α-helix	trans	-75.7	-36.3	-178.4	-69.3	172.8	0	0	0	113.6	N247 I248 F471	N247-L251 WeakPolarHBondContact O-CB 3.45Å; N247-L251 VanDerWaalsContact O-CG 3.25Å; N247-L251 WeakPolarHBondContact O-CG 3.33Å; N247-L251 PolarHBondContact O-N 3.23Å; I248-L251 PolarHBondContact O-N 3.36Å; L251-F471 HydrophobicContact CD1-CB 3.76Å; L251-F471 HydrophobicContact CD1-CG 4.46Å
252	N	98.8	Very high	98.7	Very high	17 Å²	17	34.7 Å²	34.7	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-116.1	3.6	-171	-170.5	48.2	0	0	0	113.9	K231 T233 I248 N259 Y261 Y456 H458	K231-N252 PolarHBondContact NZ-OD1 3.5Å; T233-N252 WeakPolarHBondContact CG2-ND2 3.37Å; T233-N252 PolarHBondContact OG1-ND2 3.1Å; I248-N252 VanDerWaalsContact O-CB 3.28Å; I248-N252 WeakPolarHBondContact O-CB 3.43Å; I248-N252 PolarHBondContact O-N 3.11Å; N252-N259 PolarHBondContact O-ND2 3.08Å; N252-Y261 WeakPolarHBondContact CB-OH 3.43Å; N252-Y261 VanDerWaalsContact ND2-CZ 3.25Å; N252-Y261 PolarHBondContact ND2-OH 3.42Å; N252-Y261 PolarHBondContact O-OH 2.68Å; N252-Y456 HydrophobicContact CB-CE1 4.43Å; N252-Y456 HydrophobicContact CB-CE2 4Å; N252-H458 PolarHBondContact ND2-CE1 2.97Å; N252-H458 PolarHBondContact OD1-CE1 3.05Å; N252-H458 PolarHBondContact OD1-NE2 2.91Å
253	G	98.7	Very high	98.7	Very high	30 Å²	30	34.7 Å²	34.7	31%	0.309	19%	0.19	S	C	.	.			trans	80.3	153.2	-177.7	0	0	0	0	0	112.9	F249 N259 Y261	F249-G253 CarbonylContact O-C 3.41Å; F249-G253 WeakPolarHBondContact O-CA 3.38Å; F249-G253 PolarHBondContact O-N 3.26Å; G253-N259 PolarHBondContact O-ND2 3.36Å; G253-N259 VanDerWaalsContact O-ND2 3.08Å; G253-Y261 PolarHBondContact O-OH 3.31Å
254	L	98.8	Very high	98.7	Very high	58 Å²	58	33.8 Å²	33.8	30%	0.304	19%	0.186	S	C	.	.			trans	-61.7	153.6	177.9	-73.1	170.7	0	0	0	112.1	M190 F249 N259 F284	M190-L254 HydrophobicContact CE-CD2 3.7Å; M190-L254 HydrophobicContact SD-CD2 4.19Å; F249-L254 HydrophobicContact CB-CD2 3.89Å; F249-L254 HydrophobicContact CD2-CD2 4.23Å; F249-L254 HydrophobicContact CG-CD2 4.16Å; L254-N259 PolarHBondContact O-ND2 3.19Å; L254-F284 HydrophobicContact CD2-CZ 4.06Å
255	P	98.9	Very high	98.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.013	18%	0.184	C	C	.	.			trans	-57.1	138	169	-24.9	35.8	0	0	0	111.9	F249 Y261 F284 Y288 F292	F249-P255 HydrophobicContact CD1-CG 4.19Å; F249-P255 HydrophobicContact CE1-CG 3.66Å; F249-P255 HydrophobicContact CZ-CG 3.98Å; P255-Y261 HydrophobicContact CB-CD2 4.01Å; P255-Y261 HydrophobicContact CB-CE2 4.4Å; P255-Y261 HydrophobicContact CG-CD2 3.9Å; P255-Y261 HydrophobicContact CG-CE2 4.08Å; P255-F284 HydrophobicContact CB-CB 4.45Å; P255-F284 HydrophobicContact CB-CD1 3.79Å; P255-F284 HydrophobicContact CB-CE1 4.17Å; P255-F284 HydrophobicContact CB-CG 4.05Å; P255-F284 HydrophobicContact CG-CB 4.47Å; P255-F284 HydrophobicContact CG-CD1 3.93Å; P255-F284 HydrophobicContact CG-CD2 3.94Å; P255-F284 HydrophobicContact CG-CE1 4.12Å; P255-F284 HydrophobicContact CG-CE2 4.12Å; P255-F284 HydrophobicContact CG-CG 3.85Å; P255-F284 HydrophobicContact CG-CZ 4.22Å; P255-Y288 HydrophobicContact CB-CD2 4.36Å; P255-Y288 WeakPolarHBondContact O-CE2 3.37Å; P255-F292 HydrophobicContact CB-CD2 3.63Å; P255-F292 HydrophobicContact CB-CE2 3.83Å; P255-F292 HydrophobicContact CG-CD2 3.86Å; P255-F292 HydrophobicContact CG-CE2 3.48Å; P255-F292 VanDerWaalsContact CG-CE2 3.48Å; P255-F292 HydrophobicContact CG-CZ 4.48Å
256	S	98.8	Very high	98.7	Very high	29 Å²	29	33.5 Å²	33.5	20%	0.203	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-159.4	175.7	173.7	71.6	0	0	0	0	110.1	T258 N259	S256-T258 PolarHBondContact O-N 2.96Å; S256-T258 PolarHBondContact OG-N 3.04Å; S256-T258 PolarHBondContact OG-OG1 3.15Å; S256-T258 VanDerWaalsContact OG-OG1 3.08Å; S256-N259 PolarHBondContact N-O 2.9Å; S256-N259 CarbonylContact O-C 3.46Å; S256-N259 VanDerWaalsContact O-C 3.23Å; S256-N259 PolarHBondContact O-N 3.08Å; S256-N259 PolarHBondContact OG-N 3.2Å
257	E	98	Very high	98.7	Very high	131 Å²	131	32.8 Å²	32.8	61%	0.612	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.2	171.1	-61.1	179.2	-173.4	0	0	112.8	Y288 H291	E257-Y288 HydrophobicContact CG-CD1 4Å; E257-Y288 HydrophobicContact CG-CE1 4.35Å; E257-H291 PolarHBondContact O-CD2 2.9Å; E257-H291 VanDerWaalsContact O-CD2 3.24Å
258	T	97.8	Very high	98.7	Very high	127 Å²	127	31.8 Å²	31.8	78%	0.779	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.9	179.1	55.8	0	0	0	0	113.8	S256	S256-T258 PolarHBondContact O-N 2.96Å; S256-T258 PolarHBondContact OG-N 3.04Å; S256-T258 PolarHBondContact OG-OG1 3.15Å; S256-T258 VanDerWaalsContact OG-OG1 3.08Å
259	N	98.7	Very high	98.7	Very high	18 Å²	18	31.8 Å²	31.8	10%	0.096	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-136.6	69.8	176.7	-167.2	35.2	0	0	0	109.7	K231 N252 G253 L254 S256 Y261	K231-N259 WeakPolarHBondContact CE-OD1 3.3Å; K231-N259 PolarHBondContact NZ-OD1 3.33Å; N252-N259 PolarHBondContact O-ND2 3.08Å; G253-N259 PolarHBondContact O-ND2 3.36Å; G253-N259 VanDerWaalsContact O-ND2 3.08Å; L254-N259 PolarHBondContact O-ND2 3.19Å; S256-N259 PolarHBondContact N-O 2.9Å; S256-N259 CarbonylContact O-C 3.46Å; S256-N259 VanDerWaalsContact O-C 3.23Å; S256-N259 PolarHBondContact O-N 3.08Å; S256-N259 PolarHBondContact OG-N 3.2Å; N259-Y261 VanDerWaalsContact O-CD2 3.27Å; N259-Y261 WeakPolarHBondContact O-CD2 3.4Å
260	P	98.8	Very high	98.4	Very high	17 Å²	17	31.7 Å²	31.7	11%	0.11	18%	0.175	C	C	.	.			trans	-72.9	152.2	-176	29.4	-34.2	0	0	0	112	K231 L232 T233 H291	K231-P260 VanDerWaalsContact O-CD 3.27Å; K231-P260 WeakPolarHBondContact O-CD 3.19Å; K231-P260 WeakPolarHBondContact O-CG 3.4Å; L232-P260 HydrophobicContact CD1-CB 3.84Å; L232-P260 HydrophobicContact CD1-CG 4.05Å; T233-P260 PolarHBondContact N-O 3.11Å; P260-H291 CarbonylContact C-O 3.57Å; P260-H291 WeakPolarHBondContact CA-O 3.31Å; P260-H291 HydrophobicContact CB-CB 3.95Å; P260-H291 WeakPolarHBondContact CB-O 3.43Å
261	Y	98.9	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.9	179.6	-78.9	-100	0	0	0	111.9	T233 I248 F249 N252 G253 P255 N259 F263 H291 F292 H293	T233-Y261 HydrophobicContact CG2-CD1 3.75Å; T233-Y261 HydrophobicContact CG2-CE1 3.58Å; T233-Y261 CarbonylContact O-C 3.27Å; T233-Y261 WeakPolarHBondContact O-CA 3.32Å; I248-Y261 HydrophobicContact CG2-CE1 4.04Å; F249-Y261 HydrophobicContact CE1-CE1 4.41Å; N252-Y261 WeakPolarHBondContact CB-OH 3.43Å; N252-Y261 VanDerWaalsContact ND2-CZ 3.25Å; N252-Y261 PolarHBondContact ND2-OH 3.42Å; N252-Y261 PolarHBondContact O-OH 2.68Å; G253-Y261 PolarHBondContact O-OH 3.31Å; P255-Y261 HydrophobicContact CB-CD2 4.01Å; P255-Y261 HydrophobicContact CB-CE2 4.4Å; P255-Y261 HydrophobicContact CG-CD2 3.9Å; P255-Y261 HydrophobicContact CG-CE2 4.08Å; N259-Y261 VanDerWaalsContact O-CD2 3.27Å; N259-Y261 WeakPolarHBondContact O-CD2 3.4Å; Y261-F263 AromaticContact CD1-CE2 3.87Å; Y261-F263 HydrophobicContact CD1-CE2 3.87Å; Y261-F263 HydrophobicContact CD1-CZ 4.21Å; Y261-F263 HydrophobicContact CG-CE2 4.14Å; Y261-H291 PolarHBondContact N-O 2.77Å; Y261-F292 HydrophobicContact CG-CE2 4.3Å; Y261-F292 WeakPolarHBondContact O-CA 2.91Å; Y261-H293 PolarHBondContact O-CD2 3.35Å; Y261-H293 PolarHBondContact O-N 3.37Å
262	L	98.9	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.7	166.8	167.7	55.8	0	0	0	108.4	L232 T233 I234 C235 H293 L295 Q337 V345	L232-L262 HydrophobicContact CD1-CB 4.38Å; L232-L262 HydrophobicContact CD2-CB 4.33Å; T233-L262 PolarHBondContact O-N 3.39Å; I234-L262 CarbonylContact C-O 3.13Å; I234-L262 WeakPolarHBondContact CA-O 3.22Å; I234-L262 HydrophobicContact CD1-CD2 4.47Å; I234-L262 HydrophobicContact CG1-CB 4.39Å; I234-L262 HydrophobicContact CG1-CD2 4.24Å; I234-L262 HydrophobicContact CG2-CD2 4.23Å; I234-L262 HydrophobicContact CG2-CG 4.19Å; C235-L262 PolarHBondContact N-O 3.15Å; L262-H293 WeakPolarHBondContact CA-O 3.18Å; L262-H293 HydrophobicContact CB-CB 4.27Å; L262-H293 HydrophobicContact CD1-CB 3.75Å; L262-L295 HydrophobicContact CD1-CD1 3.86Å; L262-L295 HydrophobicContact CD1-CG 3.71Å; L262-Q337 VanDerWaalsContact CD1-OE1 3.32Å; L262-Q337 HydrophobicContact CD2-CB 4.37Å; L262-V345 HydrophobicContact CD2-CB 3.97Å; L262-V345 HydrophobicContact CD2-CG1 3.85Å; L262-V345 HydrophobicContact CD2-CG2 3.94Å
263	F	98.9	Very high	98.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.5	169.5	-71.4	-101.6	0	0	0	109.7	C235 T238 L245 F249 Y261 G265 F267 L281 F292 H293 L294 L295	C235-F263 HydrophobicContact CB-CD1 3.56Å; C235-F263 HydrophobicContact CB-CE1 3.63Å; C235-F263 HydrophobicContact CB-CG 4.11Å; C235-F263 HydrophobicContact CB-CZ 4.23Å; T238-F263 HydrophobicContact CG2-CD1 3.95Å; T238-F263 HydrophobicContact CG2-CE1 3.97Å; L245-F263 HydrophobicContact CD1-CE1 3.5Å; L245-F263 VanDerWaalsContact CD1-CE1 3.5Å; L245-F263 HydrophobicContact CD1-CZ 3.56Å; F249-F263 HydrophobicContact CE1-CE2 4.3Å; F249-F263 AromaticContact CE1-CZ 3.92Å; F249-F263 HydrophobicContact CE1-CZ 3.92Å; F249-F263 HydrophobicContact CZ-CE2 4.5Å; F249-F263 HydrophobicContact CZ-CZ 4.12Å; Y261-F263 AromaticContact CD1-CE2 3.87Å; Y261-F263 HydrophobicContact CD1-CE2 3.87Å; Y261-F263 HydrophobicContact CD1-CZ 4.21Å; Y261-F263 HydrophobicContact CG-CE2 4.14Å; F263-G265 VanDerWaalsContact C-N 3.33Å; F263-G265 PolarHBondContact O-N 2.89Å; F263-G265 VanDerWaalsContact O-N 3.14Å; F263-F267 HydrophobicContact CB-CD1 4.24Å; F263-F267 HydrophobicContact CB-CE1 3.59Å; F263-F267 HydrophobicContact CB-CZ 4.48Å; F263-L281 HydrophobicContact CD1-CD2 4.16Å; F263-L281 HydrophobicContact CD2-CD2 3.93Å; F263-L281 HydrophobicContact CE1-CD2 4.12Å; F263-L281 HydrophobicContact CE2-CD2 3.9Å; F263-L281 HydrophobicContact CG-CD2 4.08Å; F263-L281 HydrophobicContact CZ-CD2 3.99Å; F263-F292 HydrophobicContact CD2-CE1 4.35Å; F263-F292 HydrophobicContact CD2-CE2 4.02Å; F263-F292 AromaticContact CD2-CZ 3.65Å; F263-F292 HydrophobicContact CD2-CZ 3.65Å; F263-F292 AromaticContact CE2-CE2 3.61Å; F263-F292 HydrophobicContact CE2-CE2 3.61Å; F263-F292 AromaticContact CE2-CZ 3.49Å; F263-F292 HydrophobicContact CE2-CZ 3.49Å; F263-F292 VanDerWaalsContact CE2-CZ 3.49Å; F263-H293 PolarHBondContact N-O 3.38Å; F263-L294 HydrophobicContact CB-CD2 3.88Å; F263-L294 HydrophobicContact CD2-CD2 4.43Å; F263-L294 HydrophobicContact CG-CD2 4.46Å; F263-L295 PolarHBondContact O-N 3.38Å
264	N	98.9	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	57.2	-168.8	-168.8	34.9	0	0	0	113	C235 L295 V345 M346 H347 S421	C235-N264 WeakPolarHBondContact O-CB 3.43Å; C235-N264 PolarHBondContact O-N 3.44Å; N264-L295 WeakPolarHBondContact OD1-CD1 3.48Å; N264-V345 HydrophobicContact CB-CG1 4.34Å; N264-M346 PolarHBondContact ND2-O 3.25Å; N264-M346 PolarHBondContact OD1-O 2.92Å; N264-H347 PolarHBondContact O-ND1 2.63Å; N264-H347 PolarHBondContact OD1-N 2.78Å; N264-S421 PolarHBondContact ND2-N 2.84Å; N264-S421 PolarHBondContact ND2-OG 3.24Å
265	G	98.8	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	74.8	177.9	176.9	0	0	0	0	0	115.2	F263 L295	F263-G265 VanDerWaalsContact C-N 3.33Å; F263-G265 PolarHBondContact O-N 2.89Å; F263-G265 VanDerWaalsContact O-N 3.14Å; G265-L295 WeakPolarHBondContact CA-O 3.34Å; G265-L295 PolarHBondContact N-O 2.99Å; G265-L295 VanDerWaalsContact N-O 3.16Å
266	D	98.8	Very high	98.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.011	10%	0.1	C	C	.	.			trans	55.9	57.9	177	-78.7	20.2	0	0	0	112.4	D237 T238 H239 G297 N298 H299 E300 H347	D237-D266 HydrophobicContact CB-CB 3.89Å; T238-D266 PolarHBondContact N-O 3.37Å; H239-D266 IonicContact CE1-OD2 3.96Å; H239-D266 PolarHBondContact CE1-OD2 2.74Å; H239-D266 VanDerWaalsContact CE1-OD2 3.26Å; H239-D266 PolarHBondContact N-O 2.83Å; H239-D266 IonicContact NE2-OD2 3.99Å; D266-G297 VanDerWaalsContact OD1-C 3.32Å; D266-G297 VanDerWaalsContact OD1-CA 3.28Å; D266-G297 WeakPolarHBondContact OD1-CA 3.2Å; D266-N298 PolarHBondContact OD1-N 3.43Å; D266-N298 PolarHBondContact OD1-OD1 2.83Å; D266-N298 PolarHBondContact OD2-OD1 2.69Å; D266-H299 HydrophobicContact CB-CB 4.42Å; D266-H299 WeakPolarHBondContact OD1-CB 2.96Å; D266-H299 IonicContact OD1-CD2 3.43Å; D266-H299 PolarHBondContact OD1-N 2.99Å; D266-H299 IonicContact OD2-CD2 2.69Å; D266-H299 PolarHBondContact OD2-CD2 3.02Å; D266-H299 IonicContact OD2-CG 2.75Å; D266-E300 WeakPolarHBondContact CA-OE1 3.25Å; D266-E300 PolarHBondContact N-OE1 3.39Å; D266-E300 PolarHBondContact N-OE2 2.85Å; D266-H347 VanDerWaalsContact CG-NE2 3.31Å; D266-H347 IonicContact OD1-CE1 2.8Å; D266-H347 IonicContact OD1-NE2 3.55Å; D266-H347 PolarHBondContact OD1-NE2 2.44Å; D266-H347 IonicContact OD2-CE1 3.6Å; D266-H347 PolarHBondContact OD2-CE1 3.33Å; D266-H347 IonicContact OD2-NE2 3.24Å; D266-H347 PolarHBondContact OD2-NE2 3.24Å
267	F	98.9	Very high	98.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.			trans	-79.5	-31.4	178.3	-43.1	-48.9	0	0	0	112.1	T238 G240 F263 V277 I278 L281 L294 L295 E300 L333	T238-F267 WeakPolarHBondContact OG1-CA 3.31Å; G240-F267 PolarHBondContact N-O 2.83Å; F263-F267 HydrophobicContact CB-CD1 4.24Å; F263-F267 HydrophobicContact CB-CE1 3.59Å; F263-F267 HydrophobicContact CB-CZ 4.48Å; F267-V277 HydrophobicContact CB-CG1 4.17Å; F267-V277 WeakPolarHBondContact O-CG1 3.29Å; F267-I278 HydrophobicContact CB-CD1 4Å; F267-I278 HydrophobicContact CD2-CD1 3.57Å; F267-I278 HydrophobicContact CE2-CD1 4.41Å; F267-I278 HydrophobicContact CG-CD1 4.09Å; F267-L281 HydrophobicContact CB-CD1 3.84Å; F267-L281 HydrophobicContact CD1-CD1 3.53Å; F267-L281 HydrophobicContact CD2-CD1 4.43Å; F267-L281 HydrophobicContact CE1-CD1 4.2Å; F267-L281 HydrophobicContact CG-CD1 3.66Å; F267-L294 HydrophobicContact CE1-CD2 4.1Å; F267-L294 HydrophobicContact CE2-CB 4.32Å; F267-L294 HydrophobicContact CZ-CB 3.89Å; F267-L294 HydrophobicContact CZ-CD2 3.87Å; F267-L294 HydrophobicContact CZ-CG 4.41Å; F267-L295 WeakPolarHBondContact CZ-O 3.4Å; F267-E300 HydrophobicContact CD2-CG 3.85Å; F267-E300 WeakPolarHBondContact CD2-OE1 3.34Å; F267-E300 HydrophobicContact CE2-CG 4.12Å; F267-E300 PolarHBondContact N-OE1 3.43Å; F267-L333 HydrophobicContact CE2-CD1 3.97Å; F267-L333 HydrophobicContact CE2-CD2 4.45Å
268	V	98.9	Very high	98.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-119	-177.9	-168.9	-59.3	0	0	0	0	111.5	H239 I278 F310 F330	H239-V268 PolarHBondContact ND1-O 2.85Å; V268-I278 HydrophobicContact CG1-CB 3.89Å; V268-I278 HydrophobicContact CG1-CG1 4.32Å; V268-I278 HydrophobicContact CG1-CG2 4.32Å; V268-F310 HydrophobicContact CB-CB 4.01Å; V268-F310 HydrophobicContact CB-CD1 4.29Å; V268-F310 HydrophobicContact CB-CD2 3.71Å; V268-F310 HydrophobicContact CB-CE2 4.21Å; V268-F310 HydrophobicContact CB-CG 3.74Å; V268-F310 HydrophobicContact CG1-CD1 4.41Å; V268-F310 HydrophobicContact CG1-CD2 3.68Å; V268-F310 HydrophobicContact CG1-CE1 4.4Å; V268-F310 HydrophobicContact CG1-CE2 3.65Å; V268-F310 HydrophobicContact CG1-CG 4.06Å; V268-F310 HydrophobicContact CG1-CZ 4.02Å; V268-F310 HydrophobicContact CG2-CB 4.04Å; V268-F310 HydrophobicContact CG2-CD1 4.01Å; V268-F310 HydrophobicContact CG2-CD2 4.32Å; V268-F310 HydrophobicContact CG2-CG 3.86Å; V268-F330 HydrophobicContact CG1-CZ 4.22Å; V268-F330 HydrophobicContact CG2-CE2 4.27Å; V268-F330 HydrophobicContact CG2-CZ 4.28Å
269	D	97.9	Very high	98.4	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.024	C	C	.	.	S	Bend	trans	66.1	162	-176	-72.9	-37.8	0	0	0	113.4	H239 G271 S274 H299 N305 Y308 G309 F310	H239-D269 CarbonylContact C-O 3.54Å; H239-D269 VanDerWaalsContact C-O 3.27Å; H239-D269 WeakPolarHBondContact CA-O 3.42Å; H239-D269 WeakPolarHBondContact CB-O 3.34Å; D269-G271 PolarHBondContact O-N 3.25Å; D269-S274 PolarHBondContact N-OG 3.16Å; D269-H299 HydrophobicContact CB-CB 4.4Å; D269-H299 WeakPolarHBondContact CB-ND1 3.27Å; D269-H299 IonicContact OD2-CE1 3.37Å; D269-H299 IonicContact OD2-CG 3Å; D269-H299 IonicContact OD2-ND1 3.72Å; D269-H299 PolarHBondContact OD2-ND1 2.97Å; D269-N305 WeakPolarHBondContact OD1-CA 3.4Å; D269-N305 WeakPolarHBondContact OD2-CA 3.4Å; D269-N305 PolarHBondContact OD2-N 3.25Å; D269-N305 PolarHBondContact OD2-ND2 3.08Å; D269-Y308 VanDerWaalsContact OD1-C 3.3Å; D269-G309 PolarHBondContact OD1-N 2.83Å; D269-F310 WeakPolarHBondContact OD1-CB 3.28Å; D269-F310 PolarHBondContact OD1-N 3.35Å
270	R	93.2	Very high	98.4	Very high	6 Å²	6	3.2 Å²	3.2	2%	0.023	2%	0.02	C	C	.	.	S	Bend	trans	68.1	-67.6	-179	-48.8	-68.8	-168.6	110.3	-1.5	113.4	E71 H239 Y308 Y446 P481 M482	E71-R270 VanDerWaalsContact CD-NH2 3.32Å; E71-R270 IonicContact OE1-CZ 3.15Å; E71-R270 IonicContact OE1-NH1 3.58Å; E71-R270 PolarHBondContact OE1-NH1 2.89Å; E71-R270 IonicContact OE1-NH2 3.34Å; E71-R270 PolarHBondContact OE1-NH2 3.29Å; E71-R270 IonicContact OE2-CZ 3.83Å; E71-R270 IonicContact OE2-NH1 3.26Å; E71-R270 IonicContact OE2-NH2 3.3Å; E71-R270 PolarHBondContact OE2-NH2 3.24Å; H239-R270 HydrophobicContact CB-CB 4.38Å; R270-Y308 PolarHBondContact N-O 2.89Å; R270-Y446 HydrophobicContact CB-CE2 4.34Å; R270-Y446 WeakPolarHBondContact CG-OH 3.12Å; R270-P481 CarbonylContact O-C 3.51Å; R270-P481 WeakPolarHBondContact O-CA 3.5Å; R270-M482 PolarHBondContact O-N 3.42Å
271	G	96.2	Very high	98.4	Very high	12 Å²	12	2.4 Å²	2.4	12%	0.124	1%	0.014	C	C	.	.	S	Bend	trans	-66.5	152.5	171.6	0	0	0	0	0	111.3	H239 D269 S274	H239-G271 WeakPolarHBondContact O-CA 3.46Å; H239-G271 PolarHBondContact O-N 3.4Å; D269-G271 PolarHBondContact O-N 3.25Å; G271-S274 PolarHBondContact O-OG 3.18Å; G271-S274 VanDerWaalsContact O-OG 3.08Å
272	S	98.4	Very high	98.4	Very high	4 Å²	4	2.4 Å²	2.4	3%	0.028	1%	0.014	C	C	.	.	S	Bend	trans	-100.4	17	-173.3	-65.8	0	0	0	0	114	V479 K480 A483	S272-V479 VanDerWaalsContact CB-CG1 3.46Å; S272-K480 PolarHBondContact OG-O 3Å; S272-A483 PolarHBondContact OG-N 3.42Å
273	F	98.8	Very high	98.4	Very high	15 Å²	15	2.4 Å²	2.4	7%	0.066	1%	0.014	C	C	.	.			trans	-125.6	35.7	173.8	-45.8	-83.4	0	0	0	110.8	G240 Y242 Y243 V275 E276 V277 H476 P477 V479	G240-F273 CarbonylContact O-C 3.33Å; G240-F273 WeakPolarHBondContact O-CA 3.11Å; G240-F273 VanDerWaalsContact O-CB 3.31Å; G240-F273 WeakPolarHBondContact O-CB 3.3Å; G240-F273 PolarHBondContact O-N 3.39Å; Y242-F273 VanDerWaalsContact CB-CB 3.49Å; Y243-F273 HydrophobicContact CD2-CD2 4.23Å; Y243-F273 HydrophobicContact CD2-CE2 4.26Å; Y243-F273 HydrophobicContact CD2-CG 4.5Å; Y243-F273 AromaticContact CE2-CD1 3.91Å; Y243-F273 HydrophobicContact CE2-CD1 3.91Å; Y243-F273 HydrophobicContact CE2-CD2 4.08Å; Y243-F273 AromaticContact CE2-CE1 3.84Å; Y243-F273 HydrophobicContact CE2-CE1 3.84Å; Y243-F273 HydrophobicContact CE2-CE2 4.02Å; Y243-F273 HydrophobicContact CE2-CG 4.02Å; Y243-F273 AromaticContact CE2-CZ 3.9Å; Y243-F273 HydrophobicContact CE2-CZ 3.9Å; F273-V275 VanDerWaalsContact C-N 3.32Å; F273-V275 PolarHBondContact O-N 2.99Å; F273-E276 WeakPolarHBondContact CA-OE2 3.46Å; F273-E276 PolarHBondContact O-N 2.88Å; F273-V277 WeakPolarHBondContact O-CG2 3.4Å; F273-V277 PolarHBondContact O-N 3.15Å; F273-V277 VanDerWaalsContact O-N 3.13Å; F273-H476 HydrophobicContact CE2-CB 4.29Å; F273-H476 AromaticContact CE2-ND1 3.89Å; F273-P477 HydrophobicContact CZ-CB 4.3Å; F273-P477 HydrophobicContact CZ-CG 4.48Å; F273-V479 HydrophobicContact CE1-CB 4.35Å; F273-V479 HydrophobicContact CE1-CG2 4.13Å; F273-V479 HydrophobicContact CZ-CB 3.88Å; F273-V479 HydrophobicContact CZ-CG2 4.01Å
274	S	98.9	Very high	98.4	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-65.4	-36.1	-177.2	-64.5	0	0	0	0	112.1	D269 G271 V277 I278 E313	D269-S274 PolarHBondContact N-OG 3.16Å; G271-S274 PolarHBondContact O-OG 3.18Å; G271-S274 VanDerWaalsContact O-OG 3.08Å; S274-V277 PolarHBondContact O-N 3.03Å; S274-I278 VanDerWaalsContact O-CG2 3.29Å; S274-I278 WeakPolarHBondContact O-CG2 3.49Å; S274-I278 PolarHBondContact O-N 3.39Å; S274-E313 WeakPolarHBondContact CB-OE2 3.33Å; S274-E313 PolarHBondContact N-OE1 2.9Å; S274-E313 PolarHBondContact N-OE2 3.1Å; S274-E313 PolarHBondContact OG-OE2 2.7Å
275	V	98.9	Very high	98.4	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.006	2%	0.015	C	C	.	.	H	α-helix	trans	-63.5	-43.2	177.3	165	0	0	0	0	111.3	F273 L279 F310 E313 V314 K317 Y318	F273-V275 VanDerWaalsContact C-N 3.32Å; F273-V275 PolarHBondContact O-N 2.99Å; V275-L279 HydrophobicContact CG1-CD1 3.84Å; V275-L279 WeakPolarHBondContact O-CB 3.41Å; V275-L279 WeakPolarHBondContact O-CG 3.45Å; V275-L279 PolarHBondContact O-N 3.5Å; V275-L279 VanDerWaalsContact O-N 3.08Å; V275-F310 HydrophobicContact CG2-CE2 4.15Å; V275-E313 VanDerWaalsContact CB-OE1 3.32Å; V275-E313 WeakPolarHBondContact CB-OE1 3.46Å; V275-E313 HydrophobicContact CG2-CG 3.9Å; V275-E313 WeakPolarHBondContact CG2-OE1 3.41Å; V275-E313 PolarHBondContact N-OE1 3.23Å; V275-V314 HydrophobicContact CG2-CG2 3.83Å; V275-K317 HydrophobicContact CB-CD 3.95Å; V275-K317 HydrophobicContact CG1-CD 4.12Å; V275-K317 HydrophobicContact CG2-CD 4.03Å; V275-Y318 HydrophobicContact CG1-CD2 4.49Å; V275-Y318 HydrophobicContact CG1-CE2 3.62Å
276	E	98.9	Very high	98.4	Very high	10 Å²	10	4 Å²	4	5%	0.047	2%	0.022	C	C	.	.	H	α-helix	trans	-66.7	-44.4	179.4	-66.5	73.3	-163.4	0	0	110.9	F193 Y242 F273 T280 K317	F193-E276 HydrophobicContact CB-CB 4.02Å; F193-E276 HydrophobicContact CB-CG 3.68Å; F193-E276 HydrophobicContact CD1-CB 4.44Å; F193-E276 HydrophobicContact CD1-CG 3.71Å; F193-E276 HydrophobicContact CD2-CB 3.8Å; F193-E276 HydrophobicContact CD2-CG 3.98Å; F193-E276 HydrophobicContact CE1-CG 4.29Å; F193-E276 HydrophobicContact CE2-CB 4.34Å; F193-E276 HydrophobicContact CG-CB 3.86Å; F193-E276 HydrophobicContact CG-CG 3.53Å; Y242-E276 HydrophobicContact CD1-CB 4.02Å; Y242-E276 HydrophobicContact CD2-CB 3.54Å; Y242-E276 HydrophobicContact CE1-CB 4.39Å; Y242-E276 HydrophobicContact CE2-CB 3.96Å; Y242-E276 HydrophobicContact CG-CB 3.58Å; F273-E276 WeakPolarHBondContact CA-OE2 3.46Å; F273-E276 PolarHBondContact O-N 2.88Å; E276-T280 VanDerWaalsContact O-CB 3.28Å; E276-T280 WeakPolarHBondContact O-CB 3.16Å; E276-T280 PolarHBondContact O-N 3.38Å; E276-T280 VanDerWaalsContact O-N 3.12Å; E276-T280 PolarHBondContact O-OG1 3.45Å; E276-K317 IonicContact OE1-NZ 3.17Å; E276-K317 PolarHBondContact OE1-NZ 3.36Å; E276-K317 IonicContact OE2-NZ 2.63Å; E276-K317 PolarHBondContact OE2-NZ 3.04Å
277	V	98.9	Very high	98.4	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-55.9	-58.9	173.2	168.4	0	0	0	0	110.5	Y242 L245 F267 F273 S274 L279 T280 L281	Y242-V277 HydrophobicContact CD2-CG2 4.17Å; L245-V277 HydrophobicContact CD2-CB 4.4Å; L245-V277 HydrophobicContact CD2-CG1 4.18Å; L245-V277 HydrophobicContact CD2-CG2 4.21Å; F267-V277 HydrophobicContact CB-CG1 4.17Å; F267-V277 WeakPolarHBondContact O-CG1 3.29Å; F273-V277 WeakPolarHBondContact O-CG2 3.4Å; F273-V277 PolarHBondContact O-N 3.15Å; F273-V277 VanDerWaalsContact O-N 3.13Å; S274-V277 PolarHBondContact O-N 3.03Å; V277-L279 PolarHBondContact O-N 2.85Å; V277-T280 WeakPolarHBondContact O-CB 3.34Å; V277-T280 PolarHBondContact O-N 3.01Å; V277-T280 VanDerWaalsContact O-N 3.12Å; V277-L281 HydrophobicContact CG1-CD1 3.77Å; V277-L281 HydrophobicContact CG1-CG 4.19Å; V277-L281 WeakPolarHBondContact O-CG 3.48Å; V277-L281 PolarHBondContact O-N 2.78Å
278	I	98.9	Very high	98.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-68.2	-36.1	-169.1	-166.2	57.9	0	0	0	113.1	F267 V268 S274 T280 L281 F282 F310 F326 F330	F267-I278 HydrophobicContact CB-CD1 4Å; F267-I278 HydrophobicContact CD2-CD1 3.57Å; F267-I278 HydrophobicContact CE2-CD1 4.41Å; F267-I278 HydrophobicContact CG-CD1 4.09Å; V268-I278 HydrophobicContact CG1-CB 3.89Å; V268-I278 HydrophobicContact CG1-CG1 4.32Å; V268-I278 HydrophobicContact CG1-CG2 4.32Å; S274-I278 VanDerWaalsContact O-CG2 3.29Å; S274-I278 WeakPolarHBondContact O-CG2 3.49Å; S274-I278 PolarHBondContact O-N 3.39Å; I278-T280 VanDerWaalsContact C-N 3.32Å; I278-L281 PolarHBondContact O-N 3.11Å; I278-F282 HydrophobicContact CD1-CD1 4.25Å; I278-F282 HydrophobicContact CD1-CD2 4.39Å; I278-F282 HydrophobicContact CD1-CE1 3.83Å; I278-F282 HydrophobicContact CD1-CE2 3.99Å; I278-F282 HydrophobicContact CD1-CZ 3.69Å; I278-F282 HydrophobicContact CG1-CD2 3.95Å; I278-F282 HydrophobicContact CG1-CE1 4.36Å; I278-F282 HydrophobicContact CG1-CE2 3.59Å; I278-F282 HydrophobicContact CG1-CG 4.48Å; I278-F282 HydrophobicContact CG1-CZ 3.82Å; I278-F282 WeakPolarHBondContact O-CB 3.37Å; I278-F282 WeakPolarHBondContact O-CG 3.33Å; I278-F282 PolarHBondContact O-N 3.09Å; I278-F310 HydrophobicContact CG2-CE2 3.94Å; I278-F310 HydrophobicContact CG2-CZ 3.98Å; I278-F326 HydrophobicContact CG1-CE1 4.2Å; I278-F326 HydrophobicContact CG2-CD1 4.41Å; I278-F326 HydrophobicContact CG2-CE1 3.56Å; I278-F326 HydrophobicContact CG2-CZ 4.01Å; I278-F330 HydrophobicContact CD1-CE1 3.88Å; I278-F330 HydrophobicContact CD1-CZ 4.41Å; I278-F330 HydrophobicContact CG1-CE1 3.84Å; I278-F330 HydrophobicContact CG1-CZ 4.12Å
279	L	98.9	Very high	98.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.6	-33.7	175.6	-72.5	175	0	0	0	111.6	F193 L199 A204 I207 V275 V277 G283 Y318 F326	F193-L279 HydrophobicContact CE2-CB 4.04Å; F193-L279 HydrophobicContact CZ-CB 4.1Å; F193-L279 HydrophobicContact CZ-CD1 3.97Å; L199-L279 HydrophobicContact CD2-CD1 4.34Å; A204-L279 HydrophobicContact CB-CD1 4.39Å; A204-L279 HydrophobicContact CB-CD2 4.36Å; I207-L279 HydrophobicContact CG2-CD2 4.41Å; V275-L279 HydrophobicContact CG1-CD1 3.84Å; V275-L279 WeakPolarHBondContact O-CB 3.41Å; V275-L279 WeakPolarHBondContact O-CG 3.45Å; V275-L279 PolarHBondContact O-N 3.5Å; V275-L279 VanDerWaalsContact O-N 3.08Å; V277-L279 PolarHBondContact O-N 2.85Å; L279-G283 PolarHBondContact O-N 3.17Å; L279-Y318 HydrophobicContact CD1-CE2 4.32Å; L279-F326 HydrophobicContact CD2-CE1 4.42Å; L279-F326 HydrophobicContact CD2-CZ 4.02Å; L279-F326 HydrophobicContact CG-CZ 4.31Å
280	T	98.9	Very high	98.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.7	-46.7	173.6	-58.5	0	0	0	0	111.2	M186 M190 L245 F249 E276 V277 I278 G283 F284	M186-T280 HydrophobicContact CE-CG2 4.25Å; M186-T280 VanDerWaalsContact CE-O 3.27Å; M186-T280 WeakPolarHBondContact CE-O 3.26Å; M190-T280 HydrophobicContact CG-CG2 3.91Å; M190-T280 HydrophobicContact SD-CG2 4.1Å; L245-T280 HydrophobicContact CD2-CG2 4.32Å; F249-T280 HydrophobicContact CE2-CG2 4.2Å; E276-T280 VanDerWaalsContact O-CB 3.28Å; E276-T280 WeakPolarHBondContact O-CB 3.16Å; E276-T280 PolarHBondContact O-N 3.38Å; E276-T280 VanDerWaalsContact O-N 3.12Å; E276-T280 PolarHBondContact O-OG1 3.45Å; V277-T280 WeakPolarHBondContact O-CB 3.34Å; V277-T280 PolarHBondContact O-N 3.01Å; V277-T280 VanDerWaalsContact O-N 3.12Å; I278-T280 VanDerWaalsContact C-N 3.32Å; T280-G283 PolarHBondContact O-N 2.65Å; T280-F284 HydrophobicContact CG2-CD2 4.01Å; T280-F284 HydrophobicContact CG2-CE2 3.86Å; T280-F284 WeakPolarHBondContact O-CD2 3.4Å; T280-F284 PolarHBondContact O-N 2.91Å
281	L	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.8	-44.9	177.3	-64.8	-178	0	0	0	111.9	L245 F263 F267 V277 I278 G283 F284 K285 F292 L294	L245-L281 HydrophobicContact CD1-CD2 4.18Å; L245-L281 HydrophobicContact CD2-CD2 4.18Å; L245-L281 HydrophobicContact CD2-CG 4.46Å; F263-L281 HydrophobicContact CD1-CD2 4.16Å; F263-L281 HydrophobicContact CD2-CD2 3.93Å; F263-L281 HydrophobicContact CE1-CD2 4.12Å; F263-L281 HydrophobicContact CE2-CD2 3.9Å; F263-L281 HydrophobicContact CG-CD2 4.08Å; F263-L281 HydrophobicContact CZ-CD2 3.99Å; F267-L281 HydrophobicContact CB-CD1 3.84Å; F267-L281 HydrophobicContact CD1-CD1 3.53Å; F267-L281 HydrophobicContact CD2-CD1 4.43Å; F267-L281 HydrophobicContact CE1-CD1 4.2Å; F267-L281 HydrophobicContact CG-CD1 3.66Å; V277-L281 HydrophobicContact CG1-CD1 3.77Å; V277-L281 HydrophobicContact CG1-CG 4.19Å; V277-L281 WeakPolarHBondContact O-CG 3.48Å; V277-L281 PolarHBondContact O-N 2.78Å; I278-L281 PolarHBondContact O-N 3.11Å; L281-G283 VanDerWaalsContact C-N 3.35Å; L281-G283 PolarHBondContact O-N 2.86Å; L281-F284 PolarHBondContact O-N 3.26Å; L281-K285 PolarHBondContact O-N 2.86Å; L281-F292 HydrophobicContact CB-CE1 4.18Å; L281-F292 HydrophobicContact CD2-CE1 4Å; L281-F292 HydrophobicContact CD2-CZ 3.6Å; L281-F292 WeakPolarHBondContact O-CE1 3.25Å; L281-L294 HydrophobicContact CB-CD1 4.24Å; L281-L294 HydrophobicContact CB-CD2 4.08Å; L281-L294 HydrophobicContact CD1-CD2 4.26Å
282	F	98.9	Very high	98.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.3	-35.8	175.5	-71.9	-21.1	0	0	0	112.9	I207 L208 V211 L215 I278 K285 L286 L294 F326 V329 F330	I207-F282 HydrophobicContact CG2-CB 3.74Å; L208-F282 HydrophobicContact CD2-CD2 3.65Å; L208-F282 HydrophobicContact CD2-CE2 3.62Å; V211-F282 HydrophobicContact CB-CB 4.36Å; V211-F282 HydrophobicContact CB-CG 4.39Å; V211-F282 HydrophobicContact CG1-CB 4.2Å; V211-F282 HydrophobicContact CG1-CD1 4.16Å; V211-F282 HydrophobicContact CG1-CD2 3.89Å; V211-F282 HydrophobicContact CG1-CE1 4.49Å; V211-F282 HydrophobicContact CG1-CE2 4.23Å; V211-F282 HydrophobicContact CG1-CG 3.85Å; V211-F282 HydrophobicContact CG2-CB 4.15Å; V211-F282 HydrophobicContact CG2-CD1 3.81Å; V211-F282 HydrophobicContact CG2-CE1 4.42Å; V211-F282 HydrophobicContact CG2-CG 4.07Å; L215-F282 HydrophobicContact CD1-CE1 4.35Å; I278-F282 HydrophobicContact CD1-CD1 4.25Å; I278-F282 HydrophobicContact CD1-CD2 4.39Å; I278-F282 HydrophobicContact CD1-CE1 3.83Å; I278-F282 HydrophobicContact CD1-CE2 3.99Å; I278-F282 HydrophobicContact CD1-CZ 3.69Å; I278-F282 HydrophobicContact CG1-CD2 3.95Å; I278-F282 HydrophobicContact CG1-CE1 4.36Å; I278-F282 HydrophobicContact CG1-CE2 3.59Å; I278-F282 HydrophobicContact CG1-CG 4.48Å; I278-F282 HydrophobicContact CG1-CZ 3.82Å; I278-F282 WeakPolarHBondContact O-CB 3.37Å; I278-F282 WeakPolarHBondContact O-CG 3.33Å; I278-F282 PolarHBondContact O-N 3.09Å; F282-K285 WeakPolarHBondContact O-CB 3.32Å; F282-K285 PolarHBondContact O-N 3.26Å; F282-L286 WeakPolarHBondContact O-CG 3.3Å; F282-L286 PolarHBondContact O-N 3.27Å; F282-L294 HydrophobicContact CD1-CD1 3.64Å; F282-L294 HydrophobicContact CE1-CD1 3.88Å; F282-F326 HydrophobicContact CD2-CE1 4.39Å; F282-F326 HydrophobicContact CE2-CD1 4.07Å; F282-F326 HydrophobicContact CE2-CE1 4.06Å; F282-V329 HydrophobicContact CE1-CG1 4.15Å; F282-V329 HydrophobicContact CE2-CG1 3.74Å; F282-V329 HydrophobicContact CZ-CG1 3.44Å; F282-V329 VanDerWaalsContact CZ-CG1 3.44Å; F282-F330 HydrophobicContact CE2-CE1 4.25Å; F282-F330 HydrophobicContact CZ-CD1 4.02Å; F282-F330 AromaticContact CZ-CE1 3.78Å; F282-F330 HydrophobicContact CZ-CE1 3.78Å
283	G	98.9	Very high	98.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.8	-49.4	172.2	0	0	0	0	0	111.9	M186 L279 T280 L281 K285 L286 L287	M186-G283 VanDerWaalsContact SD-C 3.55Å; M186-G283 WeakPolarHBondContact SD-CA 3.47Å; L279-G283 PolarHBondContact O-N 3.17Å; T280-G283 PolarHBondContact O-N 2.65Å; L281-G283 VanDerWaalsContact C-N 3.35Å; L281-G283 PolarHBondContact O-N 2.86Å; G283-K285 VanDerWaalsContact C-N 3.32Å; G283-K285 PolarHBondContact O-N 2.81Å; G283-L286 PolarHBondContact O-N 3.41Å; G283-L286 VanDerWaalsContact O-N 3.15Å; G283-L287 WeakPolarHBondContact O-CB 3.32Å; G283-L287 PolarHBondContact O-N 2.95Å
284	F	98.9	Very high	98.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.1	-32.2	175.1	-77.9	-61.1	0	0	0	113.3	M186 M190 F249 L254 P255 T280 L281 L286 L287 Y288 F292	M186-F284 HydrophobicContact CB-CE1 4.2Å; M186-F284 HydrophobicContact CB-CZ 4.2Å; M186-F284 HydrophobicContact CE-CD1 4.19Å; M186-F284 HydrophobicContact CE-CD2 3.57Å; M186-F284 HydrophobicContact CE-CE1 4.26Å; M186-F284 HydrophobicContact CE-CE2 3.64Å; M186-F284 HydrophobicContact CE-CG 3.85Å; M186-F284 HydrophobicContact CE-CZ 3.98Å; M186-F284 HydrophobicContact CG-CD1 4.44Å; M186-F284 HydrophobicContact CG-CE1 4.24Å; M190-F284 HydrophobicContact CE-CE2 4.41Å; M190-F284 HydrophobicContact CE-CZ 3.99Å; M190-F284 HydrophobicContact SD-CE2 3.85Å; M190-F284 HydrophobicContact SD-CZ 4.04Å; F249-F284 HydrophobicContact CD2-CE2 4.49Å; F249-F284 HydrophobicContact CE2-CD2 4.35Å; F249-F284 AromaticContact CE2-CE2 3.87Å; F249-F284 HydrophobicContact CE2-CE2 3.87Å; F249-F284 HydrophobicContact CZ-CD2 4.31Å; F249-F284 HydrophobicContact CZ-CE2 4.22Å; L254-F284 HydrophobicContact CD2-CZ 4.06Å; P255-F284 HydrophobicContact CB-CB 4.45Å; P255-F284 HydrophobicContact CB-CD1 3.79Å; P255-F284 HydrophobicContact CB-CE1 4.17Å; P255-F284 HydrophobicContact CB-CG 4.05Å; P255-F284 HydrophobicContact CG-CB 4.47Å; P255-F284 HydrophobicContact CG-CD1 3.93Å; P255-F284 HydrophobicContact CG-CD2 3.94Å; P255-F284 HydrophobicContact CG-CE1 4.12Å; P255-F284 HydrophobicContact CG-CE2 4.12Å; P255-F284 HydrophobicContact CG-CG 3.85Å; P255-F284 HydrophobicContact CG-CZ 4.22Å; T280-F284 HydrophobicContact CG2-CD2 4.01Å; T280-F284 HydrophobicContact CG2-CE2 3.86Å; T280-F284 WeakPolarHBondContact O-CD2 3.4Å; T280-F284 PolarHBondContact O-N 2.91Å; L281-F284 PolarHBondContact O-N 3.26Å; F284-L286 VanDerWaalsContact C-N 3.28Å; F284-L286 PolarHBondContact O-N 2.83Å; F284-L287 HydrophobicContact CD1-CD2 4.27Å; F284-L287 HydrophobicContact CE1-CD2 4.36Å; F284-L287 PolarHBondContact O-N 3.17Å; F284-Y288 HydrophobicContact CD1-CD2 4.08Å; F284-Y288 HydrophobicContact CD1-CE2 4.09Å; F284-Y288 HydrophobicContact CE1-CE2 4.38Å; F284-Y288 PolarHBondContact O-N 2.94Å; F284-F292 HydrophobicContact CB-CD1 3.72Å; F284-F292 HydrophobicContact CB-CD2 3.9Å; F284-F292 HydrophobicContact CB-CE1 3.73Å; F284-F292 HydrophobicContact CB-CE2 3.9Å; F284-F292 HydrophobicContact CB-CG 3.79Å; F284-F292 HydrophobicContact CB-CZ 3.81Å; F284-F292 HydrophobicContact CG-CE2 4.45Å
285	K	98.9	Very high	98.9	Very high	5 Å²	5	17.5 Å²	17.5	2%	0.022	9%	0.09	C	C	.	.	H	α-helix	trans	-61.9	-36.4	172.1	-179.2	58.6	-177.3	174.7	0	112.3	V211 L281 F282 G283 P289 F292 L294	V211-K285 HydrophobicContact CG2-CB 4.15Å; V211-K285 HydrophobicContact CG2-CG 3.82Å; L281-K285 PolarHBondContact O-N 2.86Å; F282-K285 WeakPolarHBondContact O-CB 3.32Å; F282-K285 PolarHBondContact O-N 3.26Å; G283-K285 VanDerWaalsContact C-N 3.32Å; G283-K285 PolarHBondContact O-N 2.81Å; K285-P289 PolarHBondContact NZ-O 3.29Å; K285-P289 WeakPolarHBondContact O-CA 3.34Å; K285-P289 WeakPolarHBondContact O-CB 3.48Å; K285-F292 HydrophobicContact CB-CD1 4.17Å; K285-F292 WeakPolarHBondContact CD-O 3.49Å; K285-F292 PolarHBondContact NZ-O 3.35Å; K285-L294 HydrophobicContact CB-CD1 4.13Å; K285-L294 HydrophobicContact CG-CD1 4.49Å
286	L	98.9	Very high	98.9	Very high	28 Å²	28	17.4 Å²	17.4	15%	0.147	9%	0.09	C	C	.	.	H	α-helix	trans	-75.6	-36.7	175.5	-70.5	176.4	0	0	0	112.4	V181 I207 Q210 V211 V214 F282 G283 F284	V181-L286 HydrophobicContact CB-CB 4.17Å; V181-L286 HydrophobicContact CG2-CB 3.94Å; V181-L286 HydrophobicContact CG2-CD1 3.76Å; I207-L286 HydrophobicContact CB-CD1 4.32Å; I207-L286 HydrophobicContact CG1-CD1 4.43Å; I207-L286 HydrophobicContact CG2-CD1 4.05Å; Q210-L286 HydrophobicContact CB-CD1 3.86Å; Q210-L286 HydrophobicContact CB-CD2 3.67Å; Q210-L286 HydrophobicContact CB-CG 4.44Å; V211-L286 HydrophobicContact CB-CD1 4.46Å; V211-L286 HydrophobicContact CB-CD2 4.12Å; V211-L286 HydrophobicContact CB-CG 4.21Å; V214-L286 HydrophobicContact CG2-CD2 3.96Å; F282-L286 WeakPolarHBondContact O-CG 3.3Å; F282-L286 PolarHBondContact O-N 3.27Å; G283-L286 PolarHBondContact O-N 3.41Å; G283-L286 VanDerWaalsContact O-N 3.15Å; F284-L286 VanDerWaalsContact C-N 3.28Å; F284-L286 PolarHBondContact O-N 2.83Å
287	L	98.8	Very high	98.9	Very high	35 Å²	35	17 Å²	17	18%	0.183	9%	0.088	C	C	.	.	H	α-helix	trans	-72.5	-39.2	-179.3	-173.2	56.8	0	0	0	112.5	V181 L183 M186 G283 F284	V181-L287 HydrophobicContact CG1-CB 4.09Å; L183-L287 HydrophobicContact CB-CD2 4.11Å; L183-L287 HydrophobicContact CD1-CD2 4.2Å; M186-L287 HydrophobicContact CG-CD2 3.79Å; G283-L287 WeakPolarHBondContact O-CB 3.32Å; G283-L287 PolarHBondContact O-N 2.95Å; F284-L287 HydrophobicContact CD1-CD2 4.27Å; F284-L287 HydrophobicContact CE1-CD2 4.36Å; F284-L287 PolarHBondContact O-N 3.17Å
288	Y	98.8	Very high	98.8	Very high	33 Å²	33	17.1 Å²	17.1	13%	0.129	9%	0.089	C	C	.	.	S	Bend	trans	-132.2	65.2	-176.7	-56.1	-63.3	0	0	0	111.1	P255 E257 F284 D290 H291 F292	P255-Y288 HydrophobicContact CB-CD2 4.36Å; P255-Y288 WeakPolarHBondContact O-CE2 3.37Å; E257-Y288 HydrophobicContact CG-CD1 4Å; E257-Y288 HydrophobicContact CG-CE1 4.35Å; F284-Y288 HydrophobicContact CD1-CD2 4.08Å; F284-Y288 HydrophobicContact CD1-CE2 4.09Å; F284-Y288 HydrophobicContact CE1-CE2 4.38Å; F284-Y288 PolarHBondContact O-N 2.94Å; Y288-D290 PolarHBondContact O-N 3.37Å; Y288-D290 VanDerWaalsContact O-N 3.11Å; Y288-H291 PolarHBondContact O-N 3Å; Y288-F292 WeakPolarHBondContact O-CB 3.07Å; Y288-F292 PolarHBondContact O-N 3.19Å
289	P	98.6	Very high	98.8	Very high	48 Å²	48	17.5 Å²	17.5	31%	0.312	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.4	-169.8	23.8	-34.6	0	0	0	114.6	V214 K285	V214-P289 HydrophobicContact CG1-CB 4.35Å; K285-P289 PolarHBondContact NZ-O 3.29Å; K285-P289 WeakPolarHBondContact O-CA 3.34Å; K285-P289 WeakPolarHBondContact O-CB 3.48Å
290	D	98.3	Very high	98.8	Very high	124 Å²	124	17.5 Å²	17.5	66%	0.663	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-5.4	-179.1	-58.5	-46.3	0	0	0	113.9	Y288 H293	Y288-D290 PolarHBondContact O-N 3.37Å; Y288-D290 VanDerWaalsContact O-N 3.11Å; D290-H293 PolarHBondContact O-CE1 3.1Å; D290-H293 PolarHBondContact O-NE2 2.98Å
291	H	98.8	Very high	98.6	Very high	64 Å²	64	17.8 Å²	17.8	30%	0.296	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-6.9	-174.5	-59.9	91.1	0	0	0	113	E257 P260 Y261 Y288	E257-H291 PolarHBondContact O-CD2 2.9Å; E257-H291 VanDerWaalsContact O-CD2 3.24Å; P260-H291 CarbonylContact C-O 3.57Å; P260-H291 WeakPolarHBondContact CA-O 3.31Å; P260-H291 HydrophobicContact CB-CB 3.95Å; P260-H291 WeakPolarHBondContact CB-O 3.43Å; Y261-H291 PolarHBondContact N-O 2.77Å; Y288-H291 PolarHBondContact O-N 3Å
292	F	98.9	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.1	173.1	-160.4	-99.1	0	0	0	109.4	P255 Y261 F263 L281 F284 K285 Y288 L294	P255-F292 HydrophobicContact CB-CD2 3.63Å; P255-F292 HydrophobicContact CB-CE2 3.83Å; P255-F292 HydrophobicContact CG-CD2 3.86Å; P255-F292 HydrophobicContact CG-CE2 3.48Å; P255-F292 VanDerWaalsContact CG-CE2 3.48Å; P255-F292 HydrophobicContact CG-CZ 4.48Å; Y261-F292 HydrophobicContact CG-CE2 4.3Å; Y261-F292 WeakPolarHBondContact O-CA 2.91Å; F263-F292 HydrophobicContact CD2-CE1 4.35Å; F263-F292 HydrophobicContact CD2-CE2 4.02Å; F263-F292 AromaticContact CD2-CZ 3.65Å; F263-F292 HydrophobicContact CD2-CZ 3.65Å; F263-F292 AromaticContact CE2-CE2 3.61Å; F263-F292 HydrophobicContact CE2-CE2 3.61Å; F263-F292 AromaticContact CE2-CZ 3.49Å; F263-F292 HydrophobicContact CE2-CZ 3.49Å; F263-F292 VanDerWaalsContact CE2-CZ 3.49Å; L281-F292 HydrophobicContact CB-CE1 4.18Å; L281-F292 HydrophobicContact CD2-CE1 4Å; L281-F292 HydrophobicContact CD2-CZ 3.6Å; L281-F292 WeakPolarHBondContact O-CE1 3.25Å; F284-F292 HydrophobicContact CB-CD1 3.72Å; F284-F292 HydrophobicContact CB-CD2 3.9Å; F284-F292 HydrophobicContact CB-CE1 3.73Å; F284-F292 HydrophobicContact CB-CE2 3.9Å; F284-F292 HydrophobicContact CB-CG 3.79Å; F284-F292 HydrophobicContact CB-CZ 3.81Å; F284-F292 HydrophobicContact CG-CE2 4.45Å; K285-F292 HydrophobicContact CB-CD1 4.17Å; K285-F292 WeakPolarHBondContact CD-O 3.49Å; K285-F292 PolarHBondContact NZ-O 3.35Å; Y288-F292 WeakPolarHBondContact O-CB 3.07Å; Y288-F292 PolarHBondContact O-N 3.19Å; F292-L294 HydrophobicContact CD1-CD2 4.33Å; F292-L294 HydrophobicContact CD1-CG 4.4Å; F292-L294 HydrophobicContact CE1-CD2 3.78Å; F292-L294 HydrophobicContact CE1-CG 4.27Å
293	H	98.9	Very high	97.7	Very high	13 Å²	13	22.4 Å²	22.4	6%	0.06	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.8	-170.1	-50.5	-80.2	0	0	0	110.2	Y261 L262 F263 D290 Q337	Y261-H293 PolarHBondContact O-CD2 3.35Å; Y261-H293 PolarHBondContact O-N 3.37Å; L262-H293 WeakPolarHBondContact CA-O 3.18Å; L262-H293 HydrophobicContact CB-CB 4.27Å; L262-H293 HydrophobicContact CD1-CB 3.75Å; F263-H293 PolarHBondContact N-O 3.38Å; D290-H293 PolarHBondContact O-CE1 3.1Å; D290-H293 PolarHBondContact O-NE2 2.98Å; H293-Q337 VanDerWaalsContact CB-OE1 3.24Å
294	L	98.9	Very high	97.3	Very high	5 Å²	5	23 Å²	23	3%	0.026	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.2	179.6	-61.5	177.8	0	0	0	107.6	F263 F267 L281 F282 K285 F292 L333	F263-L294 HydrophobicContact CB-CD2 3.88Å; F263-L294 HydrophobicContact CD2-CD2 4.43Å; F263-L294 HydrophobicContact CG-CD2 4.46Å; F267-L294 HydrophobicContact CE1-CD2 4.1Å; F267-L294 HydrophobicContact CE2-CB 4.32Å; F267-L294 HydrophobicContact CZ-CB 3.89Å; F267-L294 HydrophobicContact CZ-CD2 3.87Å; F267-L294 HydrophobicContact CZ-CG 4.41Å; L281-L294 HydrophobicContact CB-CD1 4.24Å; L281-L294 HydrophobicContact CB-CD2 4.08Å; L281-L294 HydrophobicContact CD1-CD2 4.26Å; F282-L294 HydrophobicContact CD1-CD1 3.64Å; F282-L294 HydrophobicContact CE1-CD1 3.88Å; K285-L294 HydrophobicContact CB-CD1 4.13Å; K285-L294 HydrophobicContact CG-CD1 4.49Å; F292-L294 HydrophobicContact CD1-CD2 4.33Å; F292-L294 HydrophobicContact CD1-CG 4.4Å; F292-L294 HydrophobicContact CE1-CD2 3.78Å; F292-L294 HydrophobicContact CE1-CG 4.27Å; L294-L333 HydrophobicContact CB-CD2 3.7Å
295	L	98.9	Very high	97.1	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	152.6	171.1	-63.3	179.5	0	0	0	110.3	L262 F263 N264 G265 F267 P334 Q337 V345	L262-L295 HydrophobicContact CD1-CD1 3.86Å; L262-L295 HydrophobicContact CD1-CG 3.71Å; F263-L295 PolarHBondContact O-N 3.38Å; N264-L295 WeakPolarHBondContact OD1-CD1 3.48Å; G265-L295 WeakPolarHBondContact CA-O 3.34Å; G265-L295 PolarHBondContact N-O 2.99Å; G265-L295 VanDerWaalsContact N-O 3.16Å; F267-L295 WeakPolarHBondContact CZ-O 3.4Å; L295-P334 WeakPolarHBondContact CA-O 3.34Å; L295-P334 HydrophobicContact CD2-CB 3.89Å; L295-Q337 HydrophobicContact CD1-CB 3.96Å; L295-Q337 HydrophobicContact CD2-CB 4.12Å; L295-Q337 HydrophobicContact CG-CB 4.49Å; L295-V345 HydrophobicContact CD1-CB 4.25Å; L295-V345 HydrophobicContact CD1-CG1 4.15Å
296	R	98.9	Very high	96.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.			trans	-74.6	131.7	177.2	-158.4	174.1	-177.5	-179.5	0.5	110	E300 F330 L333 P334 L335 H347 R366 R368 L380	R296-E300 HydrophobicContact CG-CB 3.88Å; R296-E300 PolarHBondContact NE-O 3.22Å; R296-E300 VanDerWaalsContact NE-O 3.1Å; R296-E300 PolarHBondContact NH2-O 3.24Å; R296-F330 WeakPolarHBondContact CD-O 3.4Å; R296-F330 PolarHBondContact NE-O 3.2Å; R296-L333 HydrophobicContact CB-CB 3.7Å; R296-L333 HydrophobicContact CB-CD1 4.43Å; R296-L333 HydrophobicContact CG-CB 4.04Å; R296-L333 HydrophobicContact CG-CD1 4.25Å; R296-P334 PolarHBondContact N-O 2.8Å; R296-L335 HydrophobicContact CB-CD2 4.09Å; R296-H347 WeakPolarHBondContact O-CB 3.4Å; R296-R366 PolarHBondContact NH1-O 3.34Å; R296-R368 PolarHBondContact NH1-O 2.9Å; R296-R368 PolarHBondContact NH2-O 3.4Å; R296-L380 HydrophobicContact CB-CD2 4.13Å; R296-L380 HydrophobicContact CG-CD2 4.41Å; R296-L380 WeakPolarHBondContact O-CD2 3.39Å
297	G	98.8	Very high	95.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.			trans	-101.5	179	164.6	0	0	0	0	0	112.1	D266 H299 E300 H347	D266-G297 VanDerWaalsContact OD1-C 3.32Å; D266-G297 VanDerWaalsContact OD1-CA 3.28Å; D266-G297 WeakPolarHBondContact OD1-CA 3.2Å; G297-H299 PolarHBondContact O-N 3.06Å; G297-E300 VanDerWaalsContact CA-OE2 3.24Å; G297-E300 WeakPolarHBondContact CA-OE2 3.42Å; G297-E300 PolarHBondContact N-OE2 2.92Å; G297-E300 PolarHBondContact O-N 2.91Å; G297-H347 VanDerWaalsContact CA-CG 3.43Å
298	N	98.1	Very high	95.4	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.2	176.9	62.8	-70	0	0	0	112.3	D266 E300 T301 M304 H347 L380 W381 H422	D266-N298 PolarHBondContact OD1-N 3.43Å; D266-N298 PolarHBondContact OD1-OD1 2.83Å; D266-N298 PolarHBondContact OD2-OD1 2.69Å; N298-E300 VanDerWaalsContact C-N 3.35Å; N298-T301 WeakPolarHBondContact O-CB 3.16Å; N298-T301 WeakPolarHBondContact O-CG2 3.45Å; N298-T301 PolarHBondContact O-OG1 2.93Å; N298-M304 WeakPolarHBondContact O-CG 3.49Å; N298-H347 PolarHBondContact OD1-CD2 2.83Å; N298-H347 PolarHBondContact OD1-NE2 2.82Å; N298-L380 HydrophobicContact CB-CB 4.34Å; N298-W381 HydrophobicContact CB-CD2 3.78Å; N298-W381 VanDerWaalsContact CB-CE2 3.43Å; N298-W381 HydrophobicContact CB-CE3 4.19Å; N298-W381 HydrophobicContact CB-CG 4.35Å; N298-W381 HydrophobicContact CB-CH2 4.07Å; N298-W381 HydrophobicContact CB-CZ2 3.6Å; N298-W381 HydrophobicContact CB-CZ3 4.33Å; N298-W381 WeakPolarHBondContact ND2-CH2 3.45Å; N298-W381 WeakPolarHBondContact ND2-CZ3 3.37Å; N298-H422 PolarHBondContact OD1-CE1 3.01Å; N298-H422 PolarHBondContact OD1-ND1 3.35Å
299	H	97.9	Very high	95.2	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.037	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-7.6	175.3	-80.7	-92.5	0	0	0	114.1	H239 D266 D269 G297 T301 N305 Y308	H239-H299 AromaticContact CE1-CD2 3.64Å; H239-H299 AromaticContact CE1-CG 3.88Å; D266-H299 HydrophobicContact CB-CB 4.42Å; D266-H299 WeakPolarHBondContact OD1-CB 2.96Å; D266-H299 IonicContact OD1-CD2 3.43Å; D266-H299 PolarHBondContact OD1-N 2.99Å; D266-H299 IonicContact OD2-CD2 2.69Å; D266-H299 PolarHBondContact OD2-CD2 3.02Å; D266-H299 IonicContact OD2-CG 2.75Å; D269-H299 HydrophobicContact CB-CB 4.4Å; D269-H299 WeakPolarHBondContact CB-ND1 3.27Å; D269-H299 IonicContact OD2-CE1 3.37Å; D269-H299 IonicContact OD2-CG 3Å; D269-H299 IonicContact OD2-ND1 3.72Å; D269-H299 PolarHBondContact OD2-ND1 2.97Å; G297-H299 PolarHBondContact O-N 3.06Å; H299-T301 PolarHBondContact O-N 3.43Å; H299-N305 PolarHBondContact O-ND2 3.09Å; H299-Y308 AromaticContact CE1-CD2 3.63Å; H299-Y308 AromaticContact CE1-CG 3.81Å
300	E	98.7	Very high	95.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-85.4	48.8	166.1	-73.5	72.7	-131.3	0	0	111.4	D266 F267 R296 G297 N298 F330 L333	D266-E300 WeakPolarHBondContact CA-OE1 3.25Å; D266-E300 PolarHBondContact N-OE1 3.39Å; D266-E300 PolarHBondContact N-OE2 2.85Å; F267-E300 HydrophobicContact CD2-CG 3.85Å; F267-E300 WeakPolarHBondContact CD2-OE1 3.34Å; F267-E300 HydrophobicContact CE2-CG 4.12Å; F267-E300 PolarHBondContact N-OE1 3.43Å; R296-E300 HydrophobicContact CG-CB 3.88Å; R296-E300 PolarHBondContact NE-O 3.22Å; R296-E300 VanDerWaalsContact NE-O 3.1Å; R296-E300 PolarHBondContact NH2-O 3.24Å; G297-E300 VanDerWaalsContact CA-OE2 3.24Å; G297-E300 WeakPolarHBondContact CA-OE2 3.42Å; G297-E300 PolarHBondContact N-OE2 2.92Å; G297-E300 PolarHBondContact O-N 2.91Å; N298-E300 VanDerWaalsContact C-N 3.35Å; E300-F330 HydrophobicContact CB-CB 4.02Å; E300-F330 HydrophobicContact CB-CD1 4.22Å; E300-F330 HydrophobicContact CB-CD2 3.94Å; E300-F330 HydrophobicContact CB-CE2 4.43Å; E300-F330 HydrophobicContact CB-CG 3.82Å; E300-F330 HydrophobicContact CG-CD1 3.92Å; E300-F330 HydrophobicContact CG-CD2 4.16Å; E300-F330 HydrophobicContact CG-CE1 4Å; E300-F330 HydrophobicContact CG-CE2 4.22Å; E300-F330 HydrophobicContact CG-CG 4.01Å; E300-F330 HydrophobicContact CG-CZ 4.15Å; E300-L333 HydrophobicContact CB-CD1 4Å; E300-L333 HydrophobicContact CG-CD1 3.75Å
301	T	96	Very high	95.1	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.031	7%	0.068	C	C	.	.	S	Bend	trans	-141.6	147.7	-177.3	72.1	0	0	0	0	112.3	N298 H299 N303 M304 N305 P370	N298-T301 WeakPolarHBondContact O-CB 3.16Å; N298-T301 WeakPolarHBondContact O-CG2 3.45Å; N298-T301 PolarHBondContact O-OG1 2.93Å; H299-T301 PolarHBondContact O-N 3.43Å; T301-N303 VanDerWaalsContact C-N 3.31Å; T301-N303 PolarHBondContact O-N 3.37Å; T301-M304 PolarHBondContact O-N 3.14Å; T301-M304 VanDerWaalsContact O-N 3.15Å; T301-M304 WeakPolarHBondContact OG1-CG 3.18Å; T301-N305 PolarHBondContact O-N 3.03Å; T301-N305 PolarHBondContact O-OD1 3.06Å; T301-P370 HydrophobicContact CG2-CG 3.68Å
302	D	92.4	Very high	95	Very high	37 Å²	37	11.7 Å²	11.7	20%	0.198	7%	0.066	C	C	.	.	H	α-helix	trans	-63.4	-39.7	-172.9	-62.4	-4.4	0	0	0	111.8	M304 N305 Q306 S327 Q369	D302-M304 VanDerWaalsContact C-N 3.28Å; D302-M304 PolarHBondContact O-N 3.04Å; D302-N305 PolarHBondContact O-N 3.07Å; D302-Q306 WeakPolarHBondContact O-CB 3.48Å; D302-Q306 WeakPolarHBondContact O-CG 3.31Å; D302-Q306 PolarHBondContact O-N 3.49Å; D302-S327 VanDerWaalsContact CG-OG 3.29Å; D302-S327 VanDerWaalsContact OD1-CB 3.22Å; D302-S327 WeakPolarHBondContact OD1-CB 3.5Å; D302-S327 PolarHBondContact OD1-OG 3.48Å; D302-S327 PolarHBondContact OD2-OG 2.85Å; D302-Q369 VanDerWaalsContact CG-CD 3.47Å; D302-Q369 PolarHBondContact OD1-NE2 2.75Å; D302-Q369 PolarHBondContact OD2-NE2 2.86Å; D302-Q369 VanDerWaalsContact OD2-NE2 3.14Å
303	N	87.2	Confident	95	Very high	61 Å²	61	11.7 Å²	11.7	33%	0.326	7%	0.067	S	C	.	.	H	α-helix	trans	-61.3	-39.2	179.9	-74.8	-22.8	0	0	0	111.5	K141 T301 M307	K141-N303 PolarHBondContact NZ-OD1 3.43Å; T301-N303 VanDerWaalsContact C-N 3.31Å; T301-N303 PolarHBondContact O-N 3.37Å; N303-M307 VanDerWaalsContact O-CG 3.29Å; N303-M307 WeakPolarHBondContact O-CG 3.21Å
304	M	89.3	Confident	95	Very high	12 Å²	12	11.1 Å²	11.1	6%	0.059	6%	0.064	C	C	.	.	H	α-helix	trans	-75	-47.3	177.6	-65.4	-55.2	97.6	0	0	110.6	N298 T301 D302 Q306 M307 Y308 W381	N298-M304 WeakPolarHBondContact O-CG 3.49Å; T301-M304 PolarHBondContact O-N 3.14Å; T301-M304 VanDerWaalsContact O-N 3.15Å; T301-M304 WeakPolarHBondContact OG1-CG 3.18Å; D302-M304 VanDerWaalsContact C-N 3.28Å; D302-M304 PolarHBondContact O-N 3.04Å; M304-Q306 VanDerWaalsContact C-N 3.29Å; M304-Q306 PolarHBondContact O-N 3.44Å; M304-M307 PolarHBondContact O-N 2.78Å; M304-Y308 HydrophobicContact CB-CD2 4.17Å; M304-Y308 HydrophobicContact CE-CE2 4.24Å; M304-Y308 WeakPolarHBondContact O-CD2 3.36Å; M304-Y308 PolarHBondContact O-N 3.19Å; M304-Y308 HydrophobicContact SD-CD2 3.9Å; M304-Y308 HydrophobicContact SD-CE2 3.49Å; M304-Y308 WeakPolarHBondContact SD-CE2 3.43Å; M304-W381 HydrophobicContact CE-CH2 4.05Å; M304-W381 HydrophobicContact CE-CZ2 4.25Å; M304-W381 HydrophobicContact CG-CH2 4.37Å; M304-W381 HydrophobicContact CG-CZ2 4.32Å; M304-W381 HydrophobicContact SD-CH2 3.65Å; M304-W381 HydrophobicContact SD-CZ2 4.11Å
305	N	95.3	Very high	94.9	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-35.4	-176.3	-62.2	156.9	0	0	0	113.9	D269 H299 T301 D302 M307 F310 E311 F323	D269-N305 WeakPolarHBondContact OD1-CA 3.4Å; D269-N305 WeakPolarHBondContact OD2-CA 3.4Å; D269-N305 PolarHBondContact OD2-N 3.25Å; D269-N305 PolarHBondContact OD2-ND2 3.08Å; H299-N305 PolarHBondContact O-ND2 3.09Å; T301-N305 PolarHBondContact O-N 3.03Å; T301-N305 PolarHBondContact O-OD1 3.06Å; D302-N305 PolarHBondContact O-N 3.07Å; N305-M307 PolarHBondContact O-N 3.23Å; N305-F310 HydrophobicContact CB-CB 4.07Å; N305-F310 HydrophobicContact CB-CD1 4.19Å; N305-E311 HydrophobicContact CB-CB 4.33Å; N305-E311 WeakPolarHBondContact O-CB 3.42Å; N305-E311 PolarHBondContact O-N 2.94Å; N305-E311 VanDerWaalsContact O-N 3.07Å; N305-F323 HydrophobicContact CB-CE2 3.64Å; N305-F323 HydrophobicContact CB-CZ 3.85Å
306	Q	88.6	Confident	94.8	Very high	34 Å²	34	18 Å²	18	16%	0.159	11%	0.106	C	C	.	.	H	α-helix	trans	-62.5	-31.4	174	-76.7	177.3	-7.2	0	0	112.5	K141 D302 M304 E311	K141-Q306 VanDerWaalsContact CE-OE1 3.26Å; D302-Q306 WeakPolarHBondContact O-CB 3.48Å; D302-Q306 WeakPolarHBondContact O-CG 3.31Å; D302-Q306 PolarHBondContact O-N 3.49Å; M304-Q306 VanDerWaalsContact C-N 3.29Å; M304-Q306 PolarHBondContact O-N 3.44Å; Q306-E311 VanDerWaalsContact CG-OE2 3.31Å; Q306-E311 WeakPolarHBondContact CG-OE2 3.24Å
307	M	83	Confident	94.8	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-97.8	-38.1	-171.4	-66.6	-60.9	-66.6	0	0	112.7	M102 F107 I137 N303 M304 N305 A485 N486 M489	M102-M307 HydrophobicContact CE-CE 3.87Å; M102-M307 HydrophobicContact CE-SD 4.04Å; M102-M307 HydrophobicContact CG-CE 4.25Å; F107-M307 HydrophobicContact CE1-SD 4.23Å; I137-M307 HydrophobicContact CD1-SD 4.47Å; N303-M307 VanDerWaalsContact O-CG 3.29Å; N303-M307 WeakPolarHBondContact O-CG 3.21Å; M304-M307 PolarHBondContact O-N 2.78Å; N305-M307 PolarHBondContact O-N 3.23Å; M307-A485 WeakPolarHBondContact O-CB 3.34Å; M307-N486 PolarHBondContact O-N 3.37Å; M307-M489 HydrophobicContact CB-CG 4.45Å; M307-M489 HydrophobicContact CE-CG 3.67Å; M307-M489 HydrophobicContact CE-SD 3.73Å; M307-M489 WeakPolarHBondContact O-CG 3.28Å
308	Y	88.6	Confident	94.8	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.02	12%	0.117	C	C	.	.	H	α-helix	trans	-110.4	2	-163.4	-65.8	-76.9	0	0	0	115.5	Y73 D269 R270 H299 M304 M482 M489	Y73-Y308 PolarHBondContact OH-OH 3.32Å; D269-Y308 VanDerWaalsContact OD1-C 3.3Å; R270-Y308 PolarHBondContact N-O 2.89Å; H299-Y308 AromaticContact CE1-CD2 3.63Å; H299-Y308 AromaticContact CE1-CG 3.81Å; M304-Y308 HydrophobicContact CB-CD2 4.17Å; M304-Y308 HydrophobicContact CE-CE2 4.24Å; M304-Y308 WeakPolarHBondContact O-CD2 3.36Å; M304-Y308 PolarHBondContact O-N 3.19Å; M304-Y308 HydrophobicContact SD-CD2 3.9Å; M304-Y308 HydrophobicContact SD-CE2 3.49Å; M304-Y308 WeakPolarHBondContact SD-CE2 3.43Å; Y308-M482 HydrophobicContact CD1-SD 4.12Å; Y308-M489 HydrophobicContact CD1-CE 4.11Å; Y308-M489 HydrophobicContact CE1-CE 3.29Å
309	G	94.9	Very high	94.7	Very high	5 Å²	5	23 Å²	23	5%	0.052	13%	0.131	C	C	.	.	S	Bend	trans	130.2	-29.1	160.6	0	0	0	0	0	115.7	D269 E311 G312 E313	D269-G309 PolarHBondContact OD1-N 2.83Å; G309-E311 PolarHBondContact O-N 3Å; G309-G312 PolarHBondContact O-N 3.09Å; G309-G312 VanDerWaalsContact O-N 3.12Å; G309-E313 WeakPolarHBondContact O-CB 3.44Å; G309-E313 PolarHBondContact O-N 3.24Å
310	F	98.4	Very high	94.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-42.5	-170.7	-176.8	-120.1	0	0	0	112.9	V268 D269 V275 I278 N305 G312 E313 V314 F323 F326 F330	V268-F310 HydrophobicContact CB-CB 4.01Å; V268-F310 HydrophobicContact CB-CD1 4.29Å; V268-F310 HydrophobicContact CB-CD2 3.71Å; V268-F310 HydrophobicContact CB-CE2 4.21Å; V268-F310 HydrophobicContact CB-CG 3.74Å; V268-F310 HydrophobicContact CG1-CD1 4.41Å; V268-F310 HydrophobicContact CG1-CD2 3.68Å; V268-F310 HydrophobicContact CG1-CE1 4.4Å; V268-F310 HydrophobicContact CG1-CE2 3.65Å; V268-F310 HydrophobicContact CG1-CG 4.06Å; V268-F310 HydrophobicContact CG1-CZ 4.02Å; V268-F310 HydrophobicContact CG2-CB 4.04Å; V268-F310 HydrophobicContact CG2-CD1 4.01Å; V268-F310 HydrophobicContact CG2-CD2 4.32Å; V268-F310 HydrophobicContact CG2-CG 3.86Å; D269-F310 WeakPolarHBondContact OD1-CB 3.28Å; D269-F310 PolarHBondContact OD1-N 3.35Å; V275-F310 HydrophobicContact CG2-CE2 4.15Å; I278-F310 HydrophobicContact CG2-CE2 3.94Å; I278-F310 HydrophobicContact CG2-CZ 3.98Å; N305-F310 HydrophobicContact CB-CB 4.07Å; N305-F310 HydrophobicContact CB-CD1 4.19Å; F310-G312 VanDerWaalsContact C-N 3.31Å; F310-G312 PolarHBondContact O-N 2.89Å; F310-E313 PolarHBondContact O-N 3Å; F310-V314 HydrophobicContact CD1-CG2 4.36Å; F310-V314 HydrophobicContact CD2-CG2 3.94Å; F310-V314 HydrophobicContact CE1-CG2 3.97Å; F310-V314 HydrophobicContact CE2-CG2 3.52Å; F310-V314 HydrophobicContact CG-CG2 4.36Å; F310-V314 HydrophobicContact CZ-CG2 3.54Å; F310-V314 VanDerWaalsContact O-CG2 3.3Å; F310-V314 WeakPolarHBondContact O-CG2 3.31Å; F310-V314 PolarHBondContact O-N 2.79Å; F310-F323 HydrophobicContact CD1-CD2 4.35Å; F310-F323 HydrophobicContact CD1-CE2 4.13Å; F310-F323 HydrophobicContact CE1-CD2 4.45Å; F310-F326 HydrophobicContact CE1-CB 3.95Å; F310-F326 HydrophobicContact CE1-CD1 4.24Å; F310-F326 HydrophobicContact CE1-CD2 4.44Å; F310-F326 AromaticContact CE1-CG 4Å; F310-F326 HydrophobicContact CE1-CG 4Å; F310-F326 HydrophobicContact CZ-CB 4.29Å; F310-F326 AromaticContact CZ-CD1 3.8Å; F310-F326 HydrophobicContact CZ-CD1 3.8Å; F310-F326 HydrophobicContact CZ-CD2 4.07Å; F310-F326 HydrophobicContact CZ-CE1 4.03Å; F310-F326 HydrophobicContact CZ-CE2 4.3Å; F310-F326 AromaticContact CZ-CG 3.82Å; F310-F326 HydrophobicContact CZ-CG 3.82Å; F310-F326 HydrophobicContact CZ-CZ 4.29Å; F310-F330 AromaticContact CD1-CE2 3.86Å; F310-F330 HydrophobicContact CD1-CE2 3.86Å; F310-F330 HydrophobicContact CD1-CZ 4.25Å; F310-F330 AromaticContact CE1-CE2 3.43Å; F310-F330 HydrophobicContact CE1-CE2 3.43Å; F310-F330 VanDerWaalsContact CE1-CE2 3.43Å; F310-F330 AromaticContact CE1-CZ 3.53Å; F310-F330 HydrophobicContact CE1-CZ 3.53Å; F310-F330 HydrophobicContact CZ-CE2 4.31Å; F310-F330 AromaticContact CZ-CZ 3.94Å; F310-F330 HydrophobicContact CZ-CZ 3.94Å
311	E	96.8	Very high	94.2	Very high	24 Å²	24	29.3 Å²	29.3	11%	0.112	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-43.8	176.3	-176.7	-175	-148.4	0	0	111	N305 Q306 G309 K315 F323	N305-E311 HydrophobicContact CB-CB 4.33Å; N305-E311 WeakPolarHBondContact O-CB 3.42Å; N305-E311 PolarHBondContact O-N 2.94Å; N305-E311 VanDerWaalsContact O-N 3.07Å; Q306-E311 VanDerWaalsContact CG-OE2 3.31Å; Q306-E311 WeakPolarHBondContact CG-OE2 3.24Å; G309-E311 PolarHBondContact O-N 3Å; E311-K315 HydrophobicContact CG-CD 4.03Å; E311-K315 VanDerWaalsContact CG-CE 3.48Å; E311-K315 WeakPolarHBondContact O-CB 3.45Å; E311-K315 VanDerWaalsContact O-CG 3.28Å; E311-K315 WeakPolarHBondContact O-CG 3.35Å; E311-K315 PolarHBondContact O-N 3.36Å; E311-K315 VanDerWaalsContact OE1-CE 3.29Å; E311-K315 WeakPolarHBondContact OE1-CE 3.46Å; E311-K315 IonicContact OE1-NZ 3.44Å; E311-K315 PolarHBondContact OE1-NZ 3.38Å; E311-K315 IonicContact OE2-NZ 3.99Å; E311-K315 PolarHBondContact OE2-NZ 2.83Å; E311-F323 HydrophobicContact CB-CD1 4.35Å; E311-F323 HydrophobicContact CB-CD2 3.86Å; E311-F323 HydrophobicContact CB-CE1 4.11Å; E311-F323 HydrophobicContact CB-CE2 3.61Å; E311-F323 HydrophobicContact CB-CG 4.22Å; E311-F323 HydrophobicContact CB-CZ 3.74Å; E311-F323 HydrophobicContact CG-CD1 3.59Å; E311-F323 HydrophobicContact CG-CD2 3.9Å; E311-F323 HydrophobicContact CG-CE1 3.63Å; E311-F323 HydrophobicContact CG-CE2 3.95Å; E311-F323 HydrophobicContact CG-CG 3.71Å; E311-F323 HydrophobicContact CG-CZ 3.82Å; E311-F323 WeakPolarHBondContact OE1-CE1 3.43Å
312	G	96.3	Very high	94.2	Very high	25 Å²	25	29.1 Å²	29.1	26%	0.258	17%	0.166	S	C	.	.	H	α-helix	trans	-63.8	-41.5	177.7	0	0	0	0	0	112.2	G309 F310 K315 A316	G309-G312 PolarHBondContact O-N 3.09Å; G309-G312 VanDerWaalsContact O-N 3.12Å; F310-G312 VanDerWaalsContact C-N 3.31Å; F310-G312 PolarHBondContact O-N 2.89Å; G312-K315 PolarHBondContact O-N 3.39Å; G312-A316 WeakPolarHBondContact O-CB 3.23Å; G312-A316 PolarHBondContact O-N 2.79Å
313	E	98.6	Very high	94.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-45.9	179.5	-171.4	-176.4	149.1	0	0	111	S274 V275 G309 F310 K315 A316 K317 Y484	S274-E313 WeakPolarHBondContact CB-OE2 3.33Å; S274-E313 PolarHBondContact N-OE1 2.9Å; S274-E313 PolarHBondContact N-OE2 3.1Å; S274-E313 PolarHBondContact OG-OE2 2.7Å; V275-E313 VanDerWaalsContact CB-OE1 3.32Å; V275-E313 WeakPolarHBondContact CB-OE1 3.46Å; V275-E313 HydrophobicContact CG2-CG 3.9Å; V275-E313 WeakPolarHBondContact CG2-OE1 3.41Å; V275-E313 PolarHBondContact N-OE1 3.23Å; G309-E313 WeakPolarHBondContact O-CB 3.44Å; G309-E313 PolarHBondContact O-N 3.24Å; F310-E313 PolarHBondContact O-N 3Å; E313-K315 PolarHBondContact O-N 3.1Å; E313-A316 PolarHBondContact O-N 2.79Å; E313-K317 HydrophobicContact CG-CD 3.98Å; E313-K317 WeakPolarHBondContact O-CB 3.42Å; E313-K317 WeakPolarHBondContact O-CG 3.08Å; E313-K317 PolarHBondContact O-N 3.38Å; E313-K317 IonicContact OE1-NZ 2.64Å; E313-K317 PolarHBondContact OE1-NZ 3.34Å; E313-Y484 HydrophobicContact CB-CD2 3.67Å; E313-Y484 HydrophobicContact CB-CE2 4.3Å; E313-Y484 HydrophobicContact CB-CG 3.81Å; E313-Y484 HydrophobicContact CG-CD2 3.67Å; E313-Y484 HydrophobicContact CG-CE2 3.79Å; E313-Y484 HydrophobicContact CG-CG 4.2Å
314	V	98.7	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-41.6	176.2	175	0	0	0	0	111	V275 F310 A316 Y318 T319 M322 F323 F326	V275-V314 HydrophobicContact CG2-CG2 3.83Å; F310-V314 HydrophobicContact CD1-CG2 4.36Å; F310-V314 HydrophobicContact CD2-CG2 3.94Å; F310-V314 HydrophobicContact CE1-CG2 3.97Å; F310-V314 HydrophobicContact CE2-CG2 3.52Å; F310-V314 HydrophobicContact CG-CG2 4.36Å; F310-V314 HydrophobicContact CZ-CG2 3.54Å; F310-V314 VanDerWaalsContact O-CG2 3.3Å; F310-V314 WeakPolarHBondContact O-CG2 3.31Å; F310-V314 PolarHBondContact O-N 2.79Å; V314-A316 VanDerWaalsContact C-N 3.33Å; V314-A316 PolarHBondContact O-N 2.82Å; V314-Y318 CarbonylContact O-C 3.57Å; V314-Y318 VanDerWaalsContact O-CA 3.31Å; V314-Y318 WeakPolarHBondContact O-CA 3.41Å; V314-Y318 WeakPolarHBondContact O-CB 3.44Å; V314-Y318 PolarHBondContact O-N 3.07Å; V314-T319 PolarHBondContact O-N 3.06Å; V314-M322 HydrophobicContact CG1-CB 3.87Å; V314-M322 HydrophobicContact CG1-CG 3.83Å; V314-F323 HydrophobicContact CB-CB 4.18Å; V314-F323 HydrophobicContact CG1-CB 3.75Å; V314-F326 HydrophobicContact CG1-CD2 4.03Å; V314-F326 HydrophobicContact CG1-CE2 4.16Å; V314-F326 HydrophobicContact CG2-CD2 3.96Å; V314-F326 HydrophobicContact CG2-CE2 3.98Å
315	K	97.3	Very high	95.2	Very high	86 Å²	86	29.2 Å²	29.2	37%	0.374	16%	0.163	S	C	.	.	H	α-helix	trans	-66.5	-33.9	176.4	-75.1	173.4	-176.1	169.9	0	112.6	E311 G312 E313 A320	E311-K315 HydrophobicContact CG-CD 4.03Å; E311-K315 VanDerWaalsContact CG-CE 3.48Å; E311-K315 WeakPolarHBondContact O-CB 3.45Å; E311-K315 VanDerWaalsContact O-CG 3.28Å; E311-K315 WeakPolarHBondContact O-CG 3.35Å; E311-K315 PolarHBondContact O-N 3.36Å; E311-K315 VanDerWaalsContact OE1-CE 3.29Å; E311-K315 WeakPolarHBondContact OE1-CE 3.46Å; E311-K315 IonicContact OE1-NZ 3.44Å; E311-K315 PolarHBondContact OE1-NZ 3.38Å; E311-K315 IonicContact OE2-NZ 3.99Å; E311-K315 PolarHBondContact OE2-NZ 2.83Å; G312-K315 PolarHBondContact O-N 3.39Å; E313-K315 PolarHBondContact O-N 3.1Å; K315-A320 HydrophobicContact CG-CB 4.33Å
316	A	97.8	Very high	95.3	Very high	66 Å²	66	29.1 Å²	29.1	55%	0.545	16%	0.163	S	C	.	.	H	α-helix	trans	-73.9	-41.8	177.4	0	0	0	0	0	112.2	G312 E313 V314 Y484	G312-A316 WeakPolarHBondContact O-CB 3.23Å; G312-A316 PolarHBondContact O-N 2.79Å; E313-A316 PolarHBondContact O-N 2.79Å; V314-A316 VanDerWaalsContact C-N 3.33Å; V314-A316 PolarHBondContact O-N 2.82Å; A316-Y484 HydrophobicContact CB-CD1 3.93Å; A316-Y484 HydrophobicContact CB-CE1 3.91Å
317	K	98.4	Very high	95.7	Very high	28 Å²	28	28 Å²	28	12%	0.122	16%	0.158	C	C	.	.	H	α-helix	trans	-82.6	-35.1	-178.7	-66.8	179.9	-177	174.5	0	112.1	K198 V275 E276 E313	K198-K317 HydrophobicContact CD-CB 4.04Å; K198-K317 WeakPolarHBondContact CD-O 3.49Å; K198-K317 WeakPolarHBondContact CE-O 3.37Å; K198-K317 PolarHBondContact NZ-O 3Å; V275-K317 HydrophobicContact CB-CD 3.95Å; V275-K317 HydrophobicContact CG1-CD 4.12Å; V275-K317 HydrophobicContact CG2-CD 4.03Å; E276-K317 IonicContact OE1-NZ 3.17Å; E276-K317 PolarHBondContact OE1-NZ 3.36Å; E276-K317 IonicContact OE2-NZ 2.63Å; E276-K317 PolarHBondContact OE2-NZ 3.04Å; E313-K317 HydrophobicContact CG-CD 3.98Å; E313-K317 WeakPolarHBondContact O-CB 3.42Å; E313-K317 WeakPolarHBondContact O-CG 3.08Å; E313-K317 PolarHBondContact O-N 3.38Å; E313-K317 IonicContact OE1-NZ 2.64Å; E313-K317 PolarHBondContact OE1-NZ 3.34Å
318	Y	98.1	Very high	96.4	Very high	29 Å²	29	29.4 Å²	29.4	11%	0.114	17%	0.165	C	C	.	.	S	Bend	trans	-128.8	-112.5	-176.3	-59.9	-72.4	0	0	0	112.2	K198 L199 R201 A204 V275 L279 V314 M322	K198-Y318 HydrophobicContact CD-CD1 4.42Å; K198-Y318 HydrophobicContact CD-CE1 4.05Å; K198-Y318 HydrophobicContact CG-CE1 4.06Å; L199-Y318 WeakPolarHBondContact O-CE1 3.5Å; L199-Y318 PolarHBondContact O-OH 3.46Å; R201-Y318 HydrophobicContact CB-CD1 4.28Å; A204-Y318 HydrophobicContact CB-CE1 4.27Å; V275-Y318 HydrophobicContact CG1-CD2 4.49Å; V275-Y318 HydrophobicContact CG1-CE2 3.62Å; L279-Y318 HydrophobicContact CD1-CE2 4.32Å; V314-Y318 CarbonylContact O-C 3.57Å; V314-Y318 VanDerWaalsContact O-CA 3.31Å; V314-Y318 WeakPolarHBondContact O-CA 3.41Å; V314-Y318 WeakPolarHBondContact O-CB 3.44Å; V314-Y318 PolarHBondContact O-N 3.07Å; Y318-M322 HydrophobicContact CD1-CE 4.16Å; Y318-M322 HydrophobicContact CD2-CG 4.12Å; Y318-M322 HydrophobicContact CG-CE 4.18Å; Y318-M322 HydrophobicContact CG-CG 4.13Å
319	T	96.1	Very high	96.8	Very high	50 Å²	50	29.2 Å²	29.2	31%	0.307	16%	0.164	S	C	.	.			trans	-145.8	162.9	-173.1	66.3	0	0	0	0	110.2	Y205 V314 Q321 M322 F323	Y205-T319 PolarHBondContact OH-OG1 3.45Å; V314-T319 PolarHBondContact O-N 3.06Å; T319-Q321 PolarHBondContact O-N 3.16Å; T319-M322 WeakPolarHBondContact O-CB 3.2Å; T319-M322 PolarHBondContact O-N 2.82Å; T319-M322 PolarHBondContact OG1-N 3.33Å; T319-M322 VanDerWaalsContact OG1-N 3.09Å; T319-F323 PolarHBondContact O-N 2.92Å
320	A	92.9	Very high	97	Very high	41 Å²	41	29 Å²	29	34%	0.339	16%	0.162	S	C	.	.	H	α-helix	trans	-63.1	-33.2	172.9	0	0	0	0	0	112.3	K315 M322 F323 Q324	K315-A320 HydrophobicContact CG-CB 4.33Å; A320-M322 VanDerWaalsContact C-N 3.32Å; A320-M322 PolarHBondContact O-N 3.26Å; A320-F323 WeakPolarHBondContact O-CB 3.31Å; A320-F323 PolarHBondContact O-N 3.18Å; A320-Q324 WeakPolarHBondContact O-CG 3.44Å; A320-Q324 PolarHBondContact O-N 2.8Å; A320-Q324 VanDerWaalsContact O-N 3.1Å
321	Q	93.6	Very high	97	Very high	100 Å²	100	30.5 Å²	30.5	47%	0.467	17%	0.169	S	C	.	.	H	α-helix	trans	-64.5	-36.6	175.6	-66.2	78.9	4.4	0	0	111.7	T319 F323 Q324 L325	T319-Q321 PolarHBondContact O-N 3.16Å; Q321-F323 VanDerWaalsContact C-N 3.33Å; Q321-F323 PolarHBondContact O-N 3.08Å; Q321-Q324 PolarHBondContact O-N 3.4Å; Q321-L325 PolarHBondContact O-N 3.27Å; Q321-L325 VanDerWaalsContact O-N 3.13Å
322	M	96.9	Very high	97.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-43.7	173.5	-173.2	67.4	78.2	0	0	111.1	A204 Y205 L208 V314 Y318 T319 A320 Q324 L325 F326	A204-M322 HydrophobicContact CB-CE 3.82Å; A204-M322 HydrophobicContact CB-SD 4.48Å; Y205-M322 HydrophobicContact CD1-CE 3.81Å; Y205-M322 HydrophobicContact CD1-SD 3.8Å; Y205-M322 HydrophobicContact CD2-CE 3.62Å; Y205-M322 HydrophobicContact CE1-CB 4.47Å; Y205-M322 HydrophobicContact CE1-CE 3.67Å; Y205-M322 HydrophobicContact CE1-SD 3.61Å; Y205-M322 HydrophobicContact CE2-CE 3.47Å; Y205-M322 VanDerWaalsContact CE2-CE 3.47Å; Y205-M322 HydrophobicContact CG-CE 3.77Å; Y205-M322 HydrophobicContact CG-SD 4.32Å; Y205-M322 VanDerWaalsContact CZ-CE 3.49Å; L208-M322 HydrophobicContact CD1-CG 4.44Å; L208-M322 HydrophobicContact CD1-SD 3.35Å; L208-M322 WeakPolarHBondContact CD1-SD 3.39Å; V314-M322 HydrophobicContact CG1-CB 3.87Å; V314-M322 HydrophobicContact CG1-CG 3.83Å; Y318-M322 HydrophobicContact CD1-CE 4.16Å; Y318-M322 HydrophobicContact CD2-CG 4.12Å; Y318-M322 HydrophobicContact CG-CE 4.18Å; Y318-M322 HydrophobicContact CG-CG 4.13Å; T319-M322 WeakPolarHBondContact O-CB 3.2Å; T319-M322 PolarHBondContact O-N 2.82Å; T319-M322 PolarHBondContact OG1-N 3.33Å; T319-M322 VanDerWaalsContact OG1-N 3.09Å; A320-M322 VanDerWaalsContact C-N 3.32Å; A320-M322 PolarHBondContact O-N 3.26Å; M322-Q324 PolarHBondContact O-N 3.32Å; M322-L325 PolarHBondContact O-N 2.91Å; M322-F326 HydrophobicContact CG-CD2 3.96Å; M322-F326 HydrophobicContact CG-CE2 3.68Å; M322-F326 VanDerWaalsContact O-CD2 3.27Å; M322-F326 WeakPolarHBondContact O-CD2 3.31Å; M322-F326 PolarHBondContact O-N 3.41Å; M322-F326 HydrophobicContact SD-CE2 4.23Å
323	F	96.9	Very high	97.3	Very high	10 Å²	10	31.1 Å²	31.1	4%	0.044	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-41.8	176.8	173.5	-104.4	0	0	0	112.4	N305 F310 E311 V314 T319 A320 Q321 L325 F326 S327	N305-F323 HydrophobicContact CB-CE2 3.64Å; N305-F323 HydrophobicContact CB-CZ 3.85Å; F310-F323 HydrophobicContact CD1-CD2 4.35Å; F310-F323 HydrophobicContact CD1-CE2 4.13Å; F310-F323 HydrophobicContact CE1-CD2 4.45Å; E311-F323 HydrophobicContact CB-CD1 4.35Å; E311-F323 HydrophobicContact CB-CD2 3.86Å; E311-F323 HydrophobicContact CB-CE1 4.11Å; E311-F323 HydrophobicContact CB-CE2 3.61Å; E311-F323 HydrophobicContact CB-CG 4.22Å; E311-F323 HydrophobicContact CB-CZ 3.74Å; E311-F323 HydrophobicContact CG-CD1 3.59Å; E311-F323 HydrophobicContact CG-CD2 3.9Å; E311-F323 HydrophobicContact CG-CE1 3.63Å; E311-F323 HydrophobicContact CG-CE2 3.95Å; E311-F323 HydrophobicContact CG-CG 3.71Å; E311-F323 HydrophobicContact CG-CZ 3.82Å; E311-F323 WeakPolarHBondContact OE1-CE1 3.43Å; V314-F323 HydrophobicContact CB-CB 4.18Å; V314-F323 HydrophobicContact CG1-CB 3.75Å; T319-F323 PolarHBondContact O-N 2.92Å; A320-F323 WeakPolarHBondContact O-CB 3.31Å; A320-F323 PolarHBondContact O-N 3.18Å; Q321-F323 VanDerWaalsContact C-N 3.33Å; Q321-F323 PolarHBondContact O-N 3.08Å; F323-L325 VanDerWaalsContact C-N 3.25Å; F323-L325 PolarHBondContact O-N 2.89Å; F323-F326 WeakPolarHBondContact O-CB 3.23Å; F323-F326 PolarHBondContact O-N 2.88Å; F323-F326 VanDerWaalsContact O-N 3.15Å; F323-S327 PolarHBondContact O-N 3Å
324	Q	94.6	Very high	97.3	Very high	102 Å²	102	31.2 Å²	31.2	48%	0.477	16%	0.163	S	C	.	.	H	α-helix	trans	-59.4	-39.4	176.3	-66.2	173.7	-18.9	0	0	111.4	V156 A320 Q321 M322 S327 E328	V156-Q324 HydrophobicContact CG2-CB 3.61Å; A320-Q324 WeakPolarHBondContact O-CG 3.44Å; A320-Q324 PolarHBondContact O-N 2.8Å; A320-Q324 VanDerWaalsContact O-N 3.1Å; Q321-Q324 PolarHBondContact O-N 3.4Å; M322-Q324 PolarHBondContact O-N 3.32Å; Q324-S327 WeakPolarHBondContact O-CB 3.27Å; Q324-S327 PolarHBondContact O-N 3.46Å; Q324-E328 WeakPolarHBondContact O-CG 3.47Å; Q324-E328 PolarHBondContact O-N 3.3Å
325	L	96.9	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-41.1	174.7	-176.7	59.7	0	0	0	112.5	V156 V157 L160 Y205 L208 V209 K212 Q321 M322 F323 S327 E328 V329	V156-L325 HydrophobicContact CG1-CB 4.45Å; V157-L325 HydrophobicContact CG2-CD1 3.57Å; L160-L325 HydrophobicContact CD1-CD2 4.14Å; Y205-L325 HydrophobicContact CD1-CD2 3.66Å; Y205-L325 HydrophobicContact CE1-CD2 4.13Å; L208-L325 HydrophobicContact CB-CD2 3.55Å; L208-L325 HydrophobicContact CB-CG 3.92Å; L208-L325 HydrophobicContact CD1-CD2 3.92Å; L208-L325 HydrophobicContact CD1-CG 4.16Å; L208-L325 HydrophobicContact CG-CD2 4.41Å; V209-L325 HydrophobicContact CG2-CD2 4.32Å; K212-L325 HydrophobicContact CD-CD1 4.47Å; Q321-L325 PolarHBondContact O-N 3.27Å; Q321-L325 VanDerWaalsContact O-N 3.13Å; M322-L325 PolarHBondContact O-N 2.91Å; F323-L325 VanDerWaalsContact C-N 3.25Å; F323-L325 PolarHBondContact O-N 2.89Å; L325-S327 VanDerWaalsContact C-N 3.33Å; L325-S327 PolarHBondContact O-N 2.7Å; L325-E328 PolarHBondContact O-N 3.38Å; L325-V329 HydrophobicContact CD1-CG2 4.47Å; L325-V329 VanDerWaalsContact O-CG2 3.22Å; L325-V329 WeakPolarHBondContact O-CG2 3.29Å; L325-V329 PolarHBondContact O-N 3.41Å
326	F	98.6	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.8	-46.5	171.7	-84.1	-71.9	0	0	0	111.9	L208 I278 L279 F282 F310 V314 M322 F323 E328 V329 F330	L208-F326 HydrophobicContact CD1-CD1 4.28Å; L208-F326 HydrophobicContact CD1-CD2 4.04Å; L208-F326 HydrophobicContact CD1-CE1 4.12Å; L208-F326 HydrophobicContact CD1-CE2 3.86Å; L208-F326 HydrophobicContact CD1-CG 4.25Å; L208-F326 HydrophobicContact CD1-CZ 3.89Å; L208-F326 HydrophobicContact CD2-CD1 3.53Å; L208-F326 HydrophobicContact CD2-CE1 3.38Å; L208-F326 HydrophobicContact CD2-CG 4.22Å; L208-F326 HydrophobicContact CD2-CZ 3.96Å; L208-F326 HydrophobicContact CG-CE1 4.28Å; L208-F326 HydrophobicContact CG-CZ 4.4Å; I278-F326 HydrophobicContact CG1-CE1 4.2Å; I278-F326 HydrophobicContact CG2-CD1 4.41Å; I278-F326 HydrophobicContact CG2-CE1 3.56Å; I278-F326 HydrophobicContact CG2-CZ 4.01Å; L279-F326 HydrophobicContact CD2-CE1 4.42Å; L279-F326 HydrophobicContact CD2-CZ 4.02Å; L279-F326 HydrophobicContact CG-CZ 4.31Å; F282-F326 HydrophobicContact CD2-CE1 4.39Å; F282-F326 HydrophobicContact CE2-CD1 4.07Å; F282-F326 HydrophobicContact CE2-CE1 4.06Å; F310-F326 HydrophobicContact CE1-CB 3.95Å; F310-F326 HydrophobicContact CE1-CD1 4.24Å; F310-F326 HydrophobicContact CE1-CD2 4.44Å; F310-F326 AromaticContact CE1-CG 4Å; F310-F326 HydrophobicContact CE1-CG 4Å; F310-F326 HydrophobicContact CZ-CB 4.29Å; F310-F326 AromaticContact CZ-CD1 3.8Å; F310-F326 HydrophobicContact CZ-CD1 3.8Å; F310-F326 HydrophobicContact CZ-CD2 4.07Å; F310-F326 HydrophobicContact CZ-CE1 4.03Å; F310-F326 HydrophobicContact CZ-CE2 4.3Å; F310-F326 AromaticContact CZ-CG 3.82Å; F310-F326 HydrophobicContact CZ-CG 3.82Å; F310-F326 HydrophobicContact CZ-CZ 4.29Å; V314-F326 HydrophobicContact CG1-CD2 4.03Å; V314-F326 HydrophobicContact CG1-CE2 4.16Å; V314-F326 HydrophobicContact CG2-CD2 3.96Å; V314-F326 HydrophobicContact CG2-CE2 3.98Å; M322-F326 HydrophobicContact CG-CD2 3.96Å; M322-F326 HydrophobicContact CG-CE2 3.68Å; M322-F326 VanDerWaalsContact O-CD2 3.27Å; M322-F326 WeakPolarHBondContact O-CD2 3.31Å; M322-F326 PolarHBondContact O-N 3.41Å; M322-F326 HydrophobicContact SD-CE2 4.23Å; F323-F326 WeakPolarHBondContact O-CB 3.23Å; F323-F326 PolarHBondContact O-N 2.88Å; F323-F326 VanDerWaalsContact O-N 3.15Å; F326-E328 VanDerWaalsContact C-N 3.32Å; F326-E328 PolarHBondContact O-N 2.91Å; F326-V329 PolarHBondContact O-N 3.25Å; F326-V329 VanDerWaalsContact O-N 3.15Å; F326-F330 HydrophobicContact CD1-CE1 4.43Å; F326-F330 HydrophobicContact CD1-CZ 4.35Å; F326-F330 WeakPolarHBondContact O-CB 3.29Å; F326-F330 VanDerWaalsContact O-CG 3.27Å; F326-F330 WeakPolarHBondContact O-CG 3.37Å; F326-F330 PolarHBondContact O-N 2.81Å
327	S	96.9	Very high	97.4	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.063	12%	0.12	C	C	.	.	H	α-helix	trans	-57.8	-43.1	176.7	170.7	0	0	0	0	112.2	D302 F323 Q324 L325 F330 Q331	D302-S327 VanDerWaalsContact CG-OG 3.29Å; D302-S327 VanDerWaalsContact OD1-CB 3.22Å; D302-S327 WeakPolarHBondContact OD1-CB 3.5Å; D302-S327 PolarHBondContact OD1-OG 3.48Å; D302-S327 PolarHBondContact OD2-OG 2.85Å; F323-S327 PolarHBondContact O-N 3Å; Q324-S327 WeakPolarHBondContact O-CB 3.27Å; Q324-S327 PolarHBondContact O-N 3.46Å; L325-S327 VanDerWaalsContact C-N 3.33Å; L325-S327 PolarHBondContact O-N 2.7Å; S327-F330 PolarHBondContact O-N 2.74Å; S327-Q331 VanDerWaalsContact O-CG 3.3Å; S327-Q331 WeakPolarHBondContact O-CG 3.3Å; S327-Q331 PolarHBondContact O-N 2.96Å; S327-Q331 PolarHBondContact O-NE2 2.87Å; S327-Q331 PolarHBondContact OG-NE2 3.43Å
328	E	96.4	Very high	97.4	Very high	36 Å²	36	22.8 Å²	22.8	17%	0.168	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-40.7	175.4	-71.8	-179.6	-171	0	0	112.5	S155 V156 K212 Q324 L325 F326 Q331	S155-E328 PolarHBondContact OG-OE2 3.21Å; V156-E328 VanDerWaalsContact CG2-OE1 3.27Å; V156-E328 WeakPolarHBondContact CG2-OE1 3.5Å; V156-E328 PolarHBondContact N-OE1 2.93Å; K212-E328 IonicContact NZ-OE2 3.26Å; K212-E328 PolarHBondContact NZ-OE2 2.8Å; Q324-E328 WeakPolarHBondContact O-CG 3.47Å; Q324-E328 PolarHBondContact O-N 3.3Å; L325-E328 PolarHBondContact O-N 3.38Å; F326-E328 VanDerWaalsContact C-N 3.32Å; F326-E328 PolarHBondContact O-N 2.91Å; E328-Q331 PolarHBondContact O-N 2.84Å
329	V	98.6	Very high	97.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.1	-45.8	176.8	174.2	0	0	0	0	110.7	L208 V211 K212 L215 F282 L325 F326 Q331 W332	L208-V329 HydrophobicContact CB-CG2 4.34Å; L208-V329 HydrophobicContact CD2-CG2 4.21Å; V211-V329 HydrophobicContact CG1-CG1 3.72Å; V211-V329 HydrophobicContact CG1-CG2 4.47Å; K212-V329 HydrophobicContact CB-CG2 3.92Å; K212-V329 HydrophobicContact CG-CG2 4.37Å; L215-V329 HydrophobicContact CD1-CG1 3.94Å; F282-V329 HydrophobicContact CE1-CG1 4.15Å; F282-V329 HydrophobicContact CE2-CG1 3.74Å; F282-V329 HydrophobicContact CZ-CG1 3.44Å; F282-V329 VanDerWaalsContact CZ-CG1 3.44Å; L325-V329 HydrophobicContact CD1-CG2 4.47Å; L325-V329 VanDerWaalsContact O-CG2 3.22Å; L325-V329 WeakPolarHBondContact O-CG2 3.29Å; L325-V329 PolarHBondContact O-N 3.41Å; F326-V329 PolarHBondContact O-N 3.25Å; F326-V329 VanDerWaalsContact O-N 3.15Å; V329-Q331 PolarHBondContact O-N 3.48Å; V329-W332 PolarHBondContact O-N 3.34Å
330	F	98.8	Very high	97.6	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-32.4	179	-72.8	-13.2	0	0	0	113	V268 I278 F282 R296 E300 F310 F326 S327 W332 L333	V268-F330 HydrophobicContact CG1-CZ 4.22Å; V268-F330 HydrophobicContact CG2-CE2 4.27Å; V268-F330 HydrophobicContact CG2-CZ 4.28Å; I278-F330 HydrophobicContact CD1-CE1 3.88Å; I278-F330 HydrophobicContact CD1-CZ 4.41Å; I278-F330 HydrophobicContact CG1-CE1 3.84Å; I278-F330 HydrophobicContact CG1-CZ 4.12Å; F282-F330 HydrophobicContact CE2-CE1 4.25Å; F282-F330 HydrophobicContact CZ-CD1 4.02Å; F282-F330 AromaticContact CZ-CE1 3.78Å; F282-F330 HydrophobicContact CZ-CE1 3.78Å; R296-F330 WeakPolarHBondContact CD-O 3.4Å; R296-F330 PolarHBondContact NE-O 3.2Å; E300-F330 HydrophobicContact CB-CB 4.02Å; E300-F330 HydrophobicContact CB-CD1 4.22Å; E300-F330 HydrophobicContact CB-CD2 3.94Å; E300-F330 HydrophobicContact CB-CE2 4.43Å; E300-F330 HydrophobicContact CB-CG 3.82Å; E300-F330 HydrophobicContact CG-CD1 3.92Å; E300-F330 HydrophobicContact CG-CD2 4.16Å; E300-F330 HydrophobicContact CG-CE1 4Å; E300-F330 HydrophobicContact CG-CE2 4.22Å; E300-F330 HydrophobicContact CG-CG 4.01Å; E300-F330 HydrophobicContact CG-CZ 4.15Å; F310-F330 AromaticContact CD1-CE2 3.86Å; F310-F330 HydrophobicContact CD1-CE2 3.86Å; F310-F330 HydrophobicContact CD1-CZ 4.25Å; F310-F330 AromaticContact CE1-CE2 3.43Å; F310-F330 HydrophobicContact CE1-CE2 3.43Å; F310-F330 VanDerWaalsContact CE1-CE2 3.43Å; F310-F330 AromaticContact CE1-CZ 3.53Å; F310-F330 HydrophobicContact CE1-CZ 3.53Å; F310-F330 HydrophobicContact CZ-CE2 4.31Å; F310-F330 AromaticContact CZ-CZ 3.94Å; F310-F330 HydrophobicContact CZ-CZ 3.94Å; F326-F330 HydrophobicContact CD1-CE1 4.43Å; F326-F330 HydrophobicContact CD1-CZ 4.35Å; F326-F330 WeakPolarHBondContact O-CB 3.29Å; F326-F330 VanDerWaalsContact O-CG 3.27Å; F326-F330 WeakPolarHBondContact O-CG 3.37Å; F326-F330 PolarHBondContact O-N 2.81Å; S327-F330 PolarHBondContact O-N 2.74Å; F330-W332 PolarHBondContact O-N 3.04Å; F330-L333 HydrophobicContact CB-CD1 4.43Å; F330-L333 HydrophobicContact CD1-CD1 3.93Å; F330-L333 HydrophobicContact CG-CD1 4.5Å; F330-L333 WeakPolarHBondContact O-CB 3.38Å; F330-L333 PolarHBondContact O-N 2.91Å
331	Q	98.5	Very high	97.8	Very high	31 Å²	31	23.4 Å²	23.4	15%	0.145	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.5	175.3	-70.4	170.6	53.9	0	0	113.1	S327 E328 V329 R366 N367	S327-Q331 VanDerWaalsContact O-CG 3.3Å; S327-Q331 WeakPolarHBondContact O-CG 3.3Å; S327-Q331 PolarHBondContact O-N 2.96Å; S327-Q331 PolarHBondContact O-NE2 2.87Å; S327-Q331 PolarHBondContact OG-NE2 3.43Å; E328-Q331 PolarHBondContact O-N 2.84Å; V329-Q331 PolarHBondContact O-N 3.48Å; Q331-R366 CarbonylContact O-C 3.42Å; Q331-N367 WeakPolarHBondContact O-CA 3.23Å; Q331-N367 PolarHBondContact OE1-O 2.72Å
332	W	98.8	Very high	98.1	Very high	63 Å²	63	22.4 Å²	22.4	24%	0.239	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.9	178	-69.9	109	0	0	0	114.6	L215 V329 F330 R366 N367	L215-W332 HydrophobicContact CB-CB 3.84Å; V329-W332 PolarHBondContact O-N 3.34Å; F330-W332 PolarHBondContact O-N 3.04Å; W332-R366 PolarHBondContact O-NE 3.11Å; W332-R366 PolarHBondContact O-NH2 2.88Å; W332-N367 HydrophobicContact CD2-CB 4.06Å; W332-N367 HydrophobicContact CE3-CB 3.93Å; W332-N367 HydrophobicContact CH2-CB 3.64Å; W332-N367 WeakPolarHBondContact CH2-ND2 3.44Å; W332-N367 HydrophobicContact CZ2-CB 3.71Å; W332-N367 HydrophobicContact CZ3-CB 3.75Å
333	L	98.9	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-59.6	129.2	174.5	-74.5	167.6	0	0	0	110.6	L215 F267 L294 R296 E300 F330 R366	L215-L333 HydrophobicContact CD1-CD2 3.8Å; L215-L333 HydrophobicContact CD1-CG 4.25Å; L215-L333 HydrophobicContact CD2-CD2 4.18Å; F267-L333 HydrophobicContact CE2-CD1 3.97Å; F267-L333 HydrophobicContact CE2-CD2 4.45Å; L294-L333 HydrophobicContact CB-CD2 3.7Å; R296-L333 HydrophobicContact CB-CB 3.7Å; R296-L333 HydrophobicContact CB-CD1 4.43Å; R296-L333 HydrophobicContact CG-CB 4.04Å; R296-L333 HydrophobicContact CG-CD1 4.25Å; E300-L333 HydrophobicContact CB-CD1 4Å; E300-L333 HydrophobicContact CG-CD1 3.75Å; F330-L333 HydrophobicContact CB-CD1 4.43Å; F330-L333 HydrophobicContact CD1-CD1 3.93Å; F330-L333 HydrophobicContact CG-CD1 4.5Å; F330-L333 WeakPolarHBondContact O-CB 3.38Å; F330-L333 PolarHBondContact O-N 2.91Å; L333-R366 VanDerWaalsContact O-CD 3.23Å; L333-R366 WeakPolarHBondContact O-CD 3.33Å; L333-R366 PolarHBondContact O-NE 2.91Å
334	P	98.9	Very high	98.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.013	10%	0.104	C	C	.	.			trans	-55.9	152.4	172.3	-23.5	33	0	0	0	112.3	L218 V222 L295 R296	L218-P334 HydrophobicContact CB-CG 4.06Å; L218-P334 HydrophobicContact CD1-CG 3.89Å; V222-P334 HydrophobicContact CG2-CB 3.68Å; V222-P334 HydrophobicContact CG2-CG 3.58Å; L295-P334 WeakPolarHBondContact CA-O 3.34Å; L295-P334 HydrophobicContact CD2-CB 3.89Å; R296-P334 PolarHBondContact N-O 2.8Å
335	L	98.9	Very high	98.5	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.081	C	C	.	.	S	Bend	trans	-95.4	-24.6	-173.7	-56.9	178.1	0	0	0	112.8	S220 R296 I364 R366 M376 L379 L380	S220-L335 PolarHBondContact O-N 3.09Å; R296-L335 HydrophobicContact CB-CD2 4.09Å; L335-I364 HydrophobicContact CD1-CB 4.09Å; L335-I364 HydrophobicContact CD1-CD1 4.04Å; L335-I364 HydrophobicContact CD1-CG2 3.51Å; L335-R366 HydrophobicContact CD1-CB 3.86Å; L335-R366 HydrophobicContact CD2-CB 4.27Å; L335-R366 HydrophobicContact CG-CB 4.01Å; L335-M376 HydrophobicContact CD1-CB 4.3Å; L335-M376 HydrophobicContact CD1-CG 3.85Å; L335-M376 HydrophobicContact CD2-CE 4.28Å; L335-M376 HydrophobicContact CD2-CG 4.4Å; L335-L379 HydrophobicContact CB-CD1 3.8Å; L335-L379 HydrophobicContact CD1-CD1 4.29Å; L335-L380 HydrophobicContact CD2-CD2 4.46Å
336	A	98.9	Very high	98.6	Very high	1 Å²	1	17 Å²	17	1%	0.008	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.6	178.2	0	0	0	0	0	111.2	S220 L221 V222 L344 V345 M346 L361 L379	S220-A336 PolarHBondContact O-N 2.88Å; L221-A336 WeakPolarHBondContact CA-O 3.49Å; L221-A336 HydrophobicContact CD1-CB 3.75Å; V222-A336 PolarHBondContact N-O 3.39Å; A336-L344 HydrophobicContact CB-CD1 4.1Å; A336-V345 CarbonylContact C-O 3.53Å; A336-V345 WeakPolarHBondContact CA-O 3.36Å; A336-V345 WeakPolarHBondContact CB-O 3.15Å; A336-M346 HydrophobicContact CB-CB 4.27Å; A336-L361 HydrophobicContact CB-CD1 4.4Å; A336-L379 HydrophobicContact CB-CD2 4.45Å
337	Q	98.9	Very high	98.6	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.8	172.9	-174.1	161.8	-13.4	0	0	111.3	V222 I224 L262 H293 L295 I339 V345	V222-Q337 HydrophobicContact CB-CB 4.45Å; V222-Q337 HydrophobicContact CB-CG 4.2Å; V222-Q337 HydrophobicContact CG1-CG 4.15Å; V222-Q337 CarbonylContact O-C 3.54Å; V222-Q337 WeakPolarHBondContact O-CA 3.39Å; I224-Q337 HydrophobicContact CG1-CG 4.45Å; L262-Q337 VanDerWaalsContact CD1-OE1 3.32Å; L262-Q337 HydrophobicContact CD2-CB 4.37Å; H293-Q337 VanDerWaalsContact CB-OE1 3.24Å; L295-Q337 HydrophobicContact CD1-CB 3.96Å; L295-Q337 HydrophobicContact CD2-CB 4.12Å; L295-Q337 HydrophobicContact CG-CB 4.49Å; Q337-I339 HydrophobicContact CG-CG1 4.49Å; Q337-V345 PolarHBondContact N-O 2.55Å; Q337-V345 PolarHBondContact O-N 2.87Å
338	C	98.9	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127	173.9	-165.7	0	0	0	0	110	L221 V222 E223 I224 V343 L344	L221-C338 HydrophobicContact CD1-CB 4.19Å; V222-C338 PolarHBondContact O-N 2.7Å; E223-C338 WeakPolarHBondContact CA-O 2.98Å; E223-C338 HydrophobicContact CG-CB 4.17Å; I224-C338 PolarHBondContact N-O 3.39Å; C338-V343 CarbonylContact C-O 3.5Å; C338-V343 WeakPolarHBondContact CA-O 3.26Å; C338-L344 HydrophobicContact CB-CD1 4.36Å
339	I	98.8	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.1	-177	-57.1	166.9	0	0	0	108.4	I224 I226 L232 I234 Q337 N341 K342 V343 V345 L459 L464	I224-I339 HydrophobicContact CD1-CG1 4.16Å; I224-I339 HydrophobicContact CG1-CB 4.45Å; I224-I339 HydrophobicContact CG1-CG1 4.01Å; I224-I339 HydrophobicContact CG1-CG2 4.46Å; I226-I339 HydrophobicContact CD1-CG2 3.43Å; I226-I339 VanDerWaalsContact CD1-CG2 3.43Å; I226-I339 HydrophobicContact CG1-CG2 3.89Å; L232-I339 HydrophobicContact CD2-CD1 3.52Å; L232-I339 HydrophobicContact CD2-CG1 4.27Å; I234-I339 HydrophobicContact CD1-CD1 4.09Å; Q337-I339 HydrophobicContact CG-CG1 4.49Å; I339-N341 PolarHBondContact O-N 3.15Å; I339-K342 PolarHBondContact O-N 2.97Å; I339-V343 HydrophobicContact CB-CB 4.34Å; I339-V343 PolarHBondContact N-O 2.7Å; I339-V343 PolarHBondContact O-N 3.32Å; I339-V343 VanDerWaalsContact O-N 3.09Å; I339-V345 HydrophobicContact CD1-CG2 3.87Å; I339-L459 HydrophobicContact CD1-CD1 3.83Å; I339-L464 HydrophobicContact CG2-CD2 4.18Å
340	N	98.4	Very high	98.8	Very high	36 Å²	36	14.9 Å²	14.9	19%	0.193	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	24.2	-180	-69.2	16.9	0	0	0	113.8	I224 T225 I226 K342 L464	I224-N340 PolarHBondContact O-N 2.96Å; T225-N340 WeakPolarHBondContact CA-OD1 3.32Å; I226-N340 PolarHBondContact N-OD1 2.6Å; I226-N340 PolarHBondContact O-ND2 3.5Å; I226-N340 VanDerWaalsContact O-ND2 3.11Å; N340-K342 WeakPolarHBondContact O-CG 3.02Å; N340-K342 PolarHBondContact O-N 3.21Å; N340-L464 HydrophobicContact CB-CD1 3.66Å; N340-L464 HydrophobicContact CB-CD2 4.48Å
341	N	98.1	Very high	98.8	Very high	98 Å²	98	15 Å²	15	52%	0.524	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	23.6	-171.6	-57.6	-43.8	0	0	0	114.5	I339	I339-N341 PolarHBondContact O-N 3.15Å
342	K	98.6	Very high	98.7	Very high	78 Å²	78	15.6 Å²	15.6	34%	0.339	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-39.7	-172.5	-71.5	-49.8	-160.3	159.8	0	114.3	I339 N340 D416 L464	I339-K342 PolarHBondContact O-N 2.97Å; N340-K342 WeakPolarHBondContact O-CG 3.02Å; N340-K342 PolarHBondContact O-N 3.21Å; K342-D416 WeakPolarHBondContact CD-OD2 3.45Å; K342-D416 IonicContact NZ-OD1 2.82Å; K342-D416 PolarHBondContact NZ-OD1 3.28Å; K342-D416 IonicContact NZ-OD2 3.16Å; K342-D416 PolarHBondContact O-N 3.33Å; K342-L464 HydrophobicContact CB-CD1 3.72Å; K342-L464 HydrophobicContact CG-CD1 4.1Å
343	V	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122	-178.3	-174.7	0	0	0	0	108.9	C338 I339 V345 Y417 V419 L459 L464	C338-V343 CarbonylContact C-O 3.5Å; C338-V343 WeakPolarHBondContact CA-O 3.26Å; I339-V343 HydrophobicContact CB-CB 4.34Å; I339-V343 PolarHBondContact N-O 2.7Å; I339-V343 PolarHBondContact O-N 3.32Å; I339-V343 VanDerWaalsContact O-N 3.09Å; V343-V345 HydrophobicContact CG1-CG2 4.39Å; V343-Y417 HydrophobicContact CB-CE2 4.43Å; V343-Y417 HydrophobicContact CG1-CD2 4.03Å; V343-Y417 HydrophobicContact CG1-CE2 3.52Å; V343-Y417 HydrophobicContact CG2-CD1 4.27Å; V343-Y417 HydrophobicContact CG2-CE1 3.59Å; V343-Y417 HydrophobicContact CG2-CE2 4.04Å; V343-Y417 VanDerWaalsContact CG2-CZ 3.46Å; V343-V419 HydrophobicContact CG1-CG2 3.88Å; V343-L459 HydrophobicContact CG1-CD1 4.3Å; V343-L459 HydrophobicContact CG2-CD1 4.47Å; V343-L464 HydrophobicContact CG2-CB 4.29Å
344	L	98.9	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.4	174.3	-178	67.4	0	0	0	109.8	L221 A336 C338 M346 L358 L361 F409 L415 Y417 I418 V419	L221-L344 HydrophobicContact CD1-CD1 3.77Å; A336-L344 HydrophobicContact CB-CD1 4.1Å; C338-L344 HydrophobicContact CB-CD1 4.36Å; L344-M346 HydrophobicContact CD2-CE 3.44Å; L344-M346 VanDerWaalsContact CD2-CE 3.44Å; L344-M346 HydrophobicContact CG-CE 3.77Å; L344-L358 HydrophobicContact CD1-CD2 3.99Å; L344-L358 HydrophobicContact CD2-CD2 4.12Å; L344-L361 HydrophobicContact CD2-CD1 4.34Å; L344-F409 HydrophobicContact CD2-CE1 3.53Å; L344-F409 HydrophobicContact CD2-CZ 3.73Å; L344-L415 HydrophobicContact CB-CD1 3.78Å; L344-L415 HydrophobicContact CB-CD2 4.42Å; L344-L415 HydrophobicContact CD2-CD1 4.11Å; L344-Y417 PolarHBondContact N-O 3.07Å; L344-I418 HydrophobicContact CB-CG2 4.23Å; L344-I418 CarbonylContact O-C 3.46Å; L344-I418 WeakPolarHBondContact O-CA 3.28Å; L344-V419 PolarHBondContact O-N 2.9Å
345	V	98.9	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.9	179.5	-166.3	0	0	0	0	109.7	I234 L262 N264 L295 A336 Q337 I339 V343 V419	I234-V345 HydrophobicContact CD1-CG2 4.12Å; I234-V345 HydrophobicContact CG2-CG1 4.34Å; L262-V345 HydrophobicContact CD2-CB 3.97Å; L262-V345 HydrophobicContact CD2-CG1 3.85Å; L262-V345 HydrophobicContact CD2-CG2 3.94Å; N264-V345 HydrophobicContact CB-CG1 4.34Å; L295-V345 HydrophobicContact CD1-CB 4.25Å; L295-V345 HydrophobicContact CD1-CG1 4.15Å; A336-V345 CarbonylContact C-O 3.53Å; A336-V345 WeakPolarHBondContact CA-O 3.36Å; A336-V345 WeakPolarHBondContact CB-O 3.15Å; Q337-V345 PolarHBondContact N-O 2.55Å; Q337-V345 PolarHBondContact O-N 2.87Å; I339-V345 HydrophobicContact CD1-CG2 3.87Å; V343-V345 HydrophobicContact CG1-CG2 4.39Å; V345-V419 VanDerWaalsContact CA-O 3.28Å; V345-V419 WeakPolarHBondContact CA-O 3.48Å; V345-V419 HydrophobicContact CG1-CB 4.22Å; V345-V419 HydrophobicContact CG1-CG1 4.42Å; V345-V419 HydrophobicContact CG2-CB 4.2Å
346	M	98.9	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	160.4	171.4	72.9	-73.6	-80.4	0	0	109.8	N264 A336 L344 L350 L379 I418 V419 R420	N264-M346 PolarHBondContact ND2-O 3.25Å; N264-M346 PolarHBondContact OD1-O 2.92Å; A336-M346 HydrophobicContact CB-CB 4.27Å; L344-M346 HydrophobicContact CD2-CE 3.44Å; L344-M346 VanDerWaalsContact CD2-CE 3.44Å; L344-M346 HydrophobicContact CG-CE 3.77Å; M346-L350 HydrophobicContact CE-CD2 3.92Å; M346-L379 HydrophobicContact CB-CD2 3.78Å; M346-L379 HydrophobicContact CE-CD2 4.06Å; M346-L379 HydrophobicContact CG-CD2 3.9Å; M346-I418 HydrophobicContact CE-CG2 4.48Å; M346-I418 HydrophobicContact SD-CB 4.44Å; M346-I418 HydrophobicContact SD-CD1 4.36Å; M346-V419 PolarHBondContact N-O 2.91Å; M346-R420 WeakPolarHBondContact O-CA 3.39Å; M346-R420 WeakPolarHBondContact O-CB 3.37Å; M346-R420 HydrophobicContact SD-CB 4.41Å
347	H	98.9	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-67.5	-58.4	-177.1	178.8	72.7	0	0	0	112.8	D237 N264 D266 R296 G297 N298 L380 S421 H422	D237-H347 IonicContact OD1-CE1 3.56Å; D237-H347 PolarHBondContact OD1-CE1 3.42Å; D237-H347 VanDerWaalsContact OD1-CE1 3.26Å; D237-H347 IonicContact OD1-ND1 3.52Å; D237-H347 IonicContact OD2-CE1 3.54Å; N264-H347 PolarHBondContact O-ND1 2.63Å; N264-H347 PolarHBondContact OD1-N 2.78Å; D266-H347 VanDerWaalsContact CG-NE2 3.31Å; D266-H347 IonicContact OD1-CE1 2.8Å; D266-H347 IonicContact OD1-NE2 3.55Å; D266-H347 PolarHBondContact OD1-NE2 2.44Å; D266-H347 IonicContact OD2-CE1 3.6Å; D266-H347 PolarHBondContact OD2-CE1 3.33Å; D266-H347 IonicContact OD2-NE2 3.24Å; D266-H347 PolarHBondContact OD2-NE2 3.24Å; R296-H347 WeakPolarHBondContact O-CB 3.4Å; G297-H347 VanDerWaalsContact CA-CG 3.43Å; N298-H347 PolarHBondContact OD1-CD2 2.83Å; N298-H347 PolarHBondContact OD1-NE2 2.82Å; H347-L380 PolarHBondContact CD2-O 2.86Å; H347-S421 PolarHBondContact O-N 2.97Å; H347-H422 AromaticContact CD2-CG 3.96Å; H347-H422 AromaticContact CD2-ND1 3.67Å; H347-H422 VanDerWaalsContact NE2-CB 3.34Å; H347-H422 WeakPolarHBondContact NE2-CB 3.13Å; H347-H422 AromaticContact NE2-CG 3.5Å; H347-H422 AromaticContact NE2-ND1 3.02Å; H347-H422 PolarHBondContact NE2-ND1 2.88Å; H347-H422 WeakPolarHBondContact O-CB 3.46Å
348	G	98.8	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-78.3	-91	-179.1	0	0	0	0	0	112.3	L379 S382 R420	G348-L379 VanDerWaalsContact CA-O 3.31Å; G348-L379 WeakPolarHBondContact CA-O 3.33Å; G348-L379 PolarHBondContact N-O 3.35Å; G348-S382 CarbonylContact C-O 2.96Å; G348-R420 WeakPolarHBondContact O-CB 3.38Å; G348-R420 VanDerWaalsContact O-CZ 3.3Å; G348-R420 PolarHBondContact O-NE 3.5Å; G348-R420 PolarHBondContact O-NH2 3.28Å; G348-R420 VanDerWaalsContact O-NH2 3.09Å
349	G	98.6	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.			trans	177.7	-142.6	179.3	0	0	0	0	0	114.4	D378 S382	G349-D378 PolarHBondContact N-O 2.98Å; G349-S382 WeakPolarHBondContact CA-OG 3.32Å; G349-S382 PolarHBondContact N-OG 3.36Å
350	L	98.8	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.			trans	-89.5	178.7	-175	-59.7	-179.2	0	0	0	113.1	M346 S382 F401 T406 F409 I418	M346-L350 HydrophobicContact CE-CD2 3.92Å; L350-S382 PolarHBondContact N-OG 3.29Å; L350-S382 VanDerWaalsContact O-CB 3.24Å; L350-S382 WeakPolarHBondContact O-CB 3.48Å; L350-S382 PolarHBondContact O-OG 2.96Å; L350-F401 HydrophobicContact CB-CD1 4.16Å; L350-F401 HydrophobicContact CB-CD2 3.9Å; L350-F401 HydrophobicContact CB-CE1 4.3Å; L350-F401 HydrophobicContact CB-CE2 4.03Å; L350-F401 HydrophobicContact CB-CG 3.97Å; L350-F401 HydrophobicContact CB-CZ 4.23Å; L350-F401 HydrophobicContact CD1-CD2 4.03Å; L350-F401 HydrophobicContact CD1-CE2 3.96Å; L350-F401 HydrophobicContact CG-CD2 4.19Å; L350-F401 HydrophobicContact CG-CE2 3.93Å; L350-F401 HydrophobicContact CG-CZ 4.24Å; L350-F401 VanDerWaalsContact N-CE1 3.29Å; L350-T406 VanDerWaalsContact CD1-CA 3.48Å; L350-T406 HydrophobicContact CD1-CG2 4.13Å; L350-F409 HydrophobicContact CD1-CB 4.14Å; L350-F409 HydrophobicContact CD1-CD1 4.39Å; L350-F409 HydrophobicContact CD1-CG 4.4Å; L350-F409 HydrophobicContact CD2-CD1 3.62Å; L350-F409 HydrophobicContact CD2-CD2 4.44Å; L350-F409 HydrophobicContact CD2-CE1 3.86Å; L350-F409 HydrophobicContact CD2-CG 3.94Å; L350-F409 HydrophobicContact CD2-CZ 4.37Å; L350-I418 HydrophobicContact CD1-CD1 4.08Å; L350-I418 HydrophobicContact CD2-CD1 4.13Å; L350-I418 HydrophobicContact CD2-CG2 4.34Å; L350-I418 HydrophobicContact CG-CD1 3.79Å
351	F	98.7	Very high	98.2	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.013	18%	0.184	C	C	.	.			trans	-94.5	150.4	-158.9	-51.2	-79.9	0	0	0	113.8	E353 V356 L361 P375 D378 L379 R390 F409	F351-E353 WeakPolarHBondContact CB-O 3.24Å; F351-E353 PolarHBondContact O-N 3.15Å; F351-V356 HydrophobicContact CB-CB 4.41Å; F351-V356 HydrophobicContact CB-CG2 3.81Å; F351-V356 HydrophobicContact CD1-CB 4.43Å; F351-V356 HydrophobicContact CD1-CG1 4.05Å; F351-V356 HydrophobicContact CD1-CG2 4.15Å; F351-V356 HydrophobicContact CD2-CB 3.59Å; F351-V356 HydrophobicContact CD2-CG1 3.66Å; F351-V356 HydrophobicContact CD2-CG2 3.94Å; F351-V356 HydrophobicContact CE1-CG1 3.93Å; F351-V356 HydrophobicContact CE2-CB 4Å; F351-V356 HydrophobicContact CE2-CG1 3.57Å; F351-V356 HydrophobicContact CG-CB 3.86Å; F351-V356 HydrophobicContact CG-CG1 3.92Å; F351-V356 HydrophobicContact CG-CG2 3.66Å; F351-V356 HydrophobicContact CZ-CG1 3.72Å; F351-L361 HydrophobicContact CE1-CD2 3.83Å; F351-L361 HydrophobicContact CE2-CD2 4.32Å; F351-L361 HydrophobicContact CZ-CD1 4.21Å; F351-L361 HydrophobicContact CZ-CD2 3.41Å; F351-L361 VanDerWaalsContact CZ-CD2 3.41Å; F351-L361 HydrophobicContact CZ-CG 4.4Å; F351-P375 HydrophobicContact CD1-CB 3.96Å; F351-P375 HydrophobicContact CE1-CB 3.89Å; F351-D378 HydrophobicContact CD1-CB 4.02Å; F351-L379 HydrophobicContact CE1-CD1 4.47Å; F351-L379 HydrophobicContact CE1-CD2 4.02Å; F351-L379 HydrophobicContact CE1-CG 3.81Å; F351-L379 HydrophobicContact CZ-CD2 3.75Å; F351-L379 HydrophobicContact CZ-CG 4.07Å; F351-R390 PolarHBondContact O-NE 2.99Å; F351-R390 PolarHBondContact O-NH2 2.8Å; F351-R390 VanDerWaalsContact O-NH2 3.15Å; F351-F409 HydrophobicContact CD2-CD2 4.11Å; F351-F409 AromaticContact CD2-CE2 3.97Å; F351-F409 HydrophobicContact CD2-CE2 3.97Å; F351-F409 HydrophobicContact CE2-CD2 4.05Å; F351-F409 AromaticContact CE2-CE2 3.47Å; F351-F409 HydrophobicContact CE2-CE2 3.47Å; F351-F409 VanDerWaalsContact CE2-CE2 3.47Å; F351-F409 AromaticContact CE2-CZ 3.94Å; F351-F409 HydrophobicContact CE2-CZ 3.94Å
352	S	97.3	Very high	98.3	Very high	45 Å²	45	33 Å²	33	32%	0.315	17%	0.174	S	C	.	.	S	Bend	trans	-68.7	-16.8	171.9	53.2	0	0	0	0	113.2	D378 R390 C399	S352-D378 WeakPolarHBondContact CB-OD2 3.4Å; S352-D378 PolarHBondContact N-OD2 3.2Å; S352-D378 PolarHBondContact OG-OD2 2.94Å; S352-R390 VanDerWaalsContact O-CD 3.23Å; S352-R390 WeakPolarHBondContact O-CD 3.45Å; S352-R390 PolarHBondContact O-NE 3.05Å; S352-C399 VanDerWaalsContact CA-SG 3.53Å
353	E	95.6	Very high	98.2	Very high	125 Å²	125	36 Å²	36	58%	0.584	19%	0.187	S	C	*	.	S	Bend	trans	-117.3	149.3	178.3	-61	179	167.7	0	0	111	F351 R390	F351-E353 WeakPolarHBondContact CB-O 3.24Å; F351-E353 PolarHBondContact O-N 3.15Å; E353-R390 PolarHBondContact O-NH2 3.18Å
354	D	96.3	Very high	98.2	Very high	100 Å²	100	37.3 Å²	37.3	54%	0.535	19%	0.194	S	C	.	.	S	Bend	trans	-82	163.2	170.4	-67.9	-46.5	0	0	0	111.2	V356 R390	D354-V356 VanDerWaalsContact C-N 3.33Å; D354-V356 PolarHBondContact O-N 3.32Å; D354-R390 VanDerWaalsContact CG-NH1 3.28Å; D354-R390 IonicContact OD1-CZ 2.85Å; D354-R390 IonicContact OD1-NH1 3.92Å; D354-R390 PolarHBondContact OD1-NH1 3.2Å; D354-R390 IonicContact OD1-NH2 3.87Å; D354-R390 PolarHBondContact OD1-NH2 3.38Å; D354-R390 IonicContact OD2-NH1 3.23Å; D354-R390 PolarHBondContact OD2-NH1 3.31Å; D354-R390 VanDerWaalsContact OD2-NH1 3.16Å
355	G	96.9	Very high	98.1	Very high	38 Å²	38	42.3 Å²	42.3	39%	0.392	22%	0.221	S	C	.	.			trans	85.7	-4.7	174.9	0	0	0	0	0	115.4	T357 Q412	G355-T357 PolarHBondContact O-N 3.09Å; G355-Q412 PolarHBondContact O-NE2 2.9Å; G355-Q412 VanDerWaalsContact O-NE2 3.13Å
356	V	98.3	Very high	98.1	Very high	10 Å²	10	43 Å²	43	6%	0.061	22%	0.223	C	C	.	.			trans	-60.9	130.6	175.1	-176.7	0	0	0	0	111.1	F351 D354 D360 L361 F409 Q412 N413	F351-V356 HydrophobicContact CB-CB 4.41Å; F351-V356 HydrophobicContact CB-CG2 3.81Å; F351-V356 HydrophobicContact CD1-CB 4.43Å; F351-V356 HydrophobicContact CD1-CG1 4.05Å; F351-V356 HydrophobicContact CD1-CG2 4.15Å; F351-V356 HydrophobicContact CD2-CB 3.59Å; F351-V356 HydrophobicContact CD2-CG1 3.66Å; F351-V356 HydrophobicContact CD2-CG2 3.94Å; F351-V356 HydrophobicContact CE1-CG1 3.93Å; F351-V356 HydrophobicContact CE2-CB 4Å; F351-V356 HydrophobicContact CE2-CG1 3.57Å; F351-V356 HydrophobicContact CG-CB 3.86Å; F351-V356 HydrophobicContact CG-CG1 3.92Å; F351-V356 HydrophobicContact CG-CG2 3.66Å; F351-V356 HydrophobicContact CZ-CG1 3.72Å; D354-V356 VanDerWaalsContact C-N 3.33Å; D354-V356 PolarHBondContact O-N 3.32Å; V356-D360 HydrophobicContact CG1-CB 4.26Å; V356-L361 HydrophobicContact CG1-CD2 3.84Å; V356-F409 WeakPolarHBondContact O-CD2 3.44Å; V356-F409 VanDerWaalsContact O-CE2 3.23Å; V356-F409 WeakPolarHBondContact O-CE2 2.98Å; V356-Q412 PolarHBondContact O-NE2 3.07Å; V356-Q412 VanDerWaalsContact O-NE2 3.09Å; V356-N413 PolarHBondContact O-ND2 3.46Å
357	T	98.6	Very high	98	Very high	42 Å²	42	45.7 Å²	45.7	26%	0.258	24%	0.238	S	C	.	.			trans	-113.6	164.1	-179.4	66.7	0	0	0	0	112.3	G355 E359 D360 L361 N413	G355-T357 PolarHBondContact O-N 3.09Å; T357-E359 PolarHBondContact O-N 3.34Å; T357-E359 PolarHBondContact OG1-N 2.88Å; T357-D360 WeakPolarHBondContact CB-OD2 3.48Å; T357-D360 PolarHBondContact N-OD2 3.34Å; T357-D360 WeakPolarHBondContact O-CB 3.42Å; T357-D360 PolarHBondContact O-N 2.93Å; T357-D360 VanDerWaalsContact O-N 3.1Å; T357-D360 VanDerWaalsContact OG1-CG 3.26Å; T357-D360 PolarHBondContact OG1-N 3.36Å; T357-D360 PolarHBondContact OG1-OD2 3.13Å; T357-L361 PolarHBondContact O-N 3.1Å; T357-N413 VanDerWaalsContact CA-OD1 3.24Å; T357-N413 WeakPolarHBondContact CA-OD1 3.49Å
358	L	98.7	Very high	97.8	Very high	17 Å²	17	51.3 Å²	51.3	9%	0.089	26%	0.259	C	S	.	.	H	α-helix	trans	-56.6	-30.9	169	-66.1	-179.4	0	0	0	112.4	L221 L344 L361 R362 N413 L415	L221-L358 HydrophobicContact CD2-CB 3.95Å; L221-L358 HydrophobicContact CD2-CD2 4.02Å; L221-L358 HydrophobicContact CD2-CG 4.47Å; L344-L358 HydrophobicContact CD1-CD2 3.99Å; L344-L358 HydrophobicContact CD2-CD2 4.12Å; L358-L361 HydrophobicContact CD2-CD1 4.32Å; L358-L361 PolarHBondContact O-N 3.28Å; L358-R362 PolarHBondContact O-N 3.21Å; L358-R362 VanDerWaalsContact O-N 3.12Å; L358-N413 HydrophobicContact CD1-CB 4.4Å; L358-N413 HydrophobicContact CG-CB 4.13Å; L358-N413 PolarHBondContact N-OD1 3.05Å; L358-L415 HydrophobicContact CD1-CD2 4.44Å; L358-L415 HydrophobicContact CD2-CD1 4.31Å
359	E	98.4	Very high	97.6	Very high	78 Å²	78	53.7 Å²	53.7	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-68.7	-35.6	177.2	-176.3	58.2	-163.4	0	0	112.4	T357 L361 R362 K363	T357-E359 PolarHBondContact O-N 3.34Å; T357-E359 PolarHBondContact OG1-N 2.88Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 3.09Å; E359-R362 PolarHBondContact O-N 3.06Å; E359-R362 IonicContact OE2-CZ 3.41Å; E359-R362 IonicContact OE2-NH1 3.56Å; E359-R362 PolarHBondContact OE2-NH1 3.32Å; E359-K363 WeakPolarHBondContact O-CG 3.34Å; E359-K363 PolarHBondContact O-N 3.18Å; E359-K363 WeakPolarHBondContact OE1-CE 3.47Å; E359-K363 IonicContact OE1-NZ 2.74Å; E359-K363 PolarHBondContact OE1-NZ 3.35Å
360	D	98.4	Very high	97.4	Very high	70 Å²	70	55 Å²	55	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-38.1	173	-57.6	-49.9	0	0	0	110.4	V356 T357 R362 K363 I364	V356-D360 HydrophobicContact CG1-CB 4.26Å; T357-D360 WeakPolarHBondContact CB-OD2 3.48Å; T357-D360 PolarHBondContact N-OD2 3.34Å; T357-D360 WeakPolarHBondContact O-CB 3.42Å; T357-D360 PolarHBondContact O-N 2.93Å; T357-D360 VanDerWaalsContact O-N 3.1Å; T357-D360 VanDerWaalsContact OG1-CG 3.26Å; T357-D360 PolarHBondContact OG1-N 3.36Å; T357-D360 PolarHBondContact OG1-OD2 3.13Å; D360-R362 PolarHBondContact O-N 3.45Å; D360-K363 PolarHBondContact O-N 3.13Å; D360-I364 WeakPolarHBondContact O-CG1 3.46Å; D360-I364 PolarHBondContact O-N 3.35Å
361	L	98.4	Very high	97.2	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-65.9	-39	178.1	-49.9	-165.1	0	0	0	112.3	S220 L221 A336 L344 F351 V356 T357 L358 E359 K363 I364 L379	S220-L361 WeakPolarHBondContact CB-O 3.36Å; L221-L361 HydrophobicContact CB-CB 4.13Å; L221-L361 HydrophobicContact CD2-CB 4.43Å; A336-L361 HydrophobicContact CB-CD1 4.4Å; L344-L361 HydrophobicContact CD2-CD1 4.34Å; F351-L361 HydrophobicContact CE1-CD2 3.83Å; F351-L361 HydrophobicContact CE2-CD2 4.32Å; F351-L361 HydrophobicContact CZ-CD1 4.21Å; F351-L361 HydrophobicContact CZ-CD2 3.41Å; F351-L361 VanDerWaalsContact CZ-CD2 3.41Å; F351-L361 HydrophobicContact CZ-CG 4.4Å; V356-L361 HydrophobicContact CG1-CD2 3.84Å; T357-L361 PolarHBondContact O-N 3.1Å; L358-L361 HydrophobicContact CD2-CD1 4.32Å; L358-L361 PolarHBondContact O-N 3.28Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 3.09Å; L361-K363 PolarHBondContact O-N 2.72Å; L361-I364 HydrophobicContact CD2-CD1 4.13Å; L361-I364 PolarHBondContact O-N 3.23Å; L361-L379 HydrophobicContact CD1-CD2 4.39Å; L361-L379 HydrophobicContact CD2-CD1 4.26Å
362	R	98.4	Very high	96.6	Very high	84 Å²	84	63.9 Å²	63.9	32%	0.317	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-35	174.9	-68.7	-176.2	-166	98.5	7.1	112.1	L221 E223 L358 E359 D360	L221-R362 HydrophobicContact CB-CG 3.98Å; L221-R362 HydrophobicContact CD2-CG 3.98Å; E223-R362 VanDerWaalsContact CD-NH2 3.26Å; E223-R362 IonicContact OE1-CZ 3.69Å; E223-R362 IonicContact OE1-NE 3.9Å; E223-R362 IonicContact OE1-NH2 3.33Å; E223-R362 PolarHBondContact OE1-NH2 3.07Å; E223-R362 IonicContact OE2-CZ 2.83Å; E223-R362 IonicContact OE2-NE 3.82Å; E223-R362 PolarHBondContact OE2-NE 2.97Å; E223-R362 IonicContact OE2-NH2 3.12Å; E223-R362 PolarHBondContact OE2-NH2 3.18Å; E223-R362 VanDerWaalsContact OE2-NH2 3.11Å; L358-R362 PolarHBondContact O-N 3.21Å; L358-R362 VanDerWaalsContact O-N 3.12Å; E359-R362 PolarHBondContact O-N 3.06Å; E359-R362 IonicContact OE2-CZ 3.41Å; E359-R362 IonicContact OE2-NH1 3.56Å; E359-R362 PolarHBondContact OE2-NH1 3.32Å; D360-R362 PolarHBondContact O-N 3.45Å
363	K	98.1	Very high	96.4	Very high	143 Å²	143	65.9 Å²	65.9	62%	0.622	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.9	-175.9	-71.3	173.6	-179.2	154.8	0	114.7	E359 D360 L361 D365	E359-K363 WeakPolarHBondContact O-CG 3.34Å; E359-K363 PolarHBondContact O-N 3.18Å; E359-K363 WeakPolarHBondContact OE1-CE 3.47Å; E359-K363 IonicContact OE1-NZ 2.74Å; E359-K363 PolarHBondContact OE1-NZ 3.35Å; D360-K363 PolarHBondContact O-N 3.13Å; L361-K363 PolarHBondContact O-N 2.72Å; K363-D365 PolarHBondContact O-N 3.39Å
364	I	98.2	Very high	96.4	Very high	26 Å²	26	60.6 Å²	60.6	13%	0.133	32%	0.321	C	S	.	.			trans	-62.8	121.2	179.4	-62.9	174.4	0	0	0	109.7	S220 L335 D360 L361 R366 P375 M376 L379	S220-I364 WeakPolarHBondContact CB-O 3.44Å; S220-I364 PolarHBondContact OG-O 3.38Å; L335-I364 HydrophobicContact CD1-CB 4.09Å; L335-I364 HydrophobicContact CD1-CD1 4.04Å; L335-I364 HydrophobicContact CD1-CG2 3.51Å; D360-I364 WeakPolarHBondContact O-CG1 3.46Å; D360-I364 PolarHBondContact O-N 3.35Å; L361-I364 HydrophobicContact CD2-CD1 4.13Å; L361-I364 PolarHBondContact O-N 3.23Å; I364-R366 HydrophobicContact CG2-CB 4.46Å; I364-R366 PolarHBondContact O-N 2.83Å; I364-R366 VanDerWaalsContact O-N 3.09Å; I364-P375 HydrophobicContact CD1-CB 4.09Å; I364-M376 HydrophobicContact CG2-CB 4.03Å; I364-M376 HydrophobicContact CG2-CG 4.42Å; I364-M376 HydrophobicContact CG2-SD 4.48Å; I364-L379 HydrophobicContact CD1-CD1 3.88Å
365	D	97.4	Very high	96.5	Very high	106 Å²	106	57.9 Å²	57.9	57%	0.567	31%	0.309	S	S	*	.			trans	-75.2	92.8	168.9	-173.3	22.7	0	0	0	109.9	K363 N367 R368	K363-D365 PolarHBondContact O-N 3.39Å; D365-N367 PolarHBondContact OD1-OD1 2.9Å; D365-R368 WeakPolarHBondContact O-CD 3.42Å; D365-R368 WeakPolarHBondContact O-CG 3.41Å
366	R	97.8	Very high	96.6	Very high	13 Å²	13	56.5 Å²	56.5	5%	0.049	29%	0.292	C	S	.	.			trans	-88.7	-13.5	-166.2	72.3	175.8	-173.9	-75.4	-3.2	115.1	L215 L218 P219 S220 R296 Q331 W332 L333 L335 I364 R368 M376	L215-R366 PolarHBondContact O-NH2 3.13Å; L218-R366 PolarHBondContact O-NH1 3.43Å; L218-R366 PolarHBondContact O-NH2 3.16Å; P219-R366 PolarHBondContact O-NH1 2.95Å; S220-R366 WeakPolarHBondContact OG-CD 3.47Å; S220-R366 WeakPolarHBondContact OG-CG 3.31Å; S220-R366 PolarHBondContact OG-NH1 2.85Å; S220-R366 VanDerWaalsContact OG-NH1 3.16Å; R296-R366 PolarHBondContact NH1-O 3.34Å; Q331-R366 CarbonylContact O-C 3.42Å; W332-R366 PolarHBondContact O-NE 3.11Å; W332-R366 PolarHBondContact O-NH2 2.88Å; L333-R366 VanDerWaalsContact O-CD 3.23Å; L333-R366 WeakPolarHBondContact O-CD 3.33Å; L333-R366 PolarHBondContact O-NE 2.91Å; L335-R366 HydrophobicContact CD1-CB 3.86Å; L335-R366 HydrophobicContact CD2-CB 4.27Å; L335-R366 HydrophobicContact CG-CB 4.01Å; I364-R366 HydrophobicContact CG2-CB 4.46Å; I364-R366 PolarHBondContact O-N 2.83Å; I364-R366 VanDerWaalsContact O-N 3.09Å; R366-R368 PolarHBondContact O-N 2.72Å; R366-M376 WeakPolarHBondContact O-CE 3.4Å
367	N	97.1	Very high	96.6	Very high	58 Å²	58	56 Å²	56	31%	0.31	29%	0.29	S	S	.	.	S	Bend	trans	-75.7	49.1	-170.7	69.4	-8.6	0	0	0	113.6	Q331 W332 D365	Q331-N367 WeakPolarHBondContact O-CA 3.23Å; Q331-N367 PolarHBondContact OE1-O 2.72Å; W332-N367 HydrophobicContact CD2-CB 4.06Å; W332-N367 HydrophobicContact CE3-CB 3.93Å; W332-N367 HydrophobicContact CH2-CB 3.64Å; W332-N367 WeakPolarHBondContact CH2-ND2 3.44Å; W332-N367 HydrophobicContact CZ2-CB 3.71Å; W332-N367 HydrophobicContact CZ3-CB 3.75Å; D365-N367 PolarHBondContact OD1-OD1 2.9Å
368	R	94.7	Very high	96.6	Very high	118 Å²	118	54.1 Å²	54.1	45%	0.445	28%	0.278	S	S	.	.	S	Bend	trans	-153.4	169.7	-173	51.3	-178.8	-80.6	177.2	-7.4	110.2	R296 D365 R366 M376	R296-R368 PolarHBondContact NH1-O 2.9Å; R296-R368 PolarHBondContact NH2-O 3.4Å; D365-R368 WeakPolarHBondContact O-CD 3.42Å; D365-R368 WeakPolarHBondContact O-CG 3.41Å; R366-R368 PolarHBondContact O-N 2.72Å; R368-M376 HydrophobicContact CG-CE 4.44Å; R368-M376 HydrophobicContact CG-SD 4.23Å
369	Q	95.1	Very high	96.6	Very high	49 Å²	49	53.3 Å²	53.3	23%	0.229	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-67.9	145.3	163.4	-62.7	-60.9	-43.4	0	0	109.4	D302	D302-Q369 VanDerWaalsContact CG-CD 3.47Å; D302-Q369 PolarHBondContact OD1-NE2 2.75Å; D302-Q369 PolarHBondContact OD2-NE2 2.86Å; D302-Q369 VanDerWaalsContact OD2-NE2 3.14Å
370	P	94.5	Very high	96.6	Very high	27 Å²	27	49.6 Å²	49.6	18%	0.175	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-60.7	142.1	179.8	24.8	-33.1	0	0	0	110.8	T301 M376 L380	T301-P370 HydrophobicContact CG2-CG 3.68Å; P370-M376 HydrophobicContact CB-CE 4.24Å; P370-M376 HydrophobicContact CB-CG 4.4Å; P370-L380 HydrophobicContact CB-CD1 4.06Å; P370-L380 HydrophobicContact CG-CD1 4.31Å
371	P	93.3	Very high	96.6	Very high	39 Å²	39	47.9 Å²	47.9	25%	0.253	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-65.9	167.2	171.7	29.9	-34.8	0	0	0	111.5	S373 M376 C377	P371-S373 WeakPolarHBondContact CB-O 3.46Å; P371-S373 WeakPolarHBondContact CG-O 3.34Å; P371-S373 PolarHBondContact O-N 3.14Å; P371-M376 HydrophobicContact CG-CB 4.42Å; P371-C377 HydrophobicContact CG-CB 4.41Å; P371-C377 WeakPolarHBondContact O-CB 3.41Å
372	D	87.6	Confident	96.6	Very high	152 Å²	152	47.8 Å²	47.8	81%	0.813	24%	0.244	S	C	*	.	S	Bend	trans	-66.5	-21.3	176.4	-65.5	-26.4	0	0	0	112.8
373	S	92.7	Very high	96.6	Very high	86 Å²	86	43.8 Å²	43.8	60%	0.601	23%	0.229	S	C	*	.	S	Bend	trans	-155.8	170.4	178.8	64.9	0	0	0	0	112.1	P371	P371-S373 WeakPolarHBondContact CB-O 3.46Å; P371-S373 WeakPolarHBondContact CG-O 3.34Å; P371-S373 PolarHBondContact O-N 3.14Å
374	G	96.3	Very high	96.6	Very high	14 Å²	14	37.8 Å²	37.8	14%	0.144	21%	0.205	C	C	.	.	S	Bend	trans	97.8	-178.6	177.7	0	0	0	0	0	113.3	M376 C377 D378	G374-M376 PolarHBondContact O-N 3.18Å; G374-C377 WeakPolarHBondContact O-CA 3.47Å; G374-C377 VanDerWaalsContact O-CB 3.28Å; G374-C377 WeakPolarHBondContact O-CB 3.49Å; G374-C377 PolarHBondContact O-N 2.86Å; G374-D378 PolarHBondContact O-N 2.82Å
375	P	98.1	Very high	96.6	Very high	44 Å²	44	36.8 Å²	36.8	29%	0.286	20%	0.199	S	C	.	.	H	α-helix	trans	-58	-40.9	-163.9	-30.1	36.3	0	0	0	115.9	F351 I364 C377 D378 L379	F351-P375 HydrophobicContact CD1-CB 3.96Å; F351-P375 HydrophobicContact CE1-CB 3.89Å; I364-P375 HydrophobicContact CD1-CB 4.09Å; P375-C377 VanDerWaalsContact C-N 3.3Å; P375-C377 PolarHBondContact O-N 2.66Å; P375-D378 PolarHBondContact O-N 3.27Å; P375-L379 WeakPolarHBondContact O-CG 3.5Å; P375-L379 PolarHBondContact O-N 3.4Å
376	M	98.6	Very high	96.5	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.039	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-35.7	175.5	-178.7	-179.4	-178.6	0	0	112.3	L335 I364 R366 R368 P370 P371 G374 L380	L335-M376 HydrophobicContact CD1-CB 4.3Å; L335-M376 HydrophobicContact CD1-CG 3.85Å; L335-M376 HydrophobicContact CD2-CE 4.28Å; L335-M376 HydrophobicContact CD2-CG 4.4Å; I364-M376 HydrophobicContact CG2-CB 4.03Å; I364-M376 HydrophobicContact CG2-CG 4.42Å; I364-M376 HydrophobicContact CG2-SD 4.48Å; R366-M376 WeakPolarHBondContact O-CE 3.4Å; R368-M376 HydrophobicContact CG-CE 4.44Å; R368-M376 HydrophobicContact CG-SD 4.23Å; P370-M376 HydrophobicContact CB-CE 4.24Å; P370-M376 HydrophobicContact CB-CG 4.4Å; P371-M376 HydrophobicContact CG-CB 4.42Å; G374-M376 PolarHBondContact O-N 3.18Å; M376-L380 WeakPolarHBondContact O-CG 3.45Å
377	C	98.3	Very high	96.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.2	-46.6	175.8	-177.9	0	0	0	0	110	P371 G374 P375 L379 L380 W381 V397	P371-C377 HydrophobicContact CG-CB 4.41Å; P371-C377 WeakPolarHBondContact O-CB 3.41Å; G374-C377 WeakPolarHBondContact O-CA 3.47Å; G374-C377 VanDerWaalsContact O-CB 3.28Å; G374-C377 WeakPolarHBondContact O-CB 3.49Å; G374-C377 PolarHBondContact O-N 2.86Å; P375-C377 VanDerWaalsContact C-N 3.3Å; P375-C377 PolarHBondContact O-N 2.66Å; C377-L379 PolarHBondContact O-N 2.7Å; C377-L380 PolarHBondContact O-N 3.47Å; C377-L380 VanDerWaalsContact O-N 3.08Å; C377-W381 WeakPolarHBondContact O-CB 3.47Å; C377-W381 PolarHBondContact O-N 2.78Å; C377-V397 WeakPolarHBondContact SG-CG2 3.17Å
378	D	98.7	Very high	96.5	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.011	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-42.1	-176.8	-62	-16.4	0	0	0	112.9	G349 F351 S352 G374 P375 L380 W381 S382 S398	G349-D378 PolarHBondContact N-O 2.98Å; F351-D378 HydrophobicContact CD1-CB 4.02Å; S352-D378 WeakPolarHBondContact CB-OD2 3.4Å; S352-D378 PolarHBondContact N-OD2 3.2Å; S352-D378 PolarHBondContact OG-OD2 2.94Å; G374-D378 PolarHBondContact O-N 2.82Å; P375-D378 PolarHBondContact O-N 3.27Å; D378-L380 PolarHBondContact O-N 2.92Å; D378-L380 VanDerWaalsContact O-N 3.07Å; D378-W381 PolarHBondContact O-N 2.89Å; D378-S382 WeakPolarHBondContact O-CB 3.49Å; D378-S382 PolarHBondContact O-N 3.07Å; D378-S382 PolarHBondContact O-OG 3.43Å; D378-S382 VanDerWaalsContact O-OG 3.09Å; D378-S398 VanDerWaalsContact CA-OG 3.31Å; D378-S398 WeakPolarHBondContact CA-OG 3.43Å; D378-S398 VanDerWaalsContact CG-OG 3.3Å; D378-S398 WeakPolarHBondContact OD1-CB 3.21Å; D378-S398 PolarHBondContact OD1-OG 3.48Å
379	L	98.8	Very high	96.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-25.3	174.7	-77.1	171.7	0	0	0	113.8	L335 A336 M346 G348 F351 L361 I364 P375 C377	L335-L379 HydrophobicContact CB-CD1 3.8Å; L335-L379 HydrophobicContact CD1-CD1 4.29Å; A336-L379 HydrophobicContact CB-CD2 4.45Å; M346-L379 HydrophobicContact CB-CD2 3.78Å; M346-L379 HydrophobicContact CE-CD2 4.06Å; M346-L379 HydrophobicContact CG-CD2 3.9Å; G348-L379 VanDerWaalsContact CA-O 3.31Å; G348-L379 WeakPolarHBondContact CA-O 3.33Å; G348-L379 PolarHBondContact N-O 3.35Å; F351-L379 HydrophobicContact CE1-CD1 4.47Å; F351-L379 HydrophobicContact CE1-CD2 4.02Å; F351-L379 HydrophobicContact CE1-CG 3.81Å; F351-L379 HydrophobicContact CZ-CD2 3.75Å; F351-L379 HydrophobicContact CZ-CG 4.07Å; L361-L379 HydrophobicContact CD1-CD2 4.39Å; L361-L379 HydrophobicContact CD2-CD1 4.26Å; I364-L379 HydrophobicContact CD1-CD1 3.88Å; P375-L379 WeakPolarHBondContact O-CG 3.5Å; P375-L379 PolarHBondContact O-N 3.4Å; C377-L379 PolarHBondContact O-N 2.7Å
380	L	98.6	Very high	96.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-103	-19.8	-176.4	-57.4	179.2	0	0	0	113.1	R296 N298 L335 H347 P370 M376 C377 D378	R296-L380 HydrophobicContact CB-CD2 4.13Å; R296-L380 HydrophobicContact CG-CD2 4.41Å; R296-L380 WeakPolarHBondContact O-CD2 3.39Å; N298-L380 HydrophobicContact CB-CB 4.34Å; L335-L380 HydrophobicContact CD2-CD2 4.46Å; H347-L380 PolarHBondContact CD2-O 2.86Å; P370-L380 HydrophobicContact CB-CD1 4.06Å; P370-L380 HydrophobicContact CG-CD1 4.31Å; M376-L380 WeakPolarHBondContact O-CG 3.45Å; C377-L380 PolarHBondContact O-N 3.47Å; C377-L380 VanDerWaalsContact O-N 3.08Å; D378-L380 PolarHBondContact O-N 2.92Å; D378-L380 VanDerWaalsContact O-N 3.07Å
381	W	97.9	Very high	96.8	Very high	34 Å²	34	41.1 Å²	41.1	13%	0.129	24%	0.239	C	C	.	.	H	α-helix	trans	-131.4	-15.2	-164.9	-75.1	101.5	0	0	0	116.3	N298 M304 C377 D378 V397 H422	N298-W381 HydrophobicContact CB-CD2 3.78Å; N298-W381 VanDerWaalsContact CB-CE2 3.43Å; N298-W381 HydrophobicContact CB-CE3 4.19Å; N298-W381 HydrophobicContact CB-CG 4.35Å; N298-W381 HydrophobicContact CB-CH2 4.07Å; N298-W381 HydrophobicContact CB-CZ2 3.6Å; N298-W381 HydrophobicContact CB-CZ3 4.33Å; N298-W381 WeakPolarHBondContact ND2-CH2 3.45Å; N298-W381 WeakPolarHBondContact ND2-CZ3 3.37Å; M304-W381 HydrophobicContact CE-CH2 4.05Å; M304-W381 HydrophobicContact CE-CZ2 4.25Å; M304-W381 HydrophobicContact CG-CH2 4.37Å; M304-W381 HydrophobicContact CG-CZ2 4.32Å; M304-W381 HydrophobicContact SD-CH2 3.65Å; M304-W381 HydrophobicContact SD-CZ2 4.11Å; C377-W381 WeakPolarHBondContact O-CB 3.47Å; C377-W381 PolarHBondContact O-N 2.78Å; D378-W381 PolarHBondContact O-N 2.89Å; W381-V397 HydrophobicContact CB-CG1 4.13Å; W381-V397 HydrophobicContact CB-CG2 4.43Å; W381-V397 HydrophobicContact CD2-CG1 3.43Å; W381-V397 VanDerWaalsContact CD2-CG1 3.43Å; W381-V397 HydrophobicContact CD2-CG2 4.32Å; W381-V397 HydrophobicContact CE3-CG1 3.3Å; W381-V397 HydrophobicContact CG-CG1 3.84Å; W381-V397 HydrophobicContact CG-CG2 4.08Å; W381-V397 HydrophobicContact CH2-CG1 4.33Å; W381-V397 HydrophobicContact CZ2-CG1 4.46Å; W381-V397 HydrophobicContact CZ3-CG1 3.79Å; W381-H422 AromaticContact CE3-CE1 3.98Å; W381-H422 PolarHBondContact O-NE2 3.15Å
382	S	98.4	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.26	C	S	.	.			trans	-76.3	151.7	-175.5	72.7	0	0	0	0	112	G348 G349 L350 D378 S398 C399 F401 R420	G348-S382 CarbonylContact C-O 2.96Å; G349-S382 WeakPolarHBondContact CA-OG 3.32Å; G349-S382 PolarHBondContact N-OG 3.36Å; L350-S382 PolarHBondContact N-OG 3.29Å; L350-S382 VanDerWaalsContact O-CB 3.24Å; L350-S382 WeakPolarHBondContact O-CB 3.48Å; L350-S382 PolarHBondContact O-OG 2.96Å; D378-S382 WeakPolarHBondContact O-CB 3.49Å; D378-S382 PolarHBondContact O-N 3.07Å; D378-S382 PolarHBondContact O-OG 3.43Å; D378-S382 VanDerWaalsContact O-OG 3.09Å; S382-S398 WeakPolarHBondContact CB-OG 3.22Å; S382-C399 VanDerWaalsContact CA-O 3.28Å; S382-C399 WeakPolarHBondContact CA-O 3.46Å; S382-C399 VanDerWaalsContact CB-O 3.26Å; S382-C399 WeakPolarHBondContact CB-O 3.43Å; S382-F401 WeakPolarHBondContact OG-CE1 3.32Å; S382-R420 PolarHBondContact O-NH2 2.99Å
383	D	98.3	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.9	177.9	-64.2	-55.4	0	0	0	111.1	K394 R395 C399 Q400 F401 R420 H422 E423	D383-K394 WeakPolarHBondContact OD2-CE 3.28Å; D383-R395 IonicContact OD1-CZ 3.11Å; D383-R395 IonicContact OD1-NE 3.73Å; D383-R395 PolarHBondContact OD1-NE 3.05Å; D383-R395 IonicContact OD1-NH2 2.77Å; D383-R395 PolarHBondContact OD1-NH2 2.86Å; D383-R395 IonicContact OD2-CZ 3.85Å; D383-R395 IonicContact OD2-NE 3.37Å; D383-R395 PolarHBondContact OD2-NE 3.38Å; D383-R395 IonicContact OD2-NH2 2.73Å; D383-C399 PolarHBondContact N-O 3.46Å; D383-Q400 HydrophobicContact CB-CG 4.3Å; D383-Q400 CarbonylContact O-C 3.56Å; D383-Q400 WeakPolarHBondContact O-CA 3.37Å; D383-F401 WeakPolarHBondContact O-CD1 3.49Å; D383-F401 WeakPolarHBondContact O-CE1 3.19Å; D383-F401 PolarHBondContact O-N 3.14Å; D383-R420 IonicContact OD1-CZ 3.82Å; D383-R420 IonicContact OD1-NH1 2.7Å; D383-R420 IonicContact OD1-NH2 2.66Å; D383-R420 PolarHBondContact OD1-NH2 3.44Å; D383-H422 IonicContact OD1-CD2 3.5Å; D383-H422 PolarHBondContact OD1-CD2 2.74Å; D383-H422 VanDerWaalsContact OD1-CD2 3.24Å; D383-H422 IonicContact OD1-NE2 3.42Å; D383-E423 VanDerWaalsContact OD1-CG 3.31Å; D383-E423 WeakPolarHBondContact OD1-CG 3.5Å
384	P	98.4	Very high	96.7	Very high	16 Å²	16	36.9 Å²	36.9	10%	0.104	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	149.9	169.3	28.9	-33.8	0	0	0	111.5	F401 H433	P384-F401 CarbonylContact C-O 3.59Å; P384-F401 WeakPolarHBondContact CA-O 3.21Å; P384-F401 HydrophobicContact CB-CE2 4.15Å; P384-F401 HydrophobicContact CB-CZ 4.08Å; P384-H433 VanDerWaalsContact CB-CE1 3.5Å; P384-H433 WeakPolarHBondContact CB-CE1 3.4Å
385	Q	97.7	Very high	96.2	Very high	5 Å²	5	38 Å²	38	2%	0.023	20%	0.203	C	C	.	.			trans	-128.6	147.7	170	55.6	170	53.9	0	0	110.9	Q387 N388 G389 S391 Q400 F401 H433	Q385-Q387 VanDerWaalsContact C-N 3.34Å; Q385-Q387 WeakPolarHBondContact CG-O 3.2Å; Q385-Q387 PolarHBondContact NE2-O 3.49Å; Q385-Q387 PolarHBondContact O-N 3.27Å; Q385-N388 PolarHBondContact NE2-O 3.45Å; Q385-G389 PolarHBondContact NE2-O 3.25Å; Q385-S391 PolarHBondContact OE1-OG 3.02Å; Q385-Q400 HydrophobicContact CB-CB 4.06Å; Q385-Q400 HydrophobicContact CG-CB 4.01Å; Q385-F401 VanDerWaalsContact CG-C 3.4Å; Q385-F401 WeakPolarHBondContact CG-O 3.23Å; Q385-F401 PolarHBondContact N-O 3.06Å; Q385-H433 PolarHBondContact O-NE2 3.01Å
386	P	96.2	Very high	95.7	Very high	116 Å²	116	37 Å²	37	75%	0.753	20%	0.201	S	C	*	.	S	Bend	trans	-69.4	-31.1	-175.8	26.1	-33.4	0	0	0	113.4
387	Q	96.9	Very high	95.3	Very high	98 Å²	98	38 Å²	38	46%	0.458	21%	0.207	S	C	.	.	S	Bend	trans	-84.5	150.7	179.2	71.9	-76.7	4.8	0	0	112.4	Q385 G402	Q385-Q387 VanDerWaalsContact C-N 3.34Å; Q385-Q387 WeakPolarHBondContact CG-O 3.2Å; Q385-Q387 PolarHBondContact NE2-O 3.49Å; Q385-Q387 PolarHBondContact O-N 3.27Å; Q387-G402 VanDerWaalsContact O-CA 3.25Å; Q387-G402 WeakPolarHBondContact O-CA 3.46Å
388	N	98.4	Very high	95.2	Very high	111 Å²	111	39.2 Å²	39.2	59%	0.594	22%	0.216	S	C	*	.	S	Bend	trans	-61.2	160.2	176.3	-72.3	-8	0	0	0	112.9	Q385 P403 D404	Q385-N388 PolarHBondContact NE2-O 3.45Å; N388-P403 WeakPolarHBondContact OD1-CG 3.32Å; N388-D404 VanDerWaalsContact CA-OD1 3.26Å; N388-D404 WeakPolarHBondContact CA-OD1 3.47Å; N388-D404 HydrophobicContact CB-CB 4.37Å
389	G	97.9	Very high	95.1	Very high	23 Å²	23	39.6 Å²	39.6	24%	0.237	22%	0.218	C	C	.	.	S	Bend	trans	83.8	-154.6	178.3	0	0	0	0	0	113	Q385 G402 D404	Q385-G389 PolarHBondContact NE2-O 3.25Å; G389-G402 PolarHBondContact O-N 3.49Å; G389-D404 VanDerWaalsContact N-CG 3.28Å; G389-D404 PolarHBondContact N-OD1 2.84Å; G389-D404 PolarHBondContact N-OD2 3.29Å
390	R	97.9	Very high	95.1	Very high	75 Å²	75	40.3 Å²	40.3	28%	0.283	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.3	-179.3	-66.9	174.8	174.2	88.8	-5.8	110.5	F351 S352 E353 D354 Q400 V405	F351-R390 PolarHBondContact O-NE 2.99Å; F351-R390 PolarHBondContact O-NH2 2.8Å; F351-R390 VanDerWaalsContact O-NH2 3.15Å; S352-R390 VanDerWaalsContact O-CD 3.23Å; S352-R390 WeakPolarHBondContact O-CD 3.45Å; S352-R390 PolarHBondContact O-NE 3.05Å; E353-R390 PolarHBondContact O-NH2 3.18Å; D354-R390 VanDerWaalsContact CG-NH1 3.28Å; D354-R390 IonicContact OD1-CZ 2.85Å; D354-R390 IonicContact OD1-NH1 3.92Å; D354-R390 PolarHBondContact OD1-NH1 3.2Å; D354-R390 IonicContact OD1-NH2 3.87Å; D354-R390 PolarHBondContact OD1-NH2 3.38Å; D354-R390 IonicContact OD2-NH1 3.23Å; D354-R390 PolarHBondContact OD2-NH1 3.31Å; D354-R390 VanDerWaalsContact OD2-NH1 3.16Å; R390-Q400 WeakPolarHBondContact CA-O 3.32Å; R390-V405 HydrophobicContact CG-CG2 3.94Å; R390-V405 VanDerWaalsContact NH2-CG1 3.35Å
391	S	94.1	Very high	95.1	Very high	40 Å²	40	40.3 Å²	40.3	28%	0.28	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	162.5	173	-47.8	0	0	0	0	110.9	Q385 S393 C399 Q400	Q385-S391 PolarHBondContact OE1-OG 3.02Å; S391-S393 PolarHBondContact O-N 3.25Å; S391-C399 CarbonylContact O-C 3.54Å; S391-C399 WeakPolarHBondContact O-CA 3.5Å; S391-Q400 PolarHBondContact N-O 3.35Å; S391-Q400 PolarHBondContact O-N 2.84Å
392	I	90.4	Very high	95.1	Very high	138 Å²	138	38.7 Å²	38.7	71%	0.708	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	131.1	168.1	-61.9	173.7	0	0	0	108.2	K394	I392-K394 PolarHBondContact O-N 3.47Å
393	S	92.1	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.			trans	-60	136.2	179.7	176.3	0	0	0	0	111.8	S391 R395 G396 V397	S391-S393 PolarHBondContact O-N 3.25Å; S393-R395 PolarHBondContact O-N 2.75Å; S393-R395 VanDerWaalsContact O-N 3.11Å; S393-R395 WeakPolarHBondContact OG-CB 3.45Å; S393-R395 PolarHBondContact OG-N 3.1Å; S393-G396 PolarHBondContact O-N 3.08Å; S393-V397 WeakPolarHBondContact CB-O 3.5Å; S393-V397 PolarHBondContact OG-O 3.49Å
394	K	88.6	Confident	95.2	Very high	50 Å²	50	43 Å²	43	22%	0.217	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.1	168.5	65.8	-175	175.9	-175.4	0	112.3	C72 Y73 G74 Y75 D383 I392 G396 E423	C72-K394 CarbonylContact C-O 3.48Å; C72-K394 WeakPolarHBondContact CA-O 3.47Å; C72-K394 HydrophobicContact CB-CB 4.26Å; Y73-K394 PolarHBondContact N-O 3.01Å; G74-K394 WeakPolarHBondContact CA-O 3.36Å; G74-K394 PolarHBondContact N-O 3.37Å; Y75-K394 HydrophobicContact CD1-CB 4.47Å; Y75-K394 HydrophobicContact CD2-CB 3.73Å; Y75-K394 HydrophobicContact CE1-CB 4.17Å; Y75-K394 HydrophobicContact CE2-CB 3.39Å; Y75-K394 HydrophobicContact CG-CB 4.26Å; Y75-K394 PolarHBondContact N-O 2.88Å; D383-K394 WeakPolarHBondContact OD2-CE 3.28Å; I392-K394 PolarHBondContact O-N 3.47Å; K394-G396 VanDerWaalsContact C-N 3.35Å; K394-E423 IonicContact NZ-OE1 3.48Å; K394-E423 PolarHBondContact NZ-OE1 2.81Å
395	R	86.6	Confident	95.2	Very high	38 Å²	38	42.5 Å²	42.5	14%	0.143	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.3	178.8	-52.9	-176.3	-173.4	-108.5	15.8	113.5	L104 D383 S393 V397 H422	L104-R395 WeakPolarHBondContact CD2-O 3.45Å; D383-R395 IonicContact OD1-CZ 3.11Å; D383-R395 IonicContact OD1-NE 3.73Å; D383-R395 PolarHBondContact OD1-NE 3.05Å; D383-R395 IonicContact OD1-NH2 2.77Å; D383-R395 PolarHBondContact OD1-NH2 2.86Å; D383-R395 IonicContact OD2-CZ 3.85Å; D383-R395 IonicContact OD2-NE 3.37Å; D383-R395 PolarHBondContact OD2-NE 3.38Å; D383-R395 IonicContact OD2-NH2 2.73Å; S393-R395 PolarHBondContact O-N 2.75Å; S393-R395 VanDerWaalsContact O-N 3.11Å; S393-R395 WeakPolarHBondContact OG-CB 3.45Å; S393-R395 PolarHBondContact OG-N 3.1Å; R395-V397 VanDerWaalsContact C-N 3.28Å; R395-V397 HydrophobicContact CB-CG1 4.16Å; R395-V397 PolarHBondContact O-N 3.17Å; R395-H422 VanDerWaalsContact CD-NE2 3.25Å; R395-H422 WeakPolarHBondContact CD-NE2 3.49Å; R395-H422 VanDerWaalsContact CZ-CD2 3.44Å; R395-H422 PolarHBondContact NE-NE2 3.27Å; R395-H422 PolarHBondContact NH2-CD2 3.35Å; R395-H422 PolarHBondContact NH2-NE2 2.83Å; R395-H422 PolarHBondContact NH2-O 2.79Å
396	G	86.3	Confident	95.3	Very high	22 Å²	22	42.2 Å²	42.2	23%	0.227	24%	0.235	C	C	.	.	S	Bend	trans	76.9	11.9	179	0	0	0	0	0	115.2	S393 K394	S393-G396 PolarHBondContact O-N 3.08Å; K394-G396 VanDerWaalsContact C-N 3.35Å
397	V	90.4	Very high	95.4	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.182	22%	0.219	C	C	.	.	S	Bend	trans	-142.7	142.8	175.9	56.8	0	0	0	0	108.2	C377 W381 S393 R395	C377-V397 WeakPolarHBondContact SG-CG2 3.17Å; W381-V397 HydrophobicContact CB-CG1 4.13Å; W381-V397 HydrophobicContact CB-CG2 4.43Å; W381-V397 HydrophobicContact CD2-CG1 3.43Å; W381-V397 VanDerWaalsContact CD2-CG1 3.43Å; W381-V397 HydrophobicContact CD2-CG2 4.32Å; W381-V397 HydrophobicContact CE3-CG1 3.3Å; W381-V397 HydrophobicContact CG-CG1 3.84Å; W381-V397 HydrophobicContact CG-CG2 4.08Å; W381-V397 HydrophobicContact CH2-CG1 4.33Å; W381-V397 HydrophobicContact CZ2-CG1 4.46Å; W381-V397 HydrophobicContact CZ3-CG1 3.79Å; S393-V397 WeakPolarHBondContact CB-O 3.5Å; S393-V397 PolarHBondContact OG-O 3.49Å; R395-V397 VanDerWaalsContact C-N 3.28Å; R395-V397 HydrophobicContact CB-CG1 4.16Å; R395-V397 PolarHBondContact O-N 3.17Å
398	S	95.9	Very high	95.5	Very high	25 Å²	25	40.4 Å²	40.4	18%	0.175	22%	0.217	C	C	.	.	S	Bend	trans	58	-152.3	-170.8	-170.3	0	0	0	0	113.7	D378 S382	D378-S398 VanDerWaalsContact CA-OG 3.31Å; D378-S398 WeakPolarHBondContact CA-OG 3.43Å; D378-S398 VanDerWaalsContact CG-OG 3.3Å; D378-S398 WeakPolarHBondContact OD1-CB 3.21Å; D378-S398 PolarHBondContact OD1-OG 3.48Å; S382-S398 WeakPolarHBondContact CB-OG 3.22Å
399	C	97.5	Very high	95.5	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	168.9	-175	66.9	0	0	0	0	112.4	S352 S382 D383 S391	S352-C399 VanDerWaalsContact CA-SG 3.53Å; S382-C399 VanDerWaalsContact CA-O 3.28Å; S382-C399 WeakPolarHBondContact CA-O 3.46Å; S382-C399 VanDerWaalsContact CB-O 3.26Å; S382-C399 WeakPolarHBondContact CB-O 3.43Å; D383-C399 PolarHBondContact N-O 3.46Å; S391-C399 CarbonylContact O-C 3.54Å; S391-C399 WeakPolarHBondContact O-CA 3.5Å
400	Q	98.3	Very high	95.5	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.075	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144.8	156.3	-77.2	169.3	-28.8	0	0	109.7	Y75 D383 Q385 R390 S391	Y75-Q400 PolarHBondContact OH-OE1 3.36Å; Y75-Q400 VanDerWaalsContact OH-OE1 3.11Å; D383-Q400 HydrophobicContact CB-CG 4.3Å; D383-Q400 CarbonylContact O-C 3.56Å; D383-Q400 WeakPolarHBondContact O-CA 3.37Å; Q385-Q400 HydrophobicContact CB-CB 4.06Å; Q385-Q400 HydrophobicContact CG-CB 4.01Å; R390-Q400 WeakPolarHBondContact CA-O 3.32Å; S391-Q400 PolarHBondContact N-O 3.35Å; S391-Q400 PolarHBondContact O-N 2.84Å
401	F	98.8	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.1	-176.9	62.4	-89.1	0	0	0	112.8	L350 S382 D383 P384 Q385 V405 T406 I418 H433	L350-F401 HydrophobicContact CB-CD1 4.16Å; L350-F401 HydrophobicContact CB-CD2 3.9Å; L350-F401 HydrophobicContact CB-CE1 4.3Å; L350-F401 HydrophobicContact CB-CE2 4.03Å; L350-F401 HydrophobicContact CB-CG 3.97Å; L350-F401 HydrophobicContact CB-CZ 4.23Å; L350-F401 HydrophobicContact CD1-CD2 4.03Å; L350-F401 HydrophobicContact CD1-CE2 3.96Å; L350-F401 HydrophobicContact CG-CD2 4.19Å; L350-F401 HydrophobicContact CG-CE2 3.93Å; L350-F401 HydrophobicContact CG-CZ 4.24Å; L350-F401 VanDerWaalsContact N-CE1 3.29Å; S382-F401 WeakPolarHBondContact OG-CE1 3.32Å; D383-F401 WeakPolarHBondContact O-CD1 3.49Å; D383-F401 WeakPolarHBondContact O-CE1 3.19Å; D383-F401 PolarHBondContact O-N 3.14Å; P384-F401 CarbonylContact C-O 3.59Å; P384-F401 WeakPolarHBondContact CA-O 3.21Å; P384-F401 HydrophobicContact CB-CE2 4.15Å; P384-F401 HydrophobicContact CB-CZ 4.08Å; Q385-F401 VanDerWaalsContact CG-C 3.4Å; Q385-F401 WeakPolarHBondContact CG-O 3.23Å; Q385-F401 PolarHBondContact N-O 3.06Å; F401-V405 HydrophobicContact CB-CB 4.11Å; F401-V405 HydrophobicContact CB-CG1 3.91Å; F401-V405 HydrophobicContact CB-CG2 4.43Å; F401-T406 WeakPolarHBondContact CD2-OG1 3.46Å; F401-T406 WeakPolarHBondContact CE2-OG1 3.44Å; F401-I418 HydrophobicContact CE2-CD1 4.28Å; F401-I418 HydrophobicContact CZ-CD1 4.32Å; F401-H433 AromaticContact CD2-CE1 3.91Å; F401-H433 AromaticContact CE2-CE1 3.88Å; F401-H433 PolarHBondContact O-CE1 2.92Å; F401-H433 VanDerWaalsContact O-CE1 3.25Å
402	G	98.8	Very high	95.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.			trans	-84.1	178.6	-176.2	0	0	0	0	0	115.5	Q387 G389 D404 V405 T406 H433	Q387-G402 VanDerWaalsContact O-CA 3.25Å; Q387-G402 WeakPolarHBondContact O-CA 3.46Å; G389-G402 PolarHBondContact O-N 3.49Å; G402-D404 VanDerWaalsContact C-N 3.3Å; G402-D404 PolarHBondContact O-N 3.16Å; G402-V405 PolarHBondContact O-N 3.3Å; G402-T406 PolarHBondContact O-N 3.36Å; G402-T406 VanDerWaalsContact O-N 3.14Å; G402-T406 PolarHBondContact O-OG1 3.07Å; G402-T406 VanDerWaalsContact O-OG1 3.1Å; G402-H433 PolarHBondContact O-CE1 2.76Å
403	P	98.8	Very high	96.2	Very high	29 Å²	29	33 Å²	33	19%	0.188	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-35	176.3	-0.4	3.8	0	0	0	113.1	N388 T406 Q407 H433	N388-P403 WeakPolarHBondContact OD1-CG 3.32Å; P403-T406 PolarHBondContact O-N 3.5Å; P403-Q407 WeakPolarHBondContact O-CB 3.35Å; P403-Q407 PolarHBondContact O-N 3.35Å; P403-H433 HydrophobicContact CB-CB 4Å
404	D	98.8	Very high	96.5	Very high	62 Å²	62	41 Å²	41	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-43.9	175.3	59.8	-34	0	0	0	112.3	N388 G389 G402 T406 Q407 H408	N388-D404 VanDerWaalsContact CA-OD1 3.26Å; N388-D404 WeakPolarHBondContact CA-OD1 3.47Å; N388-D404 HydrophobicContact CB-CB 4.37Å; G389-D404 VanDerWaalsContact N-CG 3.28Å; G389-D404 PolarHBondContact N-OD1 2.84Å; G389-D404 PolarHBondContact N-OD2 3.29Å; G402-D404 VanDerWaalsContact C-N 3.3Å; G402-D404 PolarHBondContact O-N 3.16Å; D404-T406 VanDerWaalsContact C-N 3.31Å; D404-T406 PolarHBondContact O-N 2.97Å; D404-Q407 PolarHBondContact O-N 3.32Å; D404-H408 WeakPolarHBondContact O-CB 3.34Å; D404-H408 PolarHBondContact O-N 2.82Å
405	V	98.8	Very high	97	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-44.3	174.6	177.4	0	0	0	0	110.7	R390 F401 G402 H408 F409	R390-V405 HydrophobicContact CG-CG2 3.94Å; R390-V405 VanDerWaalsContact NH2-CG1 3.35Å; F401-V405 HydrophobicContact CB-CB 4.11Å; F401-V405 HydrophobicContact CB-CG1 3.91Å; F401-V405 HydrophobicContact CB-CG2 4.43Å; G402-V405 PolarHBondContact O-N 3.3Å; V405-H408 PolarHBondContact O-N 2.69Å; V405-F409 WeakPolarHBondContact O-CB 3.49Å; V405-F409 PolarHBondContact O-N 3.46Å
406	T	98.9	Very high	97.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-48	178.7	-55.8	0	0	0	0	111.4	L350 F401 G402 P403 D404 H408 F409 L410 H433 K436 C437	L350-T406 VanDerWaalsContact CD1-CA 3.48Å; L350-T406 HydrophobicContact CD1-CG2 4.13Å; F401-T406 WeakPolarHBondContact CD2-OG1 3.46Å; F401-T406 WeakPolarHBondContact CE2-OG1 3.44Å; G402-T406 PolarHBondContact O-N 3.36Å; G402-T406 VanDerWaalsContact O-N 3.14Å; G402-T406 PolarHBondContact O-OG1 3.07Å; G402-T406 VanDerWaalsContact O-OG1 3.1Å; P403-T406 PolarHBondContact O-N 3.5Å; D404-T406 VanDerWaalsContact C-N 3.31Å; D404-T406 PolarHBondContact O-N 2.97Å; T406-H408 PolarHBondContact O-N 3.45Å; T406-F409 PolarHBondContact O-N 2.98Å; T406-L410 HydrophobicContact CG2-CD1 3.8Å; T406-L410 HydrophobicContact CG2-CG 4.46Å; T406-L410 WeakPolarHBondContact O-CB 3.33Å; T406-L410 WeakPolarHBondContact O-CD1 3.47Å; T406-L410 WeakPolarHBondContact O-CG 3.47Å; T406-L410 PolarHBondContact O-N 3.07Å; T406-L410 VanDerWaalsContact O-N 3.08Å; T406-H433 HydrophobicContact CG2-CB 4.42Å; T406-H433 PolarHBondContact OG1-CE1 3.06Å; T406-H433 PolarHBondContact OG1-ND1 3.43Å; T406-K436 HydrophobicContact CG2-CB 3.87Å; T406-C437 HydrophobicContact CG2-CB 4.3Å
407	Q	98.8	Very high	98.1	Very high	88 Å²	88	41 Å²	41	41%	0.411	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-48.3	178.2	173.7	162.8	7.8	0	0	111.8	P403 D404 F409 L410 E411	P403-Q407 WeakPolarHBondContact O-CB 3.35Å; P403-Q407 PolarHBondContact O-N 3.35Å; D404-Q407 PolarHBondContact O-N 3.32Å; Q407-F409 PolarHBondContact O-N 3.13Å; Q407-L410 PolarHBondContact O-N 3.25Å; Q407-E411 HydrophobicContact CG-CG 4.42Å; Q407-E411 WeakPolarHBondContact CG-OE1 3.39Å; Q407-E411 PolarHBondContact NE2-OE1 3.03Å; Q407-E411 WeakPolarHBondContact O-CB 3.19Å; Q407-E411 WeakPolarHBondContact O-CG 3.45Å; Q407-E411 PolarHBondContact O-N 2.89Å
408	H	98.7	Very high	98.5	Very high	88 Å²	88	39.6 Å²	39.6	41%	0.407	19%	0.194	S	C	.	.	H	α-helix	trans	-62.2	-45.7	-178.2	-176	63.7	0	0	0	112.1	D404 V405 T406 L410 E411 Q412	D404-H408 WeakPolarHBondContact O-CB 3.34Å; D404-H408 PolarHBondContact O-N 2.82Å; V405-H408 PolarHBondContact O-N 2.69Å; T406-H408 PolarHBondContact O-N 3.45Å; H408-L410 PolarHBondContact O-N 2.77Å; H408-E411 PolarHBondContact O-N 2.94Å; H408-Q412 WeakPolarHBondContact O-CB 3.4Å; H408-Q412 PolarHBondContact O-N 3.09Å
409	F	98.9	Very high	98.7	Very high	12 Å²	12	38.4 Å²	38.4	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-44.2	178	177.2	-92.2	0	0	0	112.2	L344 L350 F351 V356 V405 T406 Q407 N413 L415	L344-F409 HydrophobicContact CD2-CE1 3.53Å; L344-F409 HydrophobicContact CD2-CZ 3.73Å; L350-F409 HydrophobicContact CD1-CB 4.14Å; L350-F409 HydrophobicContact CD1-CD1 4.39Å; L350-F409 HydrophobicContact CD1-CG 4.4Å; L350-F409 HydrophobicContact CD2-CD1 3.62Å; L350-F409 HydrophobicContact CD2-CD2 4.44Å; L350-F409 HydrophobicContact CD2-CE1 3.86Å; L350-F409 HydrophobicContact CD2-CG 3.94Å; L350-F409 HydrophobicContact CD2-CZ 4.37Å; F351-F409 HydrophobicContact CD2-CD2 4.11Å; F351-F409 AromaticContact CD2-CE2 3.97Å; F351-F409 HydrophobicContact CD2-CE2 3.97Å; F351-F409 HydrophobicContact CE2-CD2 4.05Å; F351-F409 AromaticContact CE2-CE2 3.47Å; F351-F409 HydrophobicContact CE2-CE2 3.47Å; F351-F409 VanDerWaalsContact CE2-CE2 3.47Å; F351-F409 AromaticContact CE2-CZ 3.94Å; F351-F409 HydrophobicContact CE2-CZ 3.94Å; V356-F409 WeakPolarHBondContact O-CD2 3.44Å; V356-F409 VanDerWaalsContact O-CE2 3.23Å; V356-F409 WeakPolarHBondContact O-CE2 2.98Å; V405-F409 WeakPolarHBondContact O-CB 3.49Å; V405-F409 PolarHBondContact O-N 3.46Å; T406-F409 PolarHBondContact O-N 2.98Å; Q407-F409 PolarHBondContact O-N 3.13Å; F409-N413 WeakPolarHBondContact CD2-ND2 3.46Å; F409-N413 VanDerWaalsContact CE2-ND2 3.31Å; F409-N413 WeakPolarHBondContact CE2-ND2 3.33Å; F409-N413 WeakPolarHBondContact O-CB 3.41Å; F409-N413 PolarHBondContact O-N 3.37Å; F409-N413 VanDerWaalsContact O-N 3.07Å; F409-N413 PolarHBondContact O-ND2 3.49Å; F409-L415 HydrophobicContact CD1-CD1 4.41Å; F409-L415 HydrophobicContact CE1-CD1 3.72Å
410	L	98.9	Very high	98.8	Very high	3 Å²	3	38 Å²	38	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-45.4	179.8	-69.8	170.4	0	0	0	111.7	T406 Q407 H408 N413 K414 L415 I418 K436	T406-L410 HydrophobicContact CG2-CD1 3.8Å; T406-L410 HydrophobicContact CG2-CG 4.46Å; T406-L410 WeakPolarHBondContact O-CB 3.33Å; T406-L410 WeakPolarHBondContact O-CD1 3.47Å; T406-L410 WeakPolarHBondContact O-CG 3.47Å; T406-L410 PolarHBondContact O-N 3.07Å; T406-L410 VanDerWaalsContact O-N 3.08Å; Q407-L410 PolarHBondContact O-N 3.25Å; H408-L410 PolarHBondContact O-N 2.77Å; L410-N413 CarbonylContact O-C 3.42Å; L410-N413 PolarHBondContact O-N 3.06Å; L410-K414 WeakPolarHBondContact O-CA 3.41Å; L410-K414 PolarHBondContact O-N 2.73Å; L410-L415 HydrophobicContact CB-CB 4.4Å; L410-L415 HydrophobicContact CD2-CB 3.39Å; L410-L415 HydrophobicContact CD2-CD1 4.11Å; L410-L415 HydrophobicContact CD2-CG 4.42Å; L410-L415 HydrophobicContact CG-CB 4.49Å; L410-L415 PolarHBondContact O-N 2.88Å; L410-I418 HydrophobicContact CD2-CG2 3.81Å; L410-K436 HydrophobicContact CD1-CB 3.63Å; L410-K436 HydrophobicContact CD1-CD 3.9Å; L410-K436 HydrophobicContact CD1-CG 4Å
411	E	98.6	Very high	98.8	Very high	115 Å²	115	37.2 Å²	37.2	54%	0.537	18%	0.179	S	C	.	.	H	α-helix	trans	-61.9	-45.9	177.4	-74.3	171.3	-172.5	0	0	111.6	Q407 H408 N413 K414	Q407-E411 HydrophobicContact CG-CG 4.42Å; Q407-E411 WeakPolarHBondContact CG-OE1 3.39Å; Q407-E411 PolarHBondContact NE2-OE1 3.03Å; Q407-E411 WeakPolarHBondContact O-CB 3.19Å; Q407-E411 WeakPolarHBondContact O-CG 3.45Å; Q407-E411 PolarHBondContact O-N 2.89Å; H408-E411 PolarHBondContact O-N 2.94Å; E411-N413 VanDerWaalsContact C-N 3.29Å; E411-N413 PolarHBondContact O-N 3.38Å; E411-K414 PolarHBondContact O-N 3.29Å
412	Q	98.5	Very high	98.7	Very high	79 Å²	79	37.6 Å²	37.6	37%	0.369	18%	0.18	S	C	.	.	H	α-helix	trans	-59.3	-40.5	177.9	-177.1	176.7	-79.4	0	0	112	G355 V356 H408	G355-Q412 PolarHBondContact O-NE2 2.9Å; G355-Q412 VanDerWaalsContact O-NE2 3.13Å; V356-Q412 PolarHBondContact O-NE2 3.07Å; V356-Q412 VanDerWaalsContact O-NE2 3.09Å; H408-Q412 WeakPolarHBondContact O-CB 3.4Å; H408-Q412 PolarHBondContact O-N 3.09Å
413	N	98.6	Very high	98.5	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.112	19%	0.185	C	C	.	.	H	α-helix	trans	-97.1	4.4	-175.3	-68.8	-79.2	0	0	0	114	V356 T357 L358 F409 L410 E411 L415	V356-N413 PolarHBondContact O-ND2 3.46Å; T357-N413 VanDerWaalsContact CA-OD1 3.24Å; T357-N413 WeakPolarHBondContact CA-OD1 3.49Å; L358-N413 HydrophobicContact CD1-CB 4.4Å; L358-N413 HydrophobicContact CG-CB 4.13Å; L358-N413 PolarHBondContact N-OD1 3.05Å; F409-N413 WeakPolarHBondContact CD2-ND2 3.46Å; F409-N413 VanDerWaalsContact CE2-ND2 3.31Å; F409-N413 WeakPolarHBondContact CE2-ND2 3.33Å; F409-N413 WeakPolarHBondContact O-CB 3.41Å; F409-N413 PolarHBondContact O-N 3.37Å; F409-N413 VanDerWaalsContact O-N 3.07Å; F409-N413 PolarHBondContact O-ND2 3.49Å; L410-N413 CarbonylContact O-C 3.42Å; L410-N413 PolarHBondContact O-N 3.06Å; E411-N413 VanDerWaalsContact C-N 3.29Å; E411-N413 PolarHBondContact O-N 3.38Å; N413-L415 HydrophobicContact CB-CD1 3.91Å; N413-L415 HydrophobicContact CB-CG 4.07Å; N413-L415 PolarHBondContact O-N 3.44Å
414	K	98.6	Very high	98	Very high	169 Å²	169	39.6 Å²	39.6	74%	0.735	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	32.5	-179.3	-53.4	177.4	-178.4	177	0	114.2	L410 E411	L410-K414 WeakPolarHBondContact O-CA 3.41Å; L410-K414 PolarHBondContact O-N 2.73Å; E411-K414 PolarHBondContact O-N 3.29Å
415	L	98.8	Very high	97.8	Very high	11 Å²	11	38 Å²	38	6%	0.058	18%	0.181	C	C	.	.			trans	-93.8	156.5	177.2	-64.5	168.6	0	0	0	110.8	L344 L358 F409 L410 N413	L344-L415 HydrophobicContact CB-CD1 3.78Å; L344-L415 HydrophobicContact CB-CD2 4.42Å; L344-L415 HydrophobicContact CD2-CD1 4.11Å; L358-L415 HydrophobicContact CD1-CD2 4.44Å; L358-L415 HydrophobicContact CD2-CD1 4.31Å; F409-L415 HydrophobicContact CD1-CD1 4.41Å; F409-L415 HydrophobicContact CE1-CD1 3.72Å; L410-L415 HydrophobicContact CB-CB 4.4Å; L410-L415 HydrophobicContact CD2-CB 3.39Å; L410-L415 HydrophobicContact CD2-CD1 4.11Å; L410-L415 HydrophobicContact CD2-CG 4.42Å; L410-L415 HydrophobicContact CG-CB 4.49Å; L410-L415 PolarHBondContact O-N 2.88Å; N413-L415 HydrophobicContact CB-CD1 3.91Å; N413-L415 HydrophobicContact CB-CG 4.07Å; N413-L415 PolarHBondContact O-N 3.44Å
416	D	98.8	Very high	97.3	Very high	79 Å²	79	41.2 Å²	41.2	42%	0.422	21%	0.208	S	C	.	.	S	Bend	trans	-92.6	-45.3	-179.5	-61.6	-15	0	0	0	111	K342	K342-D416 WeakPolarHBondContact CD-OD2 3.45Å; K342-D416 IonicContact NZ-OD1 2.82Å; K342-D416 PolarHBondContact NZ-OD1 3.28Å; K342-D416 IonicContact NZ-OD2 3.16Å; K342-D416 PolarHBondContact O-N 3.33Å
417	Y	98.9	Very high	97.2	Very high	21 Å²	21	45.4 Å²	45.4	8%	0.082	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	170.8	176.6	63.9	-87.8	0	0	0	112	V343 L344 V419 K436 I438 L459 L464	V343-Y417 HydrophobicContact CB-CE2 4.43Å; V343-Y417 HydrophobicContact CG1-CD2 4.03Å; V343-Y417 HydrophobicContact CG1-CE2 3.52Å; V343-Y417 HydrophobicContact CG2-CD1 4.27Å; V343-Y417 HydrophobicContact CG2-CE1 3.59Å; V343-Y417 HydrophobicContact CG2-CE2 4.04Å; V343-Y417 VanDerWaalsContact CG2-CZ 3.46Å; L344-Y417 PolarHBondContact N-O 3.07Å; Y417-V419 HydrophobicContact CD2-CG2 4.11Å; Y417-V419 HydrophobicContact CE2-CG2 3.62Å; Y417-K436 WeakPolarHBondContact CA-O 3.4Å; Y417-K436 WeakPolarHBondContact CB-O 3.36Å; Y417-I438 HydrophobicContact CD2-CD1 3.62Å; Y417-I438 HydrophobicContact CD2-CG1 4.31Å; Y417-I438 HydrophobicContact CE2-CD1 3.62Å; Y417-I438 HydrophobicContact CG-CD1 4.47Å; Y417-L459 WeakPolarHBondContact OH-CD2 3.07Å; Y417-L464 WeakPolarHBondContact CE1-O 3.48Å; Y417-L464 PolarHBondContact OH-O 3.16Å
418	I	98.9	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.9	171.4	69.9	176.2	0	0	0	112.2	L344 M346 L350 F401 L410 K436 C437 I438	L344-I418 HydrophobicContact CB-CG2 4.23Å; L344-I418 CarbonylContact O-C 3.46Å; L344-I418 WeakPolarHBondContact O-CA 3.28Å; M346-I418 HydrophobicContact CE-CG2 4.48Å; M346-I418 HydrophobicContact SD-CB 4.44Å; M346-I418 HydrophobicContact SD-CD1 4.36Å; L350-I418 HydrophobicContact CD1-CD1 4.08Å; L350-I418 HydrophobicContact CD2-CD1 4.13Å; L350-I418 HydrophobicContact CD2-CG2 4.34Å; L350-I418 HydrophobicContact CG-CD1 3.79Å; F401-I418 HydrophobicContact CE2-CD1 4.28Å; F401-I418 HydrophobicContact CZ-CD1 4.32Å; L410-I418 HydrophobicContact CD2-CG2 3.81Å; I418-K436 PolarHBondContact N-O 3.4Å; I418-C437 HydrophobicContact CD1-CB 4.34Å; I418-C437 HydrophobicContact CG1-CB 4.1Å; I418-I438 PolarHBondContact O-N 2.94Å
419	V	98.9	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.8	165.8	-178.1	0	0	0	0	108.5	I234 V343 L344 V345 M346 Y417 I438 V440 I457	I234-V419 HydrophobicContact CD1-CG2 4.49Å; I234-V419 HydrophobicContact CG2-CG1 4.33Å; V343-V419 HydrophobicContact CG1-CG2 3.88Å; L344-V419 PolarHBondContact O-N 2.9Å; V345-V419 VanDerWaalsContact CA-O 3.28Å; V345-V419 WeakPolarHBondContact CA-O 3.48Å; V345-V419 HydrophobicContact CG1-CB 4.22Å; V345-V419 HydrophobicContact CG1-CG1 4.42Å; V345-V419 HydrophobicContact CG2-CB 4.2Å; M346-V419 PolarHBondContact N-O 2.91Å; Y417-V419 HydrophobicContact CD2-CG2 4.11Å; Y417-V419 HydrophobicContact CE2-CG2 3.62Å; V419-I438 CarbonylContact C-O 3.44Å; V419-I438 WeakPolarHBondContact CA-O 2.93Å; V419-I438 HydrophobicContact CG2-CB 4.41Å; V419-V440 HydrophobicContact CG1-CG1 3.8Å; V419-I457 HydrophobicContact CG1-CD1 3.81Å; V419-I457 HydrophobicContact CG2-CD1 4.44Å
420	R	98.9	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	175.8	177.5	67	77.7	59.6	150.5	21.5	112.2	M346 G348 S382 D383 H422 E423 I438 T439 V440	M346-R420 WeakPolarHBondContact O-CA 3.39Å; M346-R420 WeakPolarHBondContact O-CB 3.37Å; M346-R420 HydrophobicContact SD-CB 4.41Å; G348-R420 WeakPolarHBondContact O-CB 3.38Å; G348-R420 VanDerWaalsContact O-CZ 3.3Å; G348-R420 PolarHBondContact O-NE 3.5Å; G348-R420 PolarHBondContact O-NH2 3.28Å; G348-R420 VanDerWaalsContact O-NH2 3.09Å; S382-R420 PolarHBondContact O-NH2 2.99Å; D383-R420 IonicContact OD1-CZ 3.82Å; D383-R420 IonicContact OD1-NH1 2.7Å; D383-R420 IonicContact OD1-NH2 2.66Å; D383-R420 PolarHBondContact OD1-NH2 3.44Å; R420-H422 PolarHBondContact NH2-CD2 3.23Å; R420-E423 IonicContact CZ-OE2 3.61Å; R420-E423 VanDerWaalsContact NH1-CG 3.3Å; R420-E423 IonicContact NH1-OE2 3.2Å; R420-E423 PolarHBondContact NH1-OE2 3.11Å; R420-I438 PolarHBondContact N-O 2.85Å; R420-T439 VanDerWaalsContact CD-OG1 3.3Å; R420-T439 WeakPolarHBondContact CD-OG1 3.36Å; R420-T439 CarbonylContact O-C 3.54Å; R420-T439 VanDerWaalsContact O-CA 3.27Å; R420-T439 WeakPolarHBondContact O-CA 3.39Å; R420-V440 PolarHBondContact O-N 3.49Å
421	S	98.8	Very high	97.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.			trans	-131.8	-114.3	-176.4	-56.7	0	0	0	0	111.6	G236 D237 N264 H347 E423 T439 V440	G236-S421 WeakPolarHBondContact CA-OG 3.26Å; D237-S421 WeakPolarHBondContact OD1-CB 3.36Å; N264-S421 PolarHBondContact ND2-N 2.84Å; N264-S421 PolarHBondContact ND2-OG 3.24Å; H347-S421 PolarHBondContact O-N 2.97Å; S421-E423 PolarHBondContact O-N 3.21Å; S421-T439 WeakPolarHBondContact O-CG2 3.44Å; S421-V440 VanDerWaalsContact CA-O 3.25Å; S421-V440 WeakPolarHBondContact CA-O 3.48Å; S421-V440 WeakPolarHBondContact CB-O 3.5Å; S421-V440 PolarHBondContact OG-O 2.85Å
422	H	97.8	Very high	97.1	Very high	8 Å²	8	43 Å²	43	4%	0.037	22%	0.221	C	C	.	.	S	Bend	trans	61.3	-17.8	162.2	-168.9	56.9	0	0	0	118.8	D237 N298 H347 W381 D383 R395 R420	D237-H422 PolarHBondContact OD1-N 3.04Å; D237-H422 WeakPolarHBondContact OD2-CA 3.37Å; D237-H422 PolarHBondContact OD2-N 3.41Å; N298-H422 PolarHBondContact OD1-CE1 3.01Å; N298-H422 PolarHBondContact OD1-ND1 3.35Å; H347-H422 AromaticContact CD2-CG 3.96Å; H347-H422 AromaticContact CD2-ND1 3.67Å; H347-H422 VanDerWaalsContact NE2-CB 3.34Å; H347-H422 WeakPolarHBondContact NE2-CB 3.13Å; H347-H422 AromaticContact NE2-CG 3.5Å; H347-H422 AromaticContact NE2-ND1 3.02Å; H347-H422 PolarHBondContact NE2-ND1 2.88Å; H347-H422 WeakPolarHBondContact O-CB 3.46Å; W381-H422 AromaticContact CE3-CE1 3.98Å; W381-H422 PolarHBondContact O-NE2 3.15Å; D383-H422 IonicContact OD1-CD2 3.5Å; D383-H422 PolarHBondContact OD1-CD2 2.74Å; D383-H422 VanDerWaalsContact OD1-CD2 3.24Å; D383-H422 IonicContact OD1-NE2 3.42Å; R395-H422 VanDerWaalsContact CD-NE2 3.25Å; R395-H422 WeakPolarHBondContact CD-NE2 3.49Å; R395-H422 VanDerWaalsContact CZ-CD2 3.44Å; R395-H422 PolarHBondContact NE-NE2 3.27Å; R395-H422 PolarHBondContact NH2-CD2 3.35Å; R395-H422 PolarHBondContact NH2-NE2 2.83Å; R395-H422 PolarHBondContact NH2-O 2.79Å; R420-H422 PolarHBondContact NH2-CD2 3.23Å
423	E	93.2	Very high	97.2	Very high	19 Å²	19	40 Å²	40	9%	0.089	21%	0.207	C	C	.	.	S	Bend	trans	-125.5	125.1	176.6	-74.5	-178.7	112.9	0	0	110.2	D383 K394 R420 S421 K425 T439	D383-E423 VanDerWaalsContact OD1-CG 3.31Å; D383-E423 WeakPolarHBondContact OD1-CG 3.5Å; K394-E423 IonicContact NZ-OE1 3.48Å; K394-E423 PolarHBondContact NZ-OE1 2.81Å; R420-E423 IonicContact CZ-OE2 3.61Å; R420-E423 VanDerWaalsContact NH1-CG 3.3Å; R420-E423 IonicContact NH1-OE2 3.2Å; R420-E423 PolarHBondContact NH1-OE2 3.11Å; S421-E423 PolarHBondContact O-N 3.21Å; E423-K425 PolarHBondContact O-N 3.3Å; E423-K425 IonicContact OE2-NZ 3.88Å; E423-T439 HydrophobicContact CB-CG2 4.49Å
424	V	89.3	Confident	97.1	Very high	52 Å²	52	44.9 Å²	44.9	32%	0.315	24%	0.243	S	C	.	.			trans	-57.8	134.9	168.4	64.9	0	0	0	0	110.2	F441 M450 N452	V424-F441 HydrophobicContact CB-CD1 4.42Å; V424-F441 HydrophobicContact CB-CE1 4.04Å; V424-F441 HydrophobicContact CB-CE2 4.37Å; V424-F441 HydrophobicContact CB-CZ 4.03Å; V424-F441 HydrophobicContact CG2-CD1 4.16Å; V424-F441 HydrophobicContact CG2-CE1 3.81Å; V424-F441 HydrophobicContact CG2-CZ 4.27Å; V424-M450 HydrophobicContact CG1-CE 4.15Å; V424-N452 HydrophobicContact CG2-CB 4.09Å
425	K	93	Very high	97.1	Very high	27 Å²	27	38.5 Å²	38.5	12%	0.117	23%	0.225	C	C	.	.			trans	-126.7	137	174.5	-58.5	-61.8	172.6	176.2	0	108.8	E423 E427 G428 E430 T439 N452	E423-K425 PolarHBondContact O-N 3.3Å; E423-K425 IonicContact OE2-NZ 3.88Å; K425-E427 PolarHBondContact O-N 2.61Å; K425-G428 PolarHBondContact O-N 2.77Å; K425-E430 HydrophobicContact CD-CB 3.77Å; K425-E430 WeakPolarHBondContact CE-OE2 3.36Å; K425-E430 HydrophobicContact CG-CB 3.97Å; K425-E430 IonicContact NZ-OE2 3.35Å; K425-E430 PolarHBondContact NZ-OE2 2.83Å; K425-T439 HydrophobicContact CD-CG2 4.36Å; K425-T439 HydrophobicContact CG-CG2 3.81Å; K425-N452 WeakPolarHBondContact O-CB 3.46Å
426	A	88.9	Confident	97.1	Very high	74 Å²	74	40.7 Å²	40.7	61%	0.612	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-41	-177.7	0	0	0	0	0	112.4	G428 N452 K453	A426-G428 VanDerWaalsContact C-N 3.34Å; A426-N452 WeakPolarHBondContact O-CA 3.36Å; A426-K453 PolarHBondContact O-N 2.74Å
427	E	97.8	Very high	97.1	Very high	87 Å²	87	37 Å²	37	41%	0.407	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9.1	179.3	-67.6	-56.1	125.4	0	0	113.4	K425 Y429 K453 Q470	K425-E427 PolarHBondContact O-N 2.61Å; E427-Y429 WeakPolarHBondContact O-CD1 3.25Å; E427-Y429 PolarHBondContact O-N 2.84Å; E427-K453 IonicContact OE1-NZ 2.74Å; E427-K453 IonicContact OE2-NZ 2.69Å; E427-K453 PolarHBondContact OE2-NZ 3.42Å; E427-Q470 PolarHBondContact O-NE2 3.42Å; E427-Q470 PolarHBondContact OE2-NE2 3.02Å
428	G	97.8	Very high	97.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	75.5	-10.1	-176.8	0	0	0	0	0	114.6	K425 A426 F441 K453 A455	K425-G428 PolarHBondContact O-N 2.77Å; A426-G428 VanDerWaalsContact C-N 3.34Å; G428-F441 PolarHBondContact O-N 3.37Å; G428-K453 VanDerWaalsContact CA-O 3.23Å; G428-K453 WeakPolarHBondContact CA-O 3.47Å; G428-K453 PolarHBondContact N-O 2.98Å; G428-A455 WeakPolarHBondContact O-CB 3.49Å
429	Y	98.8	Very high	97.1	Very high	74 Å²	74	36.1 Å²	36.1	29%	0.29	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	164.8	173.9	74.5	-82.4	0	0	0	111.6	E427 V431 T439 A455 F468 Q470	E427-Y429 WeakPolarHBondContact O-CD1 3.25Å; E427-Y429 PolarHBondContact O-N 2.84Å; Y429-V431 HydrophobicContact CD2-CG2 4.39Å; Y429-V431 HydrophobicContact CE2-CG2 4.45Å; Y429-T439 CarbonylContact C-O 3.46Å; Y429-T439 WeakPolarHBondContact CA-O 3.26Å; Y429-T439 VanDerWaalsContact CB-O 3.23Å; Y429-T439 WeakPolarHBondContact CB-O 3.44Å; Y429-A455 HydrophobicContact CD1-CB 4.13Å; Y429-F468 HydrophobicContact CD1-CB 4.08Å; Y429-F468 HydrophobicContact CD1-CD1 4.1Å; Y429-F468 HydrophobicContact CD1-CG 4.18Å; Y429-F468 HydrophobicContact CD2-CB 4.43Å; Y429-F468 AromaticContact CD2-CD1 3.42Å; Y429-F468 HydrophobicContact CD2-CD1 3.42Å; Y429-F468 VanDerWaalsContact CD2-CD1 3.42Å; Y429-F468 HydrophobicContact CD2-CD2 4Å; Y429-F468 AromaticContact CD2-CE1 3.5Å; Y429-F468 HydrophobicContact CD2-CE1 3.5Å; Y429-F468 VanDerWaalsContact CD2-CE1 3.5Å; Y429-F468 HydrophobicContact CD2-CE2 4.08Å; Y429-F468 AromaticContact CD2-CG 3.69Å; Y429-F468 HydrophobicContact CD2-CG 3.69Å; Y429-F468 AromaticContact CD2-CZ 3.84Å; Y429-F468 HydrophobicContact CD2-CZ 3.84Å; Y429-F468 HydrophobicContact CE1-CB 3.93Å; Y429-F468 HydrophobicContact CE1-CG 4.19Å; Y429-F468 HydrophobicContact CE2-CB 4.29Å; Y429-F468 AromaticContact CE2-CD1 3.94Å; Y429-F468 HydrophobicContact CE2-CD1 3.94Å; Y429-F468 AromaticContact CE2-CD2 3.67Å; Y429-F468 HydrophobicContact CE2-CD2 3.67Å; Y429-F468 HydrophobicContact CE2-CE1 4.16Å; Y429-F468 AromaticContact CE2-CE2 3.91Å; Y429-F468 HydrophobicContact CE2-CE2 3.91Å; Y429-F468 AromaticContact CE2-CG 3.69Å; Y429-F468 HydrophobicContact CE2-CG 3.69Å; Y429-F468 HydrophobicContact CE2-CZ 4.15Å; Y429-F468 HydrophobicContact CG-CB 4.34Å; Y429-F468 AromaticContact CG-CD1 3.51Å; Y429-F468 HydrophobicContact CG-CD1 3.51Å; Y429-F468 AromaticContact CG-CE1 3.93Å; Y429-F468 HydrophobicContact CG-CE1 3.93Å; Y429-F468 AromaticContact CG-CG 3.94Å; Y429-F468 HydrophobicContact CG-CG 3.94Å; Y429-F468 AromaticContact CZ-CG 3.95Å; Y429-Q470 HydrophobicContact CD1-CG 4.34Å; Y429-Q470 HydrophobicContact CE1-CG 4.04Å
430	E	98.6	Very high	97.1	Very high	82 Å²	82	36.1 Å²	36.1	38%	0.383	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	141.1	171.8	-173	178.6	-122.3	0	0	110.5	K425 T432 I438 T439	K425-E430 HydrophobicContact CD-CB 3.77Å; K425-E430 WeakPolarHBondContact CE-OE2 3.36Å; K425-E430 HydrophobicContact CG-CB 3.97Å; K425-E430 IonicContact NZ-OE2 3.35Å; K425-E430 PolarHBondContact NZ-OE2 2.83Å; E430-T432 HydrophobicContact CG-CG2 3.78Å; E430-I438 WeakPolarHBondContact O-CA 3.33Å; E430-T439 PolarHBondContact N-O 3.27Å; E430-T439 PolarHBondContact O-N 2.97Å
431	V	98.8	Very high	97.1	Very high	71 Å²	71	36.2 Å²	36.2	43%	0.43	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.2	176.1	-177.6	0	0	0	0	108.8	Y429 I438 F468	Y429-V431 HydrophobicContact CD2-CG2 4.39Å; Y429-V431 HydrophobicContact CE2-CG2 4.45Å; V431-I438 HydrophobicContact CG1-CG1 4.47Å; V431-I438 HydrophobicContact CG2-CG1 4.44Å; V431-F468 HydrophobicContact CG2-CE2 4Å; V431-F468 HydrophobicContact CG2-CZ 3.66Å
432	T	98.4	Very high	97.1	Very high	30 Å²	30	36.2 Å²	36.2	18%	0.184	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	179.4	-178.3	67.1	0	0	0	0	111.2	E430 S434 G435 K436 C437	E430-T432 HydrophobicContact CG-CG2 3.78Å; T432-S434 VanDerWaalsContact C-N 3.28Å; T432-S434 PolarHBondContact O-N 3.41Å; T432-G435 PolarHBondContact O-N 3.01Å; T432-K436 PolarHBondContact O-N 2.82Å; T432-C437 PolarHBondContact N-O 3.32Å; T432-C437 PolarHBondContact O-N 3.33Å; T432-C437 PolarHBondContact OG1-O 2.65Å
433	H	98.6	Very high	97.1	Very high	15 Å²	15	35.9 Å²	35.9	7%	0.069	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	51.6	45.6	177.4	-57.3	177.1	0	0	0	112.9	P384 Q385 F401 G402 P403 T406 G435 K436 C437	P384-H433 VanDerWaalsContact CB-CE1 3.5Å; P384-H433 WeakPolarHBondContact CB-CE1 3.4Å; Q385-H433 PolarHBondContact O-NE2 3.01Å; F401-H433 AromaticContact CD2-CE1 3.91Å; F401-H433 AromaticContact CE2-CE1 3.88Å; F401-H433 PolarHBondContact O-CE1 2.92Å; F401-H433 VanDerWaalsContact O-CE1 3.25Å; G402-H433 PolarHBondContact O-CE1 2.76Å; P403-H433 HydrophobicContact CB-CB 4Å; T406-H433 HydrophobicContact CG2-CB 4.42Å; T406-H433 PolarHBondContact OG1-CE1 3.06Å; T406-H433 PolarHBondContact OG1-ND1 3.43Å; H433-G435 VanDerWaalsContact C-N 3.28Å; H433-G435 PolarHBondContact O-N 3.17Å; H433-K436 HydrophobicContact CB-CB 4.46Å; H433-K436 VanDerWaalsContact O-CB 3.32Å; H433-K436 WeakPolarHBondContact O-CB 3.12Å; H433-K436 PolarHBondContact O-N 3.36Å; H433-K436 VanDerWaalsContact O-N 3.17Å; H433-C437 HydrophobicContact CB-CB 4Å
434	S	97.6	Very high	97.3	Very high	124 Å²	124	35 Å²	35	87%	0.867	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	57.4	37.8	179.9	-52.4	0	0	0	0	113.8	T432	T432-S434 VanDerWaalsContact C-N 3.28Å; T432-S434 PolarHBondContact O-N 3.41Å
435	G	97.9	Very high	97.7	Very high	35 Å²	35	34.9 Å²	34.9	36%	0.361	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	90.6	-0.5	179	0	0	0	0	0	114.8	T432 H433	T432-G435 PolarHBondContact O-N 3.01Å; H433-G435 VanDerWaalsContact C-N 3.28Å; H433-G435 PolarHBondContact O-N 3.17Å
436	K	98.8	Very high	97.6	Very high	57 Å²	57	34.7 Å²	34.7	25%	0.248	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-14.3	-173.5	-66.5	-175.8	174.1	-174.3	0	114.5	T406 L410 Y417 I418 T432 H433	T406-K436 HydrophobicContact CG2-CB 3.87Å; L410-K436 HydrophobicContact CD1-CB 3.63Å; L410-K436 HydrophobicContact CD1-CD 3.9Å; L410-K436 HydrophobicContact CD1-CG 4Å; Y417-K436 WeakPolarHBondContact CA-O 3.4Å; Y417-K436 WeakPolarHBondContact CB-O 3.36Å; I418-K436 PolarHBondContact N-O 3.4Å; T432-K436 PolarHBondContact O-N 2.82Å; H433-K436 HydrophobicContact CB-CB 4.46Å; H433-K436 VanDerWaalsContact O-CB 3.32Å; H433-K436 WeakPolarHBondContact O-CB 3.12Å; H433-K436 PolarHBondContact O-N 3.36Å; H433-K436 VanDerWaalsContact O-N 3.17Å
437	C	98.9	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	118.2	176.1	-177	0	0	0	0	109.4	T406 I418 T432 H433	T406-C437 HydrophobicContact CG2-CB 4.3Å; I418-C437 HydrophobicContact CD1-CB 4.34Å; I418-C437 HydrophobicContact CG1-CB 4.1Å; T432-C437 PolarHBondContact N-O 3.32Å; T432-C437 PolarHBondContact O-N 3.33Å; T432-C437 PolarHBondContact OG1-O 2.65Å; H433-C437 HydrophobicContact CB-CB 4Å
438	I	98.9	Very high	97.3	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.3	-176.3	-61	176.1	0	0	0	108.7	Y417 I418 V419 R420 E430 V431 I457 P466 F468	Y417-I438 HydrophobicContact CD2-CD1 3.62Å; Y417-I438 HydrophobicContact CD2-CG1 4.31Å; Y417-I438 HydrophobicContact CE2-CD1 3.62Å; Y417-I438 HydrophobicContact CG-CD1 4.47Å; I418-I438 PolarHBondContact O-N 2.94Å; V419-I438 CarbonylContact C-O 3.44Å; V419-I438 WeakPolarHBondContact CA-O 2.93Å; V419-I438 HydrophobicContact CG2-CB 4.41Å; R420-I438 PolarHBondContact N-O 2.85Å; E430-I438 WeakPolarHBondContact O-CA 3.33Å; V431-I438 HydrophobicContact CG1-CG1 4.47Å; V431-I438 HydrophobicContact CG2-CG1 4.44Å; I438-I457 HydrophobicContact CG2-CD1 3.91Å; I438-P466 HydrophobicContact CD1-CB 3.94Å; I438-P466 HydrophobicContact CD1-CG 3.56Å; I438-F468 HydrophobicContact CD1-CZ 4.33Å; I438-F468 HydrophobicContact CG2-CE1 3.6Å; I438-F468 HydrophobicContact CG2-CZ 3.8Å
439	T	98.9	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.8	169.5	-57.1	0	0	0	0	109.7	R420 S421 E423 K425 Y429 E430	R420-T439 VanDerWaalsContact CD-OG1 3.3Å; R420-T439 WeakPolarHBondContact CD-OG1 3.36Å; R420-T439 CarbonylContact O-C 3.54Å; R420-T439 VanDerWaalsContact O-CA 3.27Å; R420-T439 WeakPolarHBondContact O-CA 3.39Å; S421-T439 WeakPolarHBondContact O-CG2 3.44Å; E423-T439 HydrophobicContact CB-CG2 4.49Å; K425-T439 HydrophobicContact CD-CG2 4.36Å; K425-T439 HydrophobicContact CG-CG2 3.81Å; Y429-T439 CarbonylContact C-O 3.46Å; Y429-T439 WeakPolarHBondContact CA-O 3.26Å; Y429-T439 VanDerWaalsContact CB-O 3.23Å; Y429-T439 WeakPolarHBondContact CB-O 3.44Å; E430-T439 PolarHBondContact N-O 3.27Å; E430-T439 PolarHBondContact O-N 2.97Å
440	V	98.9	Very high	95.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.2	169.9	61.9	0	0	0	0	109.9	I234 V419 R420 S421 A455 I457	I234-V440 HydrophobicContact CG2-CG1 4.43Å; V419-V440 HydrophobicContact CG1-CG1 3.8Å; R420-V440 PolarHBondContact O-N 3.49Å; S421-V440 VanDerWaalsContact CA-O 3.25Å; S421-V440 WeakPolarHBondContact CA-O 3.48Å; S421-V440 WeakPolarHBondContact CB-O 3.5Å; S421-V440 PolarHBondContact OG-O 2.85Å; V440-A455 HydrophobicContact CG2-CB 4.46Å; V440-A455 WeakPolarHBondContact CG2-O 3.35Å; V440-I457 HydrophobicContact CB-CD1 3.78Å; V440-I457 HydrophobicContact CB-CG1 4.23Å; V440-I457 HydrophobicContact CG1-CD1 4.01Å; V440-I457 HydrophobicContact CG2-CD1 4.18Å; V440-I457 HydrophobicContact CG2-CG1 4.07Å
441	F	98.8	Very high	95	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	23%	0.23	C	C	.	.			trans	-136.9	124.9	-175.3	-169	-99.3	0	0	0	109.8	D237 V424 G428 A443 Y446 G454 A455	D237-F441 HydrophobicContact CB-CD2 3.76Å; D237-F441 HydrophobicContact CB-CE2 3.5Å; D237-F441 HydrophobicContact CB-CZ 4.27Å; D237-F441 VanDerWaalsContact OD2-CE2 3.3Å; D237-F441 WeakPolarHBondContact OD2-CE2 3.42Å; V424-F441 HydrophobicContact CB-CD1 4.42Å; V424-F441 HydrophobicContact CB-CE1 4.04Å; V424-F441 HydrophobicContact CB-CE2 4.37Å; V424-F441 HydrophobicContact CB-CZ 4.03Å; V424-F441 HydrophobicContact CG2-CD1 4.16Å; V424-F441 HydrophobicContact CG2-CE1 3.81Å; V424-F441 HydrophobicContact CG2-CZ 4.27Å; G428-F441 PolarHBondContact O-N 3.37Å; F441-A443 HydrophobicContact CD1-CB 4.34Å; F441-A443 HydrophobicContact CE1-CB 3.65Å; F441-A443 WeakPolarHBondContact CE1-O 3.19Å; F441-A443 HydrophobicContact CZ-CB 3.94Å; F441-Y446 HydrophobicContact CE1-CD2 4.32Å; F441-Y446 HydrophobicContact CE1-CG 4.22Å; F441-Y446 HydrophobicContact CZ-CD1 4.44Å; F441-Y446 AromaticContact CZ-CD2 3.92Å; F441-Y446 HydrophobicContact CZ-CD2 3.92Å; F441-Y446 HydrophobicContact CZ-CE2 4.23Å; F441-Y446 HydrophobicContact CZ-CG 4.01Å; F441-G454 CarbonylContact O-C 3.17Å; F441-G454 WeakPolarHBondContact O-CA 3.07Å; F441-A455 PolarHBondContact O-N 2.92Å
442	S	98.9	Very high	94.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	21%	0.212	C	C	.	.			trans	-113	15.2	-167.8	-57.4	0	0	0	0	113.9	C235 G236 D237 P444 A455 F471	C235-S442 WeakPolarHBondContact CA-OG 3.26Å; G236-S442 PolarHBondContact N-OG 3.31Å; D237-S442 CarbonylContact O-C 3.58Å; D237-S442 VanDerWaalsContact O-CA 3.26Å; D237-S442 WeakPolarHBondContact O-CA 3.47Å; D237-S442 WeakPolarHBondContact O-CB 3.22Å; D237-S442 PolarHBondContact O-N 2.84Å; S442-P444 WeakPolarHBondContact O-CD 3.27Å; S442-A455 PolarHBondContact OG-O 2.84Å; S442-F471 WeakPolarHBondContact O-CZ 3.44Å
443	A	98.5	Very high	94.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.218	C	C	.	.			trans	-105.3	88.6	172.9	0	0	0	0	0	110.1	D237 F441 Y446 N452	D237-A443 PolarHBondContact O-N 3.01Å; F441-A443 HydrophobicContact CD1-CB 4.34Å; F441-A443 HydrophobicContact CE1-CB 3.65Å; F441-A443 WeakPolarHBondContact CE1-O 3.19Å; F441-A443 HydrophobicContact CZ-CB 3.94Å; A443-Y446 HydrophobicContact CB-CD2 4.04Å; A443-N452 PolarHBondContact O-ND2 3.33Å
444	P	98.4	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	151.9	177.6	32.2	-38.7	0	0	0	111	Q241 D244 S442 Y446 F471 A473	Q241-P444 PolarHBondContact NE2-O 2.87Å; D244-P444 HydrophobicContact CB-CG 3.98Å; S442-P444 WeakPolarHBondContact O-CD 3.27Å; P444-Y446 PolarHBondContact O-N 3.32Å; P444-F471 HydrophobicContact CB-CE2 4.38Å; P444-F471 HydrophobicContact CG-CD2 4.07Å; P444-F471 HydrophobicContact CG-CE2 3.63Å; P444-F471 HydrophobicContact CG-CZ 4.49Å; P444-A473 HydrophobicContact CB-CB 3.89Å; P444-A473 VanDerWaalsContact CB-N 3.34Å; P444-A473 HydrophobicContact CG-CB 3.88Å
445	N	96.3	Very high	94.8	Very high	50 Å²	50	30.6 Å²	30.6	27%	0.267	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	51	-175.1	-171.4	34.2	0	0	0	112.4	C447 D448 Q449 G451 N452 A473	N445-C447 PolarHBondContact O-N 2.97Å; N445-D448 WeakPolarHBondContact O-CA 3.3Å; N445-D448 PolarHBondContact O-N 3.4Å; N445-Q449 PolarHBondContact OD1-N 2.98Å; N445-G451 WeakPolarHBondContact OD1-CA 3.14Å; N445-G451 PolarHBondContact OD1-N 2.94Å; N445-N452 PolarHBondContact N-O 3.28Å; N445-A473 HydrophobicContact CB-CB 3.55Å
446	Y	92	Very high	94.9	Very high	23 Å²	23	29.6 Å²	29.6	9%	0.09	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-49.9	131.2	-169.6	-179.9	-123.9	0	0	0	112.3	H239 R270 F441 A443 P444 D448 Q449 M450 N452	H239-Y446 HydrophobicContact CB-CE2 3.82Å; H239-Y446 AromaticContact CD2-CE2 3.25Å; H239-Y446 WeakPolarHBondContact CD2-CE2 3.03Å; H239-Y446 AromaticContact CD2-CZ 3.7Å; H239-Y446 PolarHBondContact CD2-OH 3.34Å; H239-Y446 AromaticContact CG-CE2 3.72Å; H239-Y446 AromaticContact NE2-CE2 3.97Å; H239-Y446 AromaticContact NE2-CZ 3.93Å; H239-Y446 PolarHBondContact NE2-OH 2.93Å; R270-Y446 HydrophobicContact CB-CE2 4.34Å; R270-Y446 WeakPolarHBondContact CG-OH 3.12Å; F441-Y446 HydrophobicContact CE1-CD2 4.32Å; F441-Y446 HydrophobicContact CE1-CG 4.22Å; F441-Y446 HydrophobicContact CZ-CD1 4.44Å; F441-Y446 AromaticContact CZ-CD2 3.92Å; F441-Y446 HydrophobicContact CZ-CD2 3.92Å; F441-Y446 HydrophobicContact CZ-CE2 4.23Å; F441-Y446 HydrophobicContact CZ-CG 4.01Å; A443-Y446 HydrophobicContact CB-CD2 4.04Å; P444-Y446 PolarHBondContact O-N 3.32Å; Y446-D448 PolarHBondContact O-N 2.95Å; Y446-Q449 PolarHBondContact O-N 3.01Å; Y446-M450 HydrophobicContact CD1-CG 4.02Å; Y446-M450 HydrophobicContact CG-CG 4.48Å; Y446-M450 VanDerWaalsContact O-CG 3.31Å; Y446-M450 WeakPolarHBondContact O-CG 3.42Å; Y446-M450 PolarHBondContact O-N 3.48Å; Y446-M450 VanDerWaalsContact O-N 3.15Å; Y446-N452 WeakPolarHBondContact CB-OD1 3.5Å; Y446-N452 PolarHBondContact N-OD1 3.45Å
447	C	88.1	Confident	94.9	Very high	17 Å²	17	26.9 Å²	26.9	12%	0.115	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	53.6	30.9	-176.6	-62.3	0	0	0	0	114.4	N445 Q449 P481	N445-C447 PolarHBondContact O-N 2.97Å; C447-Q449 WeakPolarHBondContact O-CG 3.44Å; C447-Q449 PolarHBondContact O-N 3.48Å; C447-Q449 VanDerWaalsContact O-N 3.1Å; C447-P481 HydrophobicContact CB-CB 4.3Å; C447-P481 HydrophobicContact CB-CG 4.46Å
448	D	91.3	Very high	94.9	Very high	61 Å²	61	27.3 Å²	27.3	33%	0.326	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	58.3	18.1	-179.7	-54	-20	0	0	0	114.8	N445 Y446 H476 P481	N445-D448 WeakPolarHBondContact O-CA 3.3Å; N445-D448 PolarHBondContact O-N 3.4Å; Y446-D448 PolarHBondContact O-N 2.95Å; D448-H476 IonicContact OD1-CE1 2.65Å; D448-H476 IonicContact OD1-NE2 2.71Å; D448-H476 PolarHBondContact OD1-NE2 2.95Å; D448-H476 VanDerWaalsContact OD1-NE2 3.12Å; D448-H476 IonicContact OD2-CE1 3.23Å; D448-H476 PolarHBondContact OD2-CE1 3.21Å; D448-H476 IonicContact OD2-NE2 2.91Å; D448-H476 PolarHBondContact OD2-NE2 3.4Å; D448-P481 HydrophobicContact CB-CG 4.12Å; D448-P481 WeakPolarHBondContact OD2-CD 3.41Å; D448-P481 VanDerWaalsContact OD2-CG 3.29Å; D448-P481 WeakPolarHBondContact OD2-CG 3.38Å
449	Q	80.1	Confident	94.8	Very high	138 Å²	138	27.2 Å²	27.2	65%	0.645	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.7	-31.4	-168.9	-71	175.8	39.7	0	0	114.1	N445 Y446 C447	N445-Q449 PolarHBondContact OD1-N 2.98Å; Y446-Q449 PolarHBondContact O-N 3.01Å; C447-Q449 WeakPolarHBondContact O-CG 3.44Å; C447-Q449 PolarHBondContact O-N 3.48Å; C447-Q449 VanDerWaalsContact O-N 3.1Å
450	M	79.6	Confident	94.8	Very high	113 Å²	113	31.7 Å²	31.7	56%	0.557	17%	0.165	S	C	*	.	S	Bend	trans	-77.7	-23.5	-170.2	-65.1	-59.1	-72.7	0	0	113.6	V424 Y446 N452	V424-M450 HydrophobicContact CG1-CE 4.15Å; Y446-M450 HydrophobicContact CD1-CG 4.02Å; Y446-M450 HydrophobicContact CG-CG 4.48Å; Y446-M450 VanDerWaalsContact O-CG 3.31Å; Y446-M450 WeakPolarHBondContact O-CG 3.42Å; Y446-M450 PolarHBondContact O-N 3.48Å; Y446-M450 VanDerWaalsContact O-N 3.15Å; M450-N452 WeakPolarHBondContact CB-OD1 3.44Å; M450-N452 PolarHBondContact O-N 3.46Å; M450-N452 VanDerWaalsContact O-N 3.1Å
451	G	87.4	Confident	94.6	Very high	61 Å²	61	32.3 Å²	32.3	63%	0.629	17%	0.172	S	C	*	.			trans	65.5	8.3	179.7	0	0	0	0	0	115.6	N445	N445-G451 WeakPolarHBondContact OD1-CA 3.14Å; N445-G451 PolarHBondContact OD1-N 2.94Å
452	N	93.5	Very high	94.4	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.064	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-68	156.1	177.8	64.4	-74	0	0	0	112.2	V424 K425 A426 A443 N445 Y446 M450	V424-N452 HydrophobicContact CG2-CB 4.09Å; K425-N452 WeakPolarHBondContact O-CB 3.46Å; A426-N452 WeakPolarHBondContact O-CA 3.36Å; A443-N452 PolarHBondContact O-ND2 3.33Å; N445-N452 PolarHBondContact N-O 3.28Å; Y446-N452 WeakPolarHBondContact CB-OD1 3.5Å; Y446-N452 PolarHBondContact N-OD1 3.45Å; M450-N452 WeakPolarHBondContact CB-OD1 3.44Å; M450-N452 PolarHBondContact O-N 3.46Å; M450-N452 VanDerWaalsContact O-N 3.1Å
453	K	98.4	Very high	94.2	Very high	69 Å²	69	39.2 Å²	39.2	30%	0.3	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-75.4	160.1	162.6	-63	176.3	-173.9	165	0	110.3	A426 E427 G428 Q470 T472	A426-K453 PolarHBondContact O-N 2.74Å; E427-K453 IonicContact OE1-NZ 2.74Å; E427-K453 IonicContact OE2-NZ 2.69Å; E427-K453 PolarHBondContact OE2-NZ 3.42Å; G428-K453 VanDerWaalsContact CA-O 3.23Å; G428-K453 WeakPolarHBondContact CA-O 3.47Å; G428-K453 PolarHBondContact N-O 2.98Å; K453-Q470 HydrophobicContact CD-CB 4.34Å; K453-T472 HydrophobicContact CG-CG2 4.47Å
454	G	98.8	Very high	94.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	157.6	162.8	0	0	0	0	0	109.5	F441 Q470 F471	F441-G454 CarbonylContact O-C 3.17Å; F441-G454 WeakPolarHBondContact O-CA 3.07Å; G454-Q470 CarbonylContact O-C 3.08Å; G454-Q470 WeakPolarHBondContact O-CA 3.29Å; G454-F471 VanDerWaalsContact C-CE1 3.4Å; G454-F471 PolarHBondContact N-O 3.43Å; G454-F471 WeakPolarHBondContact O-CD1 3.44Å; G454-F471 PolarHBondContact O-N 3.25Å
455	A	98.9	Very high	94.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.4	169.3	0	0	0	0	0	112.1	G428 Y429 V440 F441 S442 H469	G428-A455 WeakPolarHBondContact O-CB 3.49Å; Y429-A455 HydrophobicContact CD1-CB 4.13Å; V440-A455 HydrophobicContact CG2-CB 4.46Å; V440-A455 WeakPolarHBondContact CG2-O 3.35Å; F441-A455 PolarHBondContact O-N 2.92Å; S442-A455 PolarHBondContact OG-O 2.84Å; A455-H469 CarbonylContact C-O 3.58Å; A455-H469 WeakPolarHBondContact CA-O 3.45Å; A455-H469 WeakPolarHBondContact CB-O 3.36Å
456	Y	98.9	Very high	94.3	Very high	15 Å²	15	46 Å²	46	6%	0.059	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.6	163.3	55.1	-95.7	0	0	0	109.5	T233 I234 I248 N252 H458 H469 F471	T233-Y456 HydrophobicContact CG2-CD2 3.75Å; T233-Y456 HydrophobicContact CG2-CG 4.12Å; I234-Y456 CarbonylContact O-C 3.6Å; I234-Y456 WeakPolarHBondContact O-CA 3.28Å; I234-Y456 WeakPolarHBondContact O-CB 3.41Å; I248-Y456 HydrophobicContact CG2-CD1 4.37Å; N252-Y456 HydrophobicContact CB-CE1 4.43Å; N252-Y456 HydrophobicContact CB-CE2 4Å; Y456-H458 AromaticContact CD2-CE1 3.89Å; Y456-H458 AromaticContact CE2-CE1 3.67Å; Y456-H469 HydrophobicContact CD1-CB 4.48Å; Y456-H469 HydrophobicContact CD2-CB 3.73Å; Y456-H469 HydrophobicContact CE1-CB 4.1Å; Y456-H469 HydrophobicContact CE2-CB 3.29Å; Y456-H469 AromaticContact CE2-CD2 3.93Å; Y456-H469 AromaticContact CE2-CG 3.61Å; Y456-H469 HydrophobicContact CG-CB 4.31Å; Y456-H469 VanDerWaalsContact CZ-CB 3.48Å; Y456-H469 PolarHBondContact N-O 3.4Å; Y456-H469 PolarHBondContact O-N 3.03Å; Y456-F471 AromaticContact CD1-CD1 3.84Å; Y456-F471 HydrophobicContact CD1-CD1 3.84Å; Y456-F471 AromaticContact CD1-CE1 3.85Å; Y456-F471 HydrophobicContact CD1-CE1 3.85Å; Y456-F471 AromaticContact CE1-CD1 4Å; Y456-F471 HydrophobicContact CE1-CD1 4Å; Y456-F471 HydrophobicContact CE1-CE1 4.42Å
457	I	98.9	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.3	-178.9	-64.6	166.4	0	0	0	109.6	T233 I234 V419 I438 V440 L459 P466 E467 F468	T233-I457 CarbonylContact C-O 3.59Å; T233-I457 VanDerWaalsContact CA-O 3.26Å; T233-I457 WeakPolarHBondContact CA-O 3.28Å; I234-I457 HydrophobicContact CB-CB 4.28Å; I234-I457 PolarHBondContact N-O 3.38Å; I234-I457 PolarHBondContact O-N 3.47Å; V419-I457 HydrophobicContact CG1-CD1 3.81Å; V419-I457 HydrophobicContact CG2-CD1 4.44Å; I438-I457 HydrophobicContact CG2-CD1 3.91Å; V440-I457 HydrophobicContact CB-CD1 3.78Å; V440-I457 HydrophobicContact CB-CG1 4.23Å; V440-I457 HydrophobicContact CG1-CD1 4.01Å; V440-I457 HydrophobicContact CG2-CD1 4.18Å; V440-I457 HydrophobicContact CG2-CG1 4.07Å; I457-L459 HydrophobicContact CG2-CD2 3.84Å; I457-L459 HydrophobicContact CG2-CG 4.13Å; I457-P466 HydrophobicContact CG2-CB 3.86Å; I457-E467 CarbonylContact C-O 3.5Å; I457-E467 WeakPolarHBondContact CA-O 3.41Å; I457-F468 HydrophobicContact CD1-CD1 4.26Å; I457-F468 HydrophobicContact CD1-CE1 3.85Å; I457-F468 HydrophobicContact CG1-CD1 3.72Å; I457-F468 HydrophobicContact CG1-CE1 3.82Å
458	H	98.8	Very high	95.1	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.7	159.6	-76.4	-3.1	0	0	0	110.3	K231 L232 T233 N252 Y456 E467 H469	K231-H458 PolarHBondContact NZ-NE2 3.4Å; L232-H458 WeakPolarHBondContact O-CA 3.19Å; T233-H458 PolarHBondContact OG1-CE1 3.36Å; T233-H458 PolarHBondContact OG1-ND1 3.19Å; N252-H458 PolarHBondContact ND2-CE1 2.97Å; N252-H458 PolarHBondContact OD1-CE1 3.05Å; N252-H458 PolarHBondContact OD1-NE2 2.91Å; Y456-H458 AromaticContact CD2-CE1 3.89Å; Y456-H458 AromaticContact CE2-CE1 3.67Å; H458-E467 HydrophobicContact CB-CB 3.92Å; H458-E467 PolarHBondContact N-O 3.3Å; H458-E467 PolarHBondContact O-N 3.07Å; H458-H469 AromaticContact CD2-CD2 3.76Å; H458-H469 AromaticContact CD2-NE2 3.24Å; H458-H469 PolarHBondContact CD2-NE2 3.34Å; H458-H469 AromaticContact CG-CD2 3.85Å; H458-H469 AromaticContact CG-NE2 3.67Å; H458-H469 AromaticContact NE2-NE2 3.94Å
459	L	98.3	Very high	95.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.8	165.7	-63.8	-171.8	0	0	0	109	I226 K231 L232 I234 I339 V343 Y417 I457 P466	I226-L459 HydrophobicContact CD1-CB 4.47Å; K231-L459 CarbonylContact C-O 3.5Å; K231-L459 WeakPolarHBondContact CA-O 3.47Å; L232-L459 PolarHBondContact N-O 2.9Å; L232-L459 PolarHBondContact O-N 3.27Å; I234-L459 HydrophobicContact CD1-CD1 3.63Å; I234-L459 HydrophobicContact CD1-CG 4.05Å; I339-L459 HydrophobicContact CD1-CD1 3.83Å; V343-L459 HydrophobicContact CG1-CD1 4.3Å; V343-L459 HydrophobicContact CG2-CD1 4.47Å; Y417-L459 WeakPolarHBondContact OH-CD2 3.07Å; I457-L459 HydrophobicContact CG2-CD2 3.84Å; I457-L459 HydrophobicContact CG2-CG 4.13Å; L459-P466 HydrophobicContact CD2-CB 4.3Å
460	R	97.4	Very high	96.3	Very high	94 Å²	94	47.1 Å²	47.1	36%	0.355	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.7	173.2	-62.9	-178.5	-171.7	-76.9	-8.9	109.7	S462 D463 L464 E467	R460-S462 PolarHBondContact O-N 3.08Å; R460-S462 VanDerWaalsContact O-N 3.14Å; R460-D463 PolarHBondContact O-N 3.37Å; R460-L464 WeakPolarHBondContact O-CA 3.47Å; R460-L464 PolarHBondContact O-N 3.38Å; R460-E467 IonicContact CZ-OE1 3.63Å; R460-E467 IonicContact CZ-OE2 2.91Å; R460-E467 IonicContact NE-OE1 3.36Å; R460-E467 PolarHBondContact NE-OE1 3.49Å; R460-E467 IonicContact NE-OE2 3.83Å; R460-E467 PolarHBondContact NE-OE2 3.3Å; R460-E467 IonicContact NH2-OE2 2.88Å; R460-E467 PolarHBondContact NH2-OE2 2.93Å
461	G	95.6	Very high	97.2	Very high	14 Å²	14	42.3 Å²	42.3	14%	0.144	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	-179	0	0	0	0	0	113.9	K227 D230	K227-G461 WeakPolarHBondContact O-CA 3.17Å; D230-G461 PolarHBondContact O-N 3.08Å
462	S	95.2	Very high	97.8	Very high	70 Å²	70	43.9 Å²	43.9	49%	0.49	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-33.6	-179.3	56.6	0	0	0	0	115.2	E228 R460	E228-S462 PolarHBondContact O-N 2.96Å; R460-S462 PolarHBondContact O-N 3.08Å; R460-S462 VanDerWaalsContact O-N 3.14Å
463	D	94.6	Very high	98	Very high	78 Å²	78	45.1 Å²	45.1	42%	0.417	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.1	-11.2	-174.9	74.4	-6.3	0	0	0	115.2	R460 K465	R460-D463 PolarHBondContact O-N 3.37Å; D463-K465 HydrophobicContact CB-CG 4.37Å; D463-K465 PolarHBondContact O-N 3.25Å; D463-K465 PolarHBondContact OD1-N 2.96Å; D463-K465 VanDerWaalsContact OD1-N 3.15Å
464	L	97.6	Very high	98	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.089	23%	0.231	C	C	.	.			trans	48	27.1	-178.6	-58.2	171.7	0	0	0	113.5	I339 N340 K342 V343 Y417 R460	I339-L464 HydrophobicContact CG2-CD2 4.18Å; N340-L464 HydrophobicContact CB-CD1 3.66Å; N340-L464 HydrophobicContact CB-CD2 4.48Å; K342-L464 HydrophobicContact CB-CD1 3.72Å; K342-L464 HydrophobicContact CG-CD1 4.1Å; V343-L464 HydrophobicContact CG2-CB 4.29Å; Y417-L464 WeakPolarHBondContact CE1-O 3.48Å; Y417-L464 PolarHBondContact OH-O 3.16Å; R460-L464 WeakPolarHBondContact O-CA 3.47Å; R460-L464 PolarHBondContact O-N 3.38Å
465	K	97.9	Very high	98	Very high	137 Å²	137	49.8 Å²	49.8	60%	0.596	27%	0.269	S	S	*	.			trans	-78.6	137.5	174.5	-72.1	-177.4	-176.8	170.2	0	109.3	D463 E467	D463-K465 HydrophobicContact CB-CG 4.37Å; D463-K465 PolarHBondContact O-N 3.25Å; D463-K465 PolarHBondContact OD1-N 2.96Å; D463-K465 VanDerWaalsContact OD1-N 3.15Å; K465-E467 PolarHBondContact O-N 3.45Å
466	P	98.1	Very high	98	Very high	37 Å²	37	52.8 Å²	52.8	24%	0.24	28%	0.283	C	S	.	.			trans	-72.8	110.4	178	31	-35.5	0	0	0	110.5	I438 I457 L459 F468	I438-P466 HydrophobicContact CD1-CB 3.94Å; I438-P466 HydrophobicContact CD1-CG 3.56Å; I457-P466 HydrophobicContact CG2-CB 3.86Å; L459-P466 HydrophobicContact CD2-CB 4.3Å; P466-F468 HydrophobicContact CB-CE1 4.3Å; P466-F468 HydrophobicContact CB-CE2 4.14Å; P466-F468 HydrophobicContact CB-CZ 3.83Å; P466-F468 HydrophobicContact CG-CE2 4.16Å; P466-F468 HydrophobicContact CG-CZ 4.04Å
467	E	98.6	Very high	98	Very high	65 Å²	65	53.4 Å²	53.4	30%	0.304	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	110.3	169	-72.2	174.8	-165.2	0	0	108.7	I457 H458 R460 K465 H469	I457-E467 CarbonylContact C-O 3.5Å; I457-E467 WeakPolarHBondContact CA-O 3.41Å; H458-E467 HydrophobicContact CB-CB 3.92Å; H458-E467 PolarHBondContact N-O 3.3Å; H458-E467 PolarHBondContact O-N 3.07Å; R460-E467 IonicContact CZ-OE1 3.63Å; R460-E467 IonicContact CZ-OE2 2.91Å; R460-E467 IonicContact NE-OE1 3.36Å; R460-E467 PolarHBondContact NE-OE1 3.49Å; R460-E467 IonicContact NE-OE2 3.83Å; R460-E467 PolarHBondContact NE-OE2 3.3Å; R460-E467 IonicContact NH2-OE2 2.88Å; R460-E467 PolarHBondContact NH2-OE2 2.93Å; K465-E467 PolarHBondContact O-N 3.45Å; E467-H469 PolarHBondContact O-CD2 3.07Å
468	F	98.8	Very high	97.9	Very high	55 Å²	55	60.9 Å²	60.9	24%	0.241	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.3	-178	-56.4	-81.2	0	0	0	111.7	Y429 V431 I438 I457 P466	Y429-F468 HydrophobicContact CD1-CB 4.08Å; Y429-F468 HydrophobicContact CD1-CD1 4.1Å; Y429-F468 HydrophobicContact CD1-CG 4.18Å; Y429-F468 HydrophobicContact CD2-CB 4.43Å; Y429-F468 AromaticContact CD2-CD1 3.42Å; Y429-F468 HydrophobicContact CD2-CD1 3.42Å; Y429-F468 VanDerWaalsContact CD2-CD1 3.42Å; Y429-F468 HydrophobicContact CD2-CD2 4Å; Y429-F468 AromaticContact CD2-CE1 3.5Å; Y429-F468 HydrophobicContact CD2-CE1 3.5Å; Y429-F468 VanDerWaalsContact CD2-CE1 3.5Å; Y429-F468 HydrophobicContact CD2-CE2 4.08Å; Y429-F468 AromaticContact CD2-CG 3.69Å; Y429-F468 HydrophobicContact CD2-CG 3.69Å; Y429-F468 AromaticContact CD2-CZ 3.84Å; Y429-F468 HydrophobicContact CD2-CZ 3.84Å; Y429-F468 HydrophobicContact CE1-CB 3.93Å; Y429-F468 HydrophobicContact CE1-CG 4.19Å; Y429-F468 HydrophobicContact CE2-CB 4.29Å; Y429-F468 AromaticContact CE2-CD1 3.94Å; Y429-F468 HydrophobicContact CE2-CD1 3.94Å; Y429-F468 AromaticContact CE2-CD2 3.67Å; Y429-F468 HydrophobicContact CE2-CD2 3.67Å; Y429-F468 HydrophobicContact CE2-CE1 4.16Å; Y429-F468 AromaticContact CE2-CE2 3.91Å; Y429-F468 HydrophobicContact CE2-CE2 3.91Å; Y429-F468 AromaticContact CE2-CG 3.69Å; Y429-F468 HydrophobicContact CE2-CG 3.69Å; Y429-F468 HydrophobicContact CE2-CZ 4.15Å; Y429-F468 HydrophobicContact CG-CB 4.34Å; Y429-F468 AromaticContact CG-CD1 3.51Å; Y429-F468 HydrophobicContact CG-CD1 3.51Å; Y429-F468 AromaticContact CG-CE1 3.93Å; Y429-F468 HydrophobicContact CG-CE1 3.93Å; Y429-F468 AromaticContact CG-CG 3.94Å; Y429-F468 HydrophobicContact CG-CG 3.94Å; Y429-F468 AromaticContact CZ-CG 3.95Å; V431-F468 HydrophobicContact CG2-CE2 4Å; V431-F468 HydrophobicContact CG2-CZ 3.66Å; I438-F468 HydrophobicContact CD1-CZ 4.33Å; I438-F468 HydrophobicContact CG2-CE1 3.6Å; I438-F468 HydrophobicContact CG2-CZ 3.8Å; I457-F468 HydrophobicContact CD1-CD1 4.26Å; I457-F468 HydrophobicContact CD1-CE1 3.85Å; I457-F468 HydrophobicContact CG1-CD1 3.72Å; I457-F468 HydrophobicContact CG1-CE1 3.82Å; P466-F468 HydrophobicContact CB-CE1 4.3Å; P466-F468 HydrophobicContact CB-CE2 4.14Å; P466-F468 HydrophobicContact CB-CZ 3.83Å; P466-F468 HydrophobicContact CG-CE2 4.16Å; P466-F468 HydrophobicContact CG-CZ 4.04Å
469	H	98.9	Very high	97.8	Very high	64 Å²	64	62 Å²	62	30%	0.296	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.7	174.3	-65.2	-93.4	0	0	0	109.4	A455 Y456 H458 E467	A455-H469 CarbonylContact C-O 3.58Å; A455-H469 WeakPolarHBondContact CA-O 3.45Å; A455-H469 WeakPolarHBondContact CB-O 3.36Å; Y456-H469 HydrophobicContact CD1-CB 4.48Å; Y456-H469 HydrophobicContact CD2-CB 3.73Å; Y456-H469 HydrophobicContact CE1-CB 4.1Å; Y456-H469 HydrophobicContact CE2-CB 3.29Å; Y456-H469 AromaticContact CE2-CD2 3.93Å; Y456-H469 AromaticContact CE2-CG 3.61Å; Y456-H469 HydrophobicContact CG-CB 4.31Å; Y456-H469 VanDerWaalsContact CZ-CB 3.48Å; Y456-H469 PolarHBondContact N-O 3.4Å; Y456-H469 PolarHBondContact O-N 3.03Å; H458-H469 AromaticContact CD2-CD2 3.76Å; H458-H469 AromaticContact CD2-NE2 3.24Å; H458-H469 PolarHBondContact CD2-NE2 3.34Å; H458-H469 AromaticContact CG-CD2 3.85Å; H458-H469 AromaticContact CG-NE2 3.67Å; H458-H469 AromaticContact NE2-NE2 3.94Å; E467-H469 PolarHBondContact O-CD2 3.07Å
470	Q	98.8	Very high	97.6	Very high	80 Å²	80	69.2 Å²	69.2	37%	0.374	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	149.2	179.2	-57.5	-178.5	-63.9	0	0	111.2	E427 Y429 K453 G454	E427-Q470 PolarHBondContact O-NE2 3.42Å; E427-Q470 PolarHBondContact OE2-NE2 3.02Å; Y429-Q470 HydrophobicContact CD1-CG 4.34Å; Y429-Q470 HydrophobicContact CE1-CG 4.04Å; K453-Q470 HydrophobicContact CD-CB 4.34Å; G454-Q470 CarbonylContact O-C 3.08Å; G454-Q470 WeakPolarHBondContact O-CA 3.29Å
471	F	98.8	Very high	97.4	Very high	12 Å²	12	66.4 Å²	66.4	5%	0.053	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	163	173	65.4	-80.4	0	0	0	110.8	I248 L251 S442 P444 G454 Y456	I248-F471 HydrophobicContact CD1-CE1 4.31Å; I248-F471 HydrophobicContact CD1-CE2 4.31Å; I248-F471 HydrophobicContact CD1-CZ 3.7Å; I248-F471 HydrophobicContact CG1-CE1 4.03Å; I248-F471 HydrophobicContact CG1-CE2 3.89Å; I248-F471 HydrophobicContact CG1-CZ 3.57Å; L251-F471 HydrophobicContact CD1-CB 3.76Å; L251-F471 HydrophobicContact CD1-CG 4.46Å; S442-F471 WeakPolarHBondContact O-CZ 3.44Å; P444-F471 HydrophobicContact CB-CE2 4.38Å; P444-F471 HydrophobicContact CG-CD2 4.07Å; P444-F471 HydrophobicContact CG-CE2 3.63Å; P444-F471 HydrophobicContact CG-CZ 4.49Å; G454-F471 VanDerWaalsContact C-CE1 3.4Å; G454-F471 PolarHBondContact N-O 3.43Å; G454-F471 WeakPolarHBondContact O-CD1 3.44Å; G454-F471 PolarHBondContact O-N 3.25Å; Y456-F471 AromaticContact CD1-CD1 3.84Å; Y456-F471 HydrophobicContact CD1-CD1 3.84Å; Y456-F471 AromaticContact CD1-CE1 3.85Å; Y456-F471 HydrophobicContact CD1-CE1 3.85Å; Y456-F471 AromaticContact CE1-CD1 4Å; Y456-F471 HydrophobicContact CE1-CD1 4Å; Y456-F471 HydrophobicContact CE1-CE1 4.42Å
472	T	98.6	Very high	97.1	Very high	93 Å²	93	66.1 Å²	66.1	57%	0.571	36%	0.356	S	S	*	.			trans	-110.8	163.5	179.8	55	0	0	0	0	110.9	N247 K453	N247-T472 PolarHBondContact ND2-O 3.2Å; K453-T472 HydrophobicContact CG-CG2 4.47Å
473	A	98.3	Very high	97.1	Very high	39 Å²	39	64.9 Å²	64.9	32%	0.322	35%	0.351	S	S	.	.			trans	-65.1	149.3	179.6	0	0	0	0	0	111.6	D244 P444 N445	D244-A473 VanDerWaalsContact OD1-CA 3.29Å; D244-A473 WeakPolarHBondContact OD1-CA 3.39Å; P444-A473 HydrophobicContact CB-CB 3.89Å; P444-A473 VanDerWaalsContact CB-N 3.34Å; P444-A473 HydrophobicContact CG-CB 3.88Å; N445-A473 HydrophobicContact CB-CB 3.55Å
474	V	98.6	Very high	97.1	Very high	42 Å²	42	64.8 Å²	64.8	26%	0.255	35%	0.345	S	S	.	.			trans	-109.9	157.5	174	-62.5	0	0	0	0	111.6	Y243 D244 N247	Y243-V474 WeakPolarHBondContact O-CG2 3.41Å; D244-V474 WeakPolarHBondContact OD1-CG2 3.49Å; D244-V474 PolarHBondContact OD1-N 2.97Å; N247-V474 HydrophobicContact CB-CG1 3.86Å; N247-V474 HydrophobicContact CB-CG2 4.13Å
475	P	98.4	Very high	96.6	Very high	124 Å²	124	64.4 Å²	64.4	81%	0.805	34%	0.344	S	S	*	.			trans	-58.7	141.6	174.8	-23.8	34.5	0	0	0	112.3
476	H	98.6	Very high	95.6	Very high	63 Å²	63	59.3 Å²	59.3	29%	0.292	32%	0.323	S	S	.	.			trans	-133.5	164	172.8	61.8	82.5	0	0	0	110.4	Y243 F273 D448	Y243-H476 HydrophobicContact CD1-CB 4.45Å; Y243-H476 HydrophobicContact CD2-CB 3.43Å; Y243-H476 VanDerWaalsContact CD2-CB 3.43Å; Y243-H476 HydrophobicContact CE2-CB 4.07Å; Y243-H476 HydrophobicContact CG-CB 3.7Å; F273-H476 HydrophobicContact CE2-CB 4.29Å; F273-H476 AromaticContact CE2-ND1 3.89Å; D448-H476 IonicContact OD1-CE1 2.65Å; D448-H476 IonicContact OD1-NE2 2.71Å; D448-H476 PolarHBondContact OD1-NE2 2.95Å; D448-H476 VanDerWaalsContact OD1-NE2 3.12Å; D448-H476 IonicContact OD2-CE1 3.23Å; D448-H476 PolarHBondContact OD2-CE1 3.21Å; D448-H476 IonicContact OD2-NE2 2.91Å; D448-H476 PolarHBondContact OD2-NE2 3.4Å
477	P	98.4	Very high	94.2	Very high	29 Å²	29	61 Å²	61	19%	0.188	33%	0.334	C	S	.	.			trans	-58.7	156.7	175.4	-26.1	36.3	0	0	0	113	Q196 Y243 F273 V479	Q196-P477 VanDerWaalsContact CD-CG 3.47Å; Q196-P477 HydrophobicContact CG-CB 4.18Å; Q196-P477 HydrophobicContact CG-CG 3.72Å; Q196-P477 VanDerWaalsContact NE2-CB 3.34Å; Y243-P477 HydrophobicContact CE1-CG 4.13Å; Y243-P477 HydrophobicContact CE2-CG 4.1Å; Y243-P477 WeakPolarHBondContact OH-CD 3.2Å; Y243-P477 VanDerWaalsContact OH-CG 3.25Å; Y243-P477 WeakPolarHBondContact OH-CG 3.48Å; F273-P477 HydrophobicContact CZ-CB 4.3Å; F273-P477 HydrophobicContact CZ-CG 4.48Å; P477-V479 PolarHBondContact O-N 3.4Å
478	N	97	Very high	92.7	Very high	157 Å²	157	58.5 Å²	58.5	84%	0.84	32%	0.322	S	S	*	.	S	Bend	trans	-75.4	66.8	-174.2	-171.5	20.7	0	0	0	113
479	V	96.8	Very high	91	Very high	32 Å²	32	57 Å²	57	19%	0.194	32%	0.316	C	S	.	.			trans	-118.2	113.8	169.6	-173.1	0	0	0	0	107.1	S272 F273 P477 A483	S272-V479 VanDerWaalsContact CB-CG1 3.46Å; F273-V479 HydrophobicContact CE1-CB 4.35Å; F273-V479 HydrophobicContact CE1-CG2 4.13Å; F273-V479 HydrophobicContact CZ-CB 3.88Å; F273-V479 HydrophobicContact CZ-CG2 4.01Å; P477-V479 PolarHBondContact O-N 3.4Å; V479-A483 HydrophobicContact CG1-CB 3.96Å
480	K	93.9	Very high	89.2	Confident	152 Å²	152	56.5 Å²	56.5	66%	0.661	31%	0.314	S	S	*	.			trans	-63.4	146.8	-176.8	-68	-176.7	176.5	-177.4	0	111.2	S272 A483	S272-K480 PolarHBondContact OG-O 3Å; K480-A483 WeakPolarHBondContact O-CB 3.37Å; K480-A483 PolarHBondContact O-N 2.71Å
481	P	92.9	Very high	87	Confident	34 Å²	34	56.4 Å²	56.4	22%	0.221	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	145	167.7	-26.9	35.6	0	0	0	111.4	R270 C447 D448 A483	R270-P481 CarbonylContact O-C 3.51Å; R270-P481 WeakPolarHBondContact O-CA 3.5Å; C447-P481 HydrophobicContact CB-CB 4.3Å; C447-P481 HydrophobicContact CB-CG 4.46Å; D448-P481 HydrophobicContact CB-CG 4.12Å; D448-P481 WeakPolarHBondContact OD2-CD 3.41Å; D448-P481 VanDerWaalsContact OD2-CG 3.29Å; D448-P481 WeakPolarHBondContact OD2-CG 3.38Å; P481-A483 PolarHBondContact O-N 3.05Å
482	M	91	Very high	84.6	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.039	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	24.5	-177.8	-61.3	-145.8	-40.1	0	0	115.1	R270 Y308 Y484 A485 M489 Q490 M493	R270-M482 PolarHBondContact O-N 3.42Å; Y308-M482 HydrophobicContact CD1-SD 4.12Å; M482-Y484 PolarHBondContact O-N 2.91Å; M482-A485 HydrophobicContact CB-CB 3.69Å; M482-A485 HydrophobicContact CE-CB 4.25Å; M482-A485 HydrophobicContact CG-CB 4.23Å; M482-A485 WeakPolarHBondContact O-CB 3.35Å; M482-A485 PolarHBondContact O-N 2.94Å; M482-A485 HydrophobicContact SD-CB 4.05Å; M482-M489 VanDerWaalsContact CE-C 3.43Å; M482-M489 HydrophobicContact CE-CB 3.8Å; M482-M489 WeakPolarHBondContact CE-O 3.38Å; M482-Q490 PolarHBondContact O-NE2 3.49Å; M482-M493 HydrophobicContact CE-CB 4.45Å; M482-M493 HydrophobicContact CE-CG 4.29Å; M482-M493 HydrophobicContact CE-SD 3.48Å; M482-M493 WeakPolarHBondContact CE-SD 3.31Å; M482-M493 HydrophobicContact SD-CE 4.43Å; M482-M493 HydrophobicContact SD-SD 3.65Å; M482-M493 VanDerWaalsContact SD-SD 3.65Å
483	A	94	Very high	81.9	Confident	44 Å²	44	55.7 Å²	55.7	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.2	178.6	0	0	0	0	0	113.3	S272 V479 K480 P481 Q490	S272-A483 PolarHBondContact OG-N 3.42Å; V479-A483 HydrophobicContact CG1-CB 3.96Å; K480-A483 WeakPolarHBondContact O-CB 3.37Å; K480-A483 PolarHBondContact O-N 2.71Å; P481-A483 PolarHBondContact O-N 3.05Å; A483-Q490 PolarHBondContact O-NE2 3.4Å; A483-Q490 VanDerWaalsContact O-NE2 3.09Å
484	Y	94.2	Very high	78.8	Confident	76 Å²	76	60.8 Å²	60.8	30%	0.298	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	1.3	-178.7	-51.4	-77.3	0	0	0	114.5	E313 A316 M482	E313-Y484 HydrophobicContact CB-CD2 3.67Å; E313-Y484 HydrophobicContact CB-CE2 4.3Å; E313-Y484 HydrophobicContact CB-CG 3.81Å; E313-Y484 HydrophobicContact CG-CD2 3.67Å; E313-Y484 HydrophobicContact CG-CE2 3.79Å; E313-Y484 HydrophobicContact CG-CG 4.2Å; A316-Y484 HydrophobicContact CB-CD1 3.93Å; A316-Y484 HydrophobicContact CB-CE1 3.91Å; M482-Y484 PolarHBondContact O-N 2.91Å
485	A	87.7	Confident	77.9	Confident	9 Å²	9	61.7 Å²	61.7	7%	0.074	34%	0.338	C	S	.	.	S	Bend	trans	-71.5	167.8	-179.6	0	0	0	0	0	112.4	M307 M482 T487 Q490	M307-A485 WeakPolarHBondContact O-CB 3.34Å; M482-A485 HydrophobicContact CB-CB 3.69Å; M482-A485 HydrophobicContact CE-CB 4.25Å; M482-A485 HydrophobicContact CG-CB 4.23Å; M482-A485 WeakPolarHBondContact O-CB 3.35Å; M482-A485 PolarHBondContact O-N 2.94Å; M482-A485 HydrophobicContact SD-CB 4.05Å; A485-T487 PolarHBondContact O-N 3.11Å; A485-Q490 HydrophobicContact CB-CG 4.31Å; A485-Q490 PolarHBondContact O-NE2 3.41Å
486	N	77.2	Confident	76.8	Confident	30 Å²	30	58.4 Å²	58.4	16%	0.16	31%	0.314	C	S	.	.			trans	-59.6	136.2	172.7	-170.8	-63.7	0	0	0	110.1	M307 L488 M489 Q490	M307-N486 PolarHBondContact O-N 3.37Å; N486-L488 PolarHBondContact O-N 3Å; N486-L488 WeakPolarHBondContact OD1-CB 3.43Å; N486-L488 WeakPolarHBondContact OD1-CG 3.45Å; N486-L488 PolarHBondContact OD1-N 3.01Å; N486-M489 PolarHBondContact O-N 3.33Å; N486-Q490 PolarHBondContact O-N 3.27Å; N486-Q490 VanDerWaalsContact O-N 3.15Å
487	T	69.3	Low	75.6	Confident	74 Å²	74	58.2 Å²	58.2	45%	0.454	32%	0.315	S	S	.	.	H	α-helix	trans	-54.8	-30.1	-178.3	-41.2	0	0	0	0	112.6	A485 M489 Q490 L491	A485-T487 PolarHBondContact O-N 3.11Å; T487-M489 VanDerWaalsContact C-N 3.31Å; T487-M489 PolarHBondContact O-N 3.46Å; T487-Q490 PolarHBondContact O-N 3.4Å; T487-L491 HydrophobicContact CG2-CD1 4.42Å; T487-L491 VanDerWaalsContact O-CG 3.31Å; T487-L491 WeakPolarHBondContact O-CG 3.47Å; T487-L491 PolarHBondContact O-N 3.42Å; T487-L491 VanDerWaalsContact O-N 3.14Å
488	L	65.6	Low	74.2	Confident	12 Å²	12	59.9 Å²	59.9	6%	0.063	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-36.8	174.5	-65.5	179.6	0	0	0	113.4	M102 K130 E133 N486 G492	M102-L488 HydrophobicContact CE-CD1 4.27Å; K130-L488 HydrophobicContact CB-CD2 3.97Å; K130-L488 HydrophobicContact CD-CD2 4.11Å; K130-L488 HydrophobicContact CG-CD2 3.58Å; E133-L488 HydrophobicContact CB-CD1 3.54Å; E133-L488 HydrophobicContact CB-CD2 4.25Å; E133-L488 HydrophobicContact CB-CG 3.93Å; E133-L488 HydrophobicContact CG-CD1 4.35Å; E133-L488 HydrophobicContact CG-CD2 4.38Å; E133-L488 HydrophobicContact CG-CG 4.2Å; N486-L488 PolarHBondContact O-N 3Å; N486-L488 WeakPolarHBondContact OD1-CB 3.43Å; N486-L488 WeakPolarHBondContact OD1-CG 3.45Å; N486-L488 PolarHBondContact OD1-N 3.01Å; L488-G492 PolarHBondContact O-N 2.8Å
489	M	64.7	Low	72.8	Confident	22 Å²	22	53.8 Å²	53.8	11%	0.108	29%	0.29	C	S	.	.	H	α-helix	trans	-79.7	-37.3	178.9	-63.5	-54.9	-71.8	0	0	111	M307 Y308 M482 N486 T487 L491 G492 M493	M307-M489 HydrophobicContact CB-CG 4.45Å; M307-M489 HydrophobicContact CE-CG 3.67Å; M307-M489 HydrophobicContact CE-SD 3.73Å; M307-M489 WeakPolarHBondContact O-CG 3.28Å; Y308-M489 HydrophobicContact CD1-CE 4.11Å; Y308-M489 HydrophobicContact CE1-CE 3.29Å; M482-M489 VanDerWaalsContact CE-C 3.43Å; M482-M489 HydrophobicContact CE-CB 3.8Å; M482-M489 WeakPolarHBondContact CE-O 3.38Å; N486-M489 PolarHBondContact O-N 3.33Å; T487-M489 VanDerWaalsContact C-N 3.31Å; T487-M489 PolarHBondContact O-N 3.46Å; M489-L491 PolarHBondContact O-N 3.38Å; M489-G492 PolarHBondContact O-N 2.82Å; M489-M493 PolarHBondContact O-N 3.37Å
490	Q	61.1	Low	71.2	Confident	55 Å²	55	55.3 Å²	55.3	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-57.6	-37.8	174	-66	178.6	-14.8	0	0	112.2	M482 A483 A485 N486 T487 M494	M482-Q490 PolarHBondContact O-NE2 3.49Å; A483-Q490 PolarHBondContact O-NE2 3.4Å; A483-Q490 VanDerWaalsContact O-NE2 3.09Å; A485-Q490 HydrophobicContact CB-CG 4.31Å; A485-Q490 PolarHBondContact O-NE2 3.41Å; N486-Q490 PolarHBondContact O-N 3.27Å; N486-Q490 VanDerWaalsContact O-N 3.15Å; T487-Q490 PolarHBondContact O-N 3.4Å; Q490-M494 VanDerWaalsContact O-CE 3.26Å; Q490-M494 WeakPolarHBondContact O-CE 3.41Å
491	L	52	Low	69.6	Low	77 Å²	77	48.4 Å²	48.4	40%	0.403	27%	0.271	S	S	.	.	H	α-helix	trans	-77.6	-17.8	176.7	-67.6	168.8	0	0	0	113.8	M129 T487 M489	M129-L491 HydrophobicContact SD-CD1 4.09Å; T487-L491 HydrophobicContact CG2-CD1 4.42Å; T487-L491 VanDerWaalsContact O-CG 3.31Å; T487-L491 WeakPolarHBondContact O-CG 3.47Å; T487-L491 PolarHBondContact O-N 3.42Å; T487-L491 VanDerWaalsContact O-N 3.14Å; M489-L491 PolarHBondContact O-N 3.38Å
492	G	47.8	Very low	67.8	Low	34 Å²	34	49.5 Å²	49.5	35%	0.351	27%	0.274	S	S	.	.	H	α-helix	trans	-89.2	-17.7	-177.3	0	0	0	0	0	114.8	R69 L488 M489	R69-G492 PolarHBondContact NH1-O 2.87Å; L488-G492 PolarHBondContact O-N 2.8Å; M489-G492 PolarHBondContact O-N 2.82Å
493	M	43.2	Very low	65.8	Low	56 Å²	56	52.9 Å²	52.9	28%	0.276	29%	0.294	S	S	.	.	H	α-helix	trans	-102.7	-22.8	178.9	-80	178.8	172.3	0	0	114.4	E71 M482 M489	E71-M493 WeakPolarHBondContact OE1-CE 3.38Å; M482-M493 HydrophobicContact CE-CB 4.45Å; M482-M493 HydrophobicContact CE-CG 4.29Å; M482-M493 HydrophobicContact CE-SD 3.48Å; M482-M493 WeakPolarHBondContact CE-SD 3.31Å; M482-M493 HydrophobicContact SD-CE 4.43Å; M482-M493 HydrophobicContact SD-SD 3.65Å; M482-M493 VanDerWaalsContact SD-SD 3.65Å; M489-M493 PolarHBondContact O-N 3.37Å
494	M	33.3	Very low	63.3	Low	146 Å²	146	53.7 Å²	53.7	72%	0.719	29%	0.288	S	S	*	.			trans	-74.5	0	166.3	-69.1	-171.6	-81	0	0	111.1	R69 Q490	R69-M494 PolarHBondContact NH1-OXT 3.04Å; Q490-M494 VanDerWaalsContact O-CE 3.26Å; Q490-M494 WeakPolarHBondContact O-CE 3.41Å

Retrieved 494 of 494 residues in 227.6 ms (Link to these results)

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