A0A087YNL7_POEFO Loading...

MKKS centrosomal shuttling protein

AlphaFold DB , UniProt , Accession A0A087YNL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 575 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	35	Very low	236 Å²	236	153.7 Å²	153.7	100%	1.163	83%	0.828	S	S	*	*				0	104.7	0	-77.5	171	161.6	0	0	106.2
2	H	32.9	Very low	35.7	Very low	159 Å²	159	156.4 Å²	156.4	74%	0.736	83%	0.831	S	S	*	*			cis	-139.8	113.5	30.8	-84.7	-101	0	0	0	109
3	I	33.5	Very low	36	Very low	179 Å²	179	156.8 Å²	156.8	92%	0.918	83%	0.829	S	S	*	*	S	Bend	trans	-129.4	69.8	161.3	-58.3	176.7	0	0	0	104.4
4	A	34.9	Very low	36.8	Very low	96 Å²	96	152.5 Å²	152.5	79%	0.793	82%	0.818	S	S	*	*	S	Bend	trans	-161.4	26.6	179.1	0	0	0	0	0	112.8
5	S	36	Very low	37.8	Very low	68 Å²	68	156.9 Å²	156.9	48%	0.476	82%	0.818	S	S	.	*	S	Bend	trans	-138.9	14.9	-177.5	69.5	0	0	0	0	115.5
6	Y	32.5	Very low	38.9	Very low	218 Å²	218	157.6 Å²	157.6	86%	0.855	82%	0.822	S	S	*	*	S	Bend	trans	-123.8	14.5	-179.4	-95.6	-83.8	0	0	0	114.7
7	L	31.7	Very low	40.5	Very low	183 Å²	183	154.9 Å²	154.9	96%	0.958	81%	0.814	S	S	*	*	S	Bend	trans	-121.5	27.4	173.9	-80.3	163.4	0	0	0	112.6
8	S	31.3	Very low	41.9	Very low	102 Å²	102	156.9 Å²	156.9	71%	0.713	82%	0.815	S	S	*	*	S	Bend	trans	-127.5	16.2	179.5	67.9	0	0	0	0	115.1
9	S	36.4	Very low	43.6	Very low	110 Å²	110	156.8 Å²	156.8	77%	0.769	81%	0.807	S	S	*	*	S	Bend	trans	-124.3	15	177.4	99.2	0	0	0	0	115.8
10	L	36.7	Very low	45.3	Very low	169 Å²	169	152 Å²	152	89%	0.885	79%	0.788	S	S	*	*			trans	-121.7	32.9	171.2	-87.5	158.6	0	0	0	111.7	Q12	L10-Q12 PolarHBondContact O-N 3.22Å; L10-Q12 VanDerWaalsContact O-N 3.09Å
11	M	36.9	Very low	47	Very low	171 Å²	171	150.2 Å²	150.2	84%	0.842	79%	0.786	S	S	*	*			trans	-74.4	92.4	149.8	-78.3	-171.6	89.5	0	0	106.6	M13	M11-M13 PolarHBondContact O-N 3.27Å
12	Q	43.9	Very low	49	Very low	186 Å²	186	142.1 Å²	142.1	87%	0.869	75%	0.752	S	S	*	*			trans	-55.5	89.3	160.3	-150.9	172.3	11.3	0	0	106.2	L10 S14	L10-Q12 PolarHBondContact O-N 3.22Å; L10-Q12 VanDerWaalsContact O-N 3.09Å; Q12-S14 PolarHBondContact O-N 3.43Å
13	M	38.9	Very low	51.4	Low	161 Å²	161	137.8 Å²	137.8	79%	0.793	74%	0.737	S	S	*	*			trans	-65.4	92	168.4	-69.2	-169	86.6	0	0	105.7	M11 R15	M11-M13 PolarHBondContact O-N 3.27Å; M13-R15 PolarHBondContact O-N 3.45Å
14	S	46.8	Very low	53.9	Low	97 Å²	97	133 Å²	133	68%	0.678	72%	0.718	S	S	*	*			trans	-55	94.6	153.1	45.9	0	0	0	0	105.7	Q12 L16	Q12-S14 PolarHBondContact O-N 3.43Å; S14-L16 PolarHBondContact O-N 3.44Å
15	R	52	Low	56.3	Low	218 Å²	218	130.9 Å²	130.9	82%	0.823	70%	0.696	S	S	*	*			trans	-63.2	93.5	166.9	-81.9	-175.7	174.3	-174.1	-0.9	105.1	M13 V17	M13-R15 PolarHBondContact O-N 3.45Å; R15-V17 HydrophobicContact CB-CG2 4.04Å; R15-V17 PolarHBondContact O-N 3.16Å
16	L	55.8	Low	58.8	Low	168 Å²	168	132.9 Å²	132.9	88%	0.88	70%	0.701	S	S	*	*			trans	-62.8	80.1	160.5	-78.5	160.4	0	0	0	106.2	S14 K18	S14-L16 PolarHBondContact O-N 3.44Å; L16-K18 PolarHBondContact O-N 3.44Å
17	V	65.4	Low	61.3	Low	113 Å²	113	126 Å²	126	69%	0.685	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-70.8	119.7	169.9	-177.9	0	0	0	0	105.5	R15 K19	R15-V17 HydrophobicContact CB-CG2 4.04Å; R15-V17 PolarHBondContact O-N 3.16Å; V17-K19 PolarHBondContact O-N 2.93Å; V17-K19 VanDerWaalsContact O-N 3.13Å
18	K	66.8	Low	63.8	Low	191 Å²	191	117.2 Å²	117.2	83%	0.83	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.7	120.3	176.1	-169.3	176.4	-177.4	-179.5	0	107.4	L16 S20	L16-K18 PolarHBondContact O-N 3.44Å; K18-S20 PolarHBondContact O-N 3.22Å; K18-S20 VanDerWaalsContact O-N 3.12Å
19	K	72.9	Confident	66.5	Low	154 Å²	154	113.3 Å²	113.3	67%	0.67	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-54.2	121	178.1	-80.6	-164.6	174.6	-162.3	0	109.3	V17 N575	V17-K19 PolarHBondContact O-N 2.93Å; V17-K19 VanDerWaalsContact O-N 3.13Å; K19-N575 WeakPolarHBondContact CA-OD1 3.42Å; K19-N575 WeakPolarHBondContact CB-ND2 3.47Å; K19-N575 HydrophobicContact CG-CB 4.34Å
20	S	79.1	Confident	68.9	Low	61 Å²	61	113.5 Å²	113.5	43%	0.427	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-59.8	140.2	166.9	-63.7	0	0	0	0	108.6	K18 N575	K18-S20 PolarHBondContact O-N 3.22Å; K18-S20 VanDerWaalsContact O-N 3.12Å; S20-N575 PolarHBondContact N-OD1 3.5Å; S20-N575 PolarHBondContact O-ND2 3.39Å
21	P	80.8	Confident	71.3	Confident	114 Å²	114	107.6 Å²	107.6	74%	0.74	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-61.7	144.9	176	27.2	-33.8	0	0	0	110	V574	P21-V574 WeakPolarHBondContact O-CG2 3.37Å
22	S	83.1	Confident	73.8	Confident	66 Å²	66	103.6 Å²	103.6	46%	0.462	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-60	140.5	174.4	-51.9	0	0	0	0	110.5	Q572	S22-Q572 CarbonylContact C-O 3.46Å; S22-Q572 VanDerWaalsContact CA-O 3.26Å; S22-Q572 WeakPolarHBondContact CA-O 3.47Å; S22-Q572 WeakPolarHBondContact CB-O 3.27Å
23	V	84.4	Confident	76	Confident	69 Å²	69	98.4 Å²	98.4	42%	0.418	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.7	176.7	178.3	0	0	0	0	108.2	I571 Q572 V574	V23-I571 CarbonylContact O-C 3.52Å; V23-I571 WeakPolarHBondContact O-CA 3.19Å; V23-Q572 PolarHBondContact N-O 3.1Å; V23-Q572 PolarHBondContact O-N 2.78Å; V23-V574 HydrophobicContact CB-CG1 4.37Å; V23-V574 HydrophobicContact CG2-CG1 3.68Å; V23-V574 HydrophobicContact CG2-CG2 4.44Å
24	C	85.4	Confident	78.5	Confident	77 Å²	77	90.9 Å²	90.9	52%	0.52	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.3	173.2	-173.2	0	0	0	0	108.9	V570	C24-V570 CarbonylContact C-O 3.56Å; C24-V570 WeakPolarHBondContact CA-O 3.48Å
25	T	84.8	Confident	80.6	Confident	52 Å²	52	88.4 Å²	88.4	32%	0.319	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.1	175.3	-52.7	0	0	0	0	108.7	Y569 V570	T25-Y569 CarbonylContact O-C 3.56Å; T25-Y569 WeakPolarHBondContact O-CA 3.46Å; T25-V570 PolarHBondContact N-O 2.97Å; T25-V570 PolarHBondContact O-N 3.2Å
26	D	89.1	Confident	82.6	Confident	110 Å²	110	81.8 Å²	81.8	59%	0.588	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	147.7	172.2	66.7	-38.8	0	0	0	111.2	R568 Y569	D26-R568 CarbonylContact C-O 3.59Å; D26-Y569 HydrophobicContact CB-CD1 4.04Å; D26-Y569 HydrophobicContact CB-CE1 3.91Å
27	L	85.4	Confident	84.5	Confident	73 Å²	73	77.4 Å²	77.4	38%	0.382	44%	0.436	S	S	.	.	S	Bend	trans	41.4	62.4	177.6	-62.7	174.2	0	0	0	112.6	L29 N30 R568	L27-L29 PolarHBondContact O-N 3.25Å; L27-N30 HydrophobicContact CB-CB 4.38Å; L27-N30 WeakPolarHBondContact O-CB 3.41Å; L27-N30 PolarHBondContact O-N 3.01Å; L27-R568 PolarHBondContact N-O 3.06Å
28	P	84.5	Confident	85.9	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-58.2	-26.1	-169.8	26.4	-39.5	0	0	0	114.1	N30 S31 V34 I85 V567 V570	P28-N30 PolarHBondContact O-N 3.39Å; P28-S31 VanDerWaalsContact O-CB 3.27Å; P28-S31 WeakPolarHBondContact O-CB 3.4Å; P28-S31 PolarHBondContact O-N 3.27Å; P28-V34 WeakPolarHBondContact O-CB 3.46Å; P28-V34 WeakPolarHBondContact O-CG2 3.36Å; P28-I85 HydrophobicContact CB-CD1 3.67Å; P28-I85 HydrophobicContact CG-CD1 3.58Å; P28-V567 HydrophobicContact CG-CB 4.41Å; P28-V567 HydrophobicContact CG-CG1 3.84Å; P28-V570 HydrophobicContact CB-CG2 3.87Å; P28-V570 HydrophobicContact CG-CG2 3.81Å
29	L	87.5	Confident	87.3	Confident	19 Å²	19	68.6 Å²	68.6	10%	0.099	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-73.9	-8.3	175.7	-63.8	178.1	0	0	0	114.1	L27 S31 V34 C35 L38 I85 I115 V564 L565	L27-L29 PolarHBondContact O-N 3.25Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-V34 HydrophobicContact CD2-CG1 4.41Å; L29-C35 PolarHBondContact O-SG 2.9Å; L29-L38 HydrophobicContact CD2-CD1 3.93Å; L29-I85 HydrophobicContact CD2-CD1 4.13Å; L29-I115 HydrophobicContact CD2-CG2 4.45Å; L29-V564 HydrophobicContact CD1-CG1 4.06Å; L29-V564 HydrophobicContact CD2-CG1 3.88Å; L29-V564 HydrophobicContact CG-CG1 4.43Å; L29-L565 HydrophobicContact CD1-CD2 4.07Å
30	N	85.9	Confident	88.4	Confident	115 Å²	115	66.8 Å²	66.8	62%	0.615	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-85.3	-12.7	170.9	-63.6	7.6	0	0	0	111.2	L27 P28 S32	L27-N30 HydrophobicContact CB-CB 4.38Å; L27-N30 WeakPolarHBondContact O-CB 3.41Å; L27-N30 PolarHBondContact O-N 3.01Å; P28-N30 PolarHBondContact O-N 3.39Å; N30-S32 PolarHBondContact O-N 2.78Å
31	S	88.5	Confident	89.2	Confident	44 Å²	44	64.3 Å²	64.3	31%	0.308	37%	0.365	S	S	.	.			trans	-73.9	123.9	175.7	177.2	0	0	0	0	110.7	P28 L29 D33 V34 C35	P28-S31 VanDerWaalsContact O-CB 3.27Å; P28-S31 WeakPolarHBondContact O-CB 3.4Å; P28-S31 PolarHBondContact O-N 3.27Å; L29-S31 VanDerWaalsContact C-N 3.32Å; S31-D33 PolarHBondContact O-N 3.48Å; S31-D33 PolarHBondContact OG-N 3.33Å; S31-V34 PolarHBondContact O-N 3.48Å; S31-C35 PolarHBondContact O-N 3.02Å; S31-C35 VanDerWaalsContact O-N 3.07Å
32	S	88.8	Confident	90	Very high	87 Å²	87	59.9 Å²	59.9	61%	0.608	33%	0.334	S	S	*	.	H	α-helix	trans	-60.7	-34	176	58.5	0	0	0	0	112.3	N30 N36	N30-S32 PolarHBondContact O-N 2.78Å; S32-N36 VanDerWaalsContact O-CB 3.23Å; S32-N36 WeakPolarHBondContact O-CB 3.44Å; S32-N36 PolarHBondContact O-N 3.33Å; S32-N36 PolarHBondContact O-ND2 3.02Å; S32-N36 VanDerWaalsContact O-ND2 3.17Å; S32-N36 PolarHBondContact O-OD1 3.48Å
33	D	90.1	Very high	90.6	Very high	78 Å²	78	62 Å²	62	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-44.6	176.6	176.7	60.1	0	0	0	111.5	S31 N36 K37	S31-D33 PolarHBondContact O-N 3.48Å; S31-D33 PolarHBondContact OG-N 3.33Å; D33-N36 PolarHBondContact O-N 3.46Å; D33-K37 WeakPolarHBondContact O-CG 3.48Å; D33-K37 PolarHBondContact O-N 3.32Å; D33-K37 VanDerWaalsContact OD1-CE 3.26Å; D33-K37 WeakPolarHBondContact OD1-CE 3.37Å; D33-K37 IonicContact OD1-NZ 2.67Å; D33-K37 PolarHBondContact OD1-NZ 3.21Å; D33-K37 WeakPolarHBondContact OD2-CE 3.32Å; D33-K37 IonicContact OD2-NZ 3.6Å; D33-K37 PolarHBondContact OD2-NZ 3.42Å
34	V	91.3	Very high	91.1	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-48.1	178.2	-179.7	0	0	0	0	110.5	P28 L29 S31 N36 K37 L38 H83 I85	P28-V34 WeakPolarHBondContact O-CB 3.46Å; P28-V34 WeakPolarHBondContact O-CG2 3.36Å; L29-V34 HydrophobicContact CD2-CG1 4.41Å; S31-V34 PolarHBondContact O-N 3.48Å; V34-N36 VanDerWaalsContact C-N 3.3Å; V34-N36 PolarHBondContact O-N 3.34Å; V34-K37 PolarHBondContact O-N 2.87Å; V34-K37 VanDerWaalsContact O-N 3.16Å; V34-L38 HydrophobicContact CG1-CD1 4.34Å; V34-L38 HydrophobicContact CG1-CG 4.49Å; V34-L38 WeakPolarHBondContact O-CG 3.28Å; V34-L38 PolarHBondContact O-N 3.01Å; V34-H83 VanDerWaalsContact CG2-NE2 3.26Å; V34-H83 WeakPolarHBondContact CG2-NE2 3.36Å; V34-I85 HydrophobicContact CG1-CD1 4.17Å
35	C	91.5	Very high	91.7	Very high	44 Å²	44	57.8 Å²	57.8	30%	0.297	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-39.7	177.2	-71.3	0	0	0	0	112.3	L29 S31 L38 R39	L29-C35 PolarHBondContact O-SG 2.9Å; S31-C35 PolarHBondContact O-N 3.02Å; S31-C35 VanDerWaalsContact O-N 3.07Å; C35-L38 PolarHBondContact O-N 3.42Å; C35-R39 WeakPolarHBondContact O-CB 3.34Å; C35-R39 PolarHBondContact O-N 3.05Å
36	N	93.6	Very high	92.2	Very high	80 Å²	80	58.6 Å²	58.6	43%	0.428	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-40.5	175.7	-71.5	-17.6	0	0	0	111.9	S32 D33 V34 R39 L40	S32-N36 VanDerWaalsContact O-CB 3.23Å; S32-N36 WeakPolarHBondContact O-CB 3.44Å; S32-N36 PolarHBondContact O-N 3.33Å; S32-N36 PolarHBondContact O-ND2 3.02Å; S32-N36 VanDerWaalsContact O-ND2 3.17Å; S32-N36 PolarHBondContact O-OD1 3.48Å; D33-N36 PolarHBondContact O-N 3.46Å; V34-N36 VanDerWaalsContact C-N 3.3Å; V34-N36 PolarHBondContact O-N 3.34Å; N36-R39 PolarHBondContact O-N 3.36Å; N36-R39 PolarHBondContact OD1-NH1 3.25Å; N36-L40 WeakPolarHBondContact O-CB 3.31Å; N36-L40 PolarHBondContact O-N 3Å
37	K	95.1	Very high	92.5	Very high	75 Å²	75	54.7 Å²	54.7	33%	0.326	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-42.1	174.2	-71.3	179.5	-148.1	-59.2	0	112.1	D33 V34 L40 M41 H83 V86	D33-K37 WeakPolarHBondContact O-CG 3.48Å; D33-K37 PolarHBondContact O-N 3.32Å; D33-K37 VanDerWaalsContact OD1-CE 3.26Å; D33-K37 WeakPolarHBondContact OD1-CE 3.37Å; D33-K37 IonicContact OD1-NZ 2.67Å; D33-K37 PolarHBondContact OD1-NZ 3.21Å; D33-K37 WeakPolarHBondContact OD2-CE 3.32Å; D33-K37 IonicContact OD2-NZ 3.6Å; D33-K37 PolarHBondContact OD2-NZ 3.42Å; V34-K37 PolarHBondContact O-N 2.87Å; V34-K37 VanDerWaalsContact O-N 3.16Å; K37-L40 PolarHBondContact O-N 3.27Å; K37-M41 WeakPolarHBondContact O-CB 3.38Å; K37-M41 PolarHBondContact O-N 3.49Å; K37-H83 HydrophobicContact CD-CB 4.46Å; K37-V86 HydrophobicContact CB-CG2 4.28Å
38	L	96.1	Very high	93	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.063	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-41.8	177.4	-65.5	-178.2	0	0	0	111.6	L29 V34 C35 M41 K42 I85 V86 I89 L112 I115	L29-L38 HydrophobicContact CD2-CD1 3.93Å; V34-L38 HydrophobicContact CG1-CD1 4.34Å; V34-L38 HydrophobicContact CG1-CG 4.49Å; V34-L38 WeakPolarHBondContact O-CG 3.28Å; V34-L38 PolarHBondContact O-N 3.01Å; C35-L38 PolarHBondContact O-N 3.42Å; L38-M41 PolarHBondContact O-N 2.56Å; L38-K42 WeakPolarHBondContact O-CB 3.36Å; L38-K42 PolarHBondContact O-N 3.45Å; L38-I85 HydrophobicContact CD1-CG2 4.4Å; L38-I85 HydrophobicContact CD2-CG2 4.24Å; L38-V86 HydrophobicContact CD2-CG2 4.24Å; L38-I89 HydrophobicContact CD2-CD1 3.56Å; L38-L112 HydrophobicContact CB-CD2 4.22Å; L38-L112 HydrophobicContact CD2-CD2 4.01Å; L38-I115 HydrophobicContact CD1-CG2 4.15Å
39	R	95.6	Very high	93.5	Very high	108 Å²	108	52.5 Å²	52.5	41%	0.408	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-47.6	174.2	-169.6	-175.1	-59	111.8	3.5	111.5	C35 N36 M41 K42 E43	C35-R39 WeakPolarHBondContact O-CB 3.34Å; C35-R39 PolarHBondContact O-N 3.05Å; N36-R39 PolarHBondContact O-N 3.36Å; N36-R39 PolarHBondContact OD1-NH1 3.25Å; R39-M41 VanDerWaalsContact C-N 3.32Å; R39-M41 PolarHBondContact O-N 3.31Å; R39-K42 WeakPolarHBondContact O-CA 3.28Å; R39-K42 WeakPolarHBondContact O-CB 3.27Å; R39-K42 PolarHBondContact O-N 3.43Å; R39-K42 VanDerWaalsContact O-N 3.09Å; R39-E43 WeakPolarHBondContact O-CG 3.48Å; R39-E43 PolarHBondContact O-N 3.41Å
40	L	95.5	Very high	93.8	Very high	115 Å²	115	52 Å²	52	60%	0.602	27%	0.274	S	S	*	.	H	α-helix	trans	-60.8	-42	177.1	-179	64.8	0	0	0	111.8	N36 K37 K42 E43 L44	N36-L40 WeakPolarHBondContact O-CB 3.31Å; N36-L40 PolarHBondContact O-N 3Å; K37-L40 PolarHBondContact O-N 3.27Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 PolarHBondContact O-N 2.78Å; L40-E43 PolarHBondContact O-N 3.47Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 PolarHBondContact O-N 3.31Å
41	M	96.4	Very high	94.1	Very high	10 Å²	10	50 Å²	50	5%	0.049	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-40.8	174.6	-176.3	176.4	173.1	0	0	111.3	K37 L38 R39 L45 L76 I79 V86 I89 L112	K37-M41 WeakPolarHBondContact O-CB 3.38Å; K37-M41 PolarHBondContact O-N 3.49Å; L38-M41 PolarHBondContact O-N 2.56Å; R39-M41 VanDerWaalsContact C-N 3.32Å; R39-M41 PolarHBondContact O-N 3.31Å; M41-L45 HydrophobicContact CE-CD1 3.76Å; M41-L45 HydrophobicContact CG-CD1 3.77Å; M41-L45 WeakPolarHBondContact O-CB 3.43Å; M41-L45 VanDerWaalsContact O-CG 3.24Å; M41-L45 WeakPolarHBondContact O-CG 3.35Å; M41-L45 PolarHBondContact O-N 3.09Å; M41-L45 VanDerWaalsContact O-N 3.1Å; M41-L76 HydrophobicContact CE-CD2 3.79Å; M41-I79 HydrophobicContact CG-CD1 4.47Å; M41-V86 HydrophobicContact SD-CG1 4.12Å; M41-I89 HydrophobicContact CE-CG2 3.85Å; M41-I89 HydrophobicContact SD-CG2 4.45Å; M41-L112 HydrophobicContact CB-CD1 4.27Å; M41-L112 HydrophobicContact CG-CD1 3.93Å; M41-L112 HydrophobicContact SD-CD1 4.4Å
42	K	97.2	Very high	94.2	Very high	21 Å²	21	50.7 Å²	50.7	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-50.1	176.4	-177.8	177.4	166.3	173.3	0	111	L38 R39 L40 L44 L45 K46 L112 S113 E116	L38-K42 WeakPolarHBondContact O-CB 3.36Å; L38-K42 PolarHBondContact O-N 3.45Å; R39-K42 WeakPolarHBondContact O-CA 3.28Å; R39-K42 WeakPolarHBondContact O-CB 3.27Å; R39-K42 PolarHBondContact O-N 3.43Å; R39-K42 VanDerWaalsContact O-N 3.09Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 PolarHBondContact O-N 2.78Å; K42-L44 PolarHBondContact O-N 3.26Å; K42-L45 PolarHBondContact O-N 2.87Å; K42-K46 WeakPolarHBondContact O-CA 3.46Å; K42-K46 WeakPolarHBondContact O-CB 3.44Å; K42-K46 PolarHBondContact O-N 2.96Å; K42-L112 HydrophobicContact CB-CB 3.91Å; K42-L112 HydrophobicContact CB-CD1 3.83Å; K42-L112 HydrophobicContact CB-CG 4.44Å; K42-L112 HydrophobicContact CD-CB 4.13Å; K42-L112 HydrophobicContact CG-CB 4.06Å; K42-S113 VanDerWaalsContact CE-OG 3.23Å; K42-S113 WeakPolarHBondContact CE-OG 3.4Å; K42-S113 PolarHBondContact NZ-OG 3.4Å; K42-E116 WeakPolarHBondContact CD-OE2 3.5Å; K42-E116 IonicContact NZ-OE2 3.63Å; K42-E116 PolarHBondContact NZ-OE2 3.45Å
43	E	96.1	Very high	94.4	Very high	109 Å²	109	46.9 Å²	46.9	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-43.5	179.3	-71.8	170.4	-175.9	0	0	112.2	R39 L40 L45 S47	R39-E43 WeakPolarHBondContact O-CG 3.48Å; R39-E43 PolarHBondContact O-N 3.41Å; L40-E43 PolarHBondContact O-N 3.47Å; E43-L45 PolarHBondContact O-N 3.08Å; E43-S47 WeakPolarHBondContact O-CB 3.48Å; E43-S47 PolarHBondContact O-N 3.36Å; E43-S47 PolarHBondContact O-OG 3.11Å; E43-S47 VanDerWaalsContact O-OG 3.05Å
44	L	95.7	Very high	94.6	Very high	58 Å²	58	48.3 Å²	48.3	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-58	-50	176.2	-176.8	89.6	0	0	0	111.3	L40 K42 S47 K56 I79	L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 PolarHBondContact O-N 3.31Å; K42-L44 PolarHBondContact O-N 3.26Å; L44-S47 PolarHBondContact O-OG 2.92Å; L44-K56 HydrophobicContact CD1-CD 4.2Å; L44-I79 HydrophobicContact CD2-CD1 3.71Å; L44-I79 HydrophobicContact CD2-CG1 3.93Å
45	L	96.6	Very high	94.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-76.9	-36.6	-175.1	-63.5	170.3	0	0	0	111.9	M41 K42 E43 S48 L75 L76 L105 L112	M41-L45 HydrophobicContact CE-CD1 3.76Å; M41-L45 HydrophobicContact CG-CD1 3.77Å; M41-L45 WeakPolarHBondContact O-CB 3.43Å; M41-L45 VanDerWaalsContact O-CG 3.24Å; M41-L45 WeakPolarHBondContact O-CG 3.35Å; M41-L45 PolarHBondContact O-N 3.09Å; M41-L45 VanDerWaalsContact O-N 3.1Å; K42-L45 PolarHBondContact O-N 2.87Å; E43-L45 PolarHBondContact O-N 3.08Å; L45-S48 PolarHBondContact O-N 2.98Å; L45-S48 VanDerWaalsContact O-N 3.11Å; L45-L75 HydrophobicContact CD2-CB 4.44Å; L45-L76 HydrophobicContact CD1-CD2 3.9Å; L45-L76 HydrophobicContact CD2-CD2 4.1Å; L45-L76 HydrophobicContact CD2-CG 4.45Å; L45-L105 HydrophobicContact CB-CD2 4.29Å; L45-L105 HydrophobicContact CD2-CD2 3.92Å; L45-L112 HydrophobicContact CD1-CD1 4.4Å
46	K	96	Very high	94.8	Very high	69 Å²	69	51.4 Å²	51.4	30%	0.3	25%	0.254	S	S	.	.	H	α-helix	trans	-57	-50.7	173.1	170.6	163.1	-177	-177.6	0	110.5	K42 S48 Y49 V109 S469 H472	K42-K46 WeakPolarHBondContact O-CA 3.46Å; K42-K46 WeakPolarHBondContact O-CB 3.44Å; K42-K46 PolarHBondContact O-N 2.96Å; K46-S48 PolarHBondContact O-N 3.29Å; K46-Y49 WeakPolarHBondContact O-CB 3.48Å; K46-Y49 PolarHBondContact O-N 3.41Å; K46-V109 HydrophobicContact CB-CG2 4.26Å; K46-S469 VanDerWaalsContact CD-OG 3.3Å; K46-S469 WeakPolarHBondContact CD-OG 3.5Å; K46-S469 VanDerWaalsContact CE-OG 3.26Å; K46-S469 WeakPolarHBondContact CE-OG 3.41Å; K46-S469 VanDerWaalsContact CG-OG 3.31Å; K46-S469 WeakPolarHBondContact CG-OG 3.45Å; K46-H472 PolarHBondContact O-CE1 3.06Å; K46-H472 VanDerWaalsContact O-CE1 3.23Å
47	S	95.7	Very high	94.8	Very high	29 Å²	29	53.9 Å²	53.9	20%	0.203	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-1.7	178.7	67.7	0	0	0	0	114.6	E43 L44 R54 K56	E43-S47 WeakPolarHBondContact O-CB 3.48Å; E43-S47 PolarHBondContact O-N 3.36Å; E43-S47 PolarHBondContact O-OG 3.11Å; E43-S47 VanDerWaalsContact O-OG 3.05Å; L44-S47 PolarHBondContact O-OG 2.92Å; S47-R54 WeakPolarHBondContact O-CA 3.37Å; S47-R54 WeakPolarHBondContact O-CB 3.35Å; S47-R54 PolarHBondContact O-N 2.88Å; S47-K56 PolarHBondContact O-NZ 3.1Å; S47-K56 WeakPolarHBondContact OG-CE 3.42Å; S47-K56 PolarHBondContact OG-NZ 2.97Å
48	S	95.5	Very high	94.6	Very high	1 Å²	1	52 Å²	52	1%	0.007	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	3.9	174.2	-70.3	0	0	0	0	113.2	L45 K46 A53 R54 K56 L105	L45-S48 PolarHBondContact O-N 2.98Å; L45-S48 VanDerWaalsContact O-N 3.11Å; K46-S48 PolarHBondContact O-N 3.29Å; S48-A53 WeakPolarHBondContact O-CB 3.35Å; S48-R54 PolarHBondContact OG-O 3.16Å; S48-K56 PolarHBondContact OG-NZ 3.22Å; S48-L105 WeakPolarHBondContact O-CD1 3.21Å
49	Y	95.6	Very high	94.3	Very high	25 Å²	25	57.1 Å²	57.1	10%	0.098	28%	0.281	C	S	.	.			trans	-88.9	130.6	-176.4	-167.6	-108.7	0	0	0	112.7	K46 L105 F106 V466 L470 H472	K46-Y49 WeakPolarHBondContact O-CB 3.48Å; K46-Y49 PolarHBondContact O-N 3.41Å; Y49-L105 HydrophobicContact CD2-CB 3.62Å; Y49-L105 HydrophobicContact CD2-CD1 4.32Å; Y49-L105 HydrophobicContact CE2-CB 4.23Å; Y49-F106 HydrophobicContact CE2-CB 4.04Å; Y49-V466 HydrophobicContact CE1-CG1 3.85Å; Y49-V466 HydrophobicContact CE2-CG1 4.39Å; Y49-L470 HydrophobicContact CD1-CD2 3.64Å; Y49-L470 HydrophobicContact CD1-CG 3.97Å; Y49-L470 HydrophobicContact CE1-CD2 3.54Å; Y49-L470 HydrophobicContact CE1-CG 3.78Å; Y49-H472 PolarHBondContact O-NE2 3.38Å
50	G	93.3	Very high	93.6	Very high	9 Å²	9	56 Å²	56	9%	0.093	28%	0.283	C	S	.	.	S	Bend	trans	90.3	178.6	173.8	0	0	0	0	0	116	A53	G50-A53 WeakPolarHBondContact O-CB 3.32Å; G50-A53 PolarHBondContact O-N 2.89Å
51	P	91.5	Very high	92.9	Very high	72 Å²	72	58.2 Å²	58.2	47%	0.468	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-27.2	-176.7	28	-34.4	0	0	0	113.9	A53 P174	P51-A53 VanDerWaalsContact C-N 3.29Å; P51-P174 WeakPolarHBondContact O-CB 3.45Å; P51-P174 WeakPolarHBondContact O-CG 3.45Å
52	T	90.7	Very high	92.2	Very high	60 Å²	60	65.7 Å²	65.7	37%	0.368	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	8.9	177.4	48.4	0	0	0	0	112.8	L470 H472	T52-L470 PolarHBondContact OG1-O 3.31Å; T52-H472 PolarHBondContact O-CD2 2.59Å; T52-H472 PolarHBondContact OG1-CD2 3.43Å
53	A	93.2	Very high	91.2	Very high	7 Å²	7	67.2 Å²	67.2	6%	0.058	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-56.5	146.9	-176.5	0	0	0	0	0	114.2	S48 G50 P51 P174	S48-A53 WeakPolarHBondContact O-CB 3.35Å; G50-A53 WeakPolarHBondContact O-CB 3.32Å; G50-A53 PolarHBondContact O-N 2.89Å; P51-A53 VanDerWaalsContact C-N 3.29Å; A53-P174 HydrophobicContact CB-CG 4.02Å; A53-P174 WeakPolarHBondContact O-CG 3.47Å
54	R	93.9	Very high	90.4	Very high	108 Å²	108	64.9 Å²	64.9	41%	0.408	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-81.5	131	173.6	-52.1	-55.8	-169.6	-147.3	7.9	111	S47 S48 K56 H472 D473	S47-R54 WeakPolarHBondContact O-CA 3.37Å; S47-R54 WeakPolarHBondContact O-CB 3.35Å; S47-R54 PolarHBondContact O-N 2.88Å; S48-R54 PolarHBondContact OG-O 3.16Å; R54-K56 PolarHBondContact O-NZ 3.27Å; R54-H472 PolarHBondContact NH2-O 3.09Å; R54-D473 IonicContact CZ-OD1 3.83Å; R54-D473 IonicContact NH1-OD1 3.52Å; R54-D473 PolarHBondContact NH1-OD1 2.99Å; R54-D473 IonicContact NH2-OD1 2.68Å; R54-D473 PolarHBondContact NH2-OD1 3.45Å
55	L	93.6	Very high	89.7	Confident	75 Å²	75	66.4 Å²	66.4	39%	0.393	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-72.8	147.8	178.2	-51.6	-168.2	0	0	0	111.4	T68 P174 T175	L55-T68 HydrophobicContact CB-CG2 4Å; L55-T68 HydrophobicContact CD1-CG2 4Å; L55-P174 HydrophobicContact CD2-CB 4.34Å; L55-P174 HydrophobicContact CD2-CG 3.93Å; L55-T175 HydrophobicContact CD1-CG2 4.47Å; L55-T175 WeakPolarHBondContact CD2-OG1 3.3Å
56	K	93.9	Very high	89.3	Confident	36 Å²	36	69.5 Å²	69.5	16%	0.157	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.9	175.3	-52.4	-63.9	179.5	-89.2	0	109.3	L44 S47 S48 R54 T68 T69 L75	L44-K56 HydrophobicContact CD1-CD 4.2Å; S47-K56 PolarHBondContact O-NZ 3.1Å; S47-K56 WeakPolarHBondContact OG-CE 3.42Å; S47-K56 PolarHBondContact OG-NZ 2.97Å; S48-K56 PolarHBondContact OG-NZ 3.22Å; R54-K56 PolarHBondContact O-NZ 3.27Å; K56-T68 CarbonylContact O-C 3.59Å; K56-T68 WeakPolarHBondContact O-CA 3.34Å; K56-T69 PolarHBondContact N-O 3.3Å; K56-T69 PolarHBondContact O-N 3.48Å; K56-L75 HydrophobicContact CB-CD2 3.66Å; K56-L75 HydrophobicContact CG-CD1 4.46Å; K56-L75 HydrophobicContact CG-CD2 3.88Å
57	Q	93.1	Very high	89	Confident	133 Å²	133	69.2 Å²	69.2	62%	0.621	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.1	171.2	-67.4	-172.6	-41.4	0	0	108.6	V66 V67 T68	Q57-V66 HydrophobicContact CB-CG1 4.1Å; Q57-V67 WeakPolarHBondContact CA-O 3.4Å; Q57-T68 HydrophobicContact CG-CG2 4.28Å
58	V	90.6	Very high	88.9	Confident	35 Å²	35	69.1 Å²	69.1	21%	0.212	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.1	-179.8	178	0	0	0	0	108.7	V67 L75 A78	V58-V67 HydrophobicContact CB-CB 4.45Å; V58-V67 PolarHBondContact N-O 2.94Å; V58-V67 PolarHBondContact O-N 3.1Å; V58-L75 HydrophobicContact CG2-CD2 4.31Å; V58-A78 HydrophobicContact CB-CB 4.36Å; V58-A78 HydrophobicContact CG1-CB 3.45Å; V58-A78 VanDerWaalsContact CG1-CB 3.45Å; V58-A78 HydrophobicContact CG2-CB 3.95Å
59	H	89.5	Confident	88.7	Confident	119 Å²	119	69 Å²	69	55%	0.551	40%	0.402	S	S	*	.			trans	-105	133.5	174.4	-64	-105.2	0	0	0	109.1
60	N	82.7	Confident	88.6	Confident	86 Å²	86	67.9 Å²	67.9	46%	0.46	40%	0.398	S	S	.	.			trans	-92.3	154.1	173.8	69.9	-2.7	0	0	0	110.8	I62 G63 G64	N60-I62 VanDerWaalsContact C-N 3.27Å; N60-I62 PolarHBondContact O-N 3.22Å; N60-G63 PolarHBondContact ND2-O 3.2Å; N60-G63 VanDerWaalsContact OD1-CA 3.32Å; N60-G63 WeakPolarHBondContact OD1-CA 3.47Å; N60-G63 PolarHBondContact OD1-N 3.1Å; N60-G63 PolarHBondContact OD1-O 3.33Å; N60-G64 PolarHBondContact OD1-N 2.99Å
61	N	80.4	Confident	88.6	Confident	161 Å²	161	67.5 Å²	67.5	86%	0.861	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-6	-176.8	-61.7	-7	0	0	0	113.3
62	I	81.1	Confident	88.7	Confident	167 Å²	167	64.4 Å²	64.4	86%	0.856	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-4	-172.3	-51.4	169.4	0	0	0	111	N60	N60-I62 VanDerWaalsContact C-N 3.27Å; N60-I62 PolarHBondContact O-N 3.22Å
63	G	77.1	Confident	88.8	Confident	53 Å²	53	62.5 Å²	62.5	55%	0.546	36%	0.363	S	S	.	.			trans	84.4	150.4	-170.9	0	0	0	0	0	112.2	N60	N60-G63 PolarHBondContact ND2-O 3.2Å; N60-G63 VanDerWaalsContact OD1-CA 3.32Å; N60-G63 WeakPolarHBondContact OD1-CA 3.47Å; N60-G63 PolarHBondContact OD1-N 3.1Å; N60-G63 PolarHBondContact OD1-O 3.33Å
64	G	79.4	Confident	88.8	Confident	60 Å²	60	63.8 Å²	63.8	62%	0.619	37%	0.37	S	S	*	.			trans	148.2	-174	-175.8	0	0	0	0	0	112.7	N60	N60-G64 PolarHBondContact OD1-N 2.99Å
65	A	80.5	Confident	88.8	Confident	90 Å²	90	58.9 Å²	58.9	74%	0.744	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-68.2	131.6	177.1	0	0	0	0	0	111.1
66	V	87.8	Confident	88.8	Confident	64 Å²	64	55.3 Å²	55.3	39%	0.388	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-73.7	126	172.7	178.3	0	0	0	0	108.6	Q57	Q57-V66 HydrophobicContact CB-CG1 4.1Å
67	V	89.9	Confident	88.7	Confident	64 Å²	64	60 Å²	60	39%	0.388	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.3	179.5	-178.2	0	0	0	0	109.1	Q57 V58 T69 V74	Q57-V67 WeakPolarHBondContact CA-O 3.4Å; V58-V67 HydrophobicContact CB-CB 4.45Å; V58-V67 PolarHBondContact N-O 2.94Å; V58-V67 PolarHBondContact O-N 3.1Å; V67-T69 HydrophobicContact CG1-CG2 4.4Å; V67-V74 HydrophobicContact CG1-CG1 3.95Å
68	T	92.4	Very high	88.5	Confident	26 Å²	26	55.7 Å²	55.7	16%	0.16	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.7	172.5	-56.6	0	0	0	0	108.7	L55 K56 Q57 T175	L55-T68 HydrophobicContact CB-CG2 4Å; L55-T68 HydrophobicContact CD1-CG2 4Å; K56-T68 CarbonylContact O-C 3.59Å; K56-T68 WeakPolarHBondContact O-CA 3.34Å; Q57-T68 HydrophobicContact CG-CG2 4.28Å; T68-T175 WeakPolarHBondContact O-CG2 3.47Å
69	T	92.7	Very high	88.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159.3	-173.6	-169.5	0	0	0	0	112	K56 V67 T71 V74 L75 E394	K56-T69 PolarHBondContact N-O 3.3Å; K56-T69 PolarHBondContact O-N 3.48Å; V67-T69 HydrophobicContact CG1-CG2 4.4Å; T69-T71 WeakPolarHBondContact OG1-CB 3.44Å; T69-T71 PolarHBondContact OG1-N 3.42Å; T69-V74 HydrophobicContact CG2-CB 3.81Å; T69-V74 HydrophobicContact CG2-CG1 3.73Å; T69-L75 HydrophobicContact CG2-CD2 3.68Å; T69-L75 HydrophobicContact CG2-CG 4.08Å; T69-E394 VanDerWaalsContact OG1-CD 3.28Å; T69-E394 PolarHBondContact OG1-OE1 2.93Å; T69-E394 PolarHBondContact OG1-OE2 3.34Å
70	S	92.4	Very high	88.3	Confident	1 Å²	1	55 Å²	55	1%	0.007	35%	0.35	C	S	.	.			trans	-115.9	2.5	164.7	50.4	0	0	0	0	111.4	T175	S70-T175 PolarHBondContact N-OG1 3.37Å; S70-T175 PolarHBondContact OG-OG1 2.81Å
71	T	92.9	Very high	88.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	34%	0.342	C	S	.	.			trans	-83.9	126.2	-169.4	-72.4	0	0	0	0	112.6	T69 S73 V74 L75 E394 L397 K401	T69-T71 WeakPolarHBondContact OG1-CB 3.44Å; T69-T71 PolarHBondContact OG1-N 3.42Å; T71-S73 VanDerWaalsContact C-N 3.34Å; T71-S73 WeakPolarHBondContact CG2-OG 3.33Å; T71-S73 PolarHBondContact O-N 2.79Å; T71-V74 HydrophobicContact CG2-CG2 4.48Å; T71-V74 PolarHBondContact O-N 3.17Å; T71-L75 WeakPolarHBondContact O-CG 3.41Å; T71-L75 PolarHBondContact O-N 3.17Å; T71-E394 WeakPolarHBondContact CB-OE1 3.46Å; T71-E394 PolarHBondContact OG1-OE1 3.48Å; T71-L397 HydrophobicContact CG2-CD2 3.86Å; T71-K401 HydrophobicContact CG2-CD 4.45Å; T71-K401 VanDerWaalsContact CG2-CE 3.45Å
72	S	94	Very high	88.6	Confident	8 Å²	8	50.2 Å²	50.2	6%	0.056	34%	0.336	C	S	.	.	H	α-helix	trans	-52.6	-41.2	-179.7	52.9	0	0	0	0	114.9	V74 L75 L76	S72-V74 PolarHBondContact O-N 2.95Å; S72-L75 PolarHBondContact O-N 3.47Å; S72-L76 VanDerWaalsContact O-CB 3.23Å; S72-L76 WeakPolarHBondContact O-CB 3.45Å; S72-L76 WeakPolarHBondContact O-CG 3.41Å; S72-L76 PolarHBondContact O-N 3.37Å
73	S	93.3	Very high	89	Confident	19 Å²	19	43.5 Å²	43.5	13%	0.133	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-31.2	179.8	41.5	0	0	0	0	112.8	T71 Q77 K401	T71-S73 VanDerWaalsContact C-N 3.34Å; T71-S73 WeakPolarHBondContact CG2-OG 3.33Å; T71-S73 PolarHBondContact O-N 2.79Å; S73-Q77 WeakPolarHBondContact O-CG 3.46Å; S73-K401 WeakPolarHBondContact OG-CE 3.46Å; S73-K401 PolarHBondContact OG-NZ 3.22Å; S73-K401 VanDerWaalsContact OG-NZ 3.12Å
74	V	93.1	Very high	89.7	Confident	35 Å²	35	43.5 Å²	43.5	21%	0.212	29%	0.291	C	S	.	.	H	α-helix	trans	-87.6	-47.1	178.8	-173.8	0	0	0	0	110	V67 T69 T71 S72 L76 Q77 A78 L397	V67-V74 HydrophobicContact CG1-CG1 3.95Å; T69-V74 HydrophobicContact CG2-CB 3.81Å; T69-V74 HydrophobicContact CG2-CG1 3.73Å; T71-V74 HydrophobicContact CG2-CG2 4.48Å; T71-V74 PolarHBondContact O-N 3.17Å; S72-V74 PolarHBondContact O-N 2.95Å; V74-L76 PolarHBondContact O-N 3.04Å; V74-Q77 PolarHBondContact O-N 3.35Å; V74-A78 WeakPolarHBondContact O-CB 3.36Å; V74-A78 PolarHBondContact O-N 2.85Å; V74-L397 HydrophobicContact CG2-CD2 3.78Å
75	L	93.6	Very high	90.4	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-48	-179	-65	178.5	0	0	0	112.6	L45 K56 V58 T69 T71 S72 Q77 A78 I79	L45-L75 HydrophobicContact CD2-CB 4.44Å; K56-L75 HydrophobicContact CB-CD2 3.66Å; K56-L75 HydrophobicContact CG-CD1 4.46Å; K56-L75 HydrophobicContact CG-CD2 3.88Å; V58-L75 HydrophobicContact CG2-CD2 4.31Å; T69-L75 HydrophobicContact CG2-CD2 3.68Å; T69-L75 HydrophobicContact CG2-CG 4.08Å; T71-L75 WeakPolarHBondContact O-CG 3.41Å; T71-L75 PolarHBondContact O-N 3.17Å; S72-L75 PolarHBondContact O-N 3.47Å; L75-Q77 VanDerWaalsContact C-N 3.32Å; L75-Q77 PolarHBondContact O-N 2.74Å; L75-A78 WeakPolarHBondContact O-CB 3.41Å; L75-A78 PolarHBondContact O-N 3.41Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 2.92Å; L75-I79 VanDerWaalsContact O-N 3.1Å
76	L	93.7	Very high	91.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-38.5	-179.3	-70.6	168.9	0	0	0	111.4	M41 L45 S72 V74 A78 I79 K90 I93 L94	M41-L76 HydrophobicContact CE-CD2 3.79Å; L45-L76 HydrophobicContact CD1-CD2 3.9Å; L45-L76 HydrophobicContact CD2-CD2 4.1Å; L45-L76 HydrophobicContact CD2-CG 4.45Å; S72-L76 VanDerWaalsContact O-CB 3.23Å; S72-L76 WeakPolarHBondContact O-CB 3.45Å; S72-L76 WeakPolarHBondContact O-CG 3.41Å; S72-L76 PolarHBondContact O-N 3.37Å; V74-L76 PolarHBondContact O-N 3.04Å; L76-A78 VanDerWaalsContact C-N 3.31Å; L76-A78 PolarHBondContact O-N 3.04Å; L76-I79 HydrophobicContact CD2-CD1 4.22Å; L76-I79 PolarHBondContact O-N 3.41Å; L76-K90 VanDerWaalsContact O-CD 3.23Å; L76-K90 WeakPolarHBondContact O-CD 3.4Å; L76-K90 WeakPolarHBondContact O-CE 3.48Å; L76-K90 PolarHBondContact O-NZ 3.46Å; L76-I93 HydrophobicContact CD1-CB 4.07Å; L76-I93 HydrophobicContact CD1-CG2 3.46Å; L76-I93 VanDerWaalsContact CD1-CG2 3.46Å; L76-L94 HydrophobicContact CB-CD1 4.4Å; L76-L94 HydrophobicContact CB-CD2 3.65Å; L76-L94 HydrophobicContact CB-CG 3.9Å; L76-L94 HydrophobicContact CD1-CD2 4.32Å; L76-L94 HydrophobicContact CD1-CG 4.46Å
77	Q	92	Very high	91.4	Very high	134 Å²	134	36.5 Å²	36.5	63%	0.626	23%	0.229	S	C	*	.	H	α-helix	trans	-62.6	-40.3	175	-75.5	179.3	-0.9	0	0	111.6	S73 V74 L75 K90 L94	S73-Q77 WeakPolarHBondContact O-CG 3.46Å; V74-Q77 PolarHBondContact O-N 3.35Å; L75-Q77 VanDerWaalsContact C-N 3.32Å; L75-Q77 PolarHBondContact O-N 2.74Å; Q77-K90 PolarHBondContact O-NZ 2.88Å; Q77-L94 HydrophobicContact CG-CD1 4.17Å; Q77-L94 HydrophobicContact CG-CD2 3.88Å
78	A	90.2	Very high	91.6	Very high	43 Å²	43	36.4 Å²	36.4	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-68.5	-30.2	-179.8	0	0	0	0	0	114.5	V58 V74 L75 L76 S80	V58-A78 HydrophobicContact CB-CB 4.36Å; V58-A78 HydrophobicContact CG1-CB 3.45Å; V58-A78 VanDerWaalsContact CG1-CB 3.45Å; V58-A78 HydrophobicContact CG2-CB 3.95Å; V74-A78 WeakPolarHBondContact O-CB 3.36Å; V74-A78 PolarHBondContact O-N 2.85Å; L75-A78 WeakPolarHBondContact O-CB 3.41Å; L75-A78 PolarHBondContact O-N 3.41Å; L76-A78 VanDerWaalsContact C-N 3.31Å; L76-A78 PolarHBondContact O-N 3.04Å; A78-S80 PolarHBondContact O-N 3.4Å
79	I	89.4	Confident	91.9	Very high	33 Å²	33	35.1 Å²	35.1	17%	0.169	22%	0.219	C	C	.	.			trans	-62.4	111.9	176.6	-68	160.1	0	0	0	109.4	M41 L44 L75 L76 K90	M41-I79 HydrophobicContact CG-CD1 4.47Å; L44-I79 HydrophobicContact CD2-CD1 3.71Å; L44-I79 HydrophobicContact CD2-CG1 3.93Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 2.92Å; L75-I79 VanDerWaalsContact O-N 3.1Å; L76-I79 HydrophobicContact CD2-CD1 4.22Å; L76-I79 PolarHBondContact O-N 3.41Å; I79-K90 PolarHBondContact O-NZ 3.31Å
80	S	85.8	Confident	92	Very high	106 Å²	106	37.2 Å²	37.2	74%	0.741	23%	0.228	S	C	*	.			trans	-101.5	120.3	173.3	53.6	0	0	0	0	109.7	A78	A78-S80 PolarHBondContact O-N 3.4Å
81	S	85.3	Confident	92.2	Very high	41 Å²	41	39 Å²	39	29%	0.287	25%	0.246	S	C	.	.			trans	-146.8	134.7	176.1	179.9	0	0	0	0	109	H83 S87	S81-H83 VanDerWaalsContact C-N 3.29Å; S81-H83 PolarHBondContact OG-N 3Å; S81-S87 PolarHBondContact O-OG 3.41Å
82	S	84.2	Confident	92.5	Very high	105 Å²	105	40.7 Å²	40.7	73%	0.734	26%	0.258	S	S	*	.			trans	-81.7	-9.5	173.6	52.5	0	0	0	0	112.7	P84	S82-P84 WeakPolarHBondContact O-CD 3.48Å
83	H	89.4	Confident	92.7	Very high	27 Å²	27	40.3 Å²	40.3	13%	0.125	26%	0.255	C	S	.	.			trans	-75.4	126.7	-175.9	-163.5	-86.3	0	0	0	111.2	V34 K37 S81 I85 V86 S87	V34-H83 VanDerWaalsContact CG2-NE2 3.26Å; V34-H83 WeakPolarHBondContact CG2-NE2 3.36Å; K37-H83 HydrophobicContact CD-CB 4.46Å; S81-H83 VanDerWaalsContact C-N 3.29Å; S81-H83 PolarHBondContact OG-N 3Å; H83-I85 VanDerWaalsContact C-N 3.35Å; H83-I85 PolarHBondContact ND1-N 3.3Å; H83-I85 PolarHBondContact O-N 3.46Å; H83-V86 HydrophobicContact CB-CB 4.46Å; H83-V86 HydrophobicContact CB-CG2 4.17Å; H83-V86 PolarHBondContact O-N 3.49Å; H83-S87 PolarHBondContact O-N 3.27Å; H83-S87 PolarHBondContact O-OG 3.39Å
84	P	91.6	Very high	92.9	Very high	53 Å²	53	41.1 Å²	41.1	34%	0.344	26%	0.258	S	S	.	.	H	α-helix	trans	-59.4	-38.7	-175.3	-31	39.8	0	0	0	114.4	S82 V86 S87 L88 V570	S82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-V86 PolarHBondContact O-N 2.97Å; P84-S87 WeakPolarHBondContact O-CB 3.49Å; P84-S87 PolarHBondContact O-N 2.64Å; P84-L88 WeakPolarHBondContact O-CB 3.35Å; P84-L88 PolarHBondContact O-N 3.48Å; P84-V570 HydrophobicContact CB-CG1 4.18Å; P84-V570 HydrophobicContact CG-CG1 3.66Å
85	I	93.7	Very high	93.1	Very high	5 Å²	5	44 Å²	44	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-43.3	178.4	-64.4	-178.6	0	0	0	111.6	P28 L29 V34 L38 H83 S87 L88 I89 V564	P28-I85 HydrophobicContact CB-CD1 3.67Å; P28-I85 HydrophobicContact CG-CD1 3.58Å; L29-I85 HydrophobicContact CD2-CD1 4.13Å; V34-I85 HydrophobicContact CG1-CD1 4.17Å; L38-I85 HydrophobicContact CD1-CG2 4.4Å; L38-I85 HydrophobicContact CD2-CG2 4.24Å; H83-I85 VanDerWaalsContact C-N 3.35Å; H83-I85 PolarHBondContact ND1-N 3.3Å; H83-I85 PolarHBondContact O-N 3.46Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 3.4Å; I85-L88 PolarHBondContact O-N 2.79Å; I85-I89 HydrophobicContact CG2-CD1 4.07Å; I85-I89 WeakPolarHBondContact O-CG1 3.25Å; I85-I89 PolarHBondContact O-N 3.12Å; I85-V564 HydrophobicContact CG2-CG1 3.73Å; I85-V564 HydrophobicContact CG2-CG2 4.12Å
86	V	94.6	Very high	93.3	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-41.2	178.1	178.4	0	0	0	0	109.8	K37 L38 M41 H83 P84 L88 I89 K90	K37-V86 HydrophobicContact CB-CG2 4.28Å; L38-V86 HydrophobicContact CD2-CG2 4.24Å; M41-V86 HydrophobicContact SD-CG1 4.12Å; H83-V86 HydrophobicContact CB-CB 4.46Å; H83-V86 HydrophobicContact CB-CG2 4.17Å; H83-V86 PolarHBondContact O-N 3.49Å; P84-V86 PolarHBondContact O-N 2.97Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 3.36Å; V86-I89 PolarHBondContact O-N 3.14Å; V86-K90 WeakPolarHBondContact O-CB 3.4Å; V86-K90 PolarHBondContact O-N 2.94Å
87	S	94.3	Very high	93.4	Very high	56 Å²	56	44.1 Å²	44.1	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-38.3	176.5	-62.3	0	0	0	0	112.6	S81 H83 P84 I85 G91	S81-S87 PolarHBondContact O-OG 3.41Å; H83-S87 PolarHBondContact O-N 3.27Å; H83-S87 PolarHBondContact O-OG 3.39Å; P84-S87 WeakPolarHBondContact O-CB 3.49Å; P84-S87 PolarHBondContact O-N 2.64Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 3.4Å; S87-G91 PolarHBondContact O-N 2.72Å
88	L	95.4	Very high	93.6	Very high	61 Å²	61	41.6 Å²	41.6	32%	0.319	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-49.3	176.9	179.7	144.5	0	0	0	111.4	P84 I85 V86 G91 S92 T560 L563 V564	P84-L88 WeakPolarHBondContact O-CB 3.35Å; P84-L88 PolarHBondContact O-N 3.48Å; I85-L88 PolarHBondContact O-N 2.79Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 3.36Å; L88-G91 PolarHBondContact O-N 2.85Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.39Å; L88-T560 HydrophobicContact CD2-CG2 4.01Å; L88-L563 HydrophobicContact CD1-CD2 3.81Å; L88-L563 HydrophobicContact CD1-CG 4.23Å; L88-L563 HydrophobicContact CD2-CD2 4.14Å; L88-L563 HydrophobicContact CD2-CG 4.45Å; L88-L563 HydrophobicContact CG-CD2 4.33Å; L88-V564 HydrophobicContact CD2-CG2 3.59Å
89	I	97.4	Very high	93.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-50.1	177.3	-64.8	168.9	0	0	0	110.1	L38 M41 I85 V86 G91 S92 I93 L112 I115 T560 V564	L38-I89 HydrophobicContact CD2-CD1 3.56Å; M41-I89 HydrophobicContact CE-CG2 3.85Å; M41-I89 HydrophobicContact SD-CG2 4.45Å; I85-I89 HydrophobicContact CG2-CD1 4.07Å; I85-I89 WeakPolarHBondContact O-CG1 3.25Å; I85-I89 PolarHBondContact O-N 3.12Å; V86-I89 PolarHBondContact O-N 3.14Å; I89-G91 PolarHBondContact O-N 3.29Å; I89-S92 PolarHBondContact O-N 3.49Å; I89-I93 HydrophobicContact CG2-CD1 3.59Å; I89-I93 WeakPolarHBondContact O-CD1 3.45Å; I89-I93 WeakPolarHBondContact O-CG1 3.39Å; I89-I93 PolarHBondContact O-N 2.97Å; I89-I93 VanDerWaalsContact O-N 3.12Å; I89-L112 HydrophobicContact CD1-CD2 4.03Å; I89-I115 HydrophobicContact CD1-CD1 3.93Å; I89-T560 HydrophobicContact CB-CG2 4.42Å; I89-T560 HydrophobicContact CG1-CG2 4.06Å; I89-V564 HydrophobicContact CD1-CG2 4.03Å; I89-V564 HydrophobicContact CG1-CG2 3.76Å
90	K	96.6	Very high	94.2	Very high	44 Å²	44	46.7 Å²	46.7	19%	0.191	28%	0.279	C	S	.	.	H	α-helix	trans	-55.7	-48.7	176.9	171.2	179.8	166.4	165.3	0	111.7	L76 Q77 I79 V86 I93 L94	L76-K90 VanDerWaalsContact O-CD 3.23Å; L76-K90 WeakPolarHBondContact O-CD 3.4Å; L76-K90 WeakPolarHBondContact O-CE 3.48Å; L76-K90 PolarHBondContact O-NZ 3.46Å; Q77-K90 PolarHBondContact O-NZ 2.88Å; I79-K90 PolarHBondContact O-NZ 3.31Å; V86-K90 WeakPolarHBondContact O-CB 3.4Å; V86-K90 PolarHBondContact O-N 2.94Å; K90-I93 PolarHBondContact O-N 2.99Å; K90-L94 HydrophobicContact CD-CD1 4.37Å; K90-L94 HydrophobicContact CG-CD1 3.74Å; K90-L94 HydrophobicContact CG-CG 4.34Å; K90-L94 VanDerWaalsContact O-CB 3.3Å; K90-L94 WeakPolarHBondContact O-CB 3.41Å; K90-L94 VanDerWaalsContact O-CG 3.3Å; K90-L94 WeakPolarHBondContact O-CG 3.22Å; K90-L94 PolarHBondContact O-N 2.83Å
91	G	96.8	Very high	94.6	Very high	38 Å²	38	42.8 Å²	42.8	39%	0.392	25%	0.251	S	S	.	.	H	α-helix	trans	-63.5	-44.5	-177.5	0	0	0	0	0	112.6	S87 L88 I89 L94 N95	S87-G91 PolarHBondContact O-N 2.72Å; L88-G91 PolarHBondContact O-N 2.85Å; I89-G91 PolarHBondContact O-N 3.29Å; G91-L94 PolarHBondContact O-N 3.12Å; G91-N95 WeakPolarHBondContact O-CB 3.33Å; G91-N95 PolarHBondContact O-N 3.26Å
92	S	97.9	Very high	95.1	Very high	36 Å²	36	42.2 Å²	42.2	25%	0.252	25%	0.245	S	C	.	.	H	α-helix	trans	-60	-47.9	177.7	-171.2	0	0	0	0	111.8	L88 I89 N95 H96 T560	L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.39Å; I89-S92 PolarHBondContact O-N 3.49Å; S92-N95 WeakPolarHBondContact O-CB 3.37Å; S92-N95 PolarHBondContact O-N 2.89Å; S92-H96 PolarHBondContact O-N 2.8Å; S92-H96 VanDerWaalsContact O-N 3.1Å; S92-T560 WeakPolarHBondContact CB-OG1 3.21Å; S92-T560 PolarHBondContact OG-OG1 2.85Å
93	I	98.1	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.6	-36.4	-178.8	-59.6	160.1	0	0	0	111.4	L76 I89 K90 N95 H96 V97 G104 A107	L76-I93 HydrophobicContact CD1-CB 4.07Å; L76-I93 HydrophobicContact CD1-CG2 3.46Å; L76-I93 VanDerWaalsContact CD1-CG2 3.46Å; I89-I93 HydrophobicContact CG2-CD1 3.59Å; I89-I93 WeakPolarHBondContact O-CD1 3.45Å; I89-I93 WeakPolarHBondContact O-CG1 3.39Å; I89-I93 PolarHBondContact O-N 2.97Å; I89-I93 VanDerWaalsContact O-N 3.12Å; K90-I93 PolarHBondContact O-N 2.99Å; I93-N95 VanDerWaalsContact C-N 3.26Å; I93-N95 PolarHBondContact O-N 2.81Å; I93-H96 VanDerWaalsContact O-CB 3.32Å; I93-H96 WeakPolarHBondContact O-CB 3.14Å; I93-H96 PolarHBondContact O-N 3.01Å; I93-H96 VanDerWaalsContact O-N 3.15Å; I93-V97 HydrophobicContact CG2-CG2 4.43Å; I93-V97 WeakPolarHBondContact O-CG2 3.33Å; I93-V97 PolarHBondContact O-N 2.84Å; I93-G104 WeakPolarHBondContact CG2-O 3.44Å; I93-A107 HydrophobicContact CG1-CB 4.47Å; I93-A107 HydrophobicContact CG2-CB 4.37Å
94	L	97.3	Very high	96.1	Very high	36 Å²	36	36.4 Å²	36.4	19%	0.188	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-35.5	173.2	-80.5	175.9	0	0	0	112	L76 Q77 K90 G91 H96 V97 S98	L76-L94 HydrophobicContact CB-CD1 4.4Å; L76-L94 HydrophobicContact CB-CD2 3.65Å; L76-L94 HydrophobicContact CB-CG 3.9Å; L76-L94 HydrophobicContact CD1-CD2 4.32Å; L76-L94 HydrophobicContact CD1-CG 4.46Å; Q77-L94 HydrophobicContact CG-CD1 4.17Å; Q77-L94 HydrophobicContact CG-CD2 3.88Å; K90-L94 HydrophobicContact CD-CD1 4.37Å; K90-L94 HydrophobicContact CG-CD1 3.74Å; K90-L94 HydrophobicContact CG-CG 4.34Å; K90-L94 VanDerWaalsContact O-CB 3.3Å; K90-L94 WeakPolarHBondContact O-CB 3.41Å; K90-L94 VanDerWaalsContact O-CG 3.3Å; K90-L94 WeakPolarHBondContact O-CG 3.22Å; K90-L94 PolarHBondContact O-N 2.83Å; G91-L94 PolarHBondContact O-N 3.12Å; L94-H96 VanDerWaalsContact C-N 3.35Å; L94-V97 PolarHBondContact O-N 2.85Å; L94-S98 WeakPolarHBondContact O-CB 3.4Å; L94-S98 PolarHBondContact O-N 2.88Å; L94-S98 PolarHBondContact O-OG 3.44Å
95	N	97.6	Very high	96.3	Very high	94 Å²	94	34.4 Å²	34.4	50%	0.503	19%	0.194	S	C	.	.	H	α-helix	trans	-67.8	-34.8	174.1	-171.9	57.3	0	0	0	112.3	G91 S92 I93 S98 R99	G91-N95 WeakPolarHBondContact O-CB 3.33Å; G91-N95 PolarHBondContact O-N 3.26Å; S92-N95 WeakPolarHBondContact O-CB 3.37Å; S92-N95 PolarHBondContact O-N 2.89Å; I93-N95 VanDerWaalsContact C-N 3.26Å; I93-N95 PolarHBondContact O-N 2.81Å; N95-S98 PolarHBondContact O-OG 2.94Å; N95-R99 WeakPolarHBondContact O-CG 3.28Å; N95-R99 PolarHBondContact O-N 2.93Å
96	H	97.8	Very high	96.6	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-52.9	168.6	172.9	87.9	0	0	0	111	S92 I93 L94 S98 R99 F100 D102 A549 N552 A553 V556	S92-H96 PolarHBondContact O-N 2.8Å; S92-H96 VanDerWaalsContact O-N 3.1Å; I93-H96 VanDerWaalsContact O-CB 3.32Å; I93-H96 WeakPolarHBondContact O-CB 3.14Å; I93-H96 PolarHBondContact O-N 3.01Å; I93-H96 VanDerWaalsContact O-N 3.15Å; L94-H96 VanDerWaalsContact C-N 3.35Å; H96-S98 VanDerWaalsContact C-N 3.31Å; H96-S98 PolarHBondContact O-N 2.89Å; H96-R99 PolarHBondContact O-N 3.42Å; H96-R99 VanDerWaalsContact O-N 3.1Å; H96-F100 AromaticContact ND1-CD2 3.99Å; H96-F100 WeakPolarHBondContact O-CD2 3.37Å; H96-F100 PolarHBondContact O-N 2.83Å; H96-D102 PolarHBondContact CD2-O 2.94Å; H96-D102 PolarHBondContact NE2-O 2.84Å; H96-A549 PolarHBondContact CE1-O 3.48Å; H96-A549 VanDerWaalsContact CE1-O 3.22Å; H96-N552 PolarHBondContact CE1-ND2 3.35Å; H96-N552 PolarHBondContact ND1-ND2 2.74Å; H96-A553 VanDerWaalsContact CE1-CA 3.48Å; H96-A553 WeakPolarHBondContact CE1-CA 3.46Å; H96-A553 VanDerWaalsContact CE1-CB 3.43Å; H96-A553 WeakPolarHBondContact CE1-CB 3.31Å; H96-A553 PolarHBondContact CE1-N 3.16Å; H96-V556 HydrophobicContact CB-CG1 4.25Å; H96-V556 HydrophobicContact CB-CG2 4.27Å
97	V	96.4	Very high	96.7	Very high	6 Å²	6	34 Å²	34	4%	0.036	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-33.3	-175.9	-180	0	0	0	0	112.1	I93 L94 R99 S101	I93-V97 HydrophobicContact CG2-CG2 4.43Å; I93-V97 WeakPolarHBondContact O-CG2 3.33Å; I93-V97 PolarHBondContact O-N 2.84Å; L94-V97 PolarHBondContact O-N 2.85Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 3.35Å; V97-S101 WeakPolarHBondContact O-CA 3.47Å; V97-S101 PolarHBondContact O-N 2.86Å
98	S	96.2	Very high	96.9	Very high	82 Å²	82	31.4 Å²	31.4	57%	0.573	17%	0.173	S	C	*	.	H	α-helix	trans	-65.9	-32.2	175.5	70.1	0	0	0	0	112.6	L94 N95 H96	L94-S98 WeakPolarHBondContact O-CB 3.4Å; L94-S98 PolarHBondContact O-N 2.88Å; L94-S98 PolarHBondContact O-OG 3.44Å; N95-S98 PolarHBondContact O-OG 2.94Å; H96-S98 VanDerWaalsContact C-N 3.31Å; H96-S98 PolarHBondContact O-N 2.89Å
99	R	95.6	Very high	97.1	Very high	159 Å²	159	28.5 Å²	28.5	60%	0.6	16%	0.158	S	C	*	.	H	α-helix	trans	-93	-29.7	-176.6	-68.6	-172.7	68.5	-170.7	0.2	114.9	N95 H96 V97 H404	N95-R99 WeakPolarHBondContact O-CG 3.28Å; N95-R99 PolarHBondContact O-N 2.93Å; H96-R99 PolarHBondContact O-N 3.42Å; H96-R99 VanDerWaalsContact O-N 3.1Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 3.35Å; R99-H404 PolarHBondContact O-CE1 3.47Å
100	F	96.1	Very high	97.1	Very high	24 Å²	24	28.5 Å²	28.5	11%	0.105	16%	0.158	C	C	.	.	H	α-helix	trans	-121.1	-11.3	-174.8	-61.9	-91.9	0	0	0	113.4	H96 D102 L408 T548 A549 N552	H96-F100 AromaticContact ND1-CD2 3.99Å; H96-F100 WeakPolarHBondContact O-CD2 3.37Å; H96-F100 PolarHBondContact O-N 2.83Å; F100-D102 PolarHBondContact O-N 2.79Å; F100-L408 HydrophobicContact CB-CD1 4.37Å; F100-L408 HydrophobicContact CD1-CD1 4.08Å; F100-L408 HydrophobicContact CD1-CD2 4.26Å; F100-T548 HydrophobicContact CD1-CG2 4.11Å; F100-T548 HydrophobicContact CE1-CG2 3.82Å; F100-A549 HydrophobicContact CB-CB 4.05Å; F100-N552 HydrophobicContact CD1-CB 4.39Å; F100-N552 HydrophobicContact CD2-CB 4.38Å; F100-N552 WeakPolarHBondContact CD2-ND2 3.42Å; F100-N552 HydrophobicContact CE1-CB 3.94Å; F100-N552 HydrophobicContact CE2-CB 3.98Å; F100-N552 WeakPolarHBondContact CE2-ND2 3.35Å; F100-N552 HydrophobicContact CZ-CB 3.71Å
101	S	94.2	Very high	97.2	Very high	24 Å²	24	26.4 Å²	26.4	17%	0.168	15%	0.149	C	C	.	.	S	Bend	trans	61.7	-11.3	175.7	-70.8	0	0	0	0	118.5	V97 K401 H404	V97-S101 WeakPolarHBondContact O-CA 3.47Å; V97-S101 PolarHBondContact O-N 2.86Å; S101-K401 WeakPolarHBondContact O-CG 3.31Å; S101-K401 PolarHBondContact O-NZ 3.08Å; S101-K401 VanDerWaalsContact O-NZ 3.13Å; S101-H404 WeakPolarHBondContact CB-ND1 3.43Å; S101-H404 PolarHBondContact OG-ND1 3.21Å
102	D	95.3	Very high	97.3	Very high	28 Å²	28	24.8 Å²	24.8	15%	0.15	13%	0.131	C	C	.	.	S	Bend	trans	-127.5	-176	178.8	-162.6	14.1	0	0	0	112	H96 F100 G104 V405 A549	H96-D102 PolarHBondContact CD2-O 2.94Å; H96-D102 PolarHBondContact NE2-O 2.84Å; F100-D102 PolarHBondContact O-N 2.79Å; D102-G104 PolarHBondContact O-N 2.78Å; D102-V405 HydrophobicContact CB-CG2 3.66Å; D102-A549 HydrophobicContact CB-CB 4.27Å
103	C	97.2	Very high	97.3	Very high	9 Å²	9	23.1 Å²	23.1	6%	0.061	12%	0.12	C	C	.	.			trans	57.4	8.9	173.6	-67.7	0	0	0	0	117.1	L105 F106 A107 A549 A553	C103-L105 PolarHBondContact O-N 3.09Å; C103-F106 WeakPolarHBondContact O-CB 3.31Å; C103-F106 PolarHBondContact O-N 2.81Å; C103-A107 PolarHBondContact O-N 3.43Å; C103-A549 HydrophobicContact CB-CB 4.25Å; C103-A553 HydrophobicContact CB-CB 3.65Å
104	G	97.4	Very high	97.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-64	-36.4	179.1	0	0	0	0	0	114.6	I93 D102 S108	I93-G104 WeakPolarHBondContact CG2-O 3.44Å; D102-G104 PolarHBondContact O-N 2.78Å; G104-S108 WeakPolarHBondContact O-CB 3.38Å; G104-S108 PolarHBondContact O-N 3.4Å; G104-S108 PolarHBondContact O-OG 3.01Å
105	L	97.4	Very high	97.4	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.058	12%	0.116	C	C	.	.	H	α-helix	trans	-71.3	-40.5	175.8	-66.3	178.4	0	0	0	111.6	L45 S48 Y49 C103 A107 S108 V109	L45-L105 HydrophobicContact CB-CD2 4.29Å; L45-L105 HydrophobicContact CD2-CD2 3.92Å; S48-L105 WeakPolarHBondContact O-CD1 3.21Å; Y49-L105 HydrophobicContact CD2-CB 3.62Å; Y49-L105 HydrophobicContact CD2-CD1 4.32Å; Y49-L105 HydrophobicContact CE2-CB 4.23Å; C103-L105 PolarHBondContact O-N 3.09Å; L105-A107 PolarHBondContact O-N 3.17Å; L105-S108 WeakPolarHBondContact O-CB 2.87Å; L105-S108 PolarHBondContact O-N 3.47Å; L105-V109 WeakPolarHBondContact O-CG2 3.38Å; L105-V109 PolarHBondContact O-N 3.46Å
106	F	98.3	Very high	97.3	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-54.7	-53	171.8	164.5	-89.7	0	0	0	110.4	Y49 C103 S108 V109 F110 E423 V466 K550 A553 L554	Y49-F106 HydrophobicContact CE2-CB 4.04Å; C103-F106 WeakPolarHBondContact O-CB 3.31Å; C103-F106 PolarHBondContact O-N 2.81Å; F106-S108 VanDerWaalsContact C-N 3.25Å; F106-S108 PolarHBondContact O-N 3.18Å; F106-V109 PolarHBondContact O-N 3.19Å; F106-F110 HydrophobicContact CZ-CD1 4.37Å; F106-F110 VanDerWaalsContact O-CB 3.28Å; F106-F110 WeakPolarHBondContact O-CB 3.34Å; F106-F110 PolarHBondContact O-N 2.81Å; F106-E423 HydrophobicContact CD2-CG 4.25Å; F106-E423 WeakPolarHBondContact CD2-OE1 3.39Å; F106-E423 HydrophobicContact CE2-CG 3.77Å; F106-E423 VanDerWaalsContact CE2-OE1 3.29Å; F106-E423 WeakPolarHBondContact CE2-OE1 3.43Å; F106-V466 HydrophobicContact CD2-CG1 3.68Å; F106-V466 HydrophobicContact CE2-CG1 4.3Å; F106-K550 HydrophobicContact CD1-CD 3.93Å; F106-K550 HydrophobicContact CD2-CD 3.91Å; F106-K550 HydrophobicContact CE1-CD 3.91Å; F106-K550 HydrophobicContact CE2-CD 3.93Å; F106-K550 HydrophobicContact CG-CD 3.96Å; F106-K550 HydrophobicContact CZ-CD 3.93Å; F106-A553 HydrophobicContact CD1-CB 3.6Å; F106-A553 HydrophobicContact CE1-CB 3.91Å; F106-L554 HydrophobicContact CE1-CB 4.37Å; F106-L554 HydrophobicContact CZ-CD1 4.11Å
107	A	98.5	Very high	97.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-40.3	178.7	0	0	0	0	0	112.2	I93 C103 L105 C111 A553 A557	I93-A107 HydrophobicContact CG1-CB 4.47Å; I93-A107 HydrophobicContact CG2-CB 4.37Å; C103-A107 PolarHBondContact O-N 3.43Å; L105-A107 PolarHBondContact O-N 3.17Å; A107-C111 WeakPolarHBondContact O-CB 3.45Å; A107-C111 PolarHBondContact O-N 2.97Å; A107-A553 HydrophobicContact CB-CB 4.09Å; A107-A557 HydrophobicContact CB-CB 4.47Å; A107-A557 WeakPolarHBondContact O-CB 3.35Å
108	S	98.3	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.8	-53.1	-179.6	-55.3	0	0	0	0	112.5	G104 L105 F106 F110 C111 L112	G104-S108 WeakPolarHBondContact O-CB 3.38Å; G104-S108 PolarHBondContact O-N 3.4Å; G104-S108 PolarHBondContact O-OG 3.01Å; L105-S108 WeakPolarHBondContact O-CB 2.87Å; L105-S108 PolarHBondContact O-N 3.47Å; F106-S108 VanDerWaalsContact C-N 3.25Å; F106-S108 PolarHBondContact O-N 3.18Å; S108-F110 VanDerWaalsContact C-N 3.35Å; S108-C111 PolarHBondContact O-N 2.91Å; S108-L112 WeakPolarHBondContact O-CB 3.18Å; S108-L112 WeakPolarHBondContact O-CD1 3.11Å; S108-L112 VanDerWaalsContact O-CG 3.29Å; S108-L112 WeakPolarHBondContact O-CG 3.41Å; S108-L112 PolarHBondContact O-N 2.98Å
109	V	98.4	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-43.5	-177.2	177.5	0	0	0	0	109.4	K46 L105 F106 L112 S113 V466	K46-V109 HydrophobicContact CB-CG2 4.26Å; L105-V109 WeakPolarHBondContact O-CG2 3.38Å; L105-V109 PolarHBondContact O-N 3.46Å; F106-V109 PolarHBondContact O-N 3.19Å; V109-L112 PolarHBondContact O-N 3.33Å; V109-S113 VanDerWaalsContact O-CB 3.32Å; V109-S113 WeakPolarHBondContact O-CB 3.28Å; V109-S113 PolarHBondContact O-N 3.15Å; V109-S113 PolarHBondContact O-OG 3.39Å; V109-V466 HydrophobicContact CB-CG2 4.24Å; V109-V466 HydrophobicContact CG1-CG2 3.94Å
110	F	98.8	Very high	96.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.4	-47.7	178.8	-171.7	-138.2	0	0	0	112.2	F106 S108 L112 S113 L114 F459 L463 V466 L554 A557 V558	F106-F110 HydrophobicContact CZ-CD1 4.37Å; F106-F110 VanDerWaalsContact O-CB 3.28Å; F106-F110 WeakPolarHBondContact O-CB 3.34Å; F106-F110 PolarHBondContact O-N 2.81Å; S108-F110 VanDerWaalsContact C-N 3.35Å; F110-L112 PolarHBondContact O-N 2.65Å; F110-S113 PolarHBondContact O-N 3.04Å; F110-L114 HydrophobicContact CD1-CD1 4.28Å; F110-L114 HydrophobicContact CD2-CD1 4.4Å; F110-L114 HydrophobicContact CD2-CG 4.28Å; F110-L114 HydrophobicContact CE1-CD1 3.94Å; F110-L114 HydrophobicContact CE2-CD1 4.09Å; F110-L114 HydrophobicContact CE2-CD2 4.06Å; F110-L114 HydrophobicContact CE2-CG 3.96Å; F110-L114 HydrophobicContact CG-CD1 4.48Å; F110-L114 HydrophobicContact CZ-CD1 3.84Å; F110-L114 HydrophobicContact CZ-CD2 4.19Å; F110-L114 HydrophobicContact CZ-CG 4.18Å; F110-L114 WeakPolarHBondContact O-CG 3.35Å; F110-L114 PolarHBondContact O-N 3.17Å; F110-F459 HydrophobicContact CE1-CE2 4.5Å; F110-F459 HydrophobicContact CE1-CZ 4.32Å; F110-F459 HydrophobicContact CZ-CD2 4.35Å; F110-F459 HydrophobicContact CZ-CE1 4.07Å; F110-F459 AromaticContact CZ-CE2 3.84Å; F110-F459 HydrophobicContact CZ-CE2 3.84Å; F110-F459 AromaticContact CZ-CZ 3.68Å; F110-F459 HydrophobicContact CZ-CZ 3.68Å; F110-L463 HydrophobicContact CD2-CD2 4.08Å; F110-L463 HydrophobicContact CD2-CG 4.37Å; F110-L463 HydrophobicContact CE1-CD2 4.18Å; F110-L463 HydrophobicContact CE2-CB 4.39Å; F110-L463 HydrophobicContact CE2-CD2 3.63Å; F110-L463 HydrophobicContact CE2-CG 3.62Å; F110-L463 HydrophobicContact CZ-CD2 3.69Å; F110-L463 HydrophobicContact CZ-CG 3.9Å; F110-V466 HydrophobicContact CB-CG2 3.81Å; F110-V466 HydrophobicContact CD2-CG2 4.38Å; F110-V466 HydrophobicContact CG-CG2 4.48Å; F110-L554 HydrophobicContact CD1-CD1 3.99Å; F110-L554 HydrophobicContact CE1-CD1 3.42Å; F110-L554 VanDerWaalsContact CE1-CD1 3.42Å; F110-L554 HydrophobicContact CE1-CG 4.44Å; F110-L554 HydrophobicContact CZ-CD1 4.18Å; F110-A557 HydrophobicContact CB-CB 4.13Å; F110-A557 HydrophobicContact CD1-CB 3.56Å; F110-A557 HydrophobicContact CE1-CB 4.41Å; F110-A557 HydrophobicContact CG-CB 4.25Å; F110-V558 HydrophobicContact CE1-CG2 3.65Å; F110-V558 HydrophobicContact CZ-CG2 4.23Å
111	C	98.7	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.3	-46.5	177.1	178.2	0	0	0	0	112.1	A107 S108 L114 I115 A557	A107-C111 WeakPolarHBondContact O-CB 3.45Å; A107-C111 PolarHBondContact O-N 2.97Å; S108-C111 PolarHBondContact O-N 2.91Å; C111-L114 PolarHBondContact O-N 3.33Å; C111-I115 WeakPolarHBondContact O-CG1 3.37Å; C111-I115 PolarHBondContact O-N 3.27Å; C111-A557 HydrophobicContact CB-CB 4.04Å
112	L	98.5	Very high	95.9	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-72.1	-33.8	-178.1	-68.7	166.2	0	0	0	111.8	L38 M41 K42 L45 I89 S108 V109 F110 I115 E116	L38-L112 HydrophobicContact CB-CD2 4.22Å; L38-L112 HydrophobicContact CD2-CD2 4.01Å; M41-L112 HydrophobicContact CB-CD1 4.27Å; M41-L112 HydrophobicContact CG-CD1 3.93Å; M41-L112 HydrophobicContact SD-CD1 4.4Å; K42-L112 HydrophobicContact CB-CB 3.91Å; K42-L112 HydrophobicContact CB-CD1 3.83Å; K42-L112 HydrophobicContact CB-CG 4.44Å; K42-L112 HydrophobicContact CD-CB 4.13Å; K42-L112 HydrophobicContact CG-CB 4.06Å; L45-L112 HydrophobicContact CD1-CD1 4.4Å; I89-L112 HydrophobicContact CD1-CD2 4.03Å; S108-L112 WeakPolarHBondContact O-CB 3.18Å; S108-L112 WeakPolarHBondContact O-CD1 3.11Å; S108-L112 VanDerWaalsContact O-CG 3.29Å; S108-L112 WeakPolarHBondContact O-CG 3.41Å; S108-L112 PolarHBondContact O-N 2.98Å; V109-L112 PolarHBondContact O-N 3.33Å; F110-L112 PolarHBondContact O-N 2.65Å; L112-I115 PolarHBondContact O-N 3.26Å; L112-E116 WeakPolarHBondContact O-CB 3.42Å; L112-E116 PolarHBondContact O-N 3.22Å
113	S	98.2	Very high	95.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-42.7	171.9	-68.7	0	0	0	0	112.3	K42 V109 F110 I115 E116 E117 S462 S465	K42-S113 VanDerWaalsContact CE-OG 3.23Å; K42-S113 WeakPolarHBondContact CE-OG 3.4Å; K42-S113 PolarHBondContact NZ-OG 3.4Å; V109-S113 VanDerWaalsContact O-CB 3.32Å; V109-S113 WeakPolarHBondContact O-CB 3.28Å; V109-S113 PolarHBondContact O-N 3.15Å; V109-S113 PolarHBondContact O-OG 3.39Å; F110-S113 PolarHBondContact O-N 3.04Å; S113-I115 VanDerWaalsContact C-N 3.31Å; S113-I115 PolarHBondContact O-N 3.11Å; S113-E116 PolarHBondContact O-N 3.26Å; S113-E117 WeakPolarHBondContact O-CB 3.19Å; S113-E117 WeakPolarHBondContact O-CG 2.99Å; S113-E117 PolarHBondContact O-N 3.43Å; S113-S462 PolarHBondContact O-OG 3.45Å; S113-S465 PolarHBondContact OG-OG 3.39Å; S113-S465 VanDerWaalsContact OG-OG 3.08Å
114	L	98.3	Very high	95.6	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-42	175.5	-73	169	0	0	0	111.9	F110 C111 A118 F459 S462 V558 A561	F110-L114 HydrophobicContact CD1-CD1 4.28Å; F110-L114 HydrophobicContact CD2-CD1 4.4Å; F110-L114 HydrophobicContact CD2-CG 4.28Å; F110-L114 HydrophobicContact CE1-CD1 3.94Å; F110-L114 HydrophobicContact CE2-CD1 4.09Å; F110-L114 HydrophobicContact CE2-CD2 4.06Å; F110-L114 HydrophobicContact CE2-CG 3.96Å; F110-L114 HydrophobicContact CG-CD1 4.48Å; F110-L114 HydrophobicContact CZ-CD1 3.84Å; F110-L114 HydrophobicContact CZ-CD2 4.19Å; F110-L114 HydrophobicContact CZ-CG 4.18Å; F110-L114 WeakPolarHBondContact O-CG 3.35Å; F110-L114 PolarHBondContact O-N 3.17Å; C111-L114 PolarHBondContact O-N 3.33Å; L114-A118 WeakPolarHBondContact O-CB 3.44Å; L114-A118 PolarHBondContact O-N 3.44Å; L114-F459 HydrophobicContact CD2-CB 4.46Å; L114-F459 HydrophobicContact CD2-CD2 3.69Å; L114-F459 HydrophobicContact CD2-CE2 4.32Å; L114-F459 HydrophobicContact CD2-CG 4.29Å; L114-S462 WeakPolarHBondContact CA-OG 3.38Å; L114-S462 PolarHBondContact N-OG 2.94Å; L114-V558 HydrophobicContact CD1-CB 4.48Å; L114-V558 HydrophobicContact CD1-CG2 3.9Å; L114-A561 HydrophobicContact CB-CB 3.84Å; L114-A561 HydrophobicContact CD1-CB 4.05Å
115	I	97.6	Very high	95.4	Very high	16 Å²	16	33 Å²	33	8%	0.082	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-41.5	177	-63.9	161.7	0	0	0	110.8	L29 L38 I89 C111 L112 S113 G119 A561 V564	L29-I115 HydrophobicContact CD2-CG2 4.45Å; L38-I115 HydrophobicContact CD1-CG2 4.15Å; I89-I115 HydrophobicContact CD1-CD1 3.93Å; C111-I115 WeakPolarHBondContact O-CG1 3.37Å; C111-I115 PolarHBondContact O-N 3.27Å; L112-I115 PolarHBondContact O-N 3.26Å; S113-I115 VanDerWaalsContact C-N 3.31Å; S113-I115 PolarHBondContact O-N 3.11Å; I115-G119 PolarHBondContact O-N 3.3Å; I115-A561 HydrophobicContact CD1-CB 4.46Å; I115-A561 HydrophobicContact CG1-CB 3.98Å; I115-V564 HydrophobicContact CD1-CB 4.01Å; I115-V564 HydrophobicContact CD1-CG1 3.82Å; I115-V564 HydrophobicContact CD1-CG2 4.28Å; I115-V564 HydrophobicContact CG1-CB 4.49Å; I115-V564 HydrophobicContact CG1-CG1 4.29Å
116	E	96.1	Very high	95.3	Very high	50 Å²	50	36.2 Å²	36.2	23%	0.234	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-48.2	179	-176	175.8	-166.5	0	0	112.2	K42 L112 S113 A118 G119 R120	K42-E116 WeakPolarHBondContact CD-OE2 3.5Å; K42-E116 IonicContact NZ-OE2 3.63Å; K42-E116 PolarHBondContact NZ-OE2 3.45Å; L112-E116 WeakPolarHBondContact O-CB 3.42Å; L112-E116 PolarHBondContact O-N 3.22Å; S113-E116 PolarHBondContact O-N 3.26Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 3.46Å; E116-G119 PolarHBondContact O-N 3.45Å; E116-G119 VanDerWaalsContact O-N 3.09Å; E116-R120 PolarHBondContact O-N 2.92Å; E116-R120 IonicContact OE1-CZ 3.64Å; E116-R120 IonicContact OE1-NE 3.77Å; E116-R120 IonicContact OE1-NH2 3.91Å; E116-R120 PolarHBondContact OE1-NH2 3.27Å
117	E	95.4	Very high	95.1	Very high	20 Å²	20	36.3 Å²	36.3	9%	0.093	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-37.9	177.5	-69.4	-58.5	126.8	0	0	111.1	S113 G119 R120 C121 A458	S113-E117 WeakPolarHBondContact O-CB 3.19Å; S113-E117 WeakPolarHBondContact O-CG 2.99Å; S113-E117 PolarHBondContact O-N 3.43Å; E117-G119 PolarHBondContact O-N 2.79Å; E117-R120 WeakPolarHBondContact O-CA 3.5Å; E117-R120 WeakPolarHBondContact O-CB 3.35Å; E117-R120 PolarHBondContact O-N 2.78Å; E117-R120 IonicContact OE1-CZ 3.82Å; E117-R120 IonicContact OE1-NE 2.85Å; E117-R120 IonicContact OE1-NH1 3.77Å; E117-R120 PolarHBondContact OE1-NH1 2.81Å; E117-C121 PolarHBondContact O-N 3.32Å; E117-C121 PolarHBondContact O-SG 3.01Å; E117-A458 HydrophobicContact CB-CB 3.98Å
118	A	94.4	Very high	95.1	Very high	9 Å²	9	36.6 Å²	36.6	7%	0.074	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-29.7	173.3	0	0	0	0	0	113.5	L114 E116 I128 L565	L114-A118 WeakPolarHBondContact O-CB 3.44Å; L114-A118 PolarHBondContact O-N 3.44Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 3.46Å; A118-I128 HydrophobicContact CB-CD1 3.75Å; A118-I128 HydrophobicContact CB-CG2 4.05Å; A118-L565 HydrophobicContact CB-CD1 3.92Å; A118-L565 HydrophobicContact CB-CD2 3.71Å; A118-L565 HydrophobicContact CB-CG 4.48Å
119	G	91.1	Very high	95	Very high	69 Å²	69	37.5 Å²	37.5	71%	0.711	21%	0.207	S	C	*	.	H	α-helix	trans	-77.4	-18.8	173.2	0	0	0	0	0	114.1	I115 E116 E117	I115-G119 PolarHBondContact O-N 3.3Å; E116-G119 PolarHBondContact O-N 3.45Å; E116-G119 VanDerWaalsContact O-N 3.09Å; E117-G119 PolarHBondContact O-N 2.79Å
120	R	90.6	Very high	95	Very high	158 Å²	158	42.3 Å²	42.3	60%	0.596	23%	0.226	S	C	*	.	H	α-helix	trans	-90.2	-27.7	175.7	-64.7	172.2	-179	-176	-4.8	112.2	E116 E117	E116-R120 PolarHBondContact O-N 2.92Å; E116-R120 IonicContact OE1-CZ 3.64Å; E116-R120 IonicContact OE1-NE 3.77Å; E116-R120 IonicContact OE1-NH2 3.91Å; E116-R120 PolarHBondContact OE1-NH2 3.27Å; E117-R120 WeakPolarHBondContact O-CA 3.5Å; E117-R120 WeakPolarHBondContact O-CB 3.35Å; E117-R120 PolarHBondContact O-N 2.78Å; E117-R120 IonicContact OE1-CZ 3.82Å; E117-R120 IonicContact OE1-NE 2.85Å; E117-R120 IonicContact OE1-NH1 3.77Å; E117-R120 PolarHBondContact OE1-NH1 2.81Å
121	C	88.6	Confident	94.9	Very high	26 Å²	26	42.3 Å²	42.3	18%	0.176	23%	0.226	C	C	.	.	S	Bend	trans	-71.4	126.7	173.9	-67.4	0	0	0	0	110.9	E117 L123 I128 A458	E117-C121 PolarHBondContact O-N 3.32Å; E117-C121 PolarHBondContact O-SG 3.01Å; C121-L123 HydrophobicContact CB-CB 4.26Å; C121-L123 HydrophobicContact CB-CD1 4.25Å; C121-L123 HydrophobicContact CB-CG 4.11Å; C121-L123 PolarHBondContact O-N 2.78Å; C121-I128 HydrophobicContact CB-CD1 4.2Å; C121-A458 VanDerWaalsContact SG-CB 3.55Å
122	D	87.4	Confident	94.9	Very high	172 Å²	172	42.5 Å²	42.5	92%	0.92	23%	0.226	S	C	*	.			trans	-78.9	54.3	170	-165.5	24.5	0	0	0	111
123	L	92.6	Very high	94.9	Very high	25 Å²	25	47.1 Å²	47.1	13%	0.131	25%	0.246	C	C	.	.	S	Bend	trans	-124.2	150.6	-177	-62.7	-178.4	0	0	0	110.4	C121 K125 I128 E451 L454 A455	C121-L123 HydrophobicContact CB-CB 4.26Å; C121-L123 HydrophobicContact CB-CD1 4.25Å; C121-L123 HydrophobicContact CB-CG 4.11Å; C121-L123 PolarHBondContact O-N 2.78Å; L123-K125 PolarHBondContact O-N 2.79Å; L123-I128 HydrophobicContact CB-CD1 4.06Å; L123-I128 HydrophobicContact CB-CG1 3.94Å; L123-I128 HydrophobicContact CD1-CG1 4.35Å; L123-E451 WeakPolarHBondContact CD1-O 3.33Å; L123-E451 HydrophobicContact CD2-CB 3.84Å; L123-E451 HydrophobicContact CD2-CG 3.6Å; L123-L454 HydrophobicContact CD1-CB 3.97Å; L123-L454 HydrophobicContact CD2-CD1 4.42Å; L123-A455 HydrophobicContact CD1-CB 3.89Å
124	S	92.6	Very high	94.8	Very high	61 Å²	61	49.8 Å²	49.8	43%	0.427	26%	0.259	S	S	.	.			trans	-64.4	136.6	172.1	83.6	0	0	0	0	110.5	N126 V127 I128	S124-N126 PolarHBondContact O-N 2.92Å; S124-N126 VanDerWaalsContact O-N 3.11Å; S124-V127 WeakPolarHBondContact O-CB 3.49Å; S124-V127 PolarHBondContact O-N 2.79Å; S124-V127 VanDerWaalsContact OG-CG2 3.25Å; S124-V127 WeakPolarHBondContact OG-CG2 3.45Å; S124-V127 PolarHBondContact OG-N 3.49Å; S124-I128 PolarHBondContact O-N 2.88Å
125	K	93.9	Very high	94.8	Very high	60 Å²	60	49.6 Å²	49.6	26%	0.261	26%	0.257	S	S	.	.	H	α-helix	trans	-54.4	-34.4	178.4	-60.9	-177.3	-174	175.9	0	112.3	L123 V127 I128 I129 L565	L123-K125 PolarHBondContact O-N 2.79Å; K125-V127 PolarHBondContact O-N 2.77Å; K125-I128 PolarHBondContact O-N 2.85Å; K125-I129 WeakPolarHBondContact O-CB 3.45Å; K125-I129 WeakPolarHBondContact O-CD1 3.35Å; K125-I129 WeakPolarHBondContact O-CG1 3.45Å; K125-I129 PolarHBondContact O-N 3.11Å; K125-L565 VanDerWaalsContact CD-O 3.3Å; K125-L565 WeakPolarHBondContact CD-O 3.4Å
126	N	94.3	Very high	94.9	Very high	80 Å²	80	49.5 Å²	49.5	43%	0.428	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-38	176.3	-70.4	-9	0	0	0	113.1	S124 R130	S124-N126 PolarHBondContact O-N 2.92Å; S124-N126 VanDerWaalsContact O-N 3.11Å; N126-R130 WeakPolarHBondContact O-CG 3.37Å; N126-R130 PolarHBondContact O-N 3.04Å; N126-R130 PolarHBondContact O-NE 3.13Å
127	V	95.8	Very high	94.9	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.036	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-49.2	174.7	170.6	0	0	0	0	109.3	S124 K125 I129 R130 V131 C447 E451	S124-V127 WeakPolarHBondContact O-CB 3.49Å; S124-V127 PolarHBondContact O-N 2.79Å; S124-V127 VanDerWaalsContact OG-CG2 3.25Å; S124-V127 WeakPolarHBondContact OG-CG2 3.45Å; S124-V127 PolarHBondContact OG-N 3.49Å; K125-V127 PolarHBondContact O-N 2.77Å; V127-I129 VanDerWaalsContact C-N 3.32Å; V127-I129 PolarHBondContact O-N 2.95Å; V127-R130 PolarHBondContact O-N 3.31Å; V127-R130 VanDerWaalsContact O-N 3.14Å; V127-V131 HydrophobicContact CG1-CG2 4.24Å; V127-V131 WeakPolarHBondContact O-CG2 3.32Å; V127-V131 PolarHBondContact O-N 3.23Å; V127-C447 HydrophobicContact CG1-CB 3.77Å; V127-C447 HydrophobicContact CG2-CB 4.17Å; V127-E451 HydrophobicContact CG1-CB 4.19Å
128	I	96.7	Very high	95	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-55.7	-47.2	178.4	-60.8	172.7	0	0	0	111	A118 C121 L123 S124 K125 R130 V131 N132 L565	A118-I128 HydrophobicContact CB-CD1 3.75Å; A118-I128 HydrophobicContact CB-CG2 4.05Å; C121-I128 HydrophobicContact CB-CD1 4.2Å; L123-I128 HydrophobicContact CB-CD1 4.06Å; L123-I128 HydrophobicContact CB-CG1 3.94Å; L123-I128 HydrophobicContact CD1-CG1 4.35Å; S124-I128 PolarHBondContact O-N 2.88Å; K125-I128 PolarHBondContact O-N 2.85Å; I128-R130 PolarHBondContact O-N 3.31Å; I128-V131 PolarHBondContact O-N 3.24Å; I128-N132 VanDerWaalsContact O-CB 3.3Å; I128-N132 WeakPolarHBondContact O-CB 3.34Å; I128-N132 PolarHBondContact O-N 2.91Å; I128-L565 HydrophobicContact CG2-CD1 4.03Å
129	I	97.4	Very high	95.2	Very high	18 Å²	18	50.4 Å²	50.4	9%	0.092	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-45.6	178.6	-70.5	162	0	0	0	111.6	K125 V127 K133 N562 L565 D566	K125-I129 WeakPolarHBondContact O-CB 3.45Å; K125-I129 WeakPolarHBondContact O-CD1 3.35Å; K125-I129 WeakPolarHBondContact O-CG1 3.45Å; K125-I129 PolarHBondContact O-N 3.11Å; V127-I129 VanDerWaalsContact C-N 3.32Å; V127-I129 PolarHBondContact O-N 2.95Å; I129-K133 HydrophobicContact CG2-CD 4.46Å; I129-K133 WeakPolarHBondContact O-CG 3.28Å; I129-K133 PolarHBondContact O-N 2.82Å; I129-K133 VanDerWaalsContact O-N 3.1Å; I129-N562 HydrophobicContact CG1-CB 4.15Å; I129-N562 HydrophobicContact CG2-CB 4.07Å; I129-L565 HydrophobicContact CD1-CB 3.98Å; I129-L565 HydrophobicContact CG1-CB 4.06Å; I129-L565 HydrophobicContact CG1-CD1 4.36Å; I129-D566 HydrophobicContact CD1-CB 3.96Å
130	R	97.4	Very high	95.4	Very high	102 Å²	102	48.3 Å²	48.3	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-44.1	179.3	-73.9	-175.6	-65	172.5	9.2	111.6	N126 V127 I128 K133 H134 L445 G446	N126-R130 WeakPolarHBondContact O-CG 3.37Å; N126-R130 PolarHBondContact O-N 3.04Å; N126-R130 PolarHBondContact O-NE 3.13Å; V127-R130 PolarHBondContact O-N 3.31Å; V127-R130 VanDerWaalsContact O-N 3.14Å; I128-R130 PolarHBondContact O-N 3.31Å; R130-K133 PolarHBondContact O-N 2.68Å; R130-H134 PolarHBondContact O-N 2.92Å; R130-H134 VanDerWaalsContact O-N 3.14Å; R130-L445 HydrophobicContact CB-CD2 4.38Å; R130-L445 PolarHBondContact NE-O 3.23Å; R130-L445 PolarHBondContact NH1-O 3.26Å; R130-L445 PolarHBondContact NH2-O 3.29Å; R130-L445 VanDerWaalsContact NH2-O 3.13Å; R130-G446 PolarHBondContact NH2-O 3.35Å
131	V	97.6	Very high	95.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-47.9	177.7	177.6	0	0	0	0	110.6	V127 I128 K133 H134 L135 L445 Y452 A455	V127-V131 HydrophobicContact CG1-CG2 4.24Å; V127-V131 WeakPolarHBondContact O-CG2 3.32Å; V127-V131 PolarHBondContact O-N 3.23Å; I128-V131 PolarHBondContact O-N 3.24Å; V131-K133 VanDerWaalsContact C-N 3.28Å; V131-K133 PolarHBondContact O-N 3.02Å; V131-H134 WeakPolarHBondContact O-CB 3.4Å; V131-H134 PolarHBondContact O-N 2.82Å; V131-L135 HydrophobicContact CG1-CD1 3.69Å; V131-L135 HydrophobicContact CG1-CG 4Å; V131-L135 WeakPolarHBondContact O-CG 3.4Å; V131-L135 PolarHBondContact O-N 3.21Å; V131-L445 HydrophobicContact CG2-CD1 4.25Å; V131-Y452 HydrophobicContact CG1-CD2 4.02Å; V131-Y452 HydrophobicContact CG1-CE2 4.02Å; V131-Y452 HydrophobicContact CG2-CD2 3.92Å; V131-A455 HydrophobicContact CB-CB 3.83Å; V131-A455 HydrophobicContact CG1-CB 3.69Å; V131-A455 HydrophobicContact CG2-CB 3.97Å
132	N	98.2	Very high	96	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-54.3	-42.6	176.8	-77.2	-8.6	0	0	0	112.5	I128 L135 L136 V558 N562	I128-N132 VanDerWaalsContact O-CB 3.3Å; I128-N132 WeakPolarHBondContact O-CB 3.34Å; I128-N132 PolarHBondContact O-N 2.91Å; N132-L135 PolarHBondContact O-N 2.65Å; N132-L136 WeakPolarHBondContact O-CB 3.3Å; N132-L136 PolarHBondContact O-N 2.86Å; N132-V558 HydrophobicContact CB-CG1 4.02Å; N132-N562 WeakPolarHBondContact CB-OD1 3.11Å; N132-N562 PolarHBondContact ND2-OD1 2.58Å
133	K	97.9	Very high	96.4	Very high	102 Å²	102	34.7 Å²	34.7	44%	0.443	19%	0.186	S	C	.	.	H	α-helix	trans	-64.1	-42.5	176.4	-74.6	-178	176.3	-174.8	0	112.3	I129 R130 V131 S137	I129-K133 HydrophobicContact CG2-CD 4.46Å; I129-K133 WeakPolarHBondContact O-CG 3.28Å; I129-K133 PolarHBondContact O-N 2.82Å; I129-K133 VanDerWaalsContact O-N 3.1Å; R130-K133 PolarHBondContact O-N 2.68Å; V131-K133 VanDerWaalsContact C-N 3.28Å; V131-K133 PolarHBondContact O-N 3.02Å; K133-S137 PolarHBondContact O-N 3.18Å; K133-S137 VanDerWaalsContact O-N 3.1Å
134	H	97.8	Very high	96.5	Very high	58 Å²	58	38.1 Å²	38.1	27%	0.269	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-46.4	175.9	177.4	70.5	0	0	0	111.6	R130 V131 L136 S137 L138 S441 L445 Y452	R130-H134 PolarHBondContact O-N 2.92Å; R130-H134 VanDerWaalsContact O-N 3.14Å; V131-H134 WeakPolarHBondContact O-CB 3.4Å; V131-H134 PolarHBondContact O-N 2.82Å; H134-L136 PolarHBondContact O-N 2.76Å; H134-S137 WeakPolarHBondContact O-CB 3.41Å; H134-S137 PolarHBondContact O-N 3.3Å; H134-S137 VanDerWaalsContact O-N 3.14Å; H134-L138 PolarHBondContact O-N 3.22Å; H134-S441 PolarHBondContact NE2-OG 3.47Å; H134-L445 HydrophobicContact CB-CD1 4Å; H134-L445 HydrophobicContact CB-CD2 4Å; H134-Y452 AromaticContact CD2-CE2 3.95Å
135	L	98.1	Very high	96.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-34.5	-180	-62.2	-178.6	0	0	0	112.7	V131 N132 S137 L138 C139 V430 A456 F459	V131-L135 HydrophobicContact CG1-CD1 3.69Å; V131-L135 HydrophobicContact CG1-CG 4Å; V131-L135 WeakPolarHBondContact O-CG 3.4Å; V131-L135 PolarHBondContact O-N 3.21Å; N132-L135 PolarHBondContact O-N 2.65Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-L138 HydrophobicContact CD2-CD2 4.19Å; L135-L138 WeakPolarHBondContact O-CB 3.43Å; L135-L138 PolarHBondContact O-N 3.09Å; L135-C139 PolarHBondContact O-N 2.87Å; L135-C139 PolarHBondContact O-SG 3.39Å; L135-C139 VanDerWaalsContact O-SG 3.36Å; L135-V430 HydrophobicContact CD1-CG1 4.08Å; L135-V430 HydrophobicContact CD2-CG1 3.75Å; L135-V430 HydrophobicContact CG-CG1 4.36Å; L135-A456 HydrophobicContact CD1-CB 3.88Å; L135-F459 HydrophobicContact CB-CD1 4.25Å; L135-F459 HydrophobicContact CB-CD2 4.19Å; L135-F459 HydrophobicContact CB-CE1 4.19Å; L135-F459 HydrophobicContact CB-CE2 4.12Å; L135-F459 HydrophobicContact CB-CG 4.25Å; L135-F459 HydrophobicContact CB-CZ 4.13Å; L135-F459 HydrophobicContact CD1-CB 3.69Å; L135-F459 HydrophobicContact CD1-CD1 4.17Å; L135-F459 HydrophobicContact CD1-CD2 4.24Å; L135-F459 HydrophobicContact CD1-CG 3.8Å
136	L	98.4	Very high	96	Very high	14 Å²	14	45.1 Å²	45.1	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-46.3	169.2	174.5	65.5	0	0	0	111.2	N132 H134 L138 C139 T140 L554 E555 V558 E559	N132-L136 WeakPolarHBondContact O-CB 3.3Å; N132-L136 PolarHBondContact O-N 2.86Å; H134-L136 PolarHBondContact O-N 2.76Å; L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 PolarHBondContact O-N 3.11Å; L136-C139 PolarHBondContact O-N 2.67Å; L136-T140 HydrophobicContact CD1-CG2 3.96Å; L136-T140 HydrophobicContact CG-CG2 4.42Å; L136-T140 WeakPolarHBondContact O-CB 3.36Å; L136-T140 WeakPolarHBondContact O-CG2 3.38Å; L136-T140 PolarHBondContact O-N 3.26Å; L136-T140 PolarHBondContact O-OG1 3.06Å; L136-L554 HydrophobicContact CD1-CB 4.48Å; L136-L554 HydrophobicContact CD1-CD2 3.86Å; L136-L554 HydrophobicContact CD1-CG 3.75Å; L136-E555 HydrophobicContact CD1-CG 4.08Å; L136-E555 HydrophobicContact CD2-CG 4.37Å; L136-V558 HydrophobicContact CB-CB 4.41Å; L136-V558 HydrophobicContact CB-CG1 4.05Å; L136-V558 HydrophobicContact CB-CG2 4.36Å; L136-V558 HydrophobicContact CD1-CB 4.37Å; L136-V558 HydrophobicContact CD1-CG2 4.16Å; L136-V558 HydrophobicContact CD2-CB 4.05Å; L136-V558 HydrophobicContact CD2-CG1 4.05Å; L136-E559 HydrophobicContact CD2-CG 4.5Å
137	S	97.6	Very high	95.5	Very high	74 Å²	74	46.9 Å²	46.9	52%	0.517	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-38.5	176.2	-171.5	0	0	0	0	111.7	K133 H134 L135 T140 A141	K133-S137 PolarHBondContact O-N 3.18Å; K133-S137 VanDerWaalsContact O-N 3.1Å; H134-S137 WeakPolarHBondContact O-CB 3.41Å; H134-S137 PolarHBondContact O-N 3.3Å; H134-S137 VanDerWaalsContact O-N 3.14Å; L135-S137 VanDerWaalsContact C-N 3.34Å; S137-T140 WeakPolarHBondContact CA-OG1 3.26Å; S137-T140 PolarHBondContact O-OG1 2.8Å; S137-T140 VanDerWaalsContact O-OG1 3.09Å; S137-A141 WeakPolarHBondContact O-CB 3.31Å; S137-A141 PolarHBondContact O-N 2.89Å
138	L	96.7	Very high	95.2	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-47.9	177.5	179.7	62.5	0	0	0	111.7	H134 L135 L136 H142 Y429 V430 Q433	H134-L138 PolarHBondContact O-N 3.22Å; L135-L138 HydrophobicContact CD2-CD2 4.19Å; L135-L138 WeakPolarHBondContact O-CB 3.43Å; L135-L138 PolarHBondContact O-N 3.09Å; L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 PolarHBondContact O-N 3.11Å; L138-H142 WeakPolarHBondContact O-CB 3.49Å; L138-H142 PolarHBondContact O-N 2.91Å; L138-Y429 HydrophobicContact CD1-CE1 3.84Å; L138-Y429 HydrophobicContact CD2-CE1 4.39Å; L138-Y429 HydrophobicContact CG-CE1 3.79Å; L138-V430 HydrophobicContact CD2-CG2 4.36Å; L138-Q433 HydrophobicContact CD1-CB 4.47Å; L138-Q433 HydrophobicContact CD1-CG 4.4Å; L138-Q433 HydrophobicContact CD2-CB 3.85Å
139	C	97.8	Very high	94.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-47.6	176.8	-71.4	0	0	0	0	112.2	L135 L136 H142 L143 L426 V430 L554	L135-C139 PolarHBondContact O-N 2.87Å; L135-C139 PolarHBondContact O-SG 3.39Å; L135-C139 VanDerWaalsContact O-SG 3.36Å; L136-C139 PolarHBondContact O-N 2.67Å; C139-H142 PolarHBondContact O-N 2.74Å; C139-L143 WeakPolarHBondContact O-CG 3.36Å; C139-L143 PolarHBondContact O-N 2.72Å; C139-L426 HydrophobicContact CB-CD2 4.18Å; C139-V430 WeakPolarHBondContact SG-CG2 3.29Å; C139-L554 HydrophobicContact CB-CD2 3.72Å
140	T	96.8	Very high	94.4	Very high	25 Å²	25	46.5 Å²	46.5	15%	0.153	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-42	-179.2	49.8	0	0	0	0	111.4	L136 S137 H142 L143 Q144 V551 L554 E555	L136-T140 HydrophobicContact CD1-CG2 3.96Å; L136-T140 HydrophobicContact CG-CG2 4.42Å; L136-T140 WeakPolarHBondContact O-CB 3.36Å; L136-T140 WeakPolarHBondContact O-CG2 3.38Å; L136-T140 PolarHBondContact O-N 3.26Å; L136-T140 PolarHBondContact O-OG1 3.06Å; S137-T140 WeakPolarHBondContact CA-OG1 3.26Å; S137-T140 PolarHBondContact O-OG1 2.8Å; S137-T140 VanDerWaalsContact O-OG1 3.09Å; T140-H142 PolarHBondContact O-N 2.83Å; T140-L143 PolarHBondContact O-N 3.41Å; T140-Q144 VanDerWaalsContact O-CG 3.26Å; T140-Q144 WeakPolarHBondContact O-CG 3.47Å; T140-Q144 PolarHBondContact O-N 3.12Å; T140-V551 HydrophobicContact CG2-CG1 4.42Å; T140-L554 HydrophobicContact CG2-CD2 4.29Å; T140-E555 HydrophobicContact CG2-CG 4.25Å
141	A	96.6	Very high	94.2	Very high	54 Å²	54	43.2 Å²	43.2	45%	0.446	23%	0.229	S	C	.	.	H	α-helix	trans	-60	-45.3	173.6	0	0	0	0	0	111.6	S137 Q144 Q145	S137-A141 WeakPolarHBondContact O-CB 3.31Å; S137-A141 PolarHBondContact O-N 2.89Å; A141-Q144 PolarHBondContact O-N 3.26Å; A141-Q145 WeakPolarHBondContact O-CG 3.4Å; A141-Q145 PolarHBondContact O-N 3.34Å
142	H	95.4	Very high	94	Very high	15 Å²	15	44.5 Å²	44.5	7%	0.069	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-45	179.4	-176.4	53.9	0	0	0	113	L138 C139 T140 Q144 Q145 C148 H425 Y429	L138-H142 WeakPolarHBondContact O-CB 3.49Å; L138-H142 PolarHBondContact O-N 2.91Å; C139-H142 PolarHBondContact O-N 2.74Å; T140-H142 PolarHBondContact O-N 2.83Å; H142-Q144 PolarHBondContact O-N 3.41Å; H142-Q145 PolarHBondContact ND1-OE1 3.19Å; H142-Q145 WeakPolarHBondContact O-CB 3.49Å; H142-Q145 PolarHBondContact O-N 3.38Å; H142-C148 WeakPolarHBondContact O-CB 3.48Å; H142-H425 AromaticContact CD2-NE2 3.72Å; H142-H425 AromaticContact NE2-CD2 3.79Å; H142-H425 AromaticContact NE2-CE1 3.94Å; H142-H425 AromaticContact NE2-NE2 2.92Å; H142-H425 PolarHBondContact NE2-NE2 3.12Å; H142-Y429 HydrophobicContact CB-CD1 4.07Å; H142-Y429 HydrophobicContact CB-CE1 3.48Å; H142-Y429 VanDerWaalsContact CB-CE1 3.48Å; H142-Y429 AromaticContact CD2-CD1 3.86Å; H142-Y429 AromaticContact CD2-CG 3.88Å; H142-Y429 AromaticContact CE1-CD2 3.97Å; H142-Y429 AromaticContact CE1-CE2 3.91Å; H142-Y429 AromaticContact CG-CD1 3.89Å; H142-Y429 AromaticContact CG-CE1 3.6Å; H142-Y429 AromaticContact CG-CE2 3.94Å; H142-Y429 AromaticContact CG-CZ 3.63Å; H142-Y429 AromaticContact ND1-CE2 3.66Å; H142-Y429 AromaticContact ND1-CZ 3.69Å
143	L	95.4	Very high	93.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-24.5	177.2	-67.8	173.4	0	0	0	113	C139 T140 K151 L416 L426 F547 V551	C139-L143 WeakPolarHBondContact O-CG 3.36Å; C139-L143 PolarHBondContact O-N 2.72Å; T140-L143 PolarHBondContact O-N 3.41Å; L143-K151 PolarHBondContact O-NZ 3.3Å; L143-L416 HydrophobicContact CD2-CD1 4.36Å; L143-L416 HydrophobicContact CD2-CD2 3.85Å; L143-L426 HydrophobicContact CD1-CD1 4.26Å; L143-L426 HydrophobicContact CD1-CD2 4.49Å; L143-L426 HydrophobicContact CD2-CD2 4.04Å; L143-L426 HydrophobicContact CG-CD2 4.1Å; L143-F547 HydrophobicContact CB-CE2 4.09Å; L143-F547 HydrophobicContact CB-CZ 4.46Å; L143-F547 VanDerWaalsContact O-CE2 3.26Å; L143-F547 WeakPolarHBondContact O-CE2 3.35Å; L143-V551 HydrophobicContact CD1-CG2 3.92Å
144	Q	93.5	Very high	93.3	Very high	98 Å²	98	45.3 Å²	45.3	46%	0.458	24%	0.242	S	C	.	.	H	α-helix	trans	-78.2	-21.7	176.1	-67.9	-66.2	-15.9	0	0	112.9	T140 A141 H142 K151	T140-Q144 VanDerWaalsContact O-CG 3.26Å; T140-Q144 WeakPolarHBondContact O-CG 3.47Å; T140-Q144 PolarHBondContact O-N 3.12Å; A141-Q144 PolarHBondContact O-N 3.26Å; H142-Q144 PolarHBondContact O-N 3.41Å; Q144-K151 PolarHBondContact O-NZ 2.97Å
145	Q	92.3	Very high	92.6	Very high	85 Å²	85	46.4 Å²	46.4	40%	0.397	25%	0.25	S	S	.	.	S	Bend	trans	-64	149.6	178.7	-61.7	175.4	-46.3	0	0	111.7	A141 H142 D147 K151	A141-Q145 WeakPolarHBondContact O-CG 3.4Å; A141-Q145 PolarHBondContact O-N 3.34Å; H142-Q145 PolarHBondContact ND1-OE1 3.19Å; H142-Q145 WeakPolarHBondContact O-CB 3.49Å; H142-Q145 PolarHBondContact O-N 3.38Å; Q145-D147 VanDerWaalsContact CB-OD1 3.29Å; Q145-D147 WeakPolarHBondContact CB-OD1 3.5Å; Q145-K151 WeakPolarHBondContact O-CD 3.42Å
146	E	84.7	Confident	91.9	Very high	182 Å²	182	50 Å²	50	85%	0.85	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-29.3	-180	-66.9	-170.5	165	0	0	112.6	C148	E146-C148 VanDerWaalsContact C-N 3.32Å
147	D	84.4	Confident	91.1	Very high	117 Å²	117	55.3 Å²	55.3	63%	0.626	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	9.3	-179.5	63.1	-22.4	0	0	0	113.4	Q145 G149	Q145-D147 VanDerWaalsContact CB-OD1 3.29Å; Q145-D147 WeakPolarHBondContact CB-OD1 3.5Å; D147-G149 PolarHBondContact O-N 3.32Å; D147-G149 VanDerWaalsContact O-N 3.13Å
148	C	88.7	Confident	90.4	Very high	5 Å²	5	54 Å²	54	3%	0.034	29%	0.294	C	S	.	.			trans	-61.7	115.4	176.4	-176.1	0	0	0	0	110.8	H142 E146 C150 K151	H142-C148 WeakPolarHBondContact O-CB 3.48Å; E146-C148 VanDerWaalsContact C-N 3.32Å; C148-C150 PolarHBondContact O-N 3.13Å; C148-K151 HydrophobicContact CB-CB 3.95Å; C148-K151 WeakPolarHBondContact O-CB 3.45Å; C148-K151 PolarHBondContact O-N 3.01Å
149	G	86.8	Confident	89.9	Confident	17 Å²	17	55.8 Å²	55.8	18%	0.175	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.2	-173.2	0	0	0	0	0	115.7	D147	D147-G149 PolarHBondContact O-N 3.32Å; D147-G149 VanDerWaalsContact O-N 3.13Å
150	C	91.4	Very high	89.5	Confident	1 Å²	1	60 Å²	60	1%	0.007	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	2.6	176.5	68.6	0	0	0	0	114.2	C148 L416 L417 H425	C148-C150 PolarHBondContact O-N 3.13Å; C150-L416 CarbonylContact O-C 3.44Å; C150-L416 VanDerWaalsContact O-CA 3.28Å; C150-L416 WeakPolarHBondContact O-CA 3.36Å; C150-L417 HydrophobicContact CB-CB 4.42Å; C150-L417 HydrophobicContact CB-CD1 4.46Å; C150-L417 PolarHBondContact O-N 3.47Å; C150-H425 HydrophobicContact CB-CB 4.24Å; C150-H425 VanDerWaalsContact SG-CD2 3.59Å
151	K	92.9	Very high	89.2	Confident	32 Å²	32	60.1 Å²	60.1	14%	0.139	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.6	179	-172.6	178.2	-177.6	170	0	111.3	L143 Q144 Q145 C148 C414 L416 F547	L143-K151 PolarHBondContact O-NZ 3.3Å; Q144-K151 PolarHBondContact O-NZ 2.97Å; Q145-K151 WeakPolarHBondContact O-CD 3.42Å; C148-K151 HydrophobicContact CB-CB 3.95Å; C148-K151 WeakPolarHBondContact O-CB 3.45Å; C148-K151 PolarHBondContact O-N 3.01Å; K151-C414 HydrophobicContact CG-CB 4.24Å; K151-L416 HydrophobicContact CB-CD2 4.36Å; K151-F547 HydrophobicContact CD-CE2 4.45Å
152	V	91.9	Very high	89.1	Confident	28 Å²	28	57.6 Å²	57.6	17%	0.17	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.9	-179.6	-177	0	0	0	0	109.4	C414 A415 L417 P541 L544	V152-C414 CarbonylContact O-C 3.55Å; V152-C414 VanDerWaalsContact O-CA 3.28Å; V152-C414 WeakPolarHBondContact O-CA 3.37Å; V152-C414 WeakPolarHBondContact O-CB 3.18Å; V152-A415 PolarHBondContact N-O 3.38Å; V152-A415 PolarHBondContact O-N 2.97Å; V152-L417 HydrophobicContact CG2-CD2 3.58Å; V152-L417 HydrophobicContact CG2-CG 4.11Å; V152-P541 HydrophobicContact CG1-CG 4.33Å; V152-P541 HydrophobicContact CG2-CG 4.46Å; V152-L544 HydrophobicContact CB-CD2 4.12Å; V152-L544 HydrophobicContact CG1-CD2 4.32Å; V152-L544 HydrophobicContact CG2-CD2 3.88Å
153	Q	91.4	Very high	89.2	Confident	111 Å²	111	58 Å²	58	52%	0.519	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.5	174	-66.5	-64	-19.3	0	0	110.5	P413	Q153-P413 PolarHBondContact OE1-O 2.87Å
154	L	90.2	Very high	89.2	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.052	32%	0.315	C	S	.	.			trans	-97.8	114.9	179.9	-61.4	177	0	0	0	109.8	L165 T409 P413 A415 L544	L154-L165 HydrophobicContact CD1-CD2 4.16Å; L154-T409 HydrophobicContact CD1-CG2 3.48Å; L154-T409 VanDerWaalsContact CD1-CG2 3.48Å; L154-P413 WeakPolarHBondContact CB-O 3.26Å; L154-P413 PolarHBondContact N-O 3.42Å; L154-A415 HydrophobicContact CD1-CB 4.11Å; L154-A415 HydrophobicContact CD2-CB 3.88Å; L154-A415 HydrophobicContact CG-CB 4.12Å; L154-L544 HydrophobicContact CD2-CD1 4.26Å
155	D	84	Confident	89.3	Confident	81 Å²	81	54 Å²	54	43%	0.433	29%	0.293	S	S	.	.			trans	-84.1	118.2	172.2	177.9	21.2	0	0	0	110.5	C157 S158	D155-C157 VanDerWaalsContact C-N 3.26Å; D155-C157 PolarHBondContact O-N 3.39Å; D155-C157 WeakPolarHBondContact OD1-CB 3.49Å; D155-C157 PolarHBondContact OD1-N 3.05Å; D155-C157 PolarHBondContact OD1-SG 3.4Å; D155-C157 VanDerWaalsContact OD1-SG 3.36Å; D155-S158 PolarHBondContact O-N 3.42Å; D155-S158 PolarHBondContact OD2-N 2.88Å
156	F	83.1	Confident	89.6	Confident	77 Å²	77	49.9 Å²	49.9	34%	0.338	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.9	174.9	-75.8	-92.6	0	0	0	113.5	S158 L162 F194 T409 L410 P413	F156-S158 VanDerWaalsContact C-N 3.27Å; F156-L162 HydrophobicContact CD1-CD1 4.05Å; F156-L162 HydrophobicContact CE1-CD1 4.32Å; F156-L162 HydrophobicContact CE1-CD2 4.19Å; F156-F194 HydrophobicContact CE1-CE1 4.19Å; F156-F194 HydrophobicContact CE1-CZ 4.27Å; F156-T409 WeakPolarHBondContact CZ-O 3.34Å; F156-T409 VanDerWaalsContact CZ-OG1 3.28Å; F156-T409 WeakPolarHBondContact CZ-OG1 3.4Å; F156-L410 HydrophobicContact CE1-CD2 3.91Å; F156-L410 HydrophobicContact CZ-CD2 4.18Å; F156-P413 HydrophobicContact CD2-CB 4.48Å; F156-P413 HydrophobicContact CE2-CB 3.8Å
157	C	82.4	Confident	90.2	Very high	125 Å²	125	45.7 Å²	45.7	85%	0.845	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.5	171.5	-51.3	0	0	0	0	111.6	D155	D155-C157 VanDerWaalsContact C-N 3.26Å; D155-C157 PolarHBondContact O-N 3.39Å; D155-C157 WeakPolarHBondContact OD1-CB 3.49Å; D155-C157 PolarHBondContact OD1-N 3.05Å; D155-C157 PolarHBondContact OD1-SG 3.4Å; D155-C157 VanDerWaalsContact OD1-SG 3.36Å
158	S	81.8	Confident	90.7	Very high	46 Å²	46	40.6 Å²	40.6	32%	0.322	22%	0.224	S	C	.	.			trans	-113.7	121.3	175.5	-178.9	0	0	0	0	110.8	D155 F156 Q160	D155-S158 PolarHBondContact O-N 3.42Å; D155-S158 PolarHBondContact OD2-N 2.88Å; F156-S158 VanDerWaalsContact C-N 3.27Å; S158-Q160 PolarHBondContact O-N 3.32Å; S158-Q160 PolarHBondContact OG-N 2.94Å
159	S	85.6	Confident	91.1	Very high	61 Å²	61	40.7 Å²	40.7	43%	0.427	22%	0.224	S	C	.	.	H	α-helix	trans	-69	-15.1	174.4	56.8	0	0	0	0	112.8	S161 L162 I163	S159-S161 PolarHBondContact O-N 3.05Å; S159-L162 PolarHBondContact O-N 3.15Å; S159-I163 WeakPolarHBondContact O-CB 3.34Å; S159-I163 WeakPolarHBondContact O-CD1 3.47Å; S159-I163 WeakPolarHBondContact O-CG1 2.93Å; S159-I163 PolarHBondContact O-N 3.31Å
160	Q	90.5	Very high	91.5	Very high	90 Å²	90	39.9 Å²	39.9	42%	0.421	22%	0.216	S	C	.	.	H	α-helix	trans	-63.4	-47.4	-171.2	-171.5	61.3	24.2	0	0	112.4	S158 L162 I163 T164	S158-Q160 PolarHBondContact O-N 3.32Å; S158-Q160 PolarHBondContact OG-N 2.94Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 3.1Å; Q160-I163 PolarHBondContact O-N 3.19Å; Q160-T164 PolarHBondContact O-N 3.05Å; Q160-T164 PolarHBondContact O-OG1 3.15Å
161	S	90.5	Very high	91.6	Very high	26 Å²	26	42.4 Å²	42.4	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-37.2	-179.6	-54.3	0	0	0	0	112	S159 T164 L165	S159-S161 PolarHBondContact O-N 3.05Å; S161-T164 PolarHBondContact O-N 2.79Å; S161-L165 PolarHBondContact O-N 3.38Å
162	L	94.8	Very high	91.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-39.3	173.9	-61.9	178.8	0	0	0	111.6	F156 S159 Q160 L165 A166 V191 F194 L195 L406	F156-L162 HydrophobicContact CD1-CD1 4.05Å; F156-L162 HydrophobicContact CE1-CD1 4.32Å; F156-L162 HydrophobicContact CE1-CD2 4.19Å; S159-L162 PolarHBondContact O-N 3.15Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 3.1Å; L162-L165 PolarHBondContact O-N 2.7Å; L162-A166 VanDerWaalsContact O-CB 3.31Å; L162-A166 WeakPolarHBondContact O-CB 3.37Å; L162-A166 PolarHBondContact O-N 3.43Å; L162-V191 HydrophobicContact CB-CG1 3.97Å; L162-V191 HydrophobicContact CB-CG2 4.01Å; L162-V191 HydrophobicContact CD1-CG1 4.33Å; L162-V191 WeakPolarHBondContact O-CG2 3.31Å; L162-F194 HydrophobicContact CD1-CE1 4.32Å; L162-L195 HydrophobicContact CD1-CD2 4.39Å; L162-L406 HydrophobicContact CB-CD2 4.1Å; L162-L406 HydrophobicContact CD2-CD2 4.06Å
163	I	96.4	Very high	91.5	Very high	25 Å²	25	41.9 Å²	41.9	13%	0.128	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-41.8	175.9	-69.9	161.8	0	0	0	110.3	S159 Q160 A166 R167 R188 V191	S159-I163 WeakPolarHBondContact O-CB 3.34Å; S159-I163 WeakPolarHBondContact O-CD1 3.47Å; S159-I163 WeakPolarHBondContact O-CG1 2.93Å; S159-I163 PolarHBondContact O-N 3.31Å; Q160-I163 PolarHBondContact O-N 3.19Å; I163-A166 PolarHBondContact O-N 3.34Å; I163-R167 WeakPolarHBondContact O-CB 3.23Å; I163-R167 PolarHBondContact O-N 2.84Å; I163-R188 HydrophobicContact CD1-CG 3.98Å; I163-R188 HydrophobicContact CG1-CG 4.37Å; I163-R188 HydrophobicContact CG2-CG 4.48Å; I163-V191 HydrophobicContact CG1-CB 4.19Å; I163-V191 HydrophobicContact CG1-CG1 4.37Å; I163-V191 HydrophobicContact CG1-CG2 3.89Å
164	T	95.7	Very high	91.4	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.08	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-46.5	175.3	-62.6	0	0	0	0	111.3	Q160 S161 R167 S168 P541 T542 L544	Q160-T164 PolarHBondContact O-N 3.05Å; Q160-T164 PolarHBondContact O-OG1 3.15Å; S161-T164 PolarHBondContact O-N 2.79Å; T164-R167 PolarHBondContact O-N 2.83Å; T164-S168 PolarHBondContact O-N 3.1Å; T164-S168 PolarHBondContact O-OG 3.43Å; T164-P541 VanDerWaalsContact CG2-O 3.29Å; T164-P541 WeakPolarHBondContact CG2-O 3.18Å; T164-T542 WeakPolarHBondContact CG2-O 3.24Å; T164-L544 HydrophobicContact CG2-CB 4.45Å; T164-L544 HydrophobicContact CG2-CD1 3.76Å; T164-L544 HydrophobicContact CG2-CG 3.81Å
165	L	96.7	Very high	91.5	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-47.3	176.3	179.2	61.4	0	0	0	111.3	L154 S161 L162 R167 S168 V169 V405 L406 T409 L544	L154-L165 HydrophobicContact CD1-CD2 4.16Å; S161-L165 PolarHBondContact O-N 3.38Å; L162-L165 PolarHBondContact O-N 2.7Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 2.89Å; L165-S168 WeakPolarHBondContact O-CB 3.17Å; L165-S168 PolarHBondContact O-N 3.1Å; L165-V169 PolarHBondContact O-N 3.38Å; L165-V405 HydrophobicContact CD1-CG1 4.06Å; L165-V405 HydrophobicContact CD2-CG1 3.87Å; L165-V405 HydrophobicContact CG-CG1 3.93Å; L165-L406 HydrophobicContact CD2-CD2 4.4Å; L165-T409 HydrophobicContact CD2-CG2 3.64Å; L165-L544 HydrophobicContact CB-CB 4.39Å; L165-L544 HydrophobicContact CB-CD1 4.46Å; L165-L544 HydrophobicContact CD1-CB 4.05Å
166	A	97.4	Very high	91.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-44.4	177.3	0	0	0	0	0	112	L162 I163 S168 V169 I170 V191 T402 L406	L162-A166 VanDerWaalsContact O-CB 3.31Å; L162-A166 WeakPolarHBondContact O-CB 3.37Å; L162-A166 PolarHBondContact O-N 3.43Å; I163-A166 PolarHBondContact O-N 3.34Å; A166-S168 VanDerWaalsContact C-N 3.31Å; A166-S168 PolarHBondContact O-N 2.96Å; A166-V169 PolarHBondContact O-N 2.88Å; A166-I170 WeakPolarHBondContact O-CD1 3.42Å; A166-I170 WeakPolarHBondContact O-CG1 3.32Å; A166-I170 PolarHBondContact O-N 2.86Å; A166-V191 HydrophobicContact CB-CG2 3.84Å; A166-T402 HydrophobicContact CB-CG2 3.52Å; A166-L406 HydrophobicContact CB-CD1 4.42Å
167	R	96.9	Very high	92.3	Very high	94 Å²	94	34.7 Å²	34.7	36%	0.355	21%	0.206	S	C	.	.	H	α-helix	trans	-62	-39.7	178.1	-171.2	179	-177.4	-175.6	-1.9	111.7	I163 T164 L165 V169 I170 S171 E180 S187	I163-R167 WeakPolarHBondContact O-CB 3.23Å; I163-R167 PolarHBondContact O-N 2.84Å; T164-R167 PolarHBondContact O-N 2.83Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 2.89Å; R167-V169 PolarHBondContact O-N 3.46Å; R167-I170 PolarHBondContact O-N 3.27Å; R167-S171 VanDerWaalsContact O-CB 3.29Å; R167-S171 WeakPolarHBondContact O-CB 3.43Å; R167-S171 PolarHBondContact O-N 2.99Å; R167-S171 PolarHBondContact O-OG 2.79Å; R167-E180 IonicContact CZ-OE2 2.93Å; R167-E180 IonicContact NE-OE2 2.71Å; R167-E180 IonicContact NH2-OE2 2.68Å; R167-E180 PolarHBondContact NH2-OE2 3.38Å; R167-S187 WeakPolarHBondContact CA-OG 3.28Å; R167-S187 WeakPolarHBondContact CB-OG 3.29Å
168	S	96.3	Very high	92.9	Very high	10 Å²	10	30.6 Å²	30.6	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-43.6	178.5	-55.8	0	0	0	0	111.8	T164 L165 A166 S172 V543 L544	T164-S168 PolarHBondContact O-N 3.1Å; T164-S168 PolarHBondContact O-OG 3.43Å; L165-S168 WeakPolarHBondContact O-CB 3.17Å; L165-S168 PolarHBondContact O-N 3.1Å; A166-S168 VanDerWaalsContact C-N 3.31Å; A166-S168 PolarHBondContact O-N 2.96Å; S168-S172 VanDerWaalsContact O-CB 3.26Å; S168-S172 WeakPolarHBondContact O-CB 3.11Å; S168-S172 PolarHBondContact O-N 3.41Å; S168-S172 PolarHBondContact O-OG 2.99Å; S168-V543 WeakPolarHBondContact OG-CA 3.3Å; S168-L544 WeakPolarHBondContact CB-O 3.4Å; S168-L544 PolarHBondContact OG-N 2.55Å; S168-L544 PolarHBondContact OG-O 2.8Å
169	V	96.4	Very high	93.5	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.036	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-43.7	175.3	179.5	0	0	0	0	110.9	L165 A166 R167 S172 T402 V405	L165-V169 PolarHBondContact O-N 3.38Å; A166-V169 PolarHBondContact O-N 2.88Å; R167-V169 PolarHBondContact O-N 3.46Å; V169-S172 PolarHBondContact O-OG 2.88Å; V169-T402 WeakPolarHBondContact CG1-OG1 3.47Å; V169-V405 HydrophobicContact CG2-CB 4.4Å; V169-V405 HydrophobicContact CG2-CG1 4.15Å; V169-V405 HydrophobicContact CG2-CG2 4.25Å
170	I	96	Very high	93.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-71.5	-48.3	-177.1	-66.9	159.8	0	0	0	112.4	A166 R167 S172 K173 L178 I186 V398 T402	A166-I170 WeakPolarHBondContact O-CD1 3.42Å; A166-I170 WeakPolarHBondContact O-CG1 3.32Å; A166-I170 PolarHBondContact O-N 2.86Å; R167-I170 PolarHBondContact O-N 3.27Å; I170-S172 VanDerWaalsContact C-N 3.28Å; I170-S172 PolarHBondContact O-N 3.02Å; I170-K173 PolarHBondContact O-N 3.24Å; I170-L178 HydrophobicContact CG2-CD1 3.64Å; I170-I186 HydrophobicContact CD1-CG2 3.88Å; I170-V398 HydrophobicContact CB-CG1 4.28Å; I170-V398 HydrophobicContact CG1-CG1 3.96Å; I170-T402 HydrophobicContact CD1-CG2 4.3Å
171	S	92.6	Very high	94.2	Very high	54 Å²	54	33.2 Å²	33.2	38%	0.378	19%	0.188	S	C	.	.	H	α-helix	trans	-71.1	-24	-175.7	66.9	0	0	0	0	112.7	R167 K173	R167-S171 VanDerWaalsContact O-CB 3.29Å; R167-S171 WeakPolarHBondContact O-CB 3.43Å; R167-S171 PolarHBondContact O-N 2.99Å; R167-S171 PolarHBondContact O-OG 2.79Å; S171-K173 PolarHBondContact O-N 2.82Å
172	S	91	Very high	94.6	Very high	26 Å²	26	33.6 Å²	33.6	18%	0.182	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	8	173.2	73.5	0	0	0	0	114.4	S168 V169 I170	S168-S172 VanDerWaalsContact O-CB 3.26Å; S168-S172 WeakPolarHBondContact O-CB 3.11Å; S168-S172 PolarHBondContact O-N 3.41Å; S168-S172 PolarHBondContact O-OG 2.99Å; V169-S172 PolarHBondContact O-OG 2.88Å; I170-S172 VanDerWaalsContact C-N 3.28Å; I170-S172 PolarHBondContact O-N 3.02Å
173	K	92.1	Very high	94.7	Very high	23 Å²	23	33.9 Å²	33.9	10%	0.1	19%	0.189	C	C	.	.			trans	-123.6	82.9	-175.4	-60.7	-72.3	162.1	-70.7	0	110	I170 S171 T175 C176 V398	I170-K173 PolarHBondContact O-N 3.24Å; S171-K173 PolarHBondContact O-N 2.82Å; K173-T175 PolarHBondContact O-N 3.41Å; K173-C176 PolarHBondContact O-N 2.89Å; K173-C176 VanDerWaalsContact O-N 3.07Å; K173-V398 HydrophobicContact CB-CG1 4.47Å; K173-V398 HydrophobicContact CB-CG2 3.91Å; K173-V398 HydrophobicContact CD-CG2 4.22Å; K173-V398 HydrophobicContact CG-CG1 4.08Å; K173-V398 HydrophobicContact CG-CG2 3.65Å
174	P	89.9	Confident	94.7	Very high	34 Å²	34	33.5 Å²	33.5	22%	0.221	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-60.7	-22.5	-175.7	19.3	-30	0	0	0	113.5	P51 A53 L55 C176 V177	P51-P174 WeakPolarHBondContact O-CB 3.45Å; P51-P174 WeakPolarHBondContact O-CG 3.45Å; A53-P174 HydrophobicContact CB-CG 4.02Å; A53-P174 WeakPolarHBondContact O-CG 3.47Å; L55-P174 HydrophobicContact CD2-CB 4.34Å; L55-P174 HydrophobicContact CD2-CG 3.93Å; P174-C176 PolarHBondContact O-N 3.25Å; P174-V177 WeakPolarHBondContact O-CG2 3.44Å; P174-V177 PolarHBondContact O-N 3.46Å
175	T	90.4	Very high	94.8	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.025	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.3	-25.8	176.5	-48.3	0	0	0	0	113.2	L55 T68 S70 K173 V177 M391 E394	L55-T175 HydrophobicContact CD1-CG2 4.47Å; L55-T175 WeakPolarHBondContact CD2-OG1 3.3Å; T68-T175 WeakPolarHBondContact O-CG2 3.47Å; S70-T175 PolarHBondContact N-OG1 3.37Å; S70-T175 PolarHBondContact OG-OG1 2.81Å; K173-T175 PolarHBondContact O-N 3.41Å; T175-V177 VanDerWaalsContact C-N 3.28Å; T175-V177 PolarHBondContact O-N 2.83Å; T175-M391 WeakPolarHBondContact O-CG 3.3Å; T175-E394 HydrophobicContact CG2-CB 3.91Å; T175-E394 HydrophobicContact CG2-CG 3.85Å
176	C	91.4	Very high	94.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-73.8	-19.8	177.5	-62.6	0	0	0	0	113.1	K173 P174 L178 H386 L395	K173-C176 PolarHBondContact O-N 2.89Å; K173-C176 VanDerWaalsContact O-N 3.07Å; P174-C176 PolarHBondContact O-N 3.25Å; C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 HydrophobicContact CB-CD1 4.15Å; C176-L178 HydrophobicContact CB-CD2 4.35Å; C176-L178 HydrophobicContact CB-CG 3.8Å; C176-L178 WeakPolarHBondContact O-CD2 3.17Å; C176-L178 PolarHBondContact O-N 2.85Å; C176-H386 PolarHBondContact O-NE2 3.28Å; C176-L395 HydrophobicContact CB-CD1 4.4Å
177	V	93.4	Very high	94.9	Very high	89 Å²	89	34.6 Å²	34.6	54%	0.539	19%	0.194	S	C	.	.			trans	45.8	53.4	179.2	-164	0	0	0	0	112.3	P174 T175 M391	P174-V177 WeakPolarHBondContact O-CG2 3.44Å; P174-V177 PolarHBondContact O-N 3.46Å; T175-V177 VanDerWaalsContact C-N 3.28Å; T175-V177 PolarHBondContact O-N 2.83Å; V177-M391 HydrophobicContact CB-CE 4.14Å; V177-M391 HydrophobicContact CB-SD 3.91Å; V177-M391 HydrophobicContact CG2-CE 3.63Å; V177-M391 HydrophobicContact CG2-CG 4.49Å; V177-M391 HydrophobicContact CG2-SD 3.9Å
178	L	94.6	Very high	94.9	Very high	38 Å²	38	35.8 Å²	35.8	20%	0.199	20%	0.199	C	C	.	.			trans	-92.4	133.7	-179.9	-57.3	-178.9	0	0	0	110.4	I170 C176 E182 V221 L395	I170-L178 HydrophobicContact CG2-CD1 3.64Å; C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 HydrophobicContact CB-CD1 4.15Å; C176-L178 HydrophobicContact CB-CD2 4.35Å; C176-L178 HydrophobicContact CB-CG 3.8Å; C176-L178 WeakPolarHBondContact O-CD2 3.17Å; C176-L178 PolarHBondContact O-N 2.85Å; L178-E182 HydrophobicContact CB-CB 4.25Å; L178-E182 HydrophobicContact CD2-CB 4.38Å; L178-V221 HydrophobicContact CD2-CG1 4.02Å; L178-V221 HydrophobicContact CD2-CG2 4.03Å; L178-L395 HydrophobicContact CD1-CD1 3.97Å
179	S	95.5	Very high	95	Very high	52 Å²	52	35.9 Å²	35.9	36%	0.364	20%	0.198	S	C	.	.			trans	-69.2	162.2	163.7	65	0	0	0	0	111	P181 E182 S183	S179-P181 WeakPolarHBondContact OG-CG 3.5Å; S179-E182 WeakPolarHBondContact CB-OE2 3.42Å; S179-E182 PolarHBondContact N-OE2 3.2Å; S179-E182 WeakPolarHBondContact O-CB 3.37Å; S179-E182 PolarHBondContact O-N 2.87Å; S179-E182 VanDerWaalsContact OG-CG 3.27Å; S179-E182 WeakPolarHBondContact OG-CG 3.19Å; S179-E182 PolarHBondContact OG-OE2 3.18Å; S179-S183 PolarHBondContact O-N 3.36Å
180	E	94.1	Very high	95	Very high	121 Å²	121	35.8 Å²	35.8	57%	0.565	20%	0.198	S	C	*	.	H	α-helix	trans	-50.8	-48.1	176.7	-75	-59.8	161	0	0	115.4	R167 E182 S183 A184	R167-E180 IonicContact CZ-OE2 2.93Å; R167-E180 IonicContact NE-OE2 2.71Å; R167-E180 IonicContact NH2-OE2 2.68Å; R167-E180 PolarHBondContact NH2-OE2 3.38Å; E180-E182 VanDerWaalsContact C-N 3.3Å; E180-E182 PolarHBondContact O-N 3.42Å; E180-S183 PolarHBondContact O-N 2.8Å; E180-A184 WeakPolarHBondContact O-CB 3.26Å; E180-A184 PolarHBondContact O-N 2.82Å
181	P	96.8	Very high	95.1	Very high	79 Å²	79	35.9 Å²	35.9	51%	0.513	20%	0.198	S	C	.	.	H	α-helix	trans	-64.5	-34.2	176.9	24.7	-34.3	0	0	0	112.7	S179 H185	S179-P181 WeakPolarHBondContact OG-CG 3.5Å; P181-H185 VanDerWaalsContact O-CB 3.3Å; P181-H185 WeakPolarHBondContact O-CB 3.3Å; P181-H185 PolarHBondContact O-N 3.47Å
182	E	97.6	Very high	95.2	Very high	35 Å²	35	37.5 Å²	37.5	16%	0.164	20%	0.2	C	C	.	.	H	α-helix	trans	-70.6	-44.6	177.7	-68.4	169.4	139.8	0	0	111.5	L178 S179 E180 A184 H185 I186 V221 L222	L178-E182 HydrophobicContact CB-CB 4.25Å; L178-E182 HydrophobicContact CD2-CB 4.38Å; S179-E182 WeakPolarHBondContact CB-OE2 3.42Å; S179-E182 PolarHBondContact N-OE2 3.2Å; S179-E182 WeakPolarHBondContact O-CB 3.37Å; S179-E182 PolarHBondContact O-N 2.87Å; S179-E182 VanDerWaalsContact OG-CG 3.27Å; S179-E182 WeakPolarHBondContact OG-CG 3.19Å; S179-E182 PolarHBondContact OG-OE2 3.18Å; E180-E182 VanDerWaalsContact C-N 3.3Å; E180-E182 PolarHBondContact O-N 3.42Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 3.34Å; E182-H185 WeakPolarHBondContact O-CB 3.42Å; E182-H185 PolarHBondContact O-N 2.82Å; E182-I186 WeakPolarHBondContact O-CG1 3.46Å; E182-I186 PolarHBondContact O-N 3.38Å; E182-V221 HydrophobicContact CB-CB 4.18Å; E182-V221 HydrophobicContact CB-CG1 4.02Å; E182-V221 HydrophobicContact CG-CB 3.92Å; E182-V221 HydrophobicContact CG-CG1 4.3Å; E182-L222 HydrophobicContact CG-CD2 3.9Å; E182-L222 HydrophobicContact CG-CG 4.03Å
183	S	96.5	Very high	95.4	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-47.1	174.4	-179.6	0	0	0	0	111.1	S179 E180 H185 I186 S187	S179-S183 PolarHBondContact O-N 3.36Å; E180-S183 PolarHBondContact O-N 2.8Å; S183-H185 VanDerWaalsContact C-N 3.34Å; S183-H185 PolarHBondContact O-N 2.76Å; S183-I186 PolarHBondContact O-N 3.29Å; S183-S187 VanDerWaalsContact O-CB 3.31Å; S183-S187 WeakPolarHBondContact O-CB 3.5Å; S183-S187 PolarHBondContact O-N 2.93Å; S183-S187 PolarHBondContact O-OG 3.11Å
184	A	96.4	Very high	95.6	Very high	18 Å²	18	35.3 Å²	35.3	15%	0.149	19%	0.188	C	C	.	.	H	α-helix	trans	-63.3	-38.6	176.1	0	0	0	0	0	112.4	E180 E182 R188	E180-A184 WeakPolarHBondContact O-CB 3.26Å; E180-A184 PolarHBondContact O-N 2.82Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 3.34Å; A184-R188 WeakPolarHBondContact O-CG 3.41Å; A184-R188 PolarHBondContact O-N 3.42Å; A184-R188 VanDerWaalsContact O-N 3.12Å; A184-R188 PolarHBondContact O-NH1 2.82Å
185	H	97.8	Very high	95.7	Very high	35 Å²	35	37.4 Å²	37.4	16%	0.162	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-54.1	176.1	-176.4	60.8	0	0	0	112.1	P181 E182 S183 S187 R188 L189 L222 S224	P181-H185 VanDerWaalsContact O-CB 3.3Å; P181-H185 WeakPolarHBondContact O-CB 3.3Å; P181-H185 PolarHBondContact O-N 3.47Å; E182-H185 WeakPolarHBondContact O-CB 3.42Å; E182-H185 PolarHBondContact O-N 2.82Å; S183-H185 VanDerWaalsContact C-N 3.34Å; S183-H185 PolarHBondContact O-N 2.76Å; H185-S187 VanDerWaalsContact C-N 3.29Å; H185-S187 PolarHBondContact O-N 3.45Å; H185-R188 PolarHBondContact O-N 3.5Å; H185-L189 WeakPolarHBondContact O-CG 3.32Å; H185-L189 PolarHBondContact O-N 2.85Å; H185-L222 HydrophobicContact CB-CD2 3.91Å; H185-L222 PolarHBondContact NE2-O 3.3Å; H185-S224 PolarHBondContact NE2-O 3.49Å
186	I	98.2	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-38.4	179.6	-62.7	-55.9	0	0	0	111.4	I170 E182 S183 R188 L189 A190 V221 M382 L384 L395 C399	I170-I186 HydrophobicContact CD1-CG2 3.88Å; E182-I186 WeakPolarHBondContact O-CG1 3.46Å; E182-I186 PolarHBondContact O-N 3.38Å; S183-I186 PolarHBondContact O-N 3.29Å; I186-R188 PolarHBondContact O-N 3.48Å; I186-L189 HydrophobicContact CD1-CD1 4.32Å; I186-L189 PolarHBondContact O-N 3.29Å; I186-A190 WeakPolarHBondContact O-CB 3.32Å; I186-A190 PolarHBondContact O-N 3.15Å; I186-V221 HydrophobicContact CD1-CG1 3.63Å; I186-V221 HydrophobicContact CG1-CG1 3.57Å; I186-M382 HydrophobicContact CG2-CE 4.4Å; I186-L384 HydrophobicContact CD1-CD2 4.12Å; I186-L395 HydrophobicContact CG2-CD1 4.18Å; I186-C399 VanDerWaalsContact CG2-SG 3.56Å
187	S	97.9	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-44.4	176.9	-56.2	0	0	0	0	112	R167 S183 H185 A190 V191	R167-S187 WeakPolarHBondContact CA-OG 3.28Å; R167-S187 WeakPolarHBondContact CB-OG 3.29Å; S183-S187 VanDerWaalsContact O-CB 3.31Å; S183-S187 WeakPolarHBondContact O-CB 3.5Å; S183-S187 PolarHBondContact O-N 2.93Å; S183-S187 PolarHBondContact O-OG 3.11Å; H185-S187 VanDerWaalsContact C-N 3.29Å; H185-S187 PolarHBondContact O-N 3.45Å; S187-A190 PolarHBondContact O-N 3.43Å; S187-V191 WeakPolarHBondContact O-CG2 3.39Å; S187-V191 PolarHBondContact O-N 3.18Å; S187-V191 VanDerWaalsContact O-N 3.11Å
188	R	97.8	Very high	95.4	Very high	120 Å²	120	37.5 Å²	37.5	45%	0.453	20%	0.195	S	C	.	.	H	α-helix	trans	-62.3	-42.9	174.3	-74.5	-173	-61.1	-91.1	-0	111.9	I163 A184 H185 I186 V191 Q192	I163-R188 HydrophobicContact CD1-CG 3.98Å; I163-R188 HydrophobicContact CG1-CG 4.37Å; I163-R188 HydrophobicContact CG2-CG 4.48Å; A184-R188 WeakPolarHBondContact O-CG 3.41Å; A184-R188 PolarHBondContact O-N 3.42Å; A184-R188 VanDerWaalsContact O-N 3.12Å; A184-R188 PolarHBondContact O-NH1 2.82Å; H185-R188 PolarHBondContact O-N 3.5Å; I186-R188 PolarHBondContact O-N 3.48Å; R188-V191 PolarHBondContact O-N 3.36Å; R188-Q192 VanDerWaalsContact O-CB 3.31Å; R188-Q192 WeakPolarHBondContact O-CB 3.48Å; R188-Q192 PolarHBondContact O-N 2.86Å
189	L	98.1	Very high	94.8	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.063	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-40.1	177.7	-67.1	-178	0	0	0	112.2	H185 I186 Q192 A193 S224 V226 M382	H185-L189 WeakPolarHBondContact O-CG 3.32Å; H185-L189 PolarHBondContact O-N 2.85Å; I186-L189 HydrophobicContact CD1-CD1 4.32Å; I186-L189 PolarHBondContact O-N 3.29Å; L189-Q192 PolarHBondContact O-N 2.81Å; L189-A193 WeakPolarHBondContact O-CB 3.21Å; L189-A193 PolarHBondContact O-N 3.45Å; L189-S224 WeakPolarHBondContact CD1-O 3.18Å; L189-V226 HydrophobicContact CB-CG2 3.95Å; L189-V226 HydrophobicContact CD2-CG2 4.05Å; L189-V226 HydrophobicContact CG-CG2 4.49Å; L189-M382 HydrophobicContact CB-CE 3.66Å
190	A	97.7	Very high	93.4	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-44.2	177.1	0	0	0	0	0	111.3	I186 S187 A193 F194 T402	I186-A190 WeakPolarHBondContact O-CB 3.32Å; I186-A190 PolarHBondContact O-N 3.15Å; S187-A190 PolarHBondContact O-N 3.43Å; A190-A193 PolarHBondContact O-N 3.37Å; A190-F194 WeakPolarHBondContact O-CB 3.39Å; A190-F194 PolarHBondContact O-N 3.49Å; A190-T402 HydrophobicContact CB-CG2 3.92Å
191	V	96.8	Very high	92	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-42.6	174.4	175	0	0	0	0	111.4	L162 I163 A166 S187 R188 A193 F194 L195 L406	L162-V191 HydrophobicContact CB-CG1 3.97Å; L162-V191 HydrophobicContact CB-CG2 4.01Å; L162-V191 HydrophobicContact CD1-CG1 4.33Å; L162-V191 WeakPolarHBondContact O-CG2 3.31Å; I163-V191 HydrophobicContact CG1-CB 4.19Å; I163-V191 HydrophobicContact CG1-CG1 4.37Å; I163-V191 HydrophobicContact CG1-CG2 3.89Å; A166-V191 HydrophobicContact CB-CG2 3.84Å; S187-V191 WeakPolarHBondContact O-CG2 3.39Å; S187-V191 PolarHBondContact O-N 3.18Å; S187-V191 VanDerWaalsContact O-N 3.11Å; R188-V191 PolarHBondContact O-N 3.36Å; V191-A193 PolarHBondContact O-N 2.96Å; V191-F194 WeakPolarHBondContact O-CB 3.36Å; V191-F194 PolarHBondContact O-N 3.21Å; V191-L195 HydrophobicContact CG1-CD1 3.91Å; V191-L195 HydrophobicContact CG1-CG 4.24Å; V191-L195 WeakPolarHBondContact O-CB 3.44Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 3.41Å; V191-L195 PolarHBondContact O-N 2.87Å; V191-L406 HydrophobicContact CG2-CD1 4.02Å; V191-L406 HydrophobicContact CG2-CD2 4.39Å
192	Q	95.4	Very high	89.9	Confident	89 Å²	89	43.8 Å²	43.8	42%	0.416	23%	0.232	S	C	.	.	H	α-helix	trans	-59.5	-47.2	176.4	-177.8	-176.3	-4.1	0	0	111.6	R188 L189 L195 L196 V226	R188-Q192 VanDerWaalsContact O-CB 3.31Å; R188-Q192 WeakPolarHBondContact O-CB 3.48Å; R188-Q192 PolarHBondContact O-N 2.86Å; L189-Q192 PolarHBondContact O-N 2.81Å; Q192-L195 PolarHBondContact O-N 3.26Å; Q192-L196 HydrophobicContact CG-CD1 4.42Å; Q192-L196 WeakPolarHBondContact O-CG 3.44Å; Q192-L196 PolarHBondContact O-N 2.92Å; Q192-V226 HydrophobicContact CG-CG1 4.48Å
193	A	95.8	Very high	87.7	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-48.5	176.2	0	0	0	0	0	110.8	L189 A190 V191 L195 L196 T197 T211 V226	L189-A193 WeakPolarHBondContact O-CB 3.21Å; L189-A193 PolarHBondContact O-N 3.45Å; A190-A193 PolarHBondContact O-N 3.37Å; V191-A193 PolarHBondContact O-N 2.96Å; A193-L195 PolarHBondContact O-N 2.85Å; A193-L196 PolarHBondContact O-N 2.87Å; A193-T197 WeakPolarHBondContact O-CG2 3.45Å; A193-T197 PolarHBondContact O-N 3.26Å; A193-T211 HydrophobicContact CB-CG2 4.03Å; A193-V226 HydrophobicContact CB-CG1 4.11Å; A193-V226 HydrophobicContact CB-CG2 4.01Å
194	F	94.8	Very high	85.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-53	-52.3	175.1	164.8	-109.1	0	0	0	111.9	F156 L162 A190 V191 L196 T197 V198 L406 R407 L410	F156-F194 HydrophobicContact CE1-CE1 4.19Å; F156-F194 HydrophobicContact CE1-CZ 4.27Å; L162-F194 HydrophobicContact CD1-CE1 4.32Å; A190-F194 WeakPolarHBondContact O-CB 3.39Å; A190-F194 PolarHBondContact O-N 3.49Å; V191-F194 WeakPolarHBondContact O-CB 3.36Å; V191-F194 PolarHBondContact O-N 3.21Å; F194-L196 VanDerWaalsContact C-N 3.31Å; F194-L196 PolarHBondContact O-N 3.22Å; F194-T197 WeakPolarHBondContact O-CA 3.36Å; F194-T197 PolarHBondContact O-N 2.83Å; F194-T197 PolarHBondContact O-OG1 2.82Å; F194-V198 HydrophobicContact CD2-CG2 4.05Å; F194-V198 HydrophobicContact CE1-CG2 4.25Å; F194-V198 HydrophobicContact CE2-CG2 3.57Å; F194-V198 HydrophobicContact CZ-CG2 3.71Å; F194-V198 WeakPolarHBondContact O-CG2 3.11Å; F194-V198 PolarHBondContact O-N 3.13Å; F194-L406 HydrophobicContact CB-CB 4.31Å; F194-L406 HydrophobicContact CB-CD1 3.81Å; F194-L406 HydrophobicContact CD1-CB 3.97Å; F194-L406 HydrophobicContact CD1-CD1 4.26Å; F194-L406 HydrophobicContact CD2-CB 3.76Å; F194-L406 HydrophobicContact CE1-CB 4.19Å; F194-L406 HydrophobicContact CE2-CB 4Å; F194-L406 WeakPolarHBondContact CE2-O 3.19Å; F194-L406 HydrophobicContact CG-CB 3.73Å; F194-L406 HydrophobicContact CG-CD1 4.05Å; F194-L406 HydrophobicContact CG-CG 4.49Å; F194-L406 HydrophobicContact CZ-CB 4.19Å; F194-L406 VanDerWaalsContact CZ-O 3.31Å; F194-L406 WeakPolarHBondContact CZ-O 3.45Å; F194-R407 HydrophobicContact CD2-CG 4.13Å; F194-R407 HydrophobicContact CE2-CB 4.49Å; F194-R407 HydrophobicContact CE2-CG 3.94Å; F194-L410 HydrophobicContact CE2-CD1 3.99Å; F194-L410 HydrophobicContact CE2-CD2 4.44Å; F194-L410 HydrophobicContact CE2-CG 4.14Å; F194-L410 HydrophobicContact CZ-CD1 4.18Å; F194-L410 HydrophobicContact CZ-CD2 3.8Å; F194-L410 HydrophobicContact CZ-CG 3.88Å
195	L	92	Very high	83.7	Confident	79 Å²	79	61.7 Å²	61.7	41%	0.414	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-36.1	-179.2	-69	173.9	0	0	0	112.7	L162 V191 Q192 A193 T197 V198	L162-L195 HydrophobicContact CD1-CD2 4.39Å; V191-L195 HydrophobicContact CG1-CD1 3.91Å; V191-L195 HydrophobicContact CG1-CG 4.24Å; V191-L195 WeakPolarHBondContact O-CB 3.44Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 3.41Å; V191-L195 PolarHBondContact O-N 2.87Å; Q192-L195 PolarHBondContact O-N 3.26Å; A193-L195 PolarHBondContact O-N 2.85Å; L195-T197 PolarHBondContact O-N 3.49Å; L195-V198 PolarHBondContact O-N 2.99Å
196	L	91.3	Very high	82.2	Confident	59 Å²	59	63.3 Å²	63.3	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-24.4	173.6	-71.6	172.1	0	0	0	112.8	Q192 A193 F194 V226 P228 T378 C380	Q192-L196 HydrophobicContact CG-CD1 4.42Å; Q192-L196 WeakPolarHBondContact O-CG 3.44Å; Q192-L196 PolarHBondContact O-N 2.92Å; A193-L196 PolarHBondContact O-N 2.87Å; F194-L196 VanDerWaalsContact C-N 3.31Å; F194-L196 PolarHBondContact O-N 3.22Å; L196-V226 HydrophobicContact CD1-CG1 3.65Å; L196-P228 HydrophobicContact CD1-CG 4.33Å; L196-T378 WeakPolarHBondContact O-CA 3.32Å; L196-C380 HydrophobicContact CB-CB 4.14Å; L196-C380 HydrophobicContact CD1-CB 3.97Å
197	T	91.2	Very high	81	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-89.3	-10.4	177.2	69.3	0	0	0	0	114.1	A193 F194 L195 P199 G209 T211 T378	A193-T197 WeakPolarHBondContact O-CG2 3.45Å; A193-T197 PolarHBondContact O-N 3.26Å; F194-T197 WeakPolarHBondContact O-CA 3.36Å; F194-T197 PolarHBondContact O-N 2.83Å; F194-T197 PolarHBondContact O-OG1 2.82Å; L195-T197 PolarHBondContact O-N 3.49Å; T197-P199 WeakPolarHBondContact O-CD 3.32Å; T197-G209 WeakPolarHBondContact O-CA 3.33Å; T197-G209 PolarHBondContact O-N 2.92Å; T197-T211 WeakPolarHBondContact CG2-OG1 3.31Å; T197-T378 WeakPolarHBondContact CA-O 3.37Å; T197-T378 WeakPolarHBondContact CG2-O 3.39Å
198	V	88.2	Confident	80.4	Confident	37 Å²	37	75 Å²	75	22%	0.224	38%	0.383	C	S	.	.	S	Bend	trans	-93	115.9	179.2	179.6	0	0	0	0	109.3	F194 L195 L410	F194-V198 HydrophobicContact CD2-CG2 4.05Å; F194-V198 HydrophobicContact CE1-CG2 4.25Å; F194-V198 HydrophobicContact CE2-CG2 3.57Å; F194-V198 HydrophobicContact CZ-CG2 3.71Å; F194-V198 WeakPolarHBondContact O-CG2 3.11Å; F194-V198 PolarHBondContact O-N 3.13Å; L195-V198 PolarHBondContact O-N 2.99Å; V198-L410 HydrophobicContact CG1-CD2 4.16Å; V198-L410 HydrophobicContact CG2-CD1 4Å; V198-L410 HydrophobicContact CG2-CD2 4.19Å
199	P	80.1	Confident	79.9	Confident	36 Å²	36	69.5 Å²	69.5	23%	0.234	36%	0.363	C	S	.	.			trans	-68.3	134.8	179.3	27.3	-32.7	0	0	0	111.1	T197 N201 V206 T378	T197-P199 WeakPolarHBondContact O-CD 3.32Å; P199-N201 VanDerWaalsContact C-N 3.3Å; P199-N201 PolarHBondContact O-N 3.44Å; P199-V206 HydrophobicContact CG-CG1 3.63Å; P199-T378 HydrophobicContact CB-CG2 3.93Å; P199-T378 HydrophobicContact CG-CG2 4.46Å
200	C	67.6	Low	79.6	Confident	113 Å²	113	74 Å²	74	76%	0.764	38%	0.379	S	S	*	.	S	Bend	trans	-74.5	-18.2	179.5	-48.5	0	0	0	0	114
201	N	63.7	Low	79.4	Confident	118 Å²	118	74.4 Å²	74.4	63%	0.631	38%	0.381	S	S	*	.	S	Bend	trans	-107.4	137.8	178.3	-66.4	-9.9	0	0	0	108.2	P199 P203	P199-N201 VanDerWaalsContact C-N 3.3Å; P199-N201 PolarHBondContact O-N 3.44Å; N201-P203 WeakPolarHBondContact O-CD 3.48Å
202	I	53.2	Low	79.4	Confident	155 Å²	155	75.1 Å²	75.1	80%	0.795	39%	0.386	S	S	*	.			trans	-95.3	89.4	175.9	-53.1	167.8	0	0	0	107.9	V206	I202-V206 HydrophobicContact CB-CG2 4.46Å; I202-V206 HydrophobicContact CG2-CG2 3.84Å
203	P	52.2	Low	79.4	Confident	75 Å²	75	71.7 Å²	71.7	49%	0.487	37%	0.371	S	S	.	.			trans	-72.5	159.1	158.6	30.7	-32.2	0	0	0	109.3	N201 K205 V206	N201-P203 WeakPolarHBondContact O-CD 3.48Å; P203-K205 CarbonylContact O-C 3.46Å; P203-K205 PolarHBondContact O-N 3.48Å; P203-V206 PolarHBondContact O-N 2.97Å
204	D	51.7	Low	79.3	Confident	177 Å²	177	72.7 Å²	72.7	95%	0.947	38%	0.376	S	S	*	.	S	Bend	trans	-52.1	-15.2	-179.9	-67.7	-35.2	0	0	0	114.8
205	K	56.1	Low	79.3	Confident	183 Å²	183	75.4 Å²	75.4	80%	0.796	39%	0.393	S	S	*	.	S	Bend	trans	-129.4	96.6	166.3	-80.8	-178.8	177.3	174.9	0	111	P203 R207	P203-K205 CarbonylContact O-C 3.46Å; P203-K205 PolarHBondContact O-N 3.48Å; K205-R207 PolarHBondContact O-N 2.91Å
206	V	65.7	Low	79.3	Confident	69 Å²	69	72.8 Å²	72.8	42%	0.418	38%	0.379	S	S	.	.			trans	-74.5	103.1	171.7	-179	0	0	0	0	109.3	P199 I202 P203 L208	P199-V206 HydrophobicContact CG-CG1 3.63Å; I202-V206 HydrophobicContact CB-CG2 4.46Å; I202-V206 HydrophobicContact CG2-CG2 3.84Å; P203-V206 PolarHBondContact O-N 2.97Å; V206-L208 HydrophobicContact CG1-CD2 4.32Å
207	R	74.2	Confident	79.4	Confident	179 Å²	179	75.2 Å²	75.2	68%	0.675	39%	0.389	S	S	*	.			trans	-88.8	114.9	165.7	-68.4	178.8	80.9	150.7	-2.7	107.9	K205 E330	K205-R207 PolarHBondContact O-N 2.91Å; R207-E330 IonicContact NH2-OE1 2.74Å
208	L	84.7	Confident	79.5	Confident	67 Å²	67	77.6 Å²	77.6	35%	0.351	41%	0.414	S	S	.	.			trans	-63.9	143.7	172.6	-64.7	179.3	0	0	0	109.8	V206 R407 L410	V206-L208 HydrophobicContact CG1-CD2 4.32Å; L208-R407 HydrophobicContact CD1-CG 4.18Å; L208-L410 HydrophobicContact CD1-CD1 3.96Å; L208-L410 HydrophobicContact CD2-CD1 3.69Å
209	G	87.6	Confident	79.7	Confident	4 Å²	4	78.5 Å²	78.5	4%	0.041	42%	0.416	C	S	.	.			trans	-67.7	-176.5	170.5	0	0	0	0	0	114.5	T197 T378 R407	T197-G209 WeakPolarHBondContact O-CA 3.33Å; T197-G209 PolarHBondContact O-N 2.92Å; G209-T378 CarbonylContact C-O 3.28Å; G209-T378 WeakPolarHBondContact CA-O 3.43Å; G209-T378 WeakPolarHBondContact CA-OG1 3.32Å; G209-R407 PolarHBondContact O-NH2 2.6Å
210	R	91.1	Very high	80.4	Confident	105 Å²	105	77.9 Å²	77.9	40%	0.396	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133.2	-175.8	-169	162.6	178.5	-166.4	3	111.7	S327 T378 I379 C380	R210-S327 PolarHBondContact NH1-O 3.1Å; R210-T378 PolarHBondContact N-O 2.99Å; R210-I379 HydrophobicContact CB-CD1 3.77Å; R210-C380 PolarHBondContact O-N 2.89Å
211	T	95	Very high	81.8	Confident	13 Å²	13	72.7 Å²	72.7	8%	0.08	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.5	167.9	-52.5	0	0	0	0	109.6	A193 T197 C380 M382 E403	A193-T211 HydrophobicContact CB-CG2 4.03Å; T197-T211 WeakPolarHBondContact CG2-OG1 3.31Å; T211-C380 CarbonylContact C-O 3.53Å; T211-C380 WeakPolarHBondContact CA-O 3.35Å; T211-M382 HydrophobicContact CG2-CB 3.75Å; T211-E403 WeakPolarHBondContact CB-OE1 3.29Å; T211-E403 PolarHBondContact N-OE1 3.34Å; T211-E403 VanDerWaalsContact OG1-CD 3.28Å; T211-E403 PolarHBondContact OG1-OE1 2.68Å
212	V	95.4	Very high	83.4	Confident	17 Å²	17	71.2 Å²	71.2	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.4	168.5	175	0	0	0	0	108.5	I214 L230 L328 P331 C380 T381 M382	V212-I214 HydrophobicContact CG1-CG1 4.3Å; V212-L230 HydrophobicContact CB-CD2 4.03Å; V212-L230 HydrophobicContact CG2-CD2 3.48Å; V212-L230 VanDerWaalsContact CG2-CD2 3.48Å; V212-L328 HydrophobicContact CB-CD2 4.42Å; V212-L328 HydrophobicContact CG1-CD2 3.5Å; V212-L328 HydrophobicContact CG2-CD2 4.01Å; V212-P331 HydrophobicContact CG2-CB 4.07Å; V212-P331 HydrophobicContact CG2-CG 3.9Å; V212-C380 PolarHBondContact N-O 2.94Å; V212-T381 CarbonylContact O-C 3.08Å; V212-T381 VanDerWaalsContact O-CA 3.28Å; V212-T381 WeakPolarHBondContact O-CA 3.38Å; V212-T381 WeakPolarHBondContact O-CG2 3.27Å; V212-M382 PolarHBondContact O-N 3.4Å
213	T	95.8	Very high	85.4	Confident	18 Å²	18	69.2 Å²	69.2	11%	0.11	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.6	-179.6	-45.4	0	0	0	0	111.4	M382 L384 K396	T213-M382 CarbonylContact C-O 3.6Å; T213-M382 WeakPolarHBondContact CA-O 3.36Å; T213-L384 HydrophobicContact CG2-CD1 3.34Å; T213-L384 HydrophobicContact CG2-CG 3.8Å; T213-K396 HydrophobicContact CG2-CG 3.94Å
214	I	93.9	Very high	87.5	Confident	23 Å²	23	65.9 Å²	65.9	12%	0.118	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.5	178.2	-57.5	-178.7	0	0	0	109.2	V212 L231 T381 M382 I383 L384	V212-I214 HydrophobicContact CG1-CG1 4.3Å; I214-L231 HydrophobicContact CD1-CB 3.89Å; I214-L231 VanDerWaalsContact CD1-O 3.3Å; I214-L231 WeakPolarHBondContact CD1-O 3.39Å; I214-T381 HydrophobicContact CD1-CG2 3.54Å; I214-T381 HydrophobicContact CG1-CG2 3.82Å; I214-M382 PolarHBondContact N-O 3.36Å; I214-I383 WeakPolarHBondContact O-CA 3.47Å; I214-L384 PolarHBondContact O-N 3.13Å
215	P	94.8	Very high	89.7	Confident	56 Å²	56	58.7 Å²	58.7	36%	0.364	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	137	173.7	30.8	-32.5	0	0	0	110.9	L384 L392 K396	P215-L384 CarbonylContact C-O 3.5Å; P215-L384 WeakPolarHBondContact CA-O 3.27Å; P215-L392 HydrophobicContact CB-CD1 4.06Å; P215-L392 HydrophobicContact CB-CD2 3.73Å; P215-L392 HydrophobicContact CB-CG 3.75Å; P215-K396 HydrophobicContact CG-CD 4.28Å
216	M	92.8	Very high	91.6	Very high	24 Å²	24	50.7 Å²	50.7	12%	0.118	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112.3	171.2	-61.5	-163.9	-35.8	0	0	110	F363 I383 L384 C385 H386 L392	M216-F363 HydrophobicContact CE-CB 4.27Å; M216-F363 HydrophobicContact CE-CD1 3.81Å; M216-F363 HydrophobicContact CE-CG 4.37Å; M216-F363 HydrophobicContact SD-CB 3.93Å; M216-F363 HydrophobicContact SD-CD1 4.14Å; M216-F363 HydrophobicContact SD-CG 4.16Å; M216-I383 HydrophobicContact CB-CG2 4.44Å; M216-I383 HydrophobicContact CE-CD1 4.5Å; M216-I383 HydrophobicContact CE-CG2 3.36Å; M216-I383 HydrophobicContact CG-CG2 3.81Å; M216-I383 HydrophobicContact SD-CD1 4.33Å; M216-I383 HydrophobicContact SD-CG2 3.69Å; M216-L384 PolarHBondContact N-O 3.46Å; M216-C385 VanDerWaalsContact CE-SG 3.54Å; M216-C385 WeakPolarHBondContact O-CA 3.49Å; M216-H386 PolarHBondContact O-N 2.94Å; M216-L392 VanDerWaalsContact C-CD2 3.47Å; M216-L392 WeakPolarHBondContact O-CD2 3.31Å
217	E	93.4	Very high	92.9	Very high	110 Å²	110	48.6 Å²	48.6	51%	0.514	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	150.7	179.1	-167.5	-169.7	170.5	0	0	111.7	H386 E389 L392	E217-H386 CarbonylContact C-O 3.55Å; E217-H386 WeakPolarHBondContact CA-O 3.29Å; E217-E389 HydrophobicContact CG-CB 4.27Å; E217-L392 HydrophobicContact CB-CD2 4.11Å
218	G	91.7	Very high	93.8	Very high	51 Å²	51	42.9 Å²	42.9	53%	0.526	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	3.1	169.5	0	0	0	0	0	114.5	H386	G218-H386 PolarHBondContact N-O 3.1Å
219	H	92.7	Very high	94.2	Very high	56 Å²	56	39.7 Å²	39.7	26%	0.259	22%	0.221	S	C	.	.	S	Bend	trans	-114.5	159.6	-177.7	-64	-30.9	0	0	0	112.2	E223 C385 H386 R387	H219-E223 IonicContact CG-OE2 2.65Å; H219-C385 HydrophobicContact CB-CB 3.89Å; H219-H386 CarbonylContact O-C 3.59Å; H219-H386 WeakPolarHBondContact O-CA 3.38Å; H219-H386 PolarHBondContact O-N 3.31Å; H219-R387 PolarHBondContact O-N 3.36Å; H219-R387 VanDerWaalsContact O-N 3.15Å
220	S	95	Very high	94.6	Very high	23 Å²	23	39.6 Å²	39.6	16%	0.161	22%	0.219	C	C	.	.			trans	-64.9	143.9	177.2	-175.5	0	0	0	0	111	L222 E223 C385	S220-L222 PolarHBondContact O-N 2.93Å; S220-L222 PolarHBondContact OG-N 3.34Å; S220-E223 WeakPolarHBondContact CB-OE1 3.35Å; S220-E223 PolarHBondContact N-OE1 3.3Å; S220-E223 VanDerWaalsContact N-OE1 3.17Å; S220-E223 WeakPolarHBondContact O-CB 3.42Å; S220-E223 PolarHBondContact O-N 3.13Å; S220-C385 WeakPolarHBondContact O-CB 3.36Å
221	V	97	Very high	94.7	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-58.9	-32.8	176	-177.2	0	0	0	0	111.3	L178 E182 I186 E223 S224 C385 H386 L395	L178-V221 HydrophobicContact CD2-CG1 4.02Å; L178-V221 HydrophobicContact CD2-CG2 4.03Å; E182-V221 HydrophobicContact CB-CB 4.18Å; E182-V221 HydrophobicContact CB-CG1 4.02Å; E182-V221 HydrophobicContact CG-CB 3.92Å; E182-V221 HydrophobicContact CG-CG1 4.3Å; I186-V221 HydrophobicContact CD1-CG1 3.63Å; I186-V221 HydrophobicContact CG1-CG1 3.57Å; V221-E223 PolarHBondContact O-N 2.87Å; V221-S224 WeakPolarHBondContact O-CB 3.39Å; V221-S224 PolarHBondContact O-N 3.01Å; V221-S224 PolarHBondContact O-OG 3.32Å; V221-C385 WeakPolarHBondContact CA-O 3.43Å; V221-H386 HydrophobicContact CG2-CB 4.45Å; V221-H386 WeakPolarHBondContact CG2-CD2 3.45Å; V221-L395 HydrophobicContact CG1-CD2 4.44Å
222	L	97.2	Very high	94.5	Very high	87 Å²	87	34.2 Å²	34.2	46%	0.455	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-66.1	-17	177.2	-61.2	178.8	0	0	0	113.8	E182 H185 S220 S224	E182-L222 HydrophobicContact CG-CD2 3.9Å; E182-L222 HydrophobicContact CG-CG 4.03Å; H185-L222 HydrophobicContact CB-CD2 3.91Å; H185-L222 PolarHBondContact NE2-O 3.3Å; S220-L222 PolarHBondContact O-N 2.93Å; S220-L222 PolarHBondContact OG-N 3.34Å; L222-S224 VanDerWaalsContact C-N 3.26Å
223	E	95.7	Very high	94	Very high	114 Å²	114	38.2 Å²	38.2	53%	0.533	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-81.9	-5.7	173.6	-65.3	168	-128.2	0	0	112.7	H219 S220 V221 C385	H219-E223 IonicContact CG-OE2 2.65Å; S220-E223 WeakPolarHBondContact CB-OE1 3.35Å; S220-E223 PolarHBondContact N-OE1 3.3Å; S220-E223 VanDerWaalsContact N-OE1 3.17Å; S220-E223 WeakPolarHBondContact O-CB 3.42Å; S220-E223 PolarHBondContact O-N 3.13Å; V221-E223 PolarHBondContact O-N 2.87Å; E223-C385 HydrophobicContact CB-CB 4.45Å
224	S	96.9	Very high	93.1	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.028	22%	0.218	C	C	.	.			trans	-59.1	144.9	171.7	-56.2	0	0	0	0	110.4	H185 L189 V221 L222 I383 C385	H185-S224 PolarHBondContact NE2-O 3.49Å; L189-S224 WeakPolarHBondContact CD1-O 3.18Å; V221-S224 WeakPolarHBondContact O-CB 3.39Å; V221-S224 PolarHBondContact O-N 3.01Å; V221-S224 PolarHBondContact O-OG 3.32Å; L222-S224 VanDerWaalsContact C-N 3.26Å; S224-I383 WeakPolarHBondContact CA-O 3.42Å; S224-I383 VanDerWaalsContact CB-O 3.27Å; S224-I383 WeakPolarHBondContact CB-O 3.39Å; S224-C385 PolarHBondContact OG-N 3.12Å
225	A	96.5	Very high	91.6	Very high	27 Å²	27	41.7 Å²	41.7	22%	0.223	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	158.2	-175.7	0	0	0	0	0	112.3	F227 I383	A225-F227 HydrophobicContact CB-CE2 3.61Å; A225-F227 HydrophobicContact CB-CZ 3.68Å; A225-I383 PolarHBondContact N-O 3.17Å; A225-I383 VanDerWaalsContact N-O 3.13Å; A225-I383 PolarHBondContact O-N 2.88Å
226	V	96.4	Very high	90.3	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.085	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.2	175.5	175	0	0	0	0	109.5	L189 Q192 A193 L196 C380 T381 M382	L189-V226 HydrophobicContact CB-CG2 3.95Å; L189-V226 HydrophobicContact CD2-CG2 4.05Å; L189-V226 HydrophobicContact CG-CG2 4.49Å; Q192-V226 HydrophobicContact CG-CG1 4.48Å; A193-V226 HydrophobicContact CB-CG1 4.11Å; A193-V226 HydrophobicContact CB-CG2 4.01Å; L196-V226 HydrophobicContact CD1-CG1 3.65Å; V226-C380 HydrophobicContact CG1-CB 4.32Å; V226-T381 WeakPolarHBondContact CA-O 3.34Å; V226-M382 HydrophobicContact CG2-CB 4.19Å; V226-M382 HydrophobicContact CG2-CG 3.9Å
227	F	94.1	Very high	88.8	Confident	25 Å²	25	48.8 Å²	48.8	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.1	179.7	-58.5	-83.7	0	0	0	109.6	A225 L231 F363 C380 T381 I383	A225-F227 HydrophobicContact CB-CE2 3.61Å; A225-F227 HydrophobicContact CB-CZ 3.68Å; F227-L231 HydrophobicContact CB-CD1 4.41Å; F227-L231 HydrophobicContact CD2-CD1 3.61Å; F227-L231 HydrophobicContact CE2-CD1 4.17Å; F227-L231 HydrophobicContact CG-CD1 4.14Å; F227-F363 HydrophobicContact CE1-CZ 4.49Å; F227-F363 HydrophobicContact CE2-CE1 4.08Å; F227-F363 AromaticContact CE2-CZ 3.77Å; F227-F363 HydrophobicContact CE2-CZ 3.77Å; F227-F363 AromaticContact CZ-CE1 3.99Å; F227-F363 HydrophobicContact CZ-CE1 3.99Å; F227-F363 AromaticContact CZ-CZ 3.71Å; F227-F363 HydrophobicContact CZ-CZ 3.71Å; F227-C380 CarbonylContact O-C 3.59Å; F227-C380 WeakPolarHBondContact O-CA 3.3Å; F227-C380 WeakPolarHBondContact O-CB 3.42Å; F227-T381 PolarHBondContact N-O 3.33Å; F227-T381 PolarHBondContact O-N 3.14Å; F227-I383 HydrophobicContact CD2-CD1 4.09Å; F227-I383 HydrophobicContact CD2-CG1 4.16Å; F227-I383 HydrophobicContact CE2-CD1 3.54Å; F227-I383 HydrophobicContact CE2-CG1 3.93Å; F227-I383 HydrophobicContact CZ-CD1 4.49Å
228	P	92.7	Very high	87.5	Confident	60 Å²	60	45.5 Å²	45.5	39%	0.39	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	140.1	167.2	-21.9	33.3	0	0	0	110.6	L196 H370 P373	L196-P228 HydrophobicContact CD1-CG 4.33Å; P228-H370 PolarHBondContact O-NE2 3.46Å; P228-P373 HydrophobicContact CB-CG 4.37Å
229	G	93.4	Very high	86	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	84.5	-157.7	-175.8	0	0	0	0	0	114.4	L371 I379 C380 T381	G229-L371 WeakPolarHBondContact CA-O 3.41Å; G229-I379 WeakPolarHBondContact CA-O 3.21Å; G229-I379 PolarHBondContact N-O 3.01Å; G229-C380 CarbonylContact O-C 3.55Å; G229-C380 VanDerWaalsContact O-C 3.22Å; G229-C380 VanDerWaalsContact O-CA 3.32Å; G229-C380 WeakPolarHBondContact O-CA 3.24Å; G229-T381 PolarHBondContact O-N 3.49Å; G229-T381 PolarHBondContact O-OG1 3.35Å
230	L	94.3	Very high	84.7	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.4	-173.5	-71.6	171.9	0	0	0	112.4	V212 P331 L332 L335 L371 I379 T381	V212-L230 HydrophobicContact CB-CD2 4.03Å; V212-L230 HydrophobicContact CG2-CD2 3.48Å; V212-L230 VanDerWaalsContact CG2-CD2 3.48Å; L230-P331 HydrophobicContact CD1-CB 3.82Å; L230-P331 HydrophobicContact CD2-CB 3.83Å; L230-P331 HydrophobicContact CG-CB 4.38Å; L230-L332 HydrophobicContact CD1-CB 4.12Å; L230-L332 HydrophobicContact CD1-CD1 4.19Å; L230-L335 HydrophobicContact CB-CD2 3.85Å; L230-L335 HydrophobicContact CD1-CB 4.27Å; L230-L335 HydrophobicContact CD1-CD2 3.83Å; L230-L335 HydrophobicContact CG-CD2 3.83Å; L230-L371 HydrophobicContact CB-CB 4.22Å; L230-L371 HydrophobicContact CB-CD1 4.4Å; L230-L371 PolarHBondContact N-O 2.96Å; L230-L371 PolarHBondContact O-N 2.62Å; L230-I379 HydrophobicContact CD1-CG2 4.36Å; L230-I379 HydrophobicContact CD2-CG2 3.62Å; L230-I379 HydrophobicContact CG-CG2 3.72Å; L230-T381 VanDerWaalsContact CA-OG1 3.28Å; L230-T381 WeakPolarHBondContact CA-OG1 3.48Å
231	L	93.2	Very high	82.8	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.2	166.6	-60.2	168.8	0	0	0	109.7	I214 F227 F363 K368 L369 H370 T381 I383	I214-L231 HydrophobicContact CD1-CB 3.89Å; I214-L231 VanDerWaalsContact CD1-O 3.3Å; I214-L231 WeakPolarHBondContact CD1-O 3.39Å; F227-L231 HydrophobicContact CB-CD1 4.41Å; F227-L231 HydrophobicContact CD2-CD1 3.61Å; F227-L231 HydrophobicContact CE2-CD1 4.17Å; F227-L231 HydrophobicContact CG-CD1 4.14Å; L231-F363 HydrophobicContact CD1-CE2 4.18Å; L231-F363 HydrophobicContact CD1-CZ 4.18Å; L231-F363 HydrophobicContact CD2-CE2 4.42Å; L231-K368 HydrophobicContact CB-CD 4.27Å; L231-L369 CarbonylContact C-O 3.57Å; L231-L369 WeakPolarHBondContact CA-O 3.46Å; L231-H370 HydrophobicContact CD2-CB 3.48Å; L231-H370 VanDerWaalsContact CD2-CB 3.48Å; L231-T381 HydrophobicContact CB-CG2 4.01Å; L231-T381 HydrophobicContact CD1-CG2 3.85Å; L231-T381 HydrophobicContact CG-CG2 4.06Å; L231-T381 PolarHBondContact N-OG1 2.93Å; L231-T381 VanDerWaalsContact N-OG1 3.11Å; L231-I383 HydrophobicContact CD1-CD1 3.55Å; L231-I383 HydrophobicContact CD1-CG1 3.83Å
232	L	91.4	Very high	80.8	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.8	177	-57.1	-176.5	0	0	0	110.3	I321 L324 L328 K368 L369 L371	L232-I321 HydrophobicContact CB-CD1 4.16Å; L232-I321 HydrophobicContact CD1-CD1 3.66Å; L232-L324 HydrophobicContact CD1-CD1 3.97Å; L232-L324 HydrophobicContact CD2-CD1 3.71Å; L232-L324 HydrophobicContact CG-CD1 4.43Å; L232-L328 HydrophobicContact CD2-CD1 3.92Å; L232-K368 CarbonylContact O-C 3.53Å; L232-K368 WeakPolarHBondContact O-CA 3.48Å; L232-L369 HydrophobicContact CB-CB 4.4Å; L232-L369 PolarHBondContact N-O 2.68Å; L232-L369 PolarHBondContact O-N 2.9Å; L232-L371 HydrophobicContact CD1-CD1 3.61Å; L232-L371 HydrophobicContact CD1-CG 4.32Å; L232-L371 HydrophobicContact CG-CD1 4.15Å
233	D	85.8	Confident	79.2	Confident	100 Å²	100	56.8 Å²	56.8	54%	0.535	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.9	172.1	-70.2	-41.5	0	0	0	110	K368	D233-K368 IonicContact OD1-NZ 3.21Å; D233-K368 PolarHBondContact OD1-NZ 3.11Å
234	T	76.1	Confident	77.6	Confident	18 Å²	18	56.8 Å²	56.8	11%	0.11	34%	0.341	C	S	.	.			trans	-110.4	131.2	175.6	48.4	0	0	0	0	110.2	E236 I238 T367 L369	T234-E236 PolarHBondContact O-N 3.02Å; T234-I238 HydrophobicContact CG2-CD1 3.68Å; T234-T367 PolarHBondContact OG1-O 3.32Å; T234-L369 HydrophobicContact CG2-CB 3.57Å; T234-L369 HydrophobicContact CG2-CD1 4.39Å; T234-L369 HydrophobicContact CG2-CG 4.4Å
235	P	63.6	Low	76.8	Confident	96 Å²	96	59.9 Å²	59.9	62%	0.623	36%	0.363	S	S	*	.	S	Bend	trans	-70.1	-17.5	-179.2	26.3	-32.9	0	0	0	113.4
236	E	66.8	Low	76.3	Confident	102 Å²	102	61.4 Å²	61.4	48%	0.477	37%	0.371	S	S	.	.	S	Bend	trans	-133.1	155.9	-174.1	-65.9	174.3	-166.4	0	0	110.9	T234 I238 R314	T234-E236 PolarHBondContact O-N 3.02Å; E236-I238 VanDerWaalsContact C-N 3.33Å; E236-I238 PolarHBondContact O-N 3.39Å; E236-R314 IonicContact OE1-CZ 3.6Å; E236-R314 IonicContact OE1-NE 3.6Å; E236-R314 PolarHBondContact OE1-NE 3.12Å; E236-R314 IonicContact OE1-NH1 3.86Å
237	N	61.8	Low	76	Confident	127 Å²	127	61.1 Å²	61.1	68%	0.679	37%	0.369	S	S	*	.			trans	-71.8	91.5	169.2	-79.2	-27.7	0	0	0	109	S239 T367	N237-S239 PolarHBondContact O-N 3.3Å; N237-T367 WeakPolarHBondContact OD1-CG2 3.08Å; N237-T367 PolarHBondContact OD1-OG1 3.23Å; N237-T367 VanDerWaalsContact OD1-OG1 3.12Å
238	I	64.9	Low	76	Confident	42 Å²	42	62.3 Å²	62.3	22%	0.215	37%	0.372	C	S	.	.			trans	-75.8	114	177.5	-54.2	170.6	0	0	0	108.3	T234 E236 L240 I319	T234-I238 HydrophobicContact CG2-CD1 3.68Å; E236-I238 VanDerWaalsContact C-N 3.33Å; E236-I238 PolarHBondContact O-N 3.39Å; I238-L240 VanDerWaalsContact C-N 3.31Å; I238-L240 HydrophobicContact CB-CD1 4.28Å; I238-L240 HydrophobicContact CG2-CD1 3.57Å; I238-L240 HydrophobicContact CG2-CG 4.19Å; I238-L240 PolarHBondContact O-N 3.3Å; I238-L240 VanDerWaalsContact O-N 3.11Å; I238-I319 HydrophobicContact CD1-CD1 4.44Å; I238-I319 HydrophobicContact CD1-CG1 4.23Å; I238-I319 HydrophobicContact CD1-CG2 3.61Å; I238-I319 HydrophobicContact CG2-CD1 4.21Å; I238-I319 HydrophobicContact CG2-CG1 4.25Å
239	S	61.5	Low	76.1	Confident	120 Å²	120	59.4 Å²	59.4	84%	0.839	35%	0.354	S	S	*	.			trans	-80.3	81.8	165.6	-56.2	0	0	0	0	108.6	N237 G241	N237-S239 PolarHBondContact O-N 3.3Å; S239-G241 PolarHBondContact O-N 3.47Å
240	L	64.4	Low	76.2	Confident	36 Å²	36	59.4 Å²	59.4	19%	0.188	35%	0.354	C	S	.	.			trans	-64.5	116.5	164	-91.2	108.3	0	0	0	106.7	I238 L243 L247 I319 V358 V360 L369	I238-L240 VanDerWaalsContact C-N 3.31Å; I238-L240 HydrophobicContact CB-CD1 4.28Å; I238-L240 HydrophobicContact CG2-CD1 3.57Å; I238-L240 HydrophobicContact CG2-CG 4.19Å; I238-L240 PolarHBondContact O-N 3.3Å; I238-L240 VanDerWaalsContact O-N 3.11Å; L240-L243 HydrophobicContact CD2-CB 4.28Å; L240-L243 HydrophobicContact CD2-CD1 3.36Å; L240-L243 HydrophobicContact CD2-CG 4.17Å; L240-L243 HydrophobicContact CG-CD1 4.08Å; L240-L247 HydrophobicContact CD2-CD1 4.46Å; L240-I319 HydrophobicContact CD1-CD1 3.88Å; L240-I319 HydrophobicContact CD2-CD1 4.46Å; L240-I319 HydrophobicContact CG-CD1 4.31Å; L240-V358 HydrophobicContact CD1-CG1 4.37Å; L240-V358 HydrophobicContact CD2-CB 4.29Å; L240-V358 HydrophobicContact CD2-CG1 4.17Å; L240-V360 HydrophobicContact CB-CG2 4.2Å; L240-V360 HydrophobicContact CD1-CG2 3.31Å; L240-V360 HydrophobicContact CG-CG2 4.34Å; L240-L369 HydrophobicContact CD1-CD1 3.84Å
241	G	56	Low	76.3	Confident	53 Å²	53	59.4 Å²	59.4	55%	0.546	35%	0.354	S	S	.	.			trans	-56.3	175.2	159.8	0	0	0	0	0	110.1	S239 L243	S239-G241 PolarHBondContact O-N 3.47Å; G241-L243 PolarHBondContact O-N 2.98Å
242	N	54.5	Low	76.4	Confident	167 Å²	167	59.3 Å²	59.3	89%	0.893	35%	0.353	S	S	*	.			trans	-64.4	78.7	176	-72	-15.9	0	0	0	110.9	C244	N242-C244 PolarHBondContact O-N 3.19Å
243	L	62.5	Low	76.4	Confident	80 Å²	80	60.5 Å²	60.5	42%	0.419	36%	0.362	S	S	.	.			trans	-82.6	91.4	175.8	-67.8	178.9	0	0	0	107.4	L240 G241 L247	L240-L243 HydrophobicContact CD2-CB 4.28Å; L240-L243 HydrophobicContact CD2-CD1 3.36Å; L240-L243 HydrophobicContact CD2-CG 4.17Å; L240-L243 HydrophobicContact CG-CD1 4.08Å; G241-L243 PolarHBondContact O-N 2.98Å; L243-L247 HydrophobicContact CD1-CD1 4.23Å; L243-L247 HydrophobicContact CD1-CD2 3.9Å
244	C	62.3	Low	76.6	Confident	114 Å²	114	55.8 Å²	55.8	77%	0.77	34%	0.337	S	S	*	.			trans	-79.8	-17.7	175.8	-70.9	0	0	0	0	113	N242	N242-C244 PolarHBondContact O-N 3.19Å
245	S	80.1	Confident	77.3	Confident	70 Å²	70	55.6 Å²	55.6	49%	0.49	34%	0.336	S	S	.	.	S	Bend	trans	-88.7	150.7	-178.3	56.8	0	0	0	0	112.5
246	P	86.6	Confident	78.6	Confident	58 Å²	58	51 Å²	51	38%	0.377	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-59.9	140.9	171	26.2	-32.2	0	0	0	110	E355	P246-E355 HydrophobicContact CB-CB 4.45Å
247	L	90.3	Very high	79.6	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.2	176.7	-60.2	-175.6	0	0	0	109.2	L240 L243 K297 E355 V356 V358	L240-L247 HydrophobicContact CD2-CD1 4.46Å; L243-L247 HydrophobicContact CD1-CD1 4.23Å; L243-L247 HydrophobicContact CD1-CD2 3.9Å; L247-K297 HydrophobicContact CB-CB 4.22Å; L247-K297 HydrophobicContact CD1-CB 4.36Å; L247-K297 HydrophobicContact CD2-CB 3.95Å; L247-K297 HydrophobicContact CD2-CG 4.2Å; L247-K297 HydrophobicContact CG-CB 4.41Å; L247-E355 WeakPolarHBondContact O-CA 3.36Å; L247-V356 PolarHBondContact N-O 3.33Å; L247-V356 PolarHBondContact O-N 2.73Å; L247-V358 HydrophobicContact CD1-CB 3.91Å; L247-V358 HydrophobicContact CD1-CG2 3.72Å; L247-V358 HydrophobicContact CG-CG2 4.35Å
248	R	93.2	Very high	80.4	Confident	50 Å²	50	42.7 Å²	42.7	19%	0.189	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.8	167.6	-172.3	173.4	-70.6	154.4	2.7	109.7	D294 V296 K297 L298 Y353 G354	R248-D294 VanDerWaalsContact CD-O 3.28Å; R248-D294 WeakPolarHBondContact CD-O 3.28Å; R248-D294 PolarHBondContact NH1-O 2.81Å; R248-V296 HydrophobicContact CG-CG2 4.28Å; R248-K297 PolarHBondContact O-N 3.44Å; R248-L298 PolarHBondContact O-N 3.49Å; R248-Y353 HydrophobicContact CG-CD1 4.25Å; R248-Y353 HydrophobicContact CG-CG 4.21Å; R248-G354 WeakPolarHBondContact CA-O 3.29Å
249	M	94.3	Very high	80.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155	-178.2	74.4	168.2	-73.5	0	0	113.2	L251 L298 V300 L332 T336 Y353 G354 V356	M249-L251 HydrophobicContact CE-CB 4.46Å; M249-L298 CarbonylContact C-O 3.58Å; M249-L298 WeakPolarHBondContact CA-O 3.42Å; M249-L298 HydrophobicContact CB-CB 3.75Å; M249-L298 HydrophobicContact CB-CD2 4.02Å; M249-L298 HydrophobicContact CB-CG 4.03Å; M249-L298 WeakPolarHBondContact CB-O 3.39Å; M249-L298 HydrophobicContact CE-CD2 4.24Å; M249-L298 HydrophobicContact SD-CD2 4.03Å; M249-V300 HydrophobicContact CE-CB 4.4Å; M249-V300 HydrophobicContact CE-CG2 3.85Å; M249-L332 HydrophobicContact CE-CD1 4.2Å; M249-L332 HydrophobicContact CE-CD2 4.06Å; M249-L332 HydrophobicContact CE-CG 4.17Å; M249-T336 HydrophobicContact CE-CG2 4.47Å; M249-T336 WeakPolarHBondContact SD-CB 3.44Å; M249-T336 HydrophobicContact SD-CG2 3.39Å; M249-T336 WeakPolarHBondContact SD-CG2 3.41Å; M249-T336 PolarHBondContact SD-OG1 3.18Å; M249-Y353 WeakPolarHBondContact O-CA 3.42Å; M249-G354 PolarHBondContact N-O 2.87Å; M249-G354 PolarHBondContact O-N 3.4Å; M249-V356 HydrophobicContact CG-CG1 4.48Å; M249-V356 HydrophobicContact SD-CB 4.45Å; M249-V356 HydrophobicContact SD-CG1 3.92Å
250	V	96	Very high	80.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.9	171	68.5	0	0	0	0	109.9	F252 V296 L298 F299 V300 V341 V348 Y353	V250-F252 HydrophobicContact CB-CE2 4.25Å; V250-F252 HydrophobicContact CG1-CD2 4.3Å; V250-F252 HydrophobicContact CG1-CE2 3.74Å; V250-F252 HydrophobicContact CG2-CD2 4.13Å; V250-F252 HydrophobicContact CG2-CE2 3.48Å; V250-F252 VanDerWaalsContact CG2-CE2 3.48Å; V250-F252 HydrophobicContact CG2-CZ 4.03Å; V250-V296 HydrophobicContact CB-CG1 4.45Å; V250-V296 HydrophobicContact CG1-CG1 4.03Å; V250-L298 PolarHBondContact N-O 3.46Å; V250-F299 HydrophobicContact CG1-CB 4.37Å; V250-F299 HydrophobicContact CG1-CD2 3.37Å; V250-F299 HydrophobicContact CG1-CE2 3.77Å; V250-F299 HydrophobicContact CG1-CG 3.97Å; V250-V300 PolarHBondContact O-N 2.7Å; V250-V341 HydrophobicContact CG2-CG2 4.24Å; V250-V348 HydrophobicContact CG2-CG1 4.01Å; V250-Y353 HydrophobicContact CB-CD1 4.01Å; V250-Y353 HydrophobicContact CB-CE1 3.95Å; V250-Y353 HydrophobicContact CG2-CD1 4.33Å; V250-Y353 HydrophobicContact CG2-CE1 4.09Å
251	L	96.1	Very high	80.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.2	-179.5	179	59.8	0	0	0	110.2	M249 V300 L324 M329 L332 I333 A338 P340 V341	M249-L251 HydrophobicContact CE-CB 4.46Å; L251-V300 CarbonylContact C-O 3.59Å; L251-V300 WeakPolarHBondContact CA-O 3.36Å; L251-V300 HydrophobicContact CD1-CB 3.84Å; L251-V300 HydrophobicContact CD1-CG1 3.72Å; L251-L324 HydrophobicContact CD1-CD2 4.43Å; L251-M329 HydrophobicContact CD1-CE 3.95Å; L251-M329 HydrophobicContact CD1-SD 3.85Å; L251-M329 HydrophobicContact CD2-CE 3.78Å; L251-M329 HydrophobicContact CD2-SD 4.25Å; L251-M329 HydrophobicContact CG-CE 3.82Å; L251-M329 HydrophobicContact CG-SD 4.35Å; L251-L332 HydrophobicContact CD1-CD2 3.84Å; L251-L332 HydrophobicContact CD2-CD2 4.14Å; L251-L332 HydrophobicContact CD2-CG 4.48Å; L251-I333 HydrophobicContact CD2-CD1 4.42Å; L251-I333 HydrophobicContact CD2-CG1 3.71Å; L251-A338 HydrophobicContact CB-CB 4.28Å; L251-P340 HydrophobicContact CD2-CG 4.15Å; L251-P340 CarbonylContact O-C 3.54Å; L251-P340 WeakPolarHBondContact O-CA 3.3Å; L251-V341 PolarHBondContact O-N 3.29Å
252	F	95.1	Very high	80.9	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134	176.1	-73.1	-94	0	0	0	111.6	V250 L256 L287 F299 V300 C301 Q302 V341 V348	V250-F252 HydrophobicContact CB-CE2 4.25Å; V250-F252 HydrophobicContact CG1-CD2 4.3Å; V250-F252 HydrophobicContact CG1-CE2 3.74Å; V250-F252 HydrophobicContact CG2-CD2 4.13Å; V250-F252 HydrophobicContact CG2-CE2 3.48Å; V250-F252 VanDerWaalsContact CG2-CE2 3.48Å; V250-F252 HydrophobicContact CG2-CZ 4.03Å; F252-L256 HydrophobicContact CB-CD1 4.16Å; F252-L256 HydrophobicContact CB-CG 4.41Å; F252-L256 HydrophobicContact CD1-CD1 4.3Å; F252-L256 HydrophobicContact CD1-CD2 3.93Å; F252-L256 HydrophobicContact CD2-CD1 4.08Å; F252-L256 HydrophobicContact CE1-CD2 4.46Å; F252-L256 HydrophobicContact CG-CD1 3.92Å; F252-L256 HydrophobicContact CG-CD2 4.27Å; F252-L256 HydrophobicContact CG-CG 4.44Å; F252-L287 HydrophobicContact CE1-CD2 4.04Å; F252-L287 HydrophobicContact CZ-CD1 3.97Å; F252-L287 HydrophobicContact CZ-CD2 3.78Å; F252-L287 HydrophobicContact CZ-CG 4.41Å; F252-F299 AromaticContact CD2-CE1 3.94Å; F252-F299 HydrophobicContact CD2-CE1 3.94Å; F252-F299 HydrophobicContact CD2-CE2 4.05Å; F252-F299 AromaticContact CD2-CZ 3.53Å; F252-F299 HydrophobicContact CD2-CZ 3.53Å; F252-F299 HydrophobicContact CE2-CD2 4.36Å; F252-F299 HydrophobicContact CE2-CE1 4.19Å; F252-F299 AromaticContact CE2-CE2 3.46Å; F252-F299 HydrophobicContact CE2-CE2 3.46Å; F252-F299 VanDerWaalsContact CE2-CE2 3.46Å; F252-F299 AromaticContact CE2-CZ 3.35Å; F252-F299 HydrophobicContact CE2-CZ 3.35Å; F252-F299 HydrophobicContact CZ-CE2 4.3Å; F252-F299 HydrophobicContact CZ-CZ 4.21Å; F252-V300 PolarHBondContact N-O 3.44Å; F252-C301 HydrophobicContact CB-CB 4.38Å; F252-Q302 WeakPolarHBondContact O-CB 3.35Å; F252-Q302 PolarHBondContact O-N 3.34Å; F252-V341 WeakPolarHBondContact CA-O 3.21Å; F252-V341 HydrophobicContact CD1-CB 3.65Å; F252-V341 HydrophobicContact CD1-CG1 3.8Å; F252-V341 HydrophobicContact CE1-CB 3.64Å; F252-V341 HydrophobicContact CE1-CG1 3.45Å; F252-V341 VanDerWaalsContact CE1-CG1 3.45Å; F252-V341 HydrophobicContact CE1-CG2 4.34Å; F252-V341 HydrophobicContact CG-CB 4.27Å; F252-V341 HydrophobicContact CZ-CB 4.25Å; F252-V341 HydrophobicContact CZ-CG1 4.26Å; F252-V341 HydrophobicContact CZ-CG2 4.49Å; F252-V348 HydrophobicContact CE1-CG2 4.46Å; F252-V348 HydrophobicContact CZ-CG2 3.84Å
253	S	93.3	Very high	81.2	Confident	29 Å²	29	43.4 Å²	43.4	20%	0.203	26%	0.259	C	S	.	.			trans	-97.1	-22.4	166.5	58.7	0	0	0	0	112.5	K303 V341 A342	S253-K303 VanDerWaalsContact O-CE 3.28Å; S253-K303 WeakPolarHBondContact O-CE 3.38Å; S253-V341 PolarHBondContact N-O 3.38Å; S253-V341 PolarHBondContact OG-O 2.88Å; S253-A342 WeakPolarHBondContact OG-CA 3.5Å
254	A	89.6	Confident	81.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.008	27%	0.266	C	S	.	.	S	Bend	trans	-68.1	153	174.6	0	0	0	0	0	112.3	E262 C301 V341	A254-E262 WeakPolarHBondContact CA-OE1 3.23Å; A254-E262 WeakPolarHBondContact CB-OE2 3.4Å; A254-C301 PolarHBondContact O-SG 3.49Å; A254-C301 VanDerWaalsContact O-SG 3.41Å; A254-V341 PolarHBondContact N-O 3.34Å
255	S	90.3	Very high	81.1	Confident	14 Å²	14	45.9 Å²	45.9	10%	0.098	28%	0.278	C	S	.	.			trans	-68.5	129.7	168.7	-175.5	0	0	0	0	109.5	A257 D259 E262 L344	S255-A257 PolarHBondContact OG-N 3.12Å; S255-D259 WeakPolarHBondContact CB-OD1 3.21Å; S255-D259 PolarHBondContact OG-OD1 2.9Å; S255-E262 PolarHBondContact N-OE1 3.27Å; S255-L344 WeakPolarHBondContact O-CD1 3.3Å
256	L	91	Very high	80.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-106.8	19.2	174.1	-53.7	-171.6	0	0	0	111.4	F252 G258 F299 C301 V304 I305 H306 L344	F252-L256 HydrophobicContact CB-CD1 4.16Å; F252-L256 HydrophobicContact CB-CG 4.41Å; F252-L256 HydrophobicContact CD1-CD1 4.3Å; F252-L256 HydrophobicContact CD1-CD2 3.93Å; F252-L256 HydrophobicContact CD2-CD1 4.08Å; F252-L256 HydrophobicContact CE1-CD2 4.46Å; F252-L256 HydrophobicContact CG-CD1 3.92Å; F252-L256 HydrophobicContact CG-CD2 4.27Å; F252-L256 HydrophobicContact CG-CG 4.44Å; L256-G258 PolarHBondContact O-N 3.29Å; L256-F299 HydrophobicContact CD1-CE1 3.47Å; L256-F299 VanDerWaalsContact CD1-CE1 3.47Å; L256-F299 HydrophobicContact CD1-CZ 3.46Å; L256-F299 VanDerWaalsContact CD1-CZ 3.46Å; L256-C301 HydrophobicContact CD1-CB 4.38Å; L256-V304 CarbonylContact C-O 3.58Å; L256-V304 WeakPolarHBondContact CA-O 3.4Å; L256-V304 PolarHBondContact N-O 3.12Å; L256-I305 HydrophobicContact CB-CB 4.49Å; L256-I305 HydrophobicContact CB-CG1 4.36Å; L256-I305 HydrophobicContact CB-CG2 4.44Å; L256-I305 HydrophobicContact CD1-CG1 4.26Å; L256-H306 VanDerWaalsContact O-CB 3.24Å; L256-H306 WeakPolarHBondContact O-CB 3.35Å; L256-H306 PolarHBondContact O-N 3.22Å; L256-L344 HydrophobicContact CD2-CD1 3.64Å; L256-L344 HydrophobicContact CD2-CD2 3.19Å; L256-L344 HydrophobicContact CD2-CG 3.51Å
257	A	87.5	Confident	79.2	Confident	33 Å²	33	54.6 Å²	54.6	27%	0.273	31%	0.312	S	S	.	.	S	Bend	trans	-76.3	-8	-179.6	0	0	0	0	0	113.1	S255 D259 V304 H306	S255-A257 PolarHBondContact OG-N 3.12Å; A257-D259 VanDerWaalsContact C-N 3.28Å; A257-V304 HydrophobicContact CB-CB 4.28Å; A257-V304 HydrophobicContact CB-CG1 4.26Å; A257-V304 PolarHBondContact N-O 2.86Å; A257-H306 PolarHBondContact O-CD2 2.99Å; A257-H306 VanDerWaalsContact O-CD2 3.31Å
258	G	78.1	Confident	78.1	Confident	21 Å²	21	58.9 Å²	58.9	22%	0.216	33%	0.334	C	S	.	.	S	Bend	trans	78.4	13.4	-173.9	0	0	0	0	0	113.3	L256 I280	L256-G258 PolarHBondContact O-N 3.29Å; G258-I280 VanDerWaalsContact CA-CG2 3.42Å
259	D	72.1	Confident	77.1	Confident	76 Å²	76	65.5 Å²	65.5	41%	0.406	37%	0.367	S	S	.	.			trans	-84.4	136.9	173.5	63.7	-36.3	0	0	0	111	S255 A257 S261	S255-D259 WeakPolarHBondContact CB-OD1 3.21Å; S255-D259 PolarHBondContact OG-OD1 2.9Å; A257-D259 VanDerWaalsContact C-N 3.28Å; D259-S261 VanDerWaalsContact CG-OG 3.31Å; D259-S261 PolarHBondContact O-N 3.24Å; D259-S261 VanDerWaalsContact O-N 3.1Å; D259-S261 WeakPolarHBondContact OD2-CB 3.33Å; D259-S261 PolarHBondContact OD2-OG 3.32Å
260	L	66.4	Low	76	Confident	83 Å²	83	69.2 Å²	69.2	44%	0.435	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-80.8	18.8	179.7	-61.6	171.9	0	0	0	112.5	E262 L263 I268 I280	L260-E262 PolarHBondContact O-N 2.75Å; L260-L263 HydrophobicContact CB-CD1 4.19Å; L260-L263 HydrophobicContact CD2-CD1 3.87Å; L260-L263 PolarHBondContact O-N 3.24Å; L260-I268 HydrophobicContact CB-CD1 4.43Å; L260-I268 HydrophobicContact CD1-CD1 3.54Å; L260-I268 HydrophobicContact CG-CD1 4.45Å; L260-I280 HydrophobicContact CD1-CD1 4.35Å; L260-I280 HydrophobicContact CD2-CD1 4.05Å; L260-I280 HydrophobicContact CG-CD1 4.16Å
261	S	60.7	Low	75.1	Confident	79 Å²	79	76.6 Å²	76.6	55%	0.552	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.6	-172.8	62.5	0	0	0	0	113.2	D259 L263	D259-S261 VanDerWaalsContact CG-OG 3.31Å; D259-S261 PolarHBondContact O-N 3.24Å; D259-S261 VanDerWaalsContact O-N 3.1Å; D259-S261 WeakPolarHBondContact OD2-CB 3.33Å; D259-S261 PolarHBondContact OD2-OG 3.32Å; S261-L263 VanDerWaalsContact C-N 3.35Å
262	E	58.5	Low	73.7	Confident	94 Å²	94	86.4 Å²	86.4	44%	0.439	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-80.8	-10.2	179.2	-59.8	-163.4	165.4	0	0	113.9	A254 S255 L260 G264 K303	A254-E262 WeakPolarHBondContact CA-OE1 3.23Å; A254-E262 WeakPolarHBondContact CB-OE2 3.4Å; S255-E262 PolarHBondContact N-OE1 3.27Å; L260-E262 PolarHBondContact O-N 2.75Å; E262-G264 VanDerWaalsContact C-N 3.29Å; E262-G264 PolarHBondContact O-N 3.46Å; E262-K303 IonicContact OE1-NZ 2.73Å; E262-K303 PolarHBondContact OE1-NZ 3.01Å
263	L	62.2	Low	72.7	Confident	100 Å²	100	90.6 Å²	90.6	52%	0.524	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-80.5	-5.4	178.1	-68.7	170.8	0	0	0	113.8	L260 S261 I268	L260-L263 HydrophobicContact CB-CD1 4.19Å; L260-L263 HydrophobicContact CD2-CD1 3.87Å; L260-L263 PolarHBondContact O-N 3.24Å; S261-L263 VanDerWaalsContact C-N 3.35Å; L263-I268 HydrophobicContact CD1-CD1 4.12Å
264	G	61.5	Low	71.8	Confident	55 Å²	55	91.8 Å²	91.8	57%	0.567	52%	0.518	S	S	*	.			trans	73.3	-170	-176.7	0	0	0	0	0	113.8	E262 G266	E262-G264 VanDerWaalsContact C-N 3.29Å; E262-G264 PolarHBondContact O-N 3.46Å; G264-G266 PolarHBondContact O-N 3.05Å
265	D	59.6	Low	71.5	Confident	191 Å²	191	95.8 Å²	95.8	100%	1.021	54%	0.54	S	S	*	.	S	Bend	trans	-74.3	91.4	176	-79.8	-26.4	0	0	0	110.3
266	G	64	Low	70.9	Confident	60 Å²	60	97.4 Å²	97.4	62%	0.619	55%	0.549	S	S	*	.			trans	-132.3	154.1	178.4	0	0	0	0	0	112.6	G264	G264-G266 PolarHBondContact O-N 3.05Å
267	R	63.5	Low	70.3	Confident	251 Å²	251	102.8 Å²	102.8	95%	0.947	58%	0.578	S	S	*	*			trans	-91.9	121.8	168.6	-68.1	-173.9	-179.9	-166.4	0.1	108.7
268	I	67.5	Low	70.1	Confident	99 Å²	99	103.9 Å²	103.9	51%	0.508	58%	0.584	S	S	.	*			trans	-97.7	117.1	173.7	-58.5	177.5	0	0	0	107.3	L260 L263 V270	L260-I268 HydrophobicContact CB-CD1 4.43Å; L260-I268 HydrophobicContact CD1-CD1 3.54Å; L260-I268 HydrophobicContact CG-CD1 4.45Å; L263-I268 HydrophobicContact CD1-CD1 4.12Å; I268-V270 HydrophobicContact CG2-CG2 4.05Å
269	E	72.4	Confident	70.4	Confident	189 Å²	189	107.7 Å²	107.7	88%	0.883	60%	0.596	S	S	*	*			trans	-85.4	113.5	173.3	-69.8	-172.5	172.4	0	0	109.2
270	V	71.4	Confident	71.1	Confident	77 Å²	77	105.4 Å²	105.4	47%	0.467	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-102.4	126.4	178.4	-175.3	0	0	0	0	108.6	I268 V274 T276	I268-V270 HydrophobicContact CG2-CG2 4.05Å; V270-V274 HydrophobicContact CG1-CB 3.99Å; V270-V274 HydrophobicContact CG1-CG1 4.34Å; V270-T276 HydrophobicContact CB-CG2 4.42Å; V270-T276 HydrophobicContact CG1-CG2 3.71Å; V270-T276 HydrophobicContact CG2-CG2 3.74Å
271	H	75.6	Confident	72.1	Confident	156 Å²	156	103 Å²	103	72%	0.722	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-68	143.7	174.6	-68.3	-65.7	0	0	0	111.2	G273 V274	H271-G273 PolarHBondContact O-N 3.49Å; H271-V274 HydrophobicContact CB-CG2 4.14Å; H271-V274 PolarHBondContact O-N 3.3Å
272	Q	68.6	Low	73.5	Confident	205 Å²	205	104.1 Å²	104.1	96%	0.958	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	127	178.4	-85.7	-174.8	-18.1	0	0	111.4
273	G	73.1	Confident	74.9	Confident	89 Å²	89	104.6 Å²	104.6	92%	0.918	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.1	-0.7	178.7	0	0	0	0	0	115.3	H271	H271-G273 PolarHBondContact O-N 3.49Å
274	V	75.4	Confident	76.3	Confident	54 Å²	54	100 Å²	100	33%	0.327	55%	0.55	S	S	.	*			trans	-86.7	121.4	174.1	177.1	0	0	0	0	110.1	V270 H271 T276 Q279	V270-V274 HydrophobicContact CG1-CB 3.99Å; V270-V274 HydrophobicContact CG1-CG1 4.34Å; H271-V274 HydrophobicContact CB-CG2 4.14Å; H271-V274 PolarHBondContact O-N 3.3Å; V274-T276 PolarHBondContact O-N 2.83Å; V274-Q279 HydrophobicContact CG1-CG 4.35Å
275	D	81.3	Confident	77.8	Confident	85 Å²	85	99.2 Å²	99.2	46%	0.455	53%	0.533	S	S	.	.			trans	-84.1	101.4	166.6	-178.9	2.3	0	0	0	109.3	D277 S278 Q279	D275-D277 VanDerWaalsContact C-N 3.26Å; D275-D277 PolarHBondContact O-N 3.43Å; D275-D277 WeakPolarHBondContact OD1-CB 3.42Å; D275-D277 PolarHBondContact OD1-N 3.34Å; D275-S278 VanDerWaalsContact CG-OG 3.31Å; D275-S278 PolarHBondContact O-N 2.88Å; D275-S278 PolarHBondContact OD1-N 3.49Å; D275-S278 WeakPolarHBondContact OD2-CB 3.48Å; D275-S278 PolarHBondContact OD2-OG 3.41Å; D275-Q279 PolarHBondContact O-N 3.24Å
276	T	77.9	Confident	79.5	Confident	49 Å²	49	95.2 Å²	95.2	30%	0.301	51%	0.508	S	S	.	.	H	α-helix	trans	-63.5	-32.4	179.4	46.9	0	0	0	0	112.7	V270 V274 Q279 I280	V270-T276 HydrophobicContact CB-CG2 4.42Å; V270-T276 HydrophobicContact CG1-CG2 3.71Å; V270-T276 HydrophobicContact CG2-CG2 3.74Å; V274-T276 PolarHBondContact O-N 2.83Å; T276-Q279 PolarHBondContact O-N 2.91Å; T276-I280 VanDerWaalsContact O-CG1 3.32Å; T276-I280 WeakPolarHBondContact O-CG1 3.36Å; T276-I280 PolarHBondContact O-N 3.48Å
277	D	79.4	Confident	80.8	Confident	112 Å²	112	93 Å²	93	60%	0.599	48%	0.482	S	S	*	.	H	α-helix	trans	-69.7	-41.6	-177.3	-65.5	-14.8	0	0	0	109.6	D275 Q279 I280 V281	D275-D277 VanDerWaalsContact C-N 3.26Å; D275-D277 PolarHBondContact O-N 3.43Å; D275-D277 WeakPolarHBondContact OD1-CB 3.42Å; D275-D277 PolarHBondContact OD1-N 3.34Å; D277-Q279 PolarHBondContact O-N 3.03Å; D277-I280 PolarHBondContact O-N 2.88Å; D277-V281 VanDerWaalsContact O-CG2 3.31Å; D277-V281 WeakPolarHBondContact O-CG2 3.38Å; D277-V281 PolarHBondContact O-N 3.32Å
278	S	83.9	Confident	82.3	Confident	57 Å²	57	81.1 Å²	81.1	40%	0.399	44%	0.437	S	S	.	.	H	α-helix	trans	-62.7	-41.1	174.3	-70.7	0	0	0	0	112	D275 I280 V281 D282	D275-S278 VanDerWaalsContact CG-OG 3.31Å; D275-S278 PolarHBondContact O-N 2.88Å; D275-S278 PolarHBondContact OD1-N 3.49Å; D275-S278 WeakPolarHBondContact OD2-CB 3.48Å; D275-S278 PolarHBondContact OD2-OG 3.41Å; S278-I280 PolarHBondContact O-N 2.89Å; S278-V281 PolarHBondContact O-N 2.79Å; S278-D282 WeakPolarHBondContact O-CB 3.23Å; S278-D282 VanDerWaalsContact O-CG 3.28Å; S278-D282 PolarHBondContact O-N 3.31Å
279	Q	84.2	Confident	83.6	Confident	100 Å²	100	81.1 Å²	81.1	47%	0.467	43%	0.433	S	S	.	.	H	α-helix	trans	-63.2	-40.5	176.3	-71.4	-171.3	-12.9	0	0	113.1	V274 D275 T276 D277 D282 Q283	V274-Q279 HydrophobicContact CG1-CG 4.35Å; D275-Q279 PolarHBondContact O-N 3.24Å; T276-Q279 PolarHBondContact O-N 2.91Å; D277-Q279 PolarHBondContact O-N 3.03Å; Q279-D282 PolarHBondContact O-N 3.29Å; Q279-Q283 WeakPolarHBondContact O-CG 3.45Å; Q279-Q283 PolarHBondContact O-N 3.47Å
280	I	85.7	Confident	84.6	Confident	28 Å²	28	74 Å²	74	14%	0.144	40%	0.4	C	S	.	.	H	α-helix	trans	-66.3	-43.3	177.3	-68.6	167.1	0	0	0	110.2	G258 L260 T276 D277 S278 D282 Q283 L284	G258-I280 VanDerWaalsContact CA-CG2 3.42Å; L260-I280 HydrophobicContact CD1-CD1 4.35Å; L260-I280 HydrophobicContact CD2-CD1 4.05Å; L260-I280 HydrophobicContact CG-CD1 4.16Å; T276-I280 VanDerWaalsContact O-CG1 3.32Å; T276-I280 WeakPolarHBondContact O-CG1 3.36Å; T276-I280 PolarHBondContact O-N 3.48Å; D277-I280 PolarHBondContact O-N 2.88Å; S278-I280 PolarHBondContact O-N 2.89Å; I280-D282 VanDerWaalsContact C-N 3.34Å; I280-D282 PolarHBondContact O-N 3.26Å; I280-Q283 PolarHBondContact O-N 3.18Å; I280-L284 HydrophobicContact CG2-CD1 4.14Å; I280-L284 VanDerWaalsContact O-CG 3.32Å; I280-L284 WeakPolarHBondContact O-CG 3.26Å; I280-L284 PolarHBondContact O-N 3Å
281	V	87.8	Confident	85.7	Confident	33 Å²	33	70.4 Å²	70.4	20%	0.2	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-42.1	176.2	172.5	0	0	0	0	111.2	D277 S278 Q283 L284 L285 V308	D277-V281 VanDerWaalsContact O-CG2 3.31Å; D277-V281 WeakPolarHBondContact O-CG2 3.38Å; D277-V281 PolarHBondContact O-N 3.32Å; S278-V281 PolarHBondContact O-N 2.79Å; V281-Q283 PolarHBondContact O-N 2.68Å; V281-L284 PolarHBondContact O-N 3.45Å; V281-L285 HydrophobicContact CG1-CD1 4.03Å; V281-L285 HydrophobicContact CG1-CG 4.39Å; V281-L285 WeakPolarHBondContact O-CB 3.32Å; V281-L285 WeakPolarHBondContact O-CG 2.86Å; V281-L285 PolarHBondContact O-N 3.1Å; V281-V308 HydrophobicContact CG1-CB 4.37Å; V281-V308 HydrophobicContact CG1-CG1 3.87Å
282	D	89.7	Confident	86.6	Confident	102 Å²	102	64.9 Å²	64.9	55%	0.545	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-42.1	176.7	-75.6	-22.4	0	0	0	111.9	S278 Q279 I280 L285 E286	S278-D282 WeakPolarHBondContact O-CB 3.23Å; S278-D282 VanDerWaalsContact O-CG 3.28Å; S278-D282 PolarHBondContact O-N 3.31Å; Q279-D282 PolarHBondContact O-N 3.29Å; I280-D282 VanDerWaalsContact C-N 3.34Å; I280-D282 PolarHBondContact O-N 3.26Å; D282-L285 PolarHBondContact O-N 3.06Å; D282-E286 PolarHBondContact O-N 3.47Å
283	Q	88.4	Confident	87.8	Confident	104 Å²	104	63.4 Å²	63.4	49%	0.486	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-44.4	174.4	-73.9	177.9	13.6	0	0	112.1	Q279 I280 V281 L285 E286 L287	Q279-Q283 WeakPolarHBondContact O-CG 3.45Å; Q279-Q283 PolarHBondContact O-N 3.47Å; I280-Q283 PolarHBondContact O-N 3.18Å; V281-Q283 PolarHBondContact O-N 2.68Å; Q283-L285 VanDerWaalsContact C-N 3.33Å; Q283-L285 PolarHBondContact O-N 2.96Å; Q283-E286 PolarHBondContact O-N 3.18Å; Q283-L287 PolarHBondContact O-N 3.42Å
284	L	91.9	Very high	88.8	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-40.5	176.7	-70.5	170.9	0	0	0	111.6	I280 V281 L287 G288 H306 L309 L344	I280-L284 HydrophobicContact CG2-CD1 4.14Å; I280-L284 VanDerWaalsContact O-CG 3.32Å; I280-L284 WeakPolarHBondContact O-CG 3.26Å; I280-L284 PolarHBondContact O-N 3Å; V281-L284 PolarHBondContact O-N 3.45Å; L284-L287 WeakPolarHBondContact O-CB 3.5Å; L284-L287 PolarHBondContact O-N 3.45Å; L284-G288 PolarHBondContact O-N 3.45Å; L284-H306 HydrophobicContact CD1-CB 3.67Å; L284-L309 HydrophobicContact CB-CB 4.37Å; L284-L309 HydrophobicContact CB-CD2 4.26Å; L284-L309 HydrophobicContact CD2-CD2 4.09Å; L284-L309 WeakPolarHBondContact O-CD1 3.45Å; L284-L344 HydrophobicContact CD2-CD1 4.01Å; L284-L344 HydrophobicContact CD2-CD2 4.02Å
285	L	93.4	Very high	89.7	Confident	39 Å²	39	64.8 Å²	64.8	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-36.8	176	-74.9	174	0	0	0	112	V281 D282 Q283 G288 K289 V308 Y312	V281-L285 HydrophobicContact CG1-CD1 4.03Å; V281-L285 HydrophobicContact CG1-CG 4.39Å; V281-L285 WeakPolarHBondContact O-CB 3.32Å; V281-L285 WeakPolarHBondContact O-CG 2.86Å; V281-L285 PolarHBondContact O-N 3.1Å; D282-L285 PolarHBondContact O-N 3.06Å; Q283-L285 VanDerWaalsContact C-N 3.33Å; Q283-L285 PolarHBondContact O-N 2.96Å; L285-G288 WeakPolarHBondContact O-CA 3.29Å; L285-G288 PolarHBondContact O-N 3.05Å; L285-G288 VanDerWaalsContact O-N 3.16Å; L285-K289 WeakPolarHBondContact O-CG 3.36Å; L285-K289 PolarHBondContact O-N 3.39Å; L285-V308 HydrophobicContact CD1-CG1 4.38Å; L285-V308 HydrophobicContact CD2-CG1 4.07Å; L285-V308 HydrophobicContact CG-CG1 4.35Å; L285-Y312 HydrophobicContact CD2-CD1 4.32Å; L285-Y312 HydrophobicContact CD2-CD2 4.07Å; L285-Y312 HydrophobicContact CD2-CG 3.83Å
286	E	93.4	Very high	90.3	Very high	106 Å²	106	60.8 Å²	60.8	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-40.4	175	-163.9	56.5	-144.5	0	0	111.6	D282 Q283 G288 K289 Q290	D282-E286 PolarHBondContact O-N 3.47Å; Q283-E286 PolarHBondContact O-N 3.18Å; E286-G288 VanDerWaalsContact C-N 3.31Å; E286-G288 PolarHBondContact O-N 3.04Å; E286-K289 PolarHBondContact O-N 3.25Å; E286-K289 WeakPolarHBondContact OE2-CD 3.39Å; E286-K289 IonicContact OE2-NZ 2.78Å; E286-K289 PolarHBondContact OE2-NZ 3.35Å; E286-Q290 PolarHBondContact O-N 3.05Å
287	L	92.9	Very high	91	Very high	15 Å²	15	62.8 Å²	62.8	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-58	-45.5	169	173	65.1	0	0	0	111.3	F252 Q283 L284 K289 Q290 V291 L344 V348	F252-L287 HydrophobicContact CE1-CD2 4.04Å; F252-L287 HydrophobicContact CZ-CD1 3.97Å; F252-L287 HydrophobicContact CZ-CD2 3.78Å; F252-L287 HydrophobicContact CZ-CG 4.41Å; Q283-L287 PolarHBondContact O-N 3.42Å; L284-L287 WeakPolarHBondContact O-CB 3.5Å; L284-L287 PolarHBondContact O-N 3.45Å; L287-K289 VanDerWaalsContact C-N 3.32Å; L287-K289 PolarHBondContact O-N 2.82Å; L287-Q290 WeakPolarHBondContact O-CB 3.2Å; L287-Q290 PolarHBondContact O-N 3.24Å; L287-V291 HydrophobicContact CD1-CG2 4.1Å; L287-V291 HydrophobicContact CG-CG2 4.43Å; L287-V291 WeakPolarHBondContact O-CB 3.26Å; L287-V291 VanDerWaalsContact O-CG2 3.27Å; L287-V291 WeakPolarHBondContact O-CG2 3.46Å; L287-V291 PolarHBondContact O-N 3.01Å; L287-L344 HydrophobicContact CD2-CD2 3.44Å; L287-L344 VanDerWaalsContact CD2-CD2 3.44Å; L287-V348 HydrophobicContact CD1-CG2 3.65Å
288	G	93.9	Very high	91.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-43.7	175.8	0	0	0	0	0	112.6	L284 L285 E286 V291 L292	L284-G288 PolarHBondContact O-N 3.45Å; L285-G288 WeakPolarHBondContact O-CA 3.29Å; L285-G288 PolarHBondContact O-N 3.05Å; L285-G288 VanDerWaalsContact O-N 3.16Å; E286-G288 VanDerWaalsContact C-N 3.31Å; E286-G288 PolarHBondContact O-N 3.04Å; G288-V291 PolarHBondContact O-N 3.09Å; G288-L292 WeakPolarHBondContact O-CG 3.45Å; G288-L292 PolarHBondContact O-N 3.46Å; G288-L292 VanDerWaalsContact O-N 3.1Å
289	K	95.2	Very high	92.2	Very high	99 Å²	99	54.8 Å²	54.8	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-43.2	175.8	-68.7	175.3	-150.1	156.6	0	112	L285 E286 L287 L292 K293 Y312	L285-K289 WeakPolarHBondContact O-CG 3.36Å; L285-K289 PolarHBondContact O-N 3.39Å; E286-K289 PolarHBondContact O-N 3.25Å; E286-K289 WeakPolarHBondContact OE2-CD 3.39Å; E286-K289 IonicContact OE2-NZ 2.78Å; E286-K289 PolarHBondContact OE2-NZ 3.35Å; L287-K289 VanDerWaalsContact C-N 3.32Å; L287-K289 PolarHBondContact O-N 2.82Å; K289-L292 PolarHBondContact O-N 2.97Å; K289-K293 WeakPolarHBondContact O-CB 3.46Å; K289-K293 PolarHBondContact O-N 3.27Å; K289-Y312 WeakPolarHBondContact CG-OH 3.46Å
290	Q	94.3	Very high	92.7	Very high	41 Å²	41	50 Å²	50	19%	0.192	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-51.6	176.2	-173.8	-167.2	-11.8	0	0	110.3	E286 L287 L292 K293 D294 V348	E286-Q290 PolarHBondContact O-N 3.05Å; L287-Q290 WeakPolarHBondContact O-CB 3.2Å; L287-Q290 PolarHBondContact O-N 3.24Å; Q290-L292 VanDerWaalsContact C-N 3.29Å; Q290-L292 PolarHBondContact O-N 3.49Å; Q290-K293 WeakPolarHBondContact O-CB 3.25Å; Q290-K293 PolarHBondContact O-N 3.19Å; Q290-K293 VanDerWaalsContact O-N 3.08Å; Q290-D294 WeakPolarHBondContact CG-OD2 3.42Å; Q290-D294 PolarHBondContact NE2-OD2 3.37Å; Q290-D294 PolarHBondContact O-N 3.23Å; Q290-V348 PolarHBondContact NE2-O 3.22Å; Q290-V348 VanDerWaalsContact NE2-O 3.16Å
291	V	93.6	Very high	93.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-39.7	-179.5	164.5	0	0	0	0	112.4	L287 G288 D294 E295 V296 F299 L313	L287-V291 HydrophobicContact CD1-CG2 4.1Å; L287-V291 HydrophobicContact CG-CG2 4.43Å; L287-V291 WeakPolarHBondContact O-CB 3.26Å; L287-V291 VanDerWaalsContact O-CG2 3.27Å; L287-V291 WeakPolarHBondContact O-CG2 3.46Å; L287-V291 PolarHBondContact O-N 3.01Å; G288-V291 PolarHBondContact O-N 3.09Å; V291-D294 PolarHBondContact O-N 3.21Å; V291-E295 PolarHBondContact O-N 3.35Å; V291-V296 HydrophobicContact CG1-CB 3.53Å; V291-V296 HydrophobicContact CG1-CG1 3.82Å; V291-V296 HydrophobicContact CG1-CG2 3.93Å; V291-V296 WeakPolarHBondContact O-CB 3.5Å; V291-V296 WeakPolarHBondContact O-CG2 3.27Å; V291-V296 PolarHBondContact O-N 2.99Å; V291-V296 VanDerWaalsContact O-N 3.11Å; V291-F299 HydrophobicContact CG1-CD2 3.91Å; V291-F299 HydrophobicContact CG1-CE2 4.42Å; V291-F299 HydrophobicContact CG2-CD2 4.33Å; V291-F299 HydrophobicContact CG2-CE2 4.06Å; V291-L313 HydrophobicContact CG1-CD2 4.17Å
292	L	94.3	Very high	93.4	Very high	40 Å²	40	49 Å²	49	21%	0.209	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-40.9	175.4	-69.9	176	0	0	0	112.5	G288 K289 Q290 D294 E295 Y312 N316 V318	G288-L292 WeakPolarHBondContact O-CG 3.45Å; G288-L292 PolarHBondContact O-N 3.46Å; G288-L292 VanDerWaalsContact O-N 3.1Å; K289-L292 PolarHBondContact O-N 2.97Å; Q290-L292 VanDerWaalsContact C-N 3.29Å; Q290-L292 PolarHBondContact O-N 3.49Å; L292-D294 PolarHBondContact O-N 2.84Å; L292-E295 PolarHBondContact O-N 3.02Å; L292-E295 VanDerWaalsContact O-N 3.09Å; L292-Y312 HydrophobicContact CD1-CD1 4.48Å; L292-Y312 HydrophobicContact CD1-CE1 3.54Å; L292-N316 HydrophobicContact CD1-CB 3.62Å; L292-N316 VanDerWaalsContact CD1-CG 3.49Å; L292-N316 HydrophobicContact CD2-CB 3.59Å; L292-N316 HydrophobicContact CG-CB 4.27Å; L292-V318 HydrophobicContact CD2-CG2 3.45Å; L292-V318 VanDerWaalsContact CD2-CG2 3.45Å
293	K	94.8	Very high	93.6	Very high	174 Å²	174	47.9 Å²	47.9	76%	0.757	22%	0.22	S	C	*	.	H	α-helix	trans	-61.2	-36.4	175.5	-177	-174.3	175.5	-171.8	0	111.5	K289 Q290 E295	K289-K293 WeakPolarHBondContact O-CB 3.46Å; K289-K293 PolarHBondContact O-N 3.27Å; Q290-K293 WeakPolarHBondContact O-CB 3.25Å; Q290-K293 PolarHBondContact O-N 3.19Å; Q290-K293 VanDerWaalsContact O-N 3.08Å; K293-E295 PolarHBondContact O-N 3.41Å
294	D	94.2	Very high	93.7	Very high	32 Å²	32	45.4 Å²	45.4	17%	0.171	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	11.3	178.3	-61.5	-25.8	0	0	0	112.6	R248 Q290 V291 L292 V296 Y353	R248-D294 VanDerWaalsContact CD-O 3.28Å; R248-D294 WeakPolarHBondContact CD-O 3.28Å; R248-D294 PolarHBondContact NH1-O 2.81Å; Q290-D294 WeakPolarHBondContact CG-OD2 3.42Å; Q290-D294 PolarHBondContact NE2-OD2 3.37Å; Q290-D294 PolarHBondContact O-N 3.23Å; V291-D294 PolarHBondContact O-N 3.21Å; L292-D294 PolarHBondContact O-N 2.84Å; D294-V296 VanDerWaalsContact C-N 3.27Å; D294-V296 PolarHBondContact O-N 3.43Å; D294-Y353 HydrophobicContact CB-CE2 4.2Å; D294-Y353 PolarHBondContact OD2-OH 3.31Å
295	E	93.1	Very high	93.8	Very high	140 Å²	140	45.3 Å²	45.3	65%	0.654	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	28.4	174.5	-56	-173.4	148.8	0	0	114.9	V291 L292 K293 K297	V291-E295 PolarHBondContact O-N 3.35Å; L292-E295 PolarHBondContact O-N 3.02Å; L292-E295 VanDerWaalsContact O-N 3.09Å; K293-E295 PolarHBondContact O-N 3.41Å; E295-K297 PolarHBondContact O-N 3.49Å
296	V	94.1	Very high	93.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	21%	0.213	C	C	.	.			trans	-67.7	133	175.7	177.8	0	0	0	0	110.3	R248 V250 V291 D294 L298 Y353	R248-V296 HydrophobicContact CG-CG2 4.28Å; V250-V296 HydrophobicContact CB-CG1 4.45Å; V250-V296 HydrophobicContact CG1-CG1 4.03Å; V291-V296 HydrophobicContact CG1-CB 3.53Å; V291-V296 HydrophobicContact CG1-CG1 3.82Å; V291-V296 HydrophobicContact CG1-CG2 3.93Å; V291-V296 WeakPolarHBondContact O-CB 3.5Å; V291-V296 WeakPolarHBondContact O-CG2 3.27Å; V291-V296 PolarHBondContact O-N 2.99Å; V291-V296 VanDerWaalsContact O-N 3.11Å; D294-V296 VanDerWaalsContact C-N 3.27Å; D294-V296 PolarHBondContact O-N 3.43Å; V296-L298 WeakPolarHBondContact CG1-O 3.16Å; V296-Y353 HydrophobicContact CG2-CD1 3.75Å; V296-Y353 HydrophobicContact CG2-CE1 3.39Å
297	K	92.6	Very high	93.8	Very high	92 Å²	92	44.8 Å²	44.8	40%	0.4	22%	0.216	S	C	.	.			trans	-113.5	-15.7	176.6	-65.2	-59.3	-177	-172.3	0	114	L247 R248 E295 I319	L247-K297 HydrophobicContact CB-CB 4.22Å; L247-K297 HydrophobicContact CD1-CB 4.36Å; L247-K297 HydrophobicContact CD2-CB 3.95Å; L247-K297 HydrophobicContact CD2-CG 4.2Å; L247-K297 HydrophobicContact CG-CB 4.41Å; R248-K297 PolarHBondContact O-N 3.44Å; E295-K297 PolarHBondContact O-N 3.49Å; K297-I319 PolarHBondContact O-N 2.86Å
298	L	93.3	Very high	93.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.2	176.1	176.6	63.9	0	0	0	110.5	R248 M249 V250 V296 V300 I319 I321 V356 L369 L371	R248-L298 PolarHBondContact O-N 3.49Å; M249-L298 CarbonylContact C-O 3.58Å; M249-L298 WeakPolarHBondContact CA-O 3.42Å; M249-L298 HydrophobicContact CB-CB 3.75Å; M249-L298 HydrophobicContact CB-CD2 4.02Å; M249-L298 HydrophobicContact CB-CG 4.03Å; M249-L298 WeakPolarHBondContact CB-O 3.39Å; M249-L298 HydrophobicContact CE-CD2 4.24Å; M249-L298 HydrophobicContact SD-CD2 4.03Å; V250-L298 PolarHBondContact N-O 3.46Å; V296-L298 WeakPolarHBondContact CG1-O 3.16Å; L298-V300 HydrophobicContact CD1-CG2 3.91Å; L298-V300 HydrophobicContact CD2-CG2 4.22Å; L298-V300 HydrophobicContact CG-CG2 3.76Å; L298-I319 HydrophobicContact CD1-CB 3.98Å; L298-I319 HydrophobicContact CD1-CG2 3.75Å; L298-I321 HydrophobicContact CD1-CD1 4.01Å; L298-I321 HydrophobicContact CD1-CG1 4.36Å; L298-V356 HydrophobicContact CD2-CG1 3.81Å; L298-L369 HydrophobicContact CD1-CD2 4.09Å; L298-L371 HydrophobicContact CD2-CD2 3.99Å
299	F	94.9	Very high	93.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115	179.3	-169.7	-75.4	0	0	0	109.3	V250 F252 L256 V291 I305 L313 V318 I319 V320 I321	V250-F299 HydrophobicContact CG1-CB 4.37Å; V250-F299 HydrophobicContact CG1-CD2 3.37Å; V250-F299 HydrophobicContact CG1-CE2 3.77Å; V250-F299 HydrophobicContact CG1-CG 3.97Å; F252-F299 AromaticContact CD2-CE1 3.94Å; F252-F299 HydrophobicContact CD2-CE1 3.94Å; F252-F299 HydrophobicContact CD2-CE2 4.05Å; F252-F299 AromaticContact CD2-CZ 3.53Å; F252-F299 HydrophobicContact CD2-CZ 3.53Å; F252-F299 HydrophobicContact CE2-CD2 4.36Å; F252-F299 HydrophobicContact CE2-CE1 4.19Å; F252-F299 AromaticContact CE2-CE2 3.46Å; F252-F299 HydrophobicContact CE2-CE2 3.46Å; F252-F299 VanDerWaalsContact CE2-CE2 3.46Å; F252-F299 AromaticContact CE2-CZ 3.35Å; F252-F299 HydrophobicContact CE2-CZ 3.35Å; F252-F299 HydrophobicContact CZ-CE2 4.3Å; F252-F299 HydrophobicContact CZ-CZ 4.21Å; L256-F299 HydrophobicContact CD1-CE1 3.47Å; L256-F299 VanDerWaalsContact CD1-CE1 3.47Å; L256-F299 HydrophobicContact CD1-CZ 3.46Å; L256-F299 VanDerWaalsContact CD1-CZ 3.46Å; V291-F299 HydrophobicContact CG1-CD2 3.91Å; V291-F299 HydrophobicContact CG1-CE2 4.42Å; V291-F299 HydrophobicContact CG2-CD2 4.33Å; V291-F299 HydrophobicContact CG2-CE2 4.06Å; F299-I305 HydrophobicContact CD1-CD1 3.77Å; F299-I305 HydrophobicContact CE1-CD1 3.72Å; F299-I305 HydrophobicContact CE1-CG1 4.45Å; F299-L313 HydrophobicContact CB-CD1 4.28Å; F299-L313 HydrophobicContact CD1-CD1 4.08Å; F299-L313 HydrophobicContact CD2-CD1 3.78Å; F299-L313 HydrophobicContact CE1-CD1 4.38Å; F299-L313 HydrophobicContact CE2-CD1 4.07Å; F299-L313 HydrophobicContact CG-CD1 3.77Å; F299-L313 HydrophobicContact CZ-CD1 4.37Å; F299-V318 HydrophobicContact CB-CG1 3.75Å; F299-I319 PolarHBondContact N-O 3.31Å; F299-V320 HydrophobicContact CB-CG2 4.47Å; F299-V320 HydrophobicContact CD1-CG1 4.34Å; F299-V320 WeakPolarHBondContact O-CA 3.26Å; F299-I321 PolarHBondContact O-N 2.97Å
300	V	95.3	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.2	-175.4	-171	0	0	0	0	110.4	M249 V250 L251 F252 L298 I321 L324 L332	M249-V300 HydrophobicContact CE-CB 4.4Å; M249-V300 HydrophobicContact CE-CG2 3.85Å; V250-V300 PolarHBondContact O-N 2.7Å; L251-V300 CarbonylContact C-O 3.59Å; L251-V300 WeakPolarHBondContact CA-O 3.36Å; L251-V300 HydrophobicContact CD1-CB 3.84Å; L251-V300 HydrophobicContact CD1-CG1 3.72Å; F252-V300 PolarHBondContact N-O 3.44Å; L298-V300 HydrophobicContact CD1-CG2 3.91Å; L298-V300 HydrophobicContact CD2-CG2 4.22Å; L298-V300 HydrophobicContact CG-CG2 3.76Å; V300-I321 CarbonylContact C-O 3.58Å; V300-I321 WeakPolarHBondContact CA-O 3.41Å; V300-I321 HydrophobicContact CG1-CB 4.23Å; V300-I321 HydrophobicContact CG1-CG2 4.31Å; V300-I321 HydrophobicContact CG2-CB 4.33Å; V300-L324 HydrophobicContact CG1-CB 4.32Å; V300-L324 HydrophobicContact CG1-CD1 4.24Å; V300-L324 HydrophobicContact CG1-CD2 3.88Å; V300-L324 HydrophobicContact CG1-CG 4.36Å; V300-L332 HydrophobicContact CB-CD2 4.39Å; V300-L332 HydrophobicContact CG1-CD2 3.88Å; V300-L332 HydrophobicContact CG2-CD2 4.5Å
301	C	94.8	Very high	93.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.7	173.3	-172.7	0	0	0	0	110.9	F252 A254 L256 K303 I305 I321 E322 R323 L324	F252-C301 HydrophobicContact CB-CB 4.38Å; A254-C301 PolarHBondContact O-SG 3.49Å; A254-C301 VanDerWaalsContact O-SG 3.41Å; L256-C301 HydrophobicContact CD1-CB 4.38Å; C301-K303 PolarHBondContact O-N 2.87Å; C301-K303 PolarHBondContact SG-N 3.45Å; C301-K303 VanDerWaalsContact SG-N 3.35Å; C301-K303 PolarHBondContact SG-O 3.49Å; C301-I305 HydrophobicContact CB-CD1 3.64Å; C301-I305 HydrophobicContact CB-CG1 3.55Å; C301-I321 PolarHBondContact N-O 3.47Å; C301-E322 CarbonylContact O-C 3.51Å; C301-R323 PolarHBondContact O-N 2.91Å; C301-L324 PolarHBondContact O-N 3.44Å
302	Q	94.1	Very high	93.9	Very high	40 Å²	40	51 Å²	51	19%	0.187	25%	0.248	C	C	.	.	S	Bend	trans	-58.3	-40.2	171.3	-173.7	-171.9	-20.8	0	0	111.4	F252 R323 L324 G325 M329	F252-Q302 WeakPolarHBondContact O-CB 3.35Å; F252-Q302 PolarHBondContact O-N 3.34Å; Q302-R323 CarbonylContact O-C 3.53Å; Q302-R323 WeakPolarHBondContact O-CA 3.42Å; Q302-L324 PolarHBondContact O-N 3.14Å; Q302-G325 PolarHBondContact O-N 3.32Å; Q302-M329 HydrophobicContact CB-CE 4.1Å; Q302-M329 HydrophobicContact CB-CG 4.34Å; Q302-M329 HydrophobicContact CB-SD 3.6Å; Q302-M329 HydrophobicContact CG-CG 3.91Å; Q302-M329 HydrophobicContact CG-SD 3.86Å
303	K	92.2	Very high	93.9	Very high	78 Å²	78	49.1 Å²	49.1	34%	0.339	24%	0.238	S	C	.	.	S	Bend	trans	-109.3	-157.6	-174	-58.3	-178	-169.2	170.3	0	110.3	S253 E262 C301 R323	S253-K303 VanDerWaalsContact O-CE 3.28Å; S253-K303 WeakPolarHBondContact O-CE 3.38Å; E262-K303 IonicContact OE1-NZ 2.73Å; E262-K303 PolarHBondContact OE1-NZ 3.01Å; C301-K303 PolarHBondContact O-N 2.87Å; C301-K303 PolarHBondContact SG-N 3.45Å; C301-K303 VanDerWaalsContact SG-N 3.35Å; C301-K303 PolarHBondContact SG-O 3.49Å; K303-R323 PolarHBondContact O-N 2.93Å
304	V	91.9	Very high	93.7	Very high	52 Å²	52	43.9 Å²	43.9	32%	0.315	21%	0.214	S	C	.	.			trans	-80.6	149.1	-176.4	-178.2	0	0	0	0	110.9	L256 A257 E322 R323	L256-V304 CarbonylContact C-O 3.58Å; L256-V304 WeakPolarHBondContact CA-O 3.4Å; L256-V304 PolarHBondContact N-O 3.12Å; A257-V304 HydrophobicContact CB-CB 4.28Å; A257-V304 HydrophobicContact CB-CG1 4.26Å; A257-V304 PolarHBondContact N-O 2.86Å; V304-E322 WeakPolarHBondContact CA-OE2 3.34Å; V304-R323 HydrophobicContact CG2-CG 4.2Å
305	I	93.3	Very high	93.6	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.015	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-113.5	134.7	172.6	-55.5	175.5	0	0	0	109.8	L256 F299 C301 L309 Q310 V320 E322	L256-I305 HydrophobicContact CB-CB 4.49Å; L256-I305 HydrophobicContact CB-CG1 4.36Å; L256-I305 HydrophobicContact CB-CG2 4.44Å; L256-I305 HydrophobicContact CD1-CG1 4.26Å; F299-I305 HydrophobicContact CD1-CD1 3.77Å; F299-I305 HydrophobicContact CE1-CD1 3.72Å; F299-I305 HydrophobicContact CE1-CG1 4.45Å; C301-I305 HydrophobicContact CB-CD1 3.64Å; C301-I305 HydrophobicContact CB-CG1 3.55Å; I305-L309 HydrophobicContact CG2-CB 4.35Å; I305-L309 HydrophobicContact CG2-CD2 4.17Å; I305-L309 HydrophobicContact CG2-CG 4.24Å; I305-Q310 HydrophobicContact CG2-CB 4.22Å; I305-V320 HydrophobicContact CD1-CG1 3.4Å; I305-E322 HydrophobicContact CB-CB 4.36Å; I305-E322 HydrophobicContact CD1-CB 3.81Å; I305-E322 HydrophobicContact CG1-CB 3.76Å; I305-E322 PolarHBondContact N-OE2 3.14Å
306	H	94.4	Very high	93.5	Very high	46 Å²	46	43.5 Å²	43.5	21%	0.213	22%	0.222	C	C	.	.			trans	-59.5	134	178	-170.3	-98.1	0	0	0	111	L256 A257 L284 V308 L309 Q310	L256-H306 VanDerWaalsContact O-CB 3.24Å; L256-H306 WeakPolarHBondContact O-CB 3.35Å; L256-H306 PolarHBondContact O-N 3.22Å; A257-H306 PolarHBondContact O-CD2 2.99Å; A257-H306 VanDerWaalsContact O-CD2 3.31Å; L284-H306 HydrophobicContact CD1-CB 3.67Å; H306-V308 VanDerWaalsContact C-N 3.26Å; H306-V308 VanDerWaalsContact CE1-CG2 3.49Å; H306-V308 WeakPolarHBondContact CE1-CG2 3.34Å; H306-V308 WeakPolarHBondContact ND1-CB 3.43Å; H306-V308 PolarHBondContact ND1-N 2.88Å; H306-V308 PolarHBondContact O-N 3.1Å; H306-V308 VanDerWaalsContact O-N 3.14Å; H306-L309 PolarHBondContact O-N 3.38Å; H306-L309 VanDerWaalsContact O-N 3.12Å; H306-Q310 PolarHBondContact O-N 2.92Å
307	P	93.3	Very high	93.3	Very high	88 Å²	88	46 Å²	46	57%	0.571	25%	0.247	S	C	*	.	H	α-helix	trans	-56.3	-34.9	-174.2	-28.5	35.4	0	0	0	114.7	Q310 H311	P307-Q310 PolarHBondContact O-N 3.2Å; P307-H311 WeakPolarHBondContact O-CB 3.35Å; P307-H311 PolarHBondContact O-N 3.41Å
308	V	93.7	Very high	93.2	Very high	64 Å²	64	41.8 Å²	41.8	39%	0.388	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-46.8	178.8	175.5	0	0	0	0	111.4	V281 L285 H306 Q310 H311 Y312	V281-V308 HydrophobicContact CG1-CB 4.37Å; V281-V308 HydrophobicContact CG1-CG1 3.87Å; L285-V308 HydrophobicContact CD1-CG1 4.38Å; L285-V308 HydrophobicContact CD2-CG1 4.07Å; L285-V308 HydrophobicContact CG-CG1 4.35Å; H306-V308 VanDerWaalsContact C-N 3.26Å; H306-V308 VanDerWaalsContact CE1-CG2 3.49Å; H306-V308 WeakPolarHBondContact CE1-CG2 3.34Å; H306-V308 WeakPolarHBondContact ND1-CB 3.43Å; H306-V308 PolarHBondContact ND1-N 2.88Å; H306-V308 PolarHBondContact O-N 3.1Å; H306-V308 VanDerWaalsContact O-N 3.14Å; V308-Q310 VanDerWaalsContact C-N 3.34Å; V308-H311 PolarHBondContact O-N 3.25Å; V308-Y312 WeakPolarHBondContact O-CB 3.23Å; V308-Y312 PolarHBondContact O-N 2.92Å
309	L	94.9	Very high	93.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-42.2	176.7	175.4	56.4	0	0	0	110.7	L284 I305 H306 H311 Y312 L313	L284-L309 HydrophobicContact CB-CB 4.37Å; L284-L309 HydrophobicContact CB-CD2 4.26Å; L284-L309 HydrophobicContact CD2-CD2 4.09Å; L284-L309 WeakPolarHBondContact O-CD1 3.45Å; I305-L309 HydrophobicContact CG2-CB 4.35Å; I305-L309 HydrophobicContact CG2-CD2 4.17Å; I305-L309 HydrophobicContact CG2-CG 4.24Å; H306-L309 PolarHBondContact O-N 3.38Å; H306-L309 VanDerWaalsContact O-N 3.12Å; L309-H311 PolarHBondContact O-N 2.8Å; L309-Y312 PolarHBondContact O-N 2.91Å; L309-L313 HydrophobicContact CD1-CD1 3.83Å; L309-L313 HydrophobicContact CD1-CD2 4.49Å; L309-L313 HydrophobicContact CD1-CG 3.87Å; L309-L313 HydrophobicContact CG-CD1 3.91Å; L309-L313 HydrophobicContact CG-CG 4.39Å; L309-L313 WeakPolarHBondContact O-CB 3.49Å; L309-L313 WeakPolarHBondContact O-CG 3.31Å; L309-L313 PolarHBondContact O-N 2.89Å
310	Q	93.7	Very high	93	Very high	26 Å²	26	43 Å²	43	12%	0.121	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-47.2	178.6	-160	-172.4	51.1	0	0	111.6	I305 H306 P307 V308 R314 V320 E322	I305-Q310 HydrophobicContact CG2-CB 4.22Å; H306-Q310 PolarHBondContact O-N 2.92Å; P307-Q310 PolarHBondContact O-N 3.2Å; V308-Q310 VanDerWaalsContact C-N 3.34Å; Q310-R314 VanDerWaalsContact CG-CZ 3.47Å; Q310-R314 VanDerWaalsContact CG-NH1 3.29Å; Q310-R314 WeakPolarHBondContact O-CG 3.4Å; Q310-R314 PolarHBondContact O-N 3.34Å; Q310-R314 VanDerWaalsContact O-N 3.08Å; Q310-V320 HydrophobicContact CG-CB 4.35Å; Q310-V320 HydrophobicContact CG-CG1 3.92Å; Q310-E322 PolarHBondContact NE2-OE1 3.24Å
311	H	93.1	Very high	92.9	Very high	128 Å²	128	43.4 Å²	43.4	59%	0.593	24%	0.238	S	C	*	.	H	α-helix	trans	-62.9	-47	176.2	-176.8	69.1	0	0	0	111.5	P307 V308 L309 L313 R314 C315	P307-H311 WeakPolarHBondContact O-CB 3.35Å; P307-H311 PolarHBondContact O-N 3.41Å; V308-H311 PolarHBondContact O-N 3.25Å; L309-H311 PolarHBondContact O-N 2.8Å; H311-L313 PolarHBondContact O-N 3.44Å; H311-R314 PolarHBondContact O-N 2.9Å; H311-C315 VanDerWaalsContact CE1-SG 3.52Å; H311-C315 PolarHBondContact O-N 3.5Å; H311-C315 PolarHBondContact O-SG 3.47Å; H311-C315 VanDerWaalsContact O-SG 3.4Å
312	Y	95.3	Very high	92.8	Very high	66 Å²	66	46 Å²	46	26%	0.259	25%	0.251	S	S	.	.	H	α-helix	trans	-56	-48.3	177.9	178.2	-99.1	0	0	0	112.3	L285 K289 L292 V308 L309 C315 N316	L285-Y312 HydrophobicContact CD2-CD1 4.32Å; L285-Y312 HydrophobicContact CD2-CD2 4.07Å; L285-Y312 HydrophobicContact CD2-CG 3.83Å; K289-Y312 WeakPolarHBondContact CG-OH 3.46Å; L292-Y312 HydrophobicContact CD1-CD1 4.48Å; L292-Y312 HydrophobicContact CD1-CE1 3.54Å; V308-Y312 WeakPolarHBondContact O-CB 3.23Å; V308-Y312 PolarHBondContact O-N 2.92Å; L309-Y312 PolarHBondContact O-N 2.91Å; Y312-C315 PolarHBondContact O-N 3.37Å; Y312-N316 PolarHBondContact O-N 3.21Å; Y312-N316 PolarHBondContact O-ND2 2.85Å
313	L	94.1	Very high	92.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-44.3	178.6	-72.2	172	0	0	0	112	V291 F299 L309 H311 N316 G317 V318 V320	V291-L313 HydrophobicContact CG1-CD2 4.17Å; F299-L313 HydrophobicContact CB-CD1 4.28Å; F299-L313 HydrophobicContact CD1-CD1 4.08Å; F299-L313 HydrophobicContact CD2-CD1 3.78Å; F299-L313 HydrophobicContact CE1-CD1 4.38Å; F299-L313 HydrophobicContact CE2-CD1 4.07Å; F299-L313 HydrophobicContact CG-CD1 3.77Å; F299-L313 HydrophobicContact CZ-CD1 4.37Å; L309-L313 HydrophobicContact CD1-CD1 3.83Å; L309-L313 HydrophobicContact CD1-CD2 4.49Å; L309-L313 HydrophobicContact CD1-CG 3.87Å; L309-L313 HydrophobicContact CG-CD1 3.91Å; L309-L313 HydrophobicContact CG-CG 4.39Å; L309-L313 WeakPolarHBondContact O-CB 3.49Å; L309-L313 WeakPolarHBondContact O-CG 3.31Å; L309-L313 PolarHBondContact O-N 2.89Å; H311-L313 PolarHBondContact O-N 3.44Å; L313-N316 CarbonylContact O-C 3.54Å; L313-N316 PolarHBondContact O-N 3.37Å; L313-N316 VanDerWaalsContact O-N 3.17Å; L313-G317 PolarHBondContact O-N 3.22Å; L313-V318 HydrophobicContact CB-CB 4.11Å; L313-V318 HydrophobicContact CB-CG1 4.49Å; L313-V318 HydrophobicContact CD2-CB 4.44Å; L313-V318 HydrophobicContact CD2-CG1 4.48Å; L313-V318 HydrophobicContact CD2-CG2 4.3Å; L313-V318 WeakPolarHBondContact O-CB 3.46Å; L313-V318 PolarHBondContact O-N 3.02Å; L313-V320 HydrophobicContact CB-CG2 3.61Å; L313-V320 HydrophobicContact CD1-CG2 4.04Å; L313-V320 HydrophobicContact CG-CG2 4.5Å
314	R	91.8	Very high	92.7	Very high	65 Å²	65	49.6 Å²	49.6	25%	0.245	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-42.8	178.5	-75	-174.3	-175.1	122.1	6.7	112.7	E236 Q310 H311 N316 G317 V320	E236-R314 IonicContact OE1-CZ 3.6Å; E236-R314 IonicContact OE1-NE 3.6Å; E236-R314 PolarHBondContact OE1-NE 3.12Å; E236-R314 IonicContact OE1-NH1 3.86Å; Q310-R314 VanDerWaalsContact CG-CZ 3.47Å; Q310-R314 VanDerWaalsContact CG-NH1 3.29Å; Q310-R314 WeakPolarHBondContact O-CG 3.4Å; Q310-R314 PolarHBondContact O-N 3.34Å; Q310-R314 VanDerWaalsContact O-N 3.08Å; H311-R314 PolarHBondContact O-N 2.9Å; R314-N316 PolarHBondContact O-N 3.13Å; R314-N316 VanDerWaalsContact O-N 3.17Å; R314-G317 PolarHBondContact O-N 3.27Å; R314-V320 HydrophobicContact CG-CG2 4.19Å
315	C	91.7	Very high	92.6	Very high	88 Å²	88	48.4 Å²	48.4	60%	0.595	26%	0.26	S	S	*	.	H	α-helix	trans	-59.8	-25.6	176.1	-74.9	0	0	0	0	112.9	H311 Y312	H311-C315 VanDerWaalsContact CE1-SG 3.52Å; H311-C315 PolarHBondContact O-N 3.5Å; H311-C315 PolarHBondContact O-SG 3.47Å; H311-C315 VanDerWaalsContact O-SG 3.4Å; Y312-C315 PolarHBondContact O-N 3.37Å
316	N	92	Very high	92.5	Very high	75 Å²	75	54.7 Å²	54.7	40%	0.401	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	12.8	176.2	-70	-79.7	0	0	0	113.3	L292 Y312 L313 R314	L292-N316 HydrophobicContact CD1-CB 3.62Å; L292-N316 VanDerWaalsContact CD1-CG 3.49Å; L292-N316 HydrophobicContact CD2-CB 3.59Å; L292-N316 HydrophobicContact CG-CB 4.27Å; Y312-N316 PolarHBondContact O-N 3.21Å; Y312-N316 PolarHBondContact O-ND2 2.85Å; L313-N316 CarbonylContact O-C 3.54Å; L313-N316 PolarHBondContact O-N 3.37Å; L313-N316 VanDerWaalsContact O-N 3.17Å; R314-N316 PolarHBondContact O-N 3.13Å; R314-N316 VanDerWaalsContact O-N 3.17Å
317	G	88.4	Confident	92.3	Very high	53 Å²	53	55.9 Å²	55.9	55%	0.546	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	24.3	174.1	0	0	0	0	0	114.9	L313 R314	L313-G317 PolarHBondContact O-N 3.22Å; R314-G317 PolarHBondContact O-N 3.27Å
318	V	91.3	Very high	92.3	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.024	29%	0.286	C	S	.	.			trans	-90.6	132.9	172.9	-178.6	0	0	0	0	109.8	L292 F299 L313 V320	L292-V318 HydrophobicContact CD2-CG2 3.45Å; L292-V318 VanDerWaalsContact CD2-CG2 3.45Å; F299-V318 HydrophobicContact CB-CG1 3.75Å; L313-V318 HydrophobicContact CB-CB 4.11Å; L313-V318 HydrophobicContact CB-CG1 4.49Å; L313-V318 HydrophobicContact CD2-CB 4.44Å; L313-V318 HydrophobicContact CD2-CG1 4.48Å; L313-V318 HydrophobicContact CD2-CG2 4.3Å; L313-V318 WeakPolarHBondContact O-CB 3.46Å; L313-V318 PolarHBondContact O-N 3.02Å; V318-V320 HydrophobicContact CG1-CG2 4.49Å; V318-V320 PolarHBondContact O-N 3.4Å
319	I	91.1	Very high	92.3	Very high	20 Å²	20	50.8 Å²	50.8	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.7	173.3	-61	169.9	0	0	0	108.2	I238 L240 K297 L298 F299 I321 L369	I238-I319 HydrophobicContact CD1-CD1 4.44Å; I238-I319 HydrophobicContact CD1-CG1 4.23Å; I238-I319 HydrophobicContact CD1-CG2 3.61Å; I238-I319 HydrophobicContact CG2-CD1 4.21Å; I238-I319 HydrophobicContact CG2-CG1 4.25Å; L240-I319 HydrophobicContact CD1-CD1 3.88Å; L240-I319 HydrophobicContact CD2-CD1 4.46Å; L240-I319 HydrophobicContact CG-CD1 4.31Å; K297-I319 PolarHBondContact O-N 2.86Å; L298-I319 HydrophobicContact CD1-CB 3.98Å; L298-I319 HydrophobicContact CD1-CG2 3.75Å; F299-I319 PolarHBondContact N-O 3.31Å; I319-I321 HydrophobicContact CG2-CG1 4.42Å; I319-L369 HydrophobicContact CG2-CD2 4.24Å
320	V	92.6	Very high	92.1	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.7	-178	-173.3	0	0	0	0	110.7	F299 I305 Q310 L313 R314 V318	F299-V320 HydrophobicContact CB-CG2 4.47Å; F299-V320 HydrophobicContact CD1-CG1 4.34Å; F299-V320 WeakPolarHBondContact O-CA 3.26Å; I305-V320 HydrophobicContact CD1-CG1 3.4Å; Q310-V320 HydrophobicContact CG-CB 4.35Å; Q310-V320 HydrophobicContact CG-CG1 3.92Å; L313-V320 HydrophobicContact CB-CG2 3.61Å; L313-V320 HydrophobicContact CD1-CG2 4.04Å; L313-V320 HydrophobicContact CG-CG2 4.5Å; R314-V320 HydrophobicContact CG-CG2 4.19Å; V318-V320 HydrophobicContact CG1-CG2 4.49Å; V318-V320 PolarHBondContact O-N 3.4Å
321	I	93	Very high	92	Very high	7 Å²	7	53 Å²	53	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.2	173.9	-57.7	178.9	0	0	0	108.1	L232 L298 F299 V300 C301 I319 L324 L369	L232-I321 HydrophobicContact CB-CD1 4.16Å; L232-I321 HydrophobicContact CD1-CD1 3.66Å; L298-I321 HydrophobicContact CD1-CD1 4.01Å; L298-I321 HydrophobicContact CD1-CG1 4.36Å; F299-I321 PolarHBondContact O-N 2.97Å; V300-I321 CarbonylContact C-O 3.58Å; V300-I321 WeakPolarHBondContact CA-O 3.41Å; V300-I321 HydrophobicContact CG1-CB 4.23Å; V300-I321 HydrophobicContact CG1-CG2 4.31Å; V300-I321 HydrophobicContact CG2-CB 4.33Å; C301-I321 PolarHBondContact N-O 3.47Å; I319-I321 HydrophobicContact CG2-CG1 4.42Å; I321-L324 HydrophobicContact CG2-CD1 4.24Å; I321-L369 HydrophobicContact CD1-CD2 3.83Å
322	E	92.3	Very high	92	Very high	56 Å²	56	47 Å²	47	26%	0.262	25%	0.253	S	S	.	.			trans	-123	167.9	174.7	67.5	173.9	141.9	0	0	110.6	C301 V304 I305 Q310 L324	C301-E322 CarbonylContact O-C 3.51Å; V304-E322 WeakPolarHBondContact CA-OE2 3.34Å; I305-E322 HydrophobicContact CB-CB 4.36Å; I305-E322 HydrophobicContact CD1-CB 3.81Å; I305-E322 HydrophobicContact CG1-CB 3.76Å; I305-E322 PolarHBondContact N-OE2 3.14Å; Q310-E322 PolarHBondContact NE2-OE1 3.24Å; E322-L324 PolarHBondContact O-N 2.95Å
323	R	92.5	Very high	91.9	Very high	177 Å²	177	45.4 Å²	45.4	67%	0.668	25%	0.249	S	C	*	.			trans	54.7	36.7	178.7	-55.2	178.2	-173.8	-154.5	-1.8	112.6	C301 Q302 K303 V304 G325	C301-R323 PolarHBondContact O-N 2.91Å; Q302-R323 CarbonylContact O-C 3.53Å; Q302-R323 WeakPolarHBondContact O-CA 3.42Å; K303-R323 PolarHBondContact O-N 2.93Å; V304-R323 HydrophobicContact CG2-CG 4.2Å; R323-G325 PolarHBondContact O-N 3.14Å; R323-G325 VanDerWaalsContact O-N 3.11Å
324	L	91.6	Very high	91.7	Very high	15 Å²	15	48.7 Å²	48.7	8%	0.079	26%	0.264	C	S	.	.			trans	-55.6	-31.5	178.6	-171.6	76.1	0	0	0	111.8	L232 L251 V300 C301 Q302 I321 E322 L328 M329 L332	L232-L324 HydrophobicContact CD1-CD1 3.97Å; L232-L324 HydrophobicContact CD2-CD1 3.71Å; L232-L324 HydrophobicContact CG-CD1 4.43Å; L251-L324 HydrophobicContact CD1-CD2 4.43Å; V300-L324 HydrophobicContact CG1-CB 4.32Å; V300-L324 HydrophobicContact CG1-CD1 4.24Å; V300-L324 HydrophobicContact CG1-CD2 3.88Å; V300-L324 HydrophobicContact CG1-CG 4.36Å; C301-L324 PolarHBondContact O-N 3.44Å; Q302-L324 PolarHBondContact O-N 3.14Å; I321-L324 HydrophobicContact CG2-CD1 4.24Å; E322-L324 PolarHBondContact O-N 2.95Å; L324-L328 HydrophobicContact CD1-CB 4.17Å; L324-L328 HydrophobicContact CD1-CD1 3.91Å; L324-L328 HydrophobicContact CD2-CB 4.04Å; L324-L328 HydrophobicContact CG-CB 3.78Å; L324-L328 HydrophobicContact CG-CD1 4.21Å; L324-M329 HydrophobicContact CD2-SD 3.91Å; L324-L332 HydrophobicContact CD2-CD2 3.56Å
325	G	90.1	Very high	91.6	Very high	28 Å²	28	46 Å²	46	29%	0.289	26%	0.255	S	S	.	.			trans	78.7	154.1	-177.2	0	0	0	0	0	112.6	Q302 R323 S327 L328	Q302-G325 PolarHBondContact O-N 3.32Å; R323-G325 PolarHBondContact O-N 3.14Å; R323-G325 VanDerWaalsContact O-N 3.11Å; G325-S327 VanDerWaalsContact C-N 3.27Å; G325-S327 PolarHBondContact O-N 3.04Å; G325-L328 PolarHBondContact O-N 3.44Å
326	I	90.8	Very high	91.6	Very high	134 Å²	134	42.3 Å²	42.3	69%	0.687	23%	0.23	S	C	*	.	H	α-helix	trans	-66.5	-27.2	-171.4	-164.8	162.4	0	0	0	113.6	L328 M329	I326-L328 VanDerWaalsContact C-N 3.27Å; I326-L328 PolarHBondContact O-N 3.24Å; I326-M329 PolarHBondContact O-N 2.82Å
327	S	90.5	Very high	91.5	Very high	71 Å²	71	41 Å²	41	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-66.5	-27.9	-176.5	53.5	0	0	0	0	113.5	R210 G325 P331	R210-S327 PolarHBondContact NH1-O 3.1Å; G325-S327 VanDerWaalsContact C-N 3.27Å; G325-S327 PolarHBondContact O-N 3.04Å; S327-P331 WeakPolarHBondContact O-CD 3.36Å
328	L	93.3	Very high	91.8	Very high	32 Å²	32	38.5 Å²	38.5	17%	0.168	21%	0.208	C	C	.	.	H	α-helix	trans	-96.5	-11.1	-177.6	-67.3	-178.2	0	0	0	113.5	V212 L232 L324 G325 I326 P331 L332	V212-L328 HydrophobicContact CB-CD2 4.42Å; V212-L328 HydrophobicContact CG1-CD2 3.5Å; V212-L328 HydrophobicContact CG2-CD2 4.01Å; L232-L328 HydrophobicContact CD2-CD1 3.92Å; L324-L328 HydrophobicContact CD1-CB 4.17Å; L324-L328 HydrophobicContact CD1-CD1 3.91Å; L324-L328 HydrophobicContact CD2-CB 4.04Å; L324-L328 HydrophobicContact CG-CB 3.78Å; L324-L328 HydrophobicContact CG-CD1 4.21Å; G325-L328 PolarHBondContact O-N 3.44Å; I326-L328 VanDerWaalsContact C-N 3.27Å; I326-L328 PolarHBondContact O-N 3.24Å; L328-P331 WeakPolarHBondContact O-CD 3.4Å; L328-L332 WeakPolarHBondContact O-CB 3.42Å; L328-L332 PolarHBondContact O-N 3.09Å
329	M	93.4	Very high	91.9	Very high	14 Å²	14	43.4 Å²	43.4	7%	0.069	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-56.6	178.9	-69.3	-64	-71.6	0	0	111.7	L251 Q302 L324 I326 L332 I333 P340	L251-M329 HydrophobicContact CD1-CE 3.95Å; L251-M329 HydrophobicContact CD1-SD 3.85Å; L251-M329 HydrophobicContact CD2-CE 3.78Å; L251-M329 HydrophobicContact CD2-SD 4.25Å; L251-M329 HydrophobicContact CG-CE 3.82Å; L251-M329 HydrophobicContact CG-SD 4.35Å; Q302-M329 HydrophobicContact CB-CE 4.1Å; Q302-M329 HydrophobicContact CB-CG 4.34Å; Q302-M329 HydrophobicContact CB-SD 3.6Å; Q302-M329 HydrophobicContact CG-CG 3.91Å; Q302-M329 HydrophobicContact CG-SD 3.86Å; L324-M329 HydrophobicContact CD2-SD 3.91Å; I326-M329 PolarHBondContact O-N 2.82Å; M329-L332 PolarHBondContact O-N 3.38Å; M329-L332 VanDerWaalsContact O-N 3.15Å; M329-I333 WeakPolarHBondContact O-CD1 3.49Å; M329-I333 VanDerWaalsContact O-CG1 3.22Å; M329-I333 WeakPolarHBondContact O-CG1 3.38Å; M329-I333 PolarHBondContact O-N 2.74Å; M329-P340 HydrophobicContact CE-CB 4.12Å; M329-P340 HydrophobicContact CE-CG 4.19Å
330	E	92	Very high	92.1	Very high	73 Å²	73	44.6 Å²	44.6	34%	0.341	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-47.6	-177.6	-177.5	68.5	-169.8	0	0	112.9	R207 L332 I333 Q334	R207-E330 IonicContact NH2-OE1 2.74Å; E330-L332 VanDerWaalsContact C-N 3.27Å; E330-L332 PolarHBondContact O-N 2.89Å; E330-I333 PolarHBondContact O-N 3.22Å; E330-Q334 WeakPolarHBondContact O-CG 3.31Å; E330-Q334 PolarHBondContact O-N 3.41Å; E330-Q334 PolarHBondContact OE1-NE2 3.05Å
331	P	92.2	Very high	92.1	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-55.8	-40.7	172.3	-25.2	31.8	0	0	0	113.6	V212 L230 S327 L328 Q334 L335 I379	V212-P331 HydrophobicContact CG2-CB 4.07Å; V212-P331 HydrophobicContact CG2-CG 3.9Å; L230-P331 HydrophobicContact CD1-CB 3.82Å; L230-P331 HydrophobicContact CD2-CB 3.83Å; L230-P331 HydrophobicContact CG-CB 4.38Å; S327-P331 WeakPolarHBondContact O-CD 3.36Å; L328-P331 WeakPolarHBondContact O-CD 3.4Å; P331-Q334 PolarHBondContact O-N 3.32Å; P331-L335 VanDerWaalsContact O-CB 3.31Å; P331-L335 WeakPolarHBondContact O-CB 3.36Å; P331-L335 PolarHBondContact O-N 3.35Å; P331-I379 HydrophobicContact CB-CD1 4.33Å; P331-I379 HydrophobicContact CB-CG2 4.22Å
332	L	92.9	Very high	91.9	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-67.9	-46.3	-178.2	-175.5	63.1	0	0	0	110.9	L230 M249 L251 V300 L324 L328 M329 E330 Q334 L335 T336 L371	L230-L332 HydrophobicContact CD1-CB 4.12Å; L230-L332 HydrophobicContact CD1-CD1 4.19Å; M249-L332 HydrophobicContact CE-CD1 4.2Å; M249-L332 HydrophobicContact CE-CD2 4.06Å; M249-L332 HydrophobicContact CE-CG 4.17Å; L251-L332 HydrophobicContact CD1-CD2 3.84Å; L251-L332 HydrophobicContact CD2-CD2 4.14Å; L251-L332 HydrophobicContact CD2-CG 4.48Å; V300-L332 HydrophobicContact CB-CD2 4.39Å; V300-L332 HydrophobicContact CG1-CD2 3.88Å; V300-L332 HydrophobicContact CG2-CD2 4.5Å; L324-L332 HydrophobicContact CD2-CD2 3.56Å; L328-L332 WeakPolarHBondContact O-CB 3.42Å; L328-L332 PolarHBondContact O-N 3.09Å; M329-L332 PolarHBondContact O-N 3.38Å; M329-L332 VanDerWaalsContact O-N 3.15Å; E330-L332 VanDerWaalsContact C-N 3.27Å; E330-L332 PolarHBondContact O-N 2.89Å; L332-Q334 VanDerWaalsContact C-N 3.31Å; L332-Q334 PolarHBondContact O-N 3.43Å; L332-L335 PolarHBondContact O-N 2.95Å; L332-L335 VanDerWaalsContact O-N 3.17Å; L332-T336 HydrophobicContact CD1-CG2 3.76Å; L332-T336 HydrophobicContact CG-CG2 4.43Å; L332-T336 VanDerWaalsContact O-CG2 3.31Å; L332-T336 WeakPolarHBondContact O-CG2 3.43Å; L332-T336 PolarHBondContact O-N 2.89Å; L332-T336 PolarHBondContact O-OG1 3.14Å; L332-L371 HydrophobicContact CD1-CD1 3.35Å
333	I	92.4	Very high	91.5	Very high	32 Å²	32	47.3 Å²	47.3	16%	0.164	27%	0.267	C	S	.	.	H	α-helix	trans	-55.9	-47.2	174.6	-66.7	160.4	0	0	0	110.6	L251 M329 E330 L335 T336 G337 A338 P340	L251-I333 HydrophobicContact CD2-CD1 4.42Å; L251-I333 HydrophobicContact CD2-CG1 3.71Å; M329-I333 WeakPolarHBondContact O-CD1 3.49Å; M329-I333 VanDerWaalsContact O-CG1 3.22Å; M329-I333 WeakPolarHBondContact O-CG1 3.38Å; M329-I333 PolarHBondContact O-N 2.74Å; E330-I333 PolarHBondContact O-N 3.22Å; I333-L335 VanDerWaalsContact C-N 3.32Å; I333-L335 PolarHBondContact O-N 3.49Å; I333-T336 PolarHBondContact O-N 3.23Å; I333-G337 WeakPolarHBondContact O-CA 3.32Å; I333-G337 PolarHBondContact O-N 3.42Å; I333-A338 WeakPolarHBondContact CG2-O 3.39Å; I333-P340 HydrophobicContact CD1-CG 3.33Å; I333-P340 HydrophobicContact CG1-CG 3.82Å
334	Q	89.5	Confident	91	Very high	69 Å²	69	41.1 Å²	41.1	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-33.6	179.7	-71.1	-177.1	11.6	0	0	113	E330 P331 L332 I379	E330-Q334 WeakPolarHBondContact O-CG 3.31Å; E330-Q334 PolarHBondContact O-N 3.41Å; E330-Q334 PolarHBondContact OE1-NE2 3.05Å; P331-Q334 PolarHBondContact O-N 3.32Å; L332-Q334 VanDerWaalsContact C-N 3.31Å; L332-Q334 PolarHBondContact O-N 3.43Å; Q334-I379 HydrophobicContact CB-CD1 4.37Å; Q334-I379 HydrophobicContact CB-CG1 4.24Å
335	L	90.9	Very high	90.3	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-74.6	-36.5	179.7	-176	69.9	0	0	0	112.4	L230 P331 L332 I333 L371 P373 T377	L230-L335 HydrophobicContact CB-CD2 3.85Å; L230-L335 HydrophobicContact CD1-CB 4.27Å; L230-L335 HydrophobicContact CD1-CD2 3.83Å; L230-L335 HydrophobicContact CG-CD2 3.83Å; P331-L335 VanDerWaalsContact O-CB 3.31Å; P331-L335 WeakPolarHBondContact O-CB 3.36Å; P331-L335 PolarHBondContact O-N 3.35Å; L332-L335 PolarHBondContact O-N 2.95Å; L332-L335 VanDerWaalsContact O-N 3.17Å; I333-L335 VanDerWaalsContact C-N 3.32Å; I333-L335 PolarHBondContact O-N 3.49Å; L335-L371 HydrophobicContact CD2-CB 3.58Å; L335-L371 HydrophobicContact CD2-CD1 4.43Å; L335-P373 HydrophobicContact CD1-CB 3.81Å; L335-T377 HydrophobicContact CD1-CG2 4.17Å
336	T	91.3	Very high	89.8	Confident	11 Å²	11	48.9 Å²	48.9	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-113.2	-14.5	-165.3	72.2	0	0	0	0	113.8	M249 L332 I333 A338 G354 E355 V356	M249-T336 HydrophobicContact CE-CG2 4.47Å; M249-T336 WeakPolarHBondContact SD-CB 3.44Å; M249-T336 HydrophobicContact SD-CG2 3.39Å; M249-T336 WeakPolarHBondContact SD-CG2 3.41Å; M249-T336 PolarHBondContact SD-OG1 3.18Å; L332-T336 HydrophobicContact CD1-CG2 3.76Å; L332-T336 HydrophobicContact CG-CG2 4.43Å; L332-T336 VanDerWaalsContact O-CG2 3.31Å; L332-T336 WeakPolarHBondContact O-CG2 3.43Å; L332-T336 PolarHBondContact O-N 2.89Å; L332-T336 PolarHBondContact O-OG1 3.14Å; I333-T336 PolarHBondContact O-N 3.23Å; T336-A338 PolarHBondContact O-N 2.89Å; T336-A338 WeakPolarHBondContact OG1-CB 3.43Å; T336-A338 PolarHBondContact OG1-N 2.93Å; T336-G354 VanDerWaalsContact O-CA 3.25Å; T336-G354 WeakPolarHBondContact O-CA 3.41Å; T336-E355 PolarHBondContact O-N 3.2Å; T336-E355 VanDerWaalsContact O-N 3.12Å; T336-V356 HydrophobicContact CG2-CB 3.9Å; T336-V356 HydrophobicContact CG2-CG1 4.48Å; T336-V356 HydrophobicContact CG2-CG2 3.98Å
337	G	90.1	Very high	89.5	Confident	47 Å²	47	47.5 Å²	47.5	49%	0.485	28%	0.279	S	S	.	.			trans	75.1	-2.3	-176.1	0	0	0	0	0	114.8	I333	I333-G337 WeakPolarHBondContact O-CA 3.32Å; I333-G337 PolarHBondContact O-N 3.42Å
338	A	93	Very high	89.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-62.4	139.4	-177.6	0	0	0	0	0	112	L251 I333 T336 A352	L251-A338 HydrophobicContact CB-CB 4.28Å; I333-A338 WeakPolarHBondContact CG2-O 3.39Å; T336-A338 PolarHBondContact O-N 2.89Å; T336-A338 WeakPolarHBondContact OG1-CB 3.43Å; T336-A338 PolarHBondContact OG1-N 2.93Å; A338-A352 WeakPolarHBondContact CA-O 3.04Å
339	Q	94.8	Very high	89.4	Confident	108 Å²	108	45.3 Å²	45.3	51%	0.505	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-93.8	125.5	170	-57.4	-62.7	-50	0	0	109.6	V341 A352	Q339-V341 PolarHBondContact O-N 3.03Å; Q339-A352 HydrophobicContact CB-CB 4.34Å; Q339-A352 PolarHBondContact N-O 3.48Å; Q339-A352 VanDerWaalsContact N-O 3.1Å
340	P	94.2	Very high	89.3	Confident	44 Å²	44	52.4 Å²	52.4	29%	0.286	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-60.6	127.5	179.4	-23.1	33.1	0	0	0	112.2	L251 M329 I333	L251-P340 HydrophobicContact CD2-CG 4.15Å; L251-P340 CarbonylContact O-C 3.54Å; L251-P340 WeakPolarHBondContact O-CA 3.3Å; M329-P340 HydrophobicContact CE-CB 4.12Å; M329-P340 HydrophobicContact CE-CG 4.19Å; I333-P340 HydrophobicContact CD1-CG 3.33Å; I333-P340 HydrophobicContact CG1-CG 3.82Å
341	V	93.5	Very high	89.2	Confident	10 Å²	10	55.5 Å²	55.5	6%	0.061	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-83.5	117.1	173.9	-176.1	0	0	0	0	108.9	V250 L251 F252 S253 A254 Q339 T343 V348 A352	V250-V341 HydrophobicContact CG2-CG2 4.24Å; L251-V341 PolarHBondContact O-N 3.29Å; F252-V341 WeakPolarHBondContact CA-O 3.21Å; F252-V341 HydrophobicContact CD1-CB 3.65Å; F252-V341 HydrophobicContact CD1-CG1 3.8Å; F252-V341 HydrophobicContact CE1-CB 3.64Å; F252-V341 HydrophobicContact CE1-CG1 3.45Å; F252-V341 VanDerWaalsContact CE1-CG1 3.45Å; F252-V341 HydrophobicContact CE1-CG2 4.34Å; F252-V341 HydrophobicContact CG-CB 4.27Å; F252-V341 HydrophobicContact CZ-CB 4.25Å; F252-V341 HydrophobicContact CZ-CG1 4.26Å; F252-V341 HydrophobicContact CZ-CG2 4.49Å; S253-V341 PolarHBondContact N-O 3.38Å; S253-V341 PolarHBondContact OG-O 2.88Å; A254-V341 PolarHBondContact N-O 3.34Å; Q339-V341 PolarHBondContact O-N 3.03Å; V341-T343 VanDerWaalsContact CG1-O 3.28Å; V341-T343 WeakPolarHBondContact CG1-O 3.47Å; V341-V348 HydrophobicContact CG2-CG1 4.01Å; V341-A352 HydrophobicContact CG2-CB 3.86Å
342	A	89.6	Confident	89.3	Confident	68 Å²	68	55.7 Å²	55.7	56%	0.562	31%	0.307	S	S	*	.			trans	-99.7	3.9	-174.1	0	0	0	0	0	114.1	S253	S253-A342 WeakPolarHBondContact OG-CA 3.5Å
343	T	83.5	Confident	89.4	Confident	49 Å²	49	56.8 Å²	56.8	30%	0.301	31%	0.311	S	S	.	.			trans	-149.5	151.6	176.8	-174.6	0	0	0	0	111.8	V341 H345 T346	V341-T343 VanDerWaalsContact CG1-O 3.28Å; V341-T343 WeakPolarHBondContact CG1-O 3.47Å; T343-H345 PolarHBondContact OG1-CD2 2.89Å; T343-H345 PolarHBondContact OG1-N 2.89Å; T343-T346 HydrophobicContact CG2-CG2 4.26Å; T343-T346 VanDerWaalsContact CG2-OG1 3.27Å; T343-T346 WeakPolarHBondContact CG2-OG1 3.41Å
344	L	80.9	Confident	89.4	Confident	47 Å²	47	55.4 Å²	55.4	25%	0.246	31%	0.305	C	S	.	.	S	Bend	trans	-92.2	-15.3	174.5	-79.1	168.2	0	0	0	113.6	S255 L256 L284 L287 T346	S255-L344 WeakPolarHBondContact O-CD1 3.3Å; L256-L344 HydrophobicContact CD2-CD1 3.64Å; L256-L344 HydrophobicContact CD2-CD2 3.19Å; L256-L344 HydrophobicContact CD2-CG 3.51Å; L284-L344 HydrophobicContact CD2-CD1 4.01Å; L284-L344 HydrophobicContact CD2-CD2 4.02Å; L287-L344 HydrophobicContact CD2-CD2 3.44Å; L287-L344 VanDerWaalsContact CD2-CD2 3.44Å; L344-T346 VanDerWaalsContact C-N 3.3Å; L344-T346 PolarHBondContact O-N 3.32Å
345	H	78.4	Confident	89.5	Confident	123 Å²	123	57 Å²	57	57%	0.569	31%	0.312	S	S	*	.	S	Bend	trans	-84.6	-5.6	-169.4	-56.9	-55.7	0	0	0	113.5	T343	T343-H345 PolarHBondContact OG1-CD2 2.89Å; T343-H345 PolarHBondContact OG1-N 2.89Å
346	T	78.3	Confident	89.6	Confident	83 Å²	83	56.6 Å²	56.6	51%	0.509	31%	0.31	S	S	.	.	S	Bend	trans	-121.3	147.9	177.1	59.9	0	0	0	0	110.1	T343 L344	T343-T346 HydrophobicContact CG2-CG2 4.26Å; T343-T346 VanDerWaalsContact CG2-OG1 3.27Å; T343-T346 WeakPolarHBondContact CG2-OG1 3.41Å; L344-T346 VanDerWaalsContact C-N 3.3Å; L344-T346 PolarHBondContact O-N 3.32Å
347	T	85.4	Confident	89.6	Confident	105 Å²	105	59.1 Å²	59.1	64%	0.644	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-56	140.5	170.2	52	0	0	0	0	110.2	P349	T347-P349 WeakPolarHBondContact O-CD 3.27Å
348	V	90.1	Very high	89.6	Confident	6 Å²	6	57.5 Å²	57.5	4%	0.036	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-62.2	122.7	175.7	-179.9	0	0	0	0	108.8	V250 F252 L287 Q290 V341 A352 Y353	V250-V348 HydrophobicContact CG2-CG1 4.01Å; F252-V348 HydrophobicContact CE1-CG2 4.46Å; F252-V348 HydrophobicContact CZ-CG2 3.84Å; L287-V348 HydrophobicContact CD1-CG2 3.65Å; Q290-V348 PolarHBondContact NE2-O 3.22Å; Q290-V348 VanDerWaalsContact NE2-O 3.16Å; V341-V348 HydrophobicContact CG2-CG1 4.01Å; V348-A352 HydrophobicContact CG1-CB 4.06Å; V348-Y353 WeakPolarHBondContact CB-OH 3.47Å; V348-Y353 HydrophobicContact CG1-CE1 3.79Å; V348-Y353 HydrophobicContact CG1-CE2 4.04Å; V348-Y353 WeakPolarHBondContact CG1-OH 3.15Å
349	P	91.2	Very high	89.4	Confident	52 Å²	52	59.2 Å²	59.2	34%	0.338	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-75	151.5	179.7	31.6	-34.2	0	0	0	110.4	T347 E351 A352	T347-P349 WeakPolarHBondContact O-CD 3.27Å; P349-E351 VanDerWaalsContact C-N 3.27Å; P349-E351 HydrophobicContact CB-CG 4.27Å; P349-E351 PolarHBondContact O-N 2.93Å; P349-A352 HydrophobicContact CG-CB 3.83Å; P349-A352 WeakPolarHBondContact O-CB 3.36Å; P349-A352 PolarHBondContact O-N 3.5Å
350	W	90.5	Very high	89	Confident	162 Å²	162	56.3 Å²	56.3	61%	0.614	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.1	-37.2	-174.2	-177.6	-101.4	0	0	0	112.6	A352 Y353	W350-A352 PolarHBondContact O-N 2.95Å; W350-Y353 HydrophobicContact CE3-CD2 4.1Å; W350-Y353 HydrophobicContact CE3-CE2 4.24Å; W350-Y353 WeakPolarHBondContact O-CD2 3.37Å; W350-Y353 PolarHBondContact O-N 2.96Å
351	E	91.4	Very high	88.6	Confident	139 Å²	139	58.9 Å²	58.9	65%	0.65	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-67	-12.8	176.4	60.7	-90.6	-157	0	0	114.6	P349	P349-E351 VanDerWaalsContact C-N 3.27Å; P349-E351 HydrophobicContact CB-CG 4.27Å; P349-E351 PolarHBondContact O-N 2.93Å
352	A	93.3	Very high	88.1	Confident	4 Å²	4	63.2 Å²	63.2	3%	0.033	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-79.4	-21.4	176.1	0	0	0	0	0	113.3	A338 Q339 V341 V348 P349 W350	A338-A352 WeakPolarHBondContact CA-O 3.04Å; Q339-A352 HydrophobicContact CB-CB 4.34Å; Q339-A352 PolarHBondContact N-O 3.48Å; Q339-A352 VanDerWaalsContact N-O 3.1Å; V341-A352 HydrophobicContact CG2-CB 3.86Å; V348-A352 HydrophobicContact CG1-CB 4.06Å; P349-A352 HydrophobicContact CG-CB 3.83Å; P349-A352 WeakPolarHBondContact O-CB 3.36Å; P349-A352 PolarHBondContact O-N 3.5Å; W350-A352 PolarHBondContact O-N 2.95Å
353	Y	94.8	Very high	87.7	Confident	24 Å²	24	61.6 Å²	61.6	9%	0.094	32%	0.316	C	S	.	.			trans	-69.9	136.9	178.5	-63	-63.8	0	0	0	111.3	R248 M249 V250 D294 V296 V348 W350	R248-Y353 HydrophobicContact CG-CD1 4.25Å; R248-Y353 HydrophobicContact CG-CG 4.21Å; M249-Y353 WeakPolarHBondContact O-CA 3.42Å; V250-Y353 HydrophobicContact CB-CD1 4.01Å; V250-Y353 HydrophobicContact CB-CE1 3.95Å; V250-Y353 HydrophobicContact CG2-CD1 4.33Å; V250-Y353 HydrophobicContact CG2-CE1 4.09Å; D294-Y353 HydrophobicContact CB-CE2 4.2Å; D294-Y353 PolarHBondContact OD2-OH 3.31Å; V296-Y353 HydrophobicContact CG2-CD1 3.75Å; V296-Y353 HydrophobicContact CG2-CE1 3.39Å; V348-Y353 WeakPolarHBondContact CB-OH 3.47Å; V348-Y353 HydrophobicContact CG1-CE1 3.79Å; V348-Y353 HydrophobicContact CG1-CE2 4.04Å; V348-Y353 WeakPolarHBondContact CG1-OH 3.15Å; W350-Y353 HydrophobicContact CE3-CD2 4.1Å; W350-Y353 HydrophobicContact CE3-CE2 4.24Å; W350-Y353 WeakPolarHBondContact O-CD2 3.37Å; W350-Y353 PolarHBondContact O-N 2.96Å
354	G	93.1	Very high	87.3	Confident	3 Å²	3	62.2 Å²	62.2	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	172.1	169.4	0	0	0	0	0	111.5	R248 M249 T336	R248-G354 WeakPolarHBondContact CA-O 3.29Å; M249-G354 PolarHBondContact N-O 2.87Å; M249-G354 PolarHBondContact O-N 3.4Å; T336-G354 VanDerWaalsContact O-CA 3.25Å; T336-G354 WeakPolarHBondContact O-CA 3.41Å
355	E	91.8	Very high	87.1	Confident	102 Å²	102	65.7 Å²	65.7	48%	0.477	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.6	175.2	-69.3	-172.2	171.6	0	0	110.7	P246 L247 T336	P246-E355 HydrophobicContact CB-CB 4.45Å; L247-E355 WeakPolarHBondContact O-CA 3.36Å; T336-E355 PolarHBondContact O-N 3.2Å; T336-E355 VanDerWaalsContact O-N 3.12Å
356	V	91.8	Very high	87.2	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	140	-177.2	67.6	0	0	0	0	112.3	L247 M249 L298 T336 V358 L371	L247-V356 PolarHBondContact N-O 3.33Å; L247-V356 PolarHBondContact O-N 2.73Å; M249-V356 HydrophobicContact CG-CG1 4.48Å; M249-V356 HydrophobicContact SD-CB 4.45Å; M249-V356 HydrophobicContact SD-CG1 3.92Å; L298-V356 HydrophobicContact CD2-CG1 3.81Å; T336-V356 HydrophobicContact CG2-CB 3.9Å; T336-V356 HydrophobicContact CG2-CG1 4.48Å; T336-V356 HydrophobicContact CG2-CG2 3.98Å; V356-V358 HydrophobicContact CG1-CG2 3.83Å; V356-L371 HydrophobicContact CG1-CD2 4.19Å; V356-L371 HydrophobicContact CG2-CB 3.8Å; V356-L371 HydrophobicContact CG2-CD2 4.08Å; V356-L371 HydrophobicContact CG2-CG 4.38Å
357	H	91.1	Very high	87.5	Confident	65 Å²	65	64 Å²	64	30%	0.301	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.6	169.9	-75.1	-81.2	0	0	0	109.9	H372	H357-H372 HydrophobicContact CB-CB 3.88Å; H357-H372 PolarHBondContact O-N 2.92Å
358	V	90.2	Very high	87.7	Confident	13 Å²	13	59.4 Å²	59.4	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.7	-171	-175	0	0	0	0	111.3	L240 L247 V356 L369 H370 L371	L240-V358 HydrophobicContact CD1-CG1 4.37Å; L240-V358 HydrophobicContact CD2-CB 4.29Å; L240-V358 HydrophobicContact CD2-CG1 4.17Å; L247-V358 HydrophobicContact CD1-CB 3.91Å; L247-V358 HydrophobicContact CD1-CG2 3.72Å; L247-V358 HydrophobicContact CG-CG2 4.35Å; V356-V358 HydrophobicContact CG1-CG2 3.83Å; V358-L369 HydrophobicContact CG1-CD1 3.18Å; V358-L369 HydrophobicContact CG1-CD2 3.95Å; V358-L369 HydrophobicContact CG1-CG 3.41Å; V358-L369 VanDerWaalsContact CG1-CG 3.41Å; V358-H370 CarbonylContact C-O 3.54Å; V358-H370 WeakPolarHBondContact CA-O 3.31Å; V358-L371 HydrophobicContact CB-CD2 4.5Å; V358-L371 HydrophobicContact CG1-CD2 4.25Å; V358-L371 HydrophobicContact CG2-CD2 3.6Å
359	S	88.8	Confident	87.7	Confident	35 Å²	35	59.1 Å²	59.1	25%	0.245	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.8	167.4	70.7	0	0	0	0	110.7	H370 H372	S359-H370 PolarHBondContact N-O 3.05Å; S359-H370 WeakPolarHBondContact O-CA 3.45Å; S359-H370 WeakPolarHBondContact O-CB 3.42Å; S359-H370 PolarHBondContact O-N 3.2Å; S359-H372 WeakPolarHBondContact CB-NE2 3.36Å; S359-H372 PolarHBondContact OG-NE2 3.42Å
360	V	87.6	Confident	87.8	Confident	47 Å²	47	56.8 Å²	56.8	29%	0.285	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.6	172.9	-173.8	0	0	0	0	109.5	L240 T367 L369	L240-V360 HydrophobicContact CB-CG2 4.2Å; L240-V360 HydrophobicContact CD1-CG2 3.31Å; L240-V360 HydrophobicContact CG-CG2 4.34Å; V360-T367 HydrophobicContact CG1-CG2 4.1Å; V360-L369 HydrophobicContact CG2-CD1 4.4Å
361	R	85.1	Confident	87.9	Confident	98 Å²	98	49.1 Å²	49.1	37%	0.37	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128	172.4	-72.1	-167.3	179.5	-114.1	-1.1	110.9	F363 K368 H370	R361-F363 HydrophobicContact CB-CD2 4.16Å; R361-F363 HydrophobicContact CB-CE2 3.56Å; R361-F363 HydrophobicContact CB-CZ 4.26Å; R361-K368 PolarHBondContact N-O 2.97Å; R361-K368 PolarHBondContact O-N 2.91Å; R361-H370 HydrophobicContact CG-CB 4.32Å; R361-H370 PolarHBondContact NE-ND1 2.98Å
362	P	83.8	Confident	87.8	Confident	101 Å²	101	45 Å²	45	66%	0.656	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.3	170.2	31.1	-32.3	0	0	0	110.4
363	F	80	Confident	87.3	Confident	34 Å²	34	46.4 Å²	46.4	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	98.4	172.8	-74.1	-77.6	0	0	0	108.6	M216 F227 L231 R361 S365 K366 K368 I383	M216-F363 HydrophobicContact CE-CB 4.27Å; M216-F363 HydrophobicContact CE-CD1 3.81Å; M216-F363 HydrophobicContact CE-CG 4.37Å; M216-F363 HydrophobicContact SD-CB 3.93Å; M216-F363 HydrophobicContact SD-CD1 4.14Å; M216-F363 HydrophobicContact SD-CG 4.16Å; F227-F363 HydrophobicContact CE1-CZ 4.49Å; F227-F363 HydrophobicContact CE2-CE1 4.08Å; F227-F363 AromaticContact CE2-CZ 3.77Å; F227-F363 HydrophobicContact CE2-CZ 3.77Å; F227-F363 AromaticContact CZ-CE1 3.99Å; F227-F363 HydrophobicContact CZ-CE1 3.99Å; F227-F363 AromaticContact CZ-CZ 3.71Å; F227-F363 HydrophobicContact CZ-CZ 3.71Å; L231-F363 HydrophobicContact CD1-CE2 4.18Å; L231-F363 HydrophobicContact CD1-CZ 4.18Å; L231-F363 HydrophobicContact CD2-CE2 4.42Å; R361-F363 HydrophobicContact CB-CD2 4.16Å; R361-F363 HydrophobicContact CB-CE2 3.56Å; R361-F363 HydrophobicContact CB-CZ 4.26Å; F363-S365 PolarHBondContact O-N 3.03Å; F363-K366 CarbonylContact C-O 3.49Å; F363-K366 PolarHBondContact N-O 3.19Å; F363-K366 PolarHBondContact O-N 3.49Å; F363-K366 VanDerWaalsContact O-O 3.12Å; F363-K368 HydrophobicContact CD2-CB 3.97Å; F363-K368 HydrophobicContact CD2-CD 3.66Å; F363-K368 HydrophobicContact CD2-CG 3.91Å; F363-K368 HydrophobicContact CE2-CB 4.23Å; F363-K368 HydrophobicContact CE2-CD 4.05Å; F363-K368 HydrophobicContact CE2-CG 4.5Å; F363-K368 HydrophobicContact CG-CD 4.35Å; F363-I383 HydrophobicContact CD1-CD1 3.75Å; F363-I383 HydrophobicContact CD2-CD1 4.4Å; F363-I383 HydrophobicContact CE1-CD1 3.17Å; F363-I383 HydrophobicContact CE2-CD1 3.89Å; F363-I383 HydrophobicContact CG-CD1 4.32Å; F363-I383 HydrophobicContact CZ-CD1 3.24Å
364	G	76.8	Confident	86.3	Confident	63 Å²	63	49 Å²	49	65%	0.649	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-121.5	-171.2	0	0	0	0	0	111
365	S	75.4	Confident	85.2	Confident	120 Å²	120	51.3 Å²	51.3	84%	0.839	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.2	176.9	58.2	0	0	0	0	114.4	F363	F363-S365 PolarHBondContact O-N 3.03Å
366	K	80.8	Confident	84.1	Confident	141 Å²	141	55.3 Å²	55.3	61%	0.613	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.2	-177.3	-64.1	-177	-179.2	179.2	0	110.4	F363	F363-K366 CarbonylContact C-O 3.49Å; F363-K366 PolarHBondContact N-O 3.19Å; F363-K366 PolarHBondContact O-N 3.49Å; F363-K366 VanDerWaalsContact O-O 3.12Å
367	T	84.6	Confident	83	Confident	28 Å²	28	57.3 Å²	57.3	17%	0.172	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.8	167.8	47.3	0	0	0	0	109	T234 N237 V360	T234-T367 PolarHBondContact OG1-O 3.32Å; N237-T367 WeakPolarHBondContact OD1-CG2 3.08Å; N237-T367 PolarHBondContact OD1-OG1 3.23Å; N237-T367 VanDerWaalsContact OD1-OG1 3.12Å; V360-T367 HydrophobicContact CG1-CG2 4.1Å
368	K	89.2	Confident	82.7	Confident	9 Å²	9	55.6 Å²	55.6	4%	0.039	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.9	175	-68	-176.2	-177.4	-81.4	0	109.9	L231 L232 D233 R361 F363	L231-K368 HydrophobicContact CB-CD 4.27Å; L232-K368 CarbonylContact O-C 3.53Å; L232-K368 WeakPolarHBondContact O-CA 3.48Å; D233-K368 IonicContact OD1-NZ 3.21Å; D233-K368 PolarHBondContact OD1-NZ 3.11Å; R361-K368 PolarHBondContact N-O 2.97Å; R361-K368 PolarHBondContact O-N 2.91Å; F363-K368 HydrophobicContact CD2-CB 3.97Å; F363-K368 HydrophobicContact CD2-CD 3.66Å; F363-K368 HydrophobicContact CD2-CG 3.91Å; F363-K368 HydrophobicContact CE2-CB 4.23Å; F363-K368 HydrophobicContact CE2-CD 4.05Å; F363-K368 HydrophobicContact CE2-CG 4.5Å; F363-K368 HydrophobicContact CG-CD 4.35Å
369	L	91.3	Very high	82.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115	172	-158.2	66.9	0	0	0	109.2	L231 L232 T234 L240 L298 I319 I321 V358 V360 L371	L231-L369 CarbonylContact C-O 3.57Å; L231-L369 WeakPolarHBondContact CA-O 3.46Å; L232-L369 HydrophobicContact CB-CB 4.4Å; L232-L369 PolarHBondContact N-O 2.68Å; L232-L369 PolarHBondContact O-N 2.9Å; T234-L369 HydrophobicContact CG2-CB 3.57Å; T234-L369 HydrophobicContact CG2-CD1 4.39Å; T234-L369 HydrophobicContact CG2-CG 4.4Å; L240-L369 HydrophobicContact CD1-CD1 3.84Å; L298-L369 HydrophobicContact CD1-CD2 4.09Å; I319-L369 HydrophobicContact CG2-CD2 4.24Å; I321-L369 HydrophobicContact CD1-CD2 3.83Å; V358-L369 HydrophobicContact CG1-CD1 3.18Å; V358-L369 HydrophobicContact CG1-CD2 3.95Å; V358-L369 HydrophobicContact CG1-CG 3.41Å; V358-L369 VanDerWaalsContact CG1-CG 3.41Å; V360-L369 HydrophobicContact CG2-CD1 4.4Å; L369-L371 HydrophobicContact CD2-CD2 3.96Å; L369-L371 HydrophobicContact CG-CD2 4.2Å
370	H	92.7	Very high	83.1	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.019	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	108.2	174.1	-171.2	-172.9	0	0	0	109.8	P228 L231 V358 S359 R361 H372	P228-H370 PolarHBondContact O-NE2 3.46Å; L231-H370 HydrophobicContact CD2-CB 3.48Å; L231-H370 VanDerWaalsContact CD2-CB 3.48Å; V358-H370 CarbonylContact C-O 3.54Å; V358-H370 WeakPolarHBondContact CA-O 3.31Å; S359-H370 PolarHBondContact N-O 3.05Å; S359-H370 WeakPolarHBondContact O-CA 3.45Å; S359-H370 WeakPolarHBondContact O-CB 3.42Å; S359-H370 PolarHBondContact O-N 3.2Å; R361-H370 HydrophobicContact CG-CB 4.32Å; R361-H370 PolarHBondContact NE-ND1 2.98Å; H370-H372 AromaticContact CE1-CE1 3.3Å; H370-H372 PolarHBondContact CE1-CE1 3.45Å; H370-H372 AromaticContact CE1-ND1 3.54Å; H370-H372 AromaticContact CG-CE1 3.81Å; H370-H372 AromaticContact CG-NE2 3.92Å; H370-H372 AromaticContact ND1-CE1 3.22Å; H370-H372 PolarHBondContact ND1-CE1 2.83Å; H370-H372 AromaticContact ND1-ND1 3.89Å; H370-H372 AromaticContact ND1-NE2 3.7Å; H370-H372 AromaticContact NE2-CE1 3.92Å; H370-H372 AromaticContact NE2-ND1 3.82Å
371	L	92.9	Very high	83.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	110	170.4	-57.7	-173	0	0	0	108.7	G229 L230 L232 L298 L332 L335 V356 V358 L369	G229-L371 WeakPolarHBondContact CA-O 3.41Å; L230-L371 HydrophobicContact CB-CB 4.22Å; L230-L371 HydrophobicContact CB-CD1 4.4Å; L230-L371 PolarHBondContact N-O 2.96Å; L230-L371 PolarHBondContact O-N 2.62Å; L232-L371 HydrophobicContact CD1-CD1 3.61Å; L232-L371 HydrophobicContact CD1-CG 4.32Å; L232-L371 HydrophobicContact CG-CD1 4.15Å; L298-L371 HydrophobicContact CD2-CD2 3.99Å; L332-L371 HydrophobicContact CD1-CD1 3.35Å; L335-L371 HydrophobicContact CD2-CB 3.58Å; L335-L371 HydrophobicContact CD2-CD1 4.43Å; V356-L371 HydrophobicContact CG1-CD2 4.19Å; V356-L371 HydrophobicContact CG2-CB 3.8Å; V356-L371 HydrophobicContact CG2-CD2 4.08Å; V356-L371 HydrophobicContact CG2-CG 4.38Å; V358-L371 HydrophobicContact CB-CD2 4.5Å; V358-L371 HydrophobicContact CG1-CD2 4.25Å; V358-L371 HydrophobicContact CG2-CD2 3.6Å; L369-L371 HydrophobicContact CD2-CD2 3.96Å; L369-L371 HydrophobicContact CG-CD2 4.2Å
372	H	89.8	Confident	84.1	Confident	54 Å²	54	46.8 Å²	46.8	25%	0.25	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	144.8	179.2	-64.2	-83.1	0	0	0	110.9	H357 S359 H370	H357-H372 HydrophobicContact CB-CB 3.88Å; H357-H372 PolarHBondContact O-N 2.92Å; S359-H372 WeakPolarHBondContact CB-NE2 3.36Å; S359-H372 PolarHBondContact OG-NE2 3.42Å; H370-H372 AromaticContact CE1-CE1 3.3Å; H370-H372 PolarHBondContact CE1-CE1 3.45Å; H370-H372 AromaticContact CE1-ND1 3.54Å; H370-H372 AromaticContact CG-CE1 3.81Å; H370-H372 AromaticContact CG-NE2 3.92Å; H370-H372 AromaticContact ND1-CE1 3.22Å; H370-H372 PolarHBondContact ND1-CE1 2.83Å; H370-H372 AromaticContact ND1-ND1 3.89Å; H370-H372 AromaticContact ND1-NE2 3.7Å; H370-H372 AromaticContact NE2-CE1 3.92Å; H370-H372 AromaticContact NE2-ND1 3.82Å
373	P	81.9	Confident	84.6	Confident	33 Å²	33	42 Å²	42	21%	0.214	26%	0.258	C	S	.	.			trans	-69.1	136.1	173.2	31.6	-35.5	0	0	0	111.2	P228 L335 G375 T377	P228-P373 HydrophobicContact CB-CG 4.37Å; L335-P373 HydrophobicContact CD1-CB 3.81Å; P373-G375 PolarHBondContact O-N 3.17Å; P373-T377 HydrophobicContact CB-CG2 3.5Å; P373-T377 VanDerWaalsContact CB-CG2 3.5Å; P373-T377 WeakPolarHBondContact CB-OG1 3.25Å
374	A	73.1	Confident	85.5	Confident	78 Å²	78	40.4 Å²	40.4	65%	0.645	25%	0.25	S	S	*	.	S	Bend	trans	-71.3	-11.1	174	0	0	0	0	0	113.1
375	G	71.6	Confident	86.4	Confident	51 Å²	51	37.4 Å²	37.4	53%	0.526	22%	0.22	S	C	.	.	S	Bend	trans	-163.3	-152.3	-178.8	0	0	0	0	0	113.1	P373 T377	P373-G375 PolarHBondContact O-N 3.17Å; G375-T377 VanDerWaalsContact C-N 3.28Å; G375-T377 PolarHBondContact O-N 3.15Å
376	K	67.6	Low	87.4	Confident	187 Å²	187	32.3 Å²	32.3	81%	0.813	18%	0.183	S	C	*	.	S	Bend	trans	-73.8	78.6	173.3	-69.7	-173.7	-179	-177	0	110.2
377	T	69.1	Low	88	Confident	42 Å²	42	34.7 Å²	34.7	26%	0.258	19%	0.188	S	C	.	.			trans	-89.8	157.1	173.6	74.7	0	0	0	0	110.5	L335 P373 G375	L335-T377 HydrophobicContact CD1-CG2 4.17Å; P373-T377 HydrophobicContact CB-CG2 3.5Å; P373-T377 VanDerWaalsContact CB-CG2 3.5Å; P373-T377 WeakPolarHBondContact CB-OG1 3.25Å; G375-T377 VanDerWaalsContact C-N 3.28Å; G375-T377 PolarHBondContact O-N 3.15Å
378	T	85.2	Confident	88.5	Confident	29 Å²	29	36.5 Å²	36.5	18%	0.178	20%	0.196	C	C	.	.	S	Bend	trans	-101.2	20.7	-179.4	57.6	0	0	0	0	111.4	L196 T197 P199 G209 R210	L196-T378 WeakPolarHBondContact O-CA 3.32Å; T197-T378 WeakPolarHBondContact CA-O 3.37Å; T197-T378 WeakPolarHBondContact CG2-O 3.39Å; P199-T378 HydrophobicContact CB-CG2 3.93Å; P199-T378 HydrophobicContact CG-CG2 4.46Å; G209-T378 CarbonylContact C-O 3.28Å; G209-T378 WeakPolarHBondContact CA-O 3.43Å; G209-T378 WeakPolarHBondContact CA-OG1 3.32Å; R210-T378 PolarHBondContact N-O 2.99Å
379	I	91.8	Very high	88.7	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.7	-179.7	-57.5	-63.8	0	0	0	109.5	R210 G229 L230 P331 Q334	R210-I379 HydrophobicContact CB-CD1 3.77Å; G229-I379 WeakPolarHBondContact CA-O 3.21Å; G229-I379 PolarHBondContact N-O 3.01Å; L230-I379 HydrophobicContact CD1-CG2 4.36Å; L230-I379 HydrophobicContact CD2-CG2 3.62Å; L230-I379 HydrophobicContact CG-CG2 3.72Å; P331-I379 HydrophobicContact CB-CD1 4.33Å; P331-I379 HydrophobicContact CB-CG2 4.22Å; Q334-I379 HydrophobicContact CB-CD1 4.37Å; Q334-I379 HydrophobicContact CB-CG1 4.24Å
380	C	94.8	Very high	88.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.6	171.4	64.6	0	0	0	0	111.5	L196 R210 T211 V212 V226 F227 G229	L196-C380 HydrophobicContact CB-CB 4.14Å; L196-C380 HydrophobicContact CD1-CB 3.97Å; R210-C380 PolarHBondContact O-N 2.89Å; T211-C380 CarbonylContact C-O 3.53Å; T211-C380 WeakPolarHBondContact CA-O 3.35Å; V212-C380 PolarHBondContact N-O 2.94Å; V226-C380 HydrophobicContact CG1-CB 4.32Å; F227-C380 CarbonylContact O-C 3.59Å; F227-C380 WeakPolarHBondContact O-CA 3.3Å; F227-C380 WeakPolarHBondContact O-CB 3.42Å; G229-C380 CarbonylContact O-C 3.55Å; G229-C380 VanDerWaalsContact O-C 3.22Å; G229-C380 VanDerWaalsContact O-CA 3.32Å; G229-C380 WeakPolarHBondContact O-CA 3.24Å
381	T	96.1	Very high	88.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	172.8	-56.9	0	0	0	0	109.9	V212 I214 V226 F227 G229 L230 L231	V212-T381 CarbonylContact O-C 3.08Å; V212-T381 VanDerWaalsContact O-CA 3.28Å; V212-T381 WeakPolarHBondContact O-CA 3.38Å; V212-T381 WeakPolarHBondContact O-CG2 3.27Å; I214-T381 HydrophobicContact CD1-CG2 3.54Å; I214-T381 HydrophobicContact CG1-CG2 3.82Å; V226-T381 WeakPolarHBondContact CA-O 3.34Å; F227-T381 PolarHBondContact N-O 3.33Å; F227-T381 PolarHBondContact O-N 3.14Å; G229-T381 PolarHBondContact O-N 3.49Å; G229-T381 PolarHBondContact O-OG1 3.35Å; L230-T381 VanDerWaalsContact CA-OG1 3.28Å; L230-T381 WeakPolarHBondContact CA-OG1 3.48Å; L231-T381 HydrophobicContact CB-CG2 4.01Å; L231-T381 HydrophobicContact CD1-CG2 3.85Å; L231-T381 HydrophobicContact CG-CG2 4.06Å; L231-T381 PolarHBondContact N-OG1 2.93Å; L231-T381 VanDerWaalsContact N-OG1 3.11Å
382	M	96.8	Very high	89	Confident	5 Å²	5	47 Å²	47	3%	0.025	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.8	170.1	-173.6	-176.8	-164.2	0	0	108.7	I186 L189 T211 V212 T213 I214 V226 L384 C399	I186-M382 HydrophobicContact CG2-CE 4.4Å; L189-M382 HydrophobicContact CB-CE 3.66Å; T211-M382 HydrophobicContact CG2-CB 3.75Å; V212-M382 PolarHBondContact O-N 3.4Å; T213-M382 CarbonylContact C-O 3.6Å; T213-M382 WeakPolarHBondContact CA-O 3.36Å; I214-M382 PolarHBondContact N-O 3.36Å; V226-M382 HydrophobicContact CG2-CB 4.19Å; V226-M382 HydrophobicContact CG2-CG 3.9Å; M382-L384 HydrophobicContact CE-CD2 3.49Å; M382-L384 VanDerWaalsContact CE-CD2 3.49Å; M382-L384 HydrophobicContact CG-CD2 4.14Å; M382-L384 HydrophobicContact CG-CG 4.33Å; M382-L384 HydrophobicContact SD-CD2 3.94Å; M382-L384 HydrophobicContact SD-CG 4.35Å; M382-C399 HydrophobicContact SD-CB 4.31Å
383	I	96.1	Very high	89.2	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.2	168.5	-60.8	-172.7	0	0	0	108	I214 M216 S224 A225 F227 L231 F363	I214-I383 WeakPolarHBondContact O-CA 3.47Å; M216-I383 HydrophobicContact CB-CG2 4.44Å; M216-I383 HydrophobicContact CE-CD1 4.5Å; M216-I383 HydrophobicContact CE-CG2 3.36Å; M216-I383 HydrophobicContact CG-CG2 3.81Å; M216-I383 HydrophobicContact SD-CD1 4.33Å; M216-I383 HydrophobicContact SD-CG2 3.69Å; S224-I383 WeakPolarHBondContact CA-O 3.42Å; S224-I383 VanDerWaalsContact CB-O 3.27Å; S224-I383 WeakPolarHBondContact CB-O 3.39Å; A225-I383 PolarHBondContact N-O 3.17Å; A225-I383 VanDerWaalsContact N-O 3.13Å; A225-I383 PolarHBondContact O-N 2.88Å; F227-I383 HydrophobicContact CD2-CD1 4.09Å; F227-I383 HydrophobicContact CD2-CG1 4.16Å; F227-I383 HydrophobicContact CE2-CD1 3.54Å; F227-I383 HydrophobicContact CE2-CG1 3.93Å; F227-I383 HydrophobicContact CZ-CD1 4.49Å; L231-I383 HydrophobicContact CD1-CD1 3.55Å; L231-I383 HydrophobicContact CD1-CG1 3.83Å; F363-I383 HydrophobicContact CD1-CD1 3.75Å; F363-I383 HydrophobicContact CD2-CD1 4.4Å; F363-I383 HydrophobicContact CE1-CD1 3.17Å; F363-I383 HydrophobicContact CE2-CD1 3.89Å; F363-I383 HydrophobicContact CG-CD1 4.32Å; F363-I383 HydrophobicContact CZ-CD1 3.24Å
384	L	97.3	Very high	89.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.8	173.1	-68.5	178.3	0	0	0	109.4	I186 T213 I214 P215 M216 M382 L392 L395 K396 C399	I186-L384 HydrophobicContact CD1-CD2 4.12Å; T213-L384 HydrophobicContact CG2-CD1 3.34Å; T213-L384 HydrophobicContact CG2-CG 3.8Å; I214-L384 PolarHBondContact O-N 3.13Å; P215-L384 CarbonylContact C-O 3.5Å; P215-L384 WeakPolarHBondContact CA-O 3.27Å; M216-L384 PolarHBondContact N-O 3.46Å; M382-L384 HydrophobicContact CE-CD2 3.49Å; M382-L384 VanDerWaalsContact CE-CD2 3.49Å; M382-L384 HydrophobicContact CG-CD2 4.14Å; M382-L384 HydrophobicContact CG-CG 4.33Å; M382-L384 HydrophobicContact SD-CD2 3.94Å; M382-L384 HydrophobicContact SD-CG 4.35Å; L384-L392 HydrophobicContact CB-CD1 3.98Å; L384-L392 WeakPolarHBondContact O-CD1 3.26Å; L384-L395 HydrophobicContact CD1-CG 4.45Å; L384-K396 HydrophobicContact CD1-CB 4.13Å; L384-C399 HydrophobicContact CD1-CB 4.01Å
385	C	96.1	Very high	90.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.3	177	-65.7	0	0	0	0	109.9	M216 H219 S220 V221 E223 S224	M216-C385 VanDerWaalsContact CE-SG 3.54Å; M216-C385 WeakPolarHBondContact O-CA 3.49Å; H219-C385 HydrophobicContact CB-CB 3.89Å; S220-C385 WeakPolarHBondContact O-CB 3.36Å; V221-C385 WeakPolarHBondContact CA-O 3.43Å; E223-C385 HydrophobicContact CB-CB 4.45Å; S224-C385 PolarHBondContact OG-N 3.12Å
386	H	96.2	Very high	92.1	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.065	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	147.8	166.7	-160.6	-77.1	0	0	0	109.7	C176 M216 E217 G218 H219 V221 N388 M391 L392	C176-H386 PolarHBondContact O-NE2 3.28Å; M216-H386 PolarHBondContact O-N 2.94Å; E217-H386 CarbonylContact C-O 3.55Å; E217-H386 WeakPolarHBondContact CA-O 3.29Å; G218-H386 PolarHBondContact N-O 3.1Å; H219-H386 CarbonylContact O-C 3.59Å; H219-H386 WeakPolarHBondContact O-CA 3.38Å; H219-H386 PolarHBondContact O-N 3.31Å; V221-H386 HydrophobicContact CG2-CB 4.45Å; V221-H386 WeakPolarHBondContact CG2-CD2 3.45Å; H386-N388 PolarHBondContact ND1-N 2.83Å; H386-N388 VanDerWaalsContact ND1-N 3.1Å; H386-N388 PolarHBondContact ND1-O 3Å; H386-N388 PolarHBondContact O-N 2.89Å; H386-M391 WeakPolarHBondContact CE1-CB 3.5Å; H386-M391 PolarHBondContact CE1-SD 3.22Å; H386-L392 HydrophobicContact CB-CB 3.79Å; H386-L392 HydrophobicContact CB-CD1 3.87Å; H386-L392 HydrophobicContact CB-CG 4.29Å
387	R	95.1	Very high	93.4	Very high	191 Å²	191	36.8 Å²	36.8	72%	0.721	18%	0.183	S	C	*	.	S	Bend	trans	-70.9	-15	-179.7	-65.9	-179.8	178.6	167.1	0.6	114.2	H219	H219-R387 PolarHBondContact O-N 3.36Å; H219-R387 VanDerWaalsContact O-N 3.15Å
388	N	94.9	Very high	94.7	Very high	65 Å²	65	34.8 Å²	34.8	35%	0.348	17%	0.171	S	C	.	.	S	Bend	trans	-130.8	126.2	-173	179.9	-78.4	0	0	0	109.4	H386 T390 M391 L392	H386-N388 PolarHBondContact ND1-N 2.83Å; H386-N388 VanDerWaalsContact ND1-N 3.1Å; H386-N388 PolarHBondContact ND1-O 3Å; H386-N388 PolarHBondContact O-N 2.89Å; N388-T390 PolarHBondContact O-N 3.37Å; N388-T390 VanDerWaalsContact OD1-CB 3.3Å; N388-T390 WeakPolarHBondContact OD1-CB 3.33Å; N388-T390 PolarHBondContact OD1-N 3.18Å; N388-M391 HydrophobicContact CB-CB 4.26Å; N388-M391 HydrophobicContact CB-CG 4.12Å; N388-M391 HydrophobicContact CB-SD 3.9Å; N388-M391 PolarHBondContact O-N 3.19Å; N388-M391 PolarHBondContact OD1-N 3.03Å; N388-M391 VanDerWaalsContact OD1-N 3.13Å; N388-L392 WeakPolarHBondContact O-CB 3.3Å; N388-L392 PolarHBondContact O-N 3.32Å
389	E	93.3	Very high	95.2	Very high	119 Å²	119	33.6 Å²	33.6	56%	0.556	16%	0.164	S	C	*	.	H	α-helix	trans	-60.7	-40.4	-176.6	-167.8	-174.6	-175.6	0	0	113.7	E217 L392 S393	E217-E389 HydrophobicContact CG-CB 4.27Å; E389-L392 WeakPolarHBondContact O-CB 2.88Å; E389-L392 PolarHBondContact O-N 2.93Å; E389-S393 WeakPolarHBondContact O-CB 3.35Å; E389-S393 PolarHBondContact O-N 3.06Å; E389-S393 PolarHBondContact O-OG 3.13Å
390	T	91.9	Very high	95.4	Very high	58 Å²	58	37.3 Å²	37.3	36%	0.356	18%	0.181	S	C	.	.	H	α-helix	trans	-63.5	-48.3	179.8	-53.9	0	0	0	0	110.6	N388 L392 S393 E394	N388-T390 PolarHBondContact O-N 3.37Å; N388-T390 VanDerWaalsContact OD1-CB 3.3Å; N388-T390 WeakPolarHBondContact OD1-CB 3.33Å; N388-T390 PolarHBondContact OD1-N 3.18Å; T390-L392 VanDerWaalsContact C-N 3.32Å; T390-L392 PolarHBondContact O-N 2.79Å; T390-S393 PolarHBondContact O-N 2.98Å; T390-E394 PolarHBondContact O-N 3.41Å; T390-E394 VanDerWaalsContact O-N 3.14Å
391	M	94.8	Very high	95.5	Very high	51 Å²	51	37.9 Å²	37.9	25%	0.251	18%	0.184	S	C	.	.	H	α-helix	trans	-66.3	-36.6	177.9	-59.7	174.8	-175.4	0	0	111.2	T175 V177 H386 N388 E394 L395	T175-M391 WeakPolarHBondContact O-CG 3.3Å; V177-M391 HydrophobicContact CB-CE 4.14Å; V177-M391 HydrophobicContact CB-SD 3.91Å; V177-M391 HydrophobicContact CG2-CE 3.63Å; V177-M391 HydrophobicContact CG2-CG 4.49Å; V177-M391 HydrophobicContact CG2-SD 3.9Å; H386-M391 WeakPolarHBondContact CE1-CB 3.5Å; H386-M391 PolarHBondContact CE1-SD 3.22Å; N388-M391 HydrophobicContact CB-CB 4.26Å; N388-M391 HydrophobicContact CB-CG 4.12Å; N388-M391 HydrophobicContact CB-SD 3.9Å; N388-M391 PolarHBondContact O-N 3.19Å; N388-M391 PolarHBondContact OD1-N 3.03Å; N388-M391 VanDerWaalsContact OD1-N 3.13Å; M391-E394 PolarHBondContact O-N 3.46Å; M391-L395 VanDerWaalsContact O-CB 3.25Å; M391-L395 WeakPolarHBondContact O-CB 3.45Å; M391-L395 PolarHBondContact O-N 2.86Å
392	L	96.1	Very high	95.5	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-43.7	174.6	-174	50.2	0	0	0	112.3	P215 M216 E217 L384 H386 N388 E389 T390 L395 K396	P215-L392 HydrophobicContact CB-CD1 4.06Å; P215-L392 HydrophobicContact CB-CD2 3.73Å; P215-L392 HydrophobicContact CB-CG 3.75Å; M216-L392 VanDerWaalsContact C-CD2 3.47Å; M216-L392 WeakPolarHBondContact O-CD2 3.31Å; E217-L392 HydrophobicContact CB-CD2 4.11Å; L384-L392 HydrophobicContact CB-CD1 3.98Å; L384-L392 WeakPolarHBondContact O-CD1 3.26Å; H386-L392 HydrophobicContact CB-CB 3.79Å; H386-L392 HydrophobicContact CB-CD1 3.87Å; H386-L392 HydrophobicContact CB-CG 4.29Å; N388-L392 WeakPolarHBondContact O-CB 3.3Å; N388-L392 PolarHBondContact O-N 3.32Å; E389-L392 WeakPolarHBondContact O-CB 2.88Å; E389-L392 PolarHBondContact O-N 2.93Å; T390-L392 VanDerWaalsContact C-N 3.32Å; T390-L392 PolarHBondContact O-N 2.79Å; L392-L395 PolarHBondContact O-N 2.87Å; L392-K396 WeakPolarHBondContact O-CB 3.33Å; L392-K396 PolarHBondContact O-N 2.84Å
393	S	94	Very high	95.5	Very high	69 Å²	69	38.5 Å²	38.5	48%	0.483	19%	0.187	S	C	.	.	H	α-helix	trans	-64.3	-42.6	-179.7	-63.9	0	0	0	0	111.1	E389 T390 L397	E389-S393 WeakPolarHBondContact O-CB 3.35Å; E389-S393 PolarHBondContact O-N 3.06Å; E389-S393 PolarHBondContact O-OG 3.13Å; T390-S393 PolarHBondContact O-N 2.98Å; S393-L397 PolarHBondContact O-N 2.87Å
394	E	94.1	Very high	95.5	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-46.2	172.7	-170.4	83.7	170.1	0	0	111	T69 T71 T175 T390 M391 K396 L397 V398	T69-E394 VanDerWaalsContact OG1-CD 3.28Å; T69-E394 PolarHBondContact OG1-OE1 2.93Å; T69-E394 PolarHBondContact OG1-OE2 3.34Å; T71-E394 WeakPolarHBondContact CB-OE1 3.46Å; T71-E394 PolarHBondContact OG1-OE1 3.48Å; T175-E394 HydrophobicContact CG2-CB 3.91Å; T175-E394 HydrophobicContact CG2-CG 3.85Å; T390-E394 PolarHBondContact O-N 3.41Å; T390-E394 VanDerWaalsContact O-N 3.14Å; M391-E394 PolarHBondContact O-N 3.46Å; E394-K396 PolarHBondContact O-N 3.16Å; E394-L397 WeakPolarHBondContact O-CA 3.48Å; E394-L397 WeakPolarHBondContact O-CB 3.35Å; E394-L397 PolarHBondContact O-N 3.18Å; E394-V398 HydrophobicContact CG-CG2 4.1Å; E394-V398 VanDerWaalsContact O-CG2 3.31Å; E394-V398 WeakPolarHBondContact O-CG2 3.36Å; E394-V398 PolarHBondContact O-N 3.02Å
395	L	96.6	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.6	-40.5	179.6	-176.6	61.1	0	0	0	111.9	C176 L178 I186 V221 L384 M391 L392 V398 C399	C176-L395 HydrophobicContact CB-CD1 4.4Å; L178-L395 HydrophobicContact CD1-CD1 3.97Å; I186-L395 HydrophobicContact CG2-CD1 4.18Å; V221-L395 HydrophobicContact CG1-CD2 4.44Å; L384-L395 HydrophobicContact CD1-CG 4.45Å; M391-L395 VanDerWaalsContact O-CB 3.25Å; M391-L395 WeakPolarHBondContact O-CB 3.45Å; M391-L395 PolarHBondContact O-N 2.86Å; L392-L395 PolarHBondContact O-N 2.87Å; L395-V398 PolarHBondContact O-N 2.92Å; L395-C399 WeakPolarHBondContact O-CB 3.42Å; L395-C399 PolarHBondContact O-N 3.38Å; L395-C399 PolarHBondContact O-SG 2.63Å
396	K	96.6	Very high	95.5	Very high	69 Å²	69	40.8 Å²	40.8	30%	0.3	20%	0.197	S	C	.	.	H	α-helix	trans	-58.1	-48.8	173.2	178.7	-178.2	178.9	-176.3	0	111.7	T213 P215 L384 L392 E394 V398 C399 Q400	T213-K396 HydrophobicContact CG2-CG 3.94Å; P215-K396 HydrophobicContact CG-CD 4.28Å; L384-K396 HydrophobicContact CD1-CB 4.13Å; L392-K396 WeakPolarHBondContact O-CB 3.33Å; L392-K396 PolarHBondContact O-N 2.84Å; E394-K396 PolarHBondContact O-N 3.16Å; K396-V398 VanDerWaalsContact C-N 3.35Å; K396-C399 PolarHBondContact O-N 3.36Å; K396-Q400 VanDerWaalsContact O-CG 3.3Å; K396-Q400 WeakPolarHBondContact O-CG 3.28Å; K396-Q400 PolarHBondContact O-N 2.82Å; K396-Q400 VanDerWaalsContact O-N 3.12Å
397	L	95	Very high	95.4	Very high	43 Å²	43	42.8 Å²	42.8	23%	0.225	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-43.7	178.1	177.7	62.3	0	0	0	111.4	T71 V74 S393 E394 Q400 K401	T71-L397 HydrophobicContact CG2-CD2 3.86Å; V74-L397 HydrophobicContact CG2-CD2 3.78Å; S393-L397 PolarHBondContact O-N 2.87Å; E394-L397 WeakPolarHBondContact O-CA 3.48Å; E394-L397 WeakPolarHBondContact O-CB 3.35Å; E394-L397 PolarHBondContact O-N 3.18Å; L397-Q400 PolarHBondContact O-N 3.18Å; L397-K401 HydrophobicContact CG-CD 4.36Å; L397-K401 WeakPolarHBondContact O-CG 3.25Å; L397-K401 PolarHBondContact O-N 3.37Å
398	V	95.5	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-40.1	-179.5	175.9	0	0	0	0	111.6	I170 K173 E394 L395 K396 Q400 K401 T402	I170-V398 HydrophobicContact CB-CG1 4.28Å; I170-V398 HydrophobicContact CG1-CG1 3.96Å; K173-V398 HydrophobicContact CB-CG1 4.47Å; K173-V398 HydrophobicContact CB-CG2 3.91Å; K173-V398 HydrophobicContact CD-CG2 4.22Å; K173-V398 HydrophobicContact CG-CG1 4.08Å; K173-V398 HydrophobicContact CG-CG2 3.65Å; E394-V398 HydrophobicContact CG-CG2 4.1Å; E394-V398 VanDerWaalsContact O-CG2 3.31Å; E394-V398 WeakPolarHBondContact O-CG2 3.36Å; E394-V398 PolarHBondContact O-N 3.02Å; L395-V398 PolarHBondContact O-N 2.92Å; K396-V398 VanDerWaalsContact C-N 3.35Å; V398-Q400 PolarHBondContact O-N 3.17Å; V398-K401 PolarHBondContact O-N 2.91Å; V398-T402 WeakPolarHBondContact O-CB 3.25Å; V398-T402 PolarHBondContact O-N 2.76Å; V398-T402 PolarHBondContact O-OG1 3.36Å
399	C	97.2	Very high	95.3	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.034	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-40.1	174.8	-68.9	0	0	0	0	112	I186 M382 L384 L395 K396 T402 E403	I186-C399 VanDerWaalsContact CG2-SG 3.56Å; M382-C399 HydrophobicContact SD-CB 4.31Å; L384-C399 HydrophobicContact CD1-CB 4.01Å; L395-C399 WeakPolarHBondContact O-CB 3.42Å; L395-C399 PolarHBondContact O-N 3.38Å; L395-C399 PolarHBondContact O-SG 2.63Å; K396-C399 PolarHBondContact O-N 3.36Å; C399-T402 WeakPolarHBondContact O-CB 3.42Å; C399-T402 PolarHBondContact O-N 2.94Å; C399-E403 PolarHBondContact O-N 2.8Å
400	Q	95.6	Very high	95.2	Very high	81 Å²	81	29.3 Å²	29.3	38%	0.379	15%	0.15	S	C	.	.	H	α-helix	trans	-63.4	-41	175.3	-71.3	173.3	-16.4	0	0	112	K396 L397 V398 T402 E403 H404	K396-Q400 VanDerWaalsContact O-CG 3.3Å; K396-Q400 WeakPolarHBondContact O-CG 3.28Å; K396-Q400 PolarHBondContact O-N 2.82Å; K396-Q400 VanDerWaalsContact O-N 3.12Å; L397-Q400 PolarHBondContact O-N 3.18Å; V398-Q400 PolarHBondContact O-N 3.17Å; Q400-T402 VanDerWaalsContact C-N 3.34Å; Q400-E403 PolarHBondContact O-N 3.43Å; Q400-H404 PolarHBondContact O-N 2.71Å; Q400-H404 VanDerWaalsContact O-N 3.1Å
401	K	95.9	Very high	95	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-43.1	173.6	-69.5	171.1	173.4	-112.9	0	111.6	T71 S73 S101 L397 V398 H404 V405	T71-K401 HydrophobicContact CG2-CD 4.45Å; T71-K401 VanDerWaalsContact CG2-CE 3.45Å; S73-K401 WeakPolarHBondContact OG-CE 3.46Å; S73-K401 PolarHBondContact OG-NZ 3.22Å; S73-K401 VanDerWaalsContact OG-NZ 3.12Å; S101-K401 WeakPolarHBondContact O-CG 3.31Å; S101-K401 PolarHBondContact O-NZ 3.08Å; S101-K401 VanDerWaalsContact O-NZ 3.13Å; L397-K401 HydrophobicContact CG-CD 4.36Å; L397-K401 WeakPolarHBondContact O-CG 3.25Å; L397-K401 PolarHBondContact O-N 3.37Å; V398-K401 PolarHBondContact O-N 2.91Å; K401-H404 PolarHBondContact O-N 2.93Å; K401-H404 VanDerWaalsContact O-N 3.15Å; K401-V405 WeakPolarHBondContact O-CG2 3.48Å; K401-V405 PolarHBondContact O-N 3.21Å
402	T	97.4	Very high	94.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-46.5	178.5	-57.5	0	0	0	0	111.2	A166 V169 I170 A190 V398 C399 Q400 H404 V405 L406	A166-T402 HydrophobicContact CB-CG2 3.52Å; V169-T402 WeakPolarHBondContact CG1-OG1 3.47Å; I170-T402 HydrophobicContact CD1-CG2 4.3Å; A190-T402 HydrophobicContact CB-CG2 3.92Å; V398-T402 WeakPolarHBondContact O-CB 3.25Å; V398-T402 PolarHBondContact O-N 2.76Å; V398-T402 PolarHBondContact O-OG1 3.36Å; C399-T402 WeakPolarHBondContact O-CB 3.42Å; C399-T402 PolarHBondContact O-N 2.94Å; Q400-T402 VanDerWaalsContact C-N 3.34Å; T402-H404 VanDerWaalsContact C-N 3.29Å; T402-H404 PolarHBondContact O-N 3.49Å; T402-V405 PolarHBondContact O-N 2.65Å; T402-L406 HydrophobicContact CG2-CD1 4.23Å; T402-L406 VanDerWaalsContact O-CG 3.32Å; T402-L406 WeakPolarHBondContact O-CG 3.06Å; T402-L406 PolarHBondContact O-N 2.77Å
403	E	96.1	Very high	94.6	Very high	18 Å²	18	40.1 Å²	40.1	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-58.7	-41.6	174.4	-174.1	-170.9	-175.7	0	0	111.6	T211 C399 Q400 L406 R407	T211-E403 WeakPolarHBondContact CB-OE1 3.29Å; T211-E403 PolarHBondContact N-OE1 3.34Å; T211-E403 VanDerWaalsContact OG1-CD 3.28Å; T211-E403 PolarHBondContact OG1-OE1 2.68Å; C399-E403 PolarHBondContact O-N 2.8Å; Q400-E403 PolarHBondContact O-N 3.43Å; E403-L406 PolarHBondContact O-N 3.25Å; E403-R407 VanDerWaalsContact CD-NH1 3.3Å; E403-R407 WeakPolarHBondContact O-CG 3.49Å; E403-R407 PolarHBondContact O-N 3.18Å; E403-R407 IonicContact OE1-CZ 3.43Å; E403-R407 IonicContact OE1-NH1 3.16Å; E403-R407 PolarHBondContact OE1-NH1 3.39Å; E403-R407 IonicContact OE1-NH2 3.74Å; E403-R407 PolarHBondContact OE1-NH2 3.07Å; E403-R407 IonicContact OE2-NH1 3.87Å
404	H	95.9	Very high	94.6	Very high	47 Å²	47	36.9 Å²	36.9	22%	0.218	17%	0.167	C	C	.	.	H	α-helix	trans	-66.5	-43.3	177.1	-168.3	-170.1	0	0	0	112.4	R99 S101 Q400 K401 T402 L406 R407 L408	R99-H404 PolarHBondContact O-CE1 3.47Å; S101-H404 WeakPolarHBondContact CB-ND1 3.43Å; S101-H404 PolarHBondContact OG-ND1 3.21Å; Q400-H404 PolarHBondContact O-N 2.71Å; Q400-H404 VanDerWaalsContact O-N 3.1Å; K401-H404 PolarHBondContact O-N 2.93Å; K401-H404 VanDerWaalsContact O-N 3.15Å; T402-H404 VanDerWaalsContact C-N 3.29Å; T402-H404 PolarHBondContact O-N 3.49Å; H404-L406 VanDerWaalsContact C-N 3.32Å; H404-L406 PolarHBondContact O-N 3.43Å; H404-R407 WeakPolarHBondContact O-CA 3.31Å; H404-R407 WeakPolarHBondContact O-CB 3.39Å; H404-R407 PolarHBondContact O-N 2.94Å; H404-L408 WeakPolarHBondContact O-CG 3.37Å; H404-L408 PolarHBondContact O-N 3.17Å
405	V	96.8	Very high	94.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-44.9	174.7	164	0	0	0	0	111.1	D102 L165 V169 K401 T402 R407 L408	D102-V405 HydrophobicContact CB-CG2 3.66Å; L165-V405 HydrophobicContact CD1-CG1 4.06Å; L165-V405 HydrophobicContact CD2-CG1 3.87Å; L165-V405 HydrophobicContact CG-CG1 3.93Å; V169-V405 HydrophobicContact CG2-CB 4.4Å; V169-V405 HydrophobicContact CG2-CG1 4.15Å; V169-V405 HydrophobicContact CG2-CG2 4.25Å; K401-V405 WeakPolarHBondContact O-CG2 3.48Å; K401-V405 PolarHBondContact O-N 3.21Å; T402-V405 PolarHBondContact O-N 2.65Å; V405-R407 VanDerWaalsContact C-N 3.3Å; V405-R407 PolarHBondContact O-N 3.46Å; V405-L408 WeakPolarHBondContact O-CB 3.19Å; V405-L408 PolarHBondContact O-N 3.33Å; V405-L408 VanDerWaalsContact O-N 3.13Å
406	L	96	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-35.3	174.5	-68	169.1	0	0	0	112	L162 L165 A166 V191 F194 T402 E403 H404 L408 T409	L162-L406 HydrophobicContact CB-CD2 4.1Å; L162-L406 HydrophobicContact CD2-CD2 4.06Å; L165-L406 HydrophobicContact CD2-CD2 4.4Å; A166-L406 HydrophobicContact CB-CD1 4.42Å; V191-L406 HydrophobicContact CG2-CD1 4.02Å; V191-L406 HydrophobicContact CG2-CD2 4.39Å; F194-L406 HydrophobicContact CB-CB 4.31Å; F194-L406 HydrophobicContact CB-CD1 3.81Å; F194-L406 HydrophobicContact CD1-CB 3.97Å; F194-L406 HydrophobicContact CD1-CD1 4.26Å; F194-L406 HydrophobicContact CD2-CB 3.76Å; F194-L406 HydrophobicContact CE1-CB 4.19Å; F194-L406 HydrophobicContact CE2-CB 4Å; F194-L406 WeakPolarHBondContact CE2-O 3.19Å; F194-L406 HydrophobicContact CG-CB 3.73Å; F194-L406 HydrophobicContact CG-CD1 4.05Å; F194-L406 HydrophobicContact CG-CG 4.49Å; F194-L406 HydrophobicContact CZ-CB 4.19Å; F194-L406 VanDerWaalsContact CZ-O 3.31Å; F194-L406 WeakPolarHBondContact CZ-O 3.45Å; T402-L406 HydrophobicContact CG2-CD1 4.23Å; T402-L406 VanDerWaalsContact O-CG 3.32Å; T402-L406 WeakPolarHBondContact O-CG 3.06Å; T402-L406 PolarHBondContact O-N 2.77Å; E403-L406 PolarHBondContact O-N 3.25Å; H404-L406 VanDerWaalsContact C-N 3.32Å; H404-L406 PolarHBondContact O-N 3.43Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 2.93Å; L406-T409 PolarHBondContact O-N 3.37Å; L406-T409 PolarHBondContact O-OG1 3.26Å
407	R	94.3	Very high	94.7	Very high	57 Å²	57	33.4 Å²	33.4	22%	0.215	15%	0.152	C	C	.	.	H	α-helix	trans	-66.6	-32.6	173.2	-74.6	-178.1	176.9	120.5	-0.1	113.1	F194 L208 G209 E403 H404 V405 T409 L410	F194-R407 HydrophobicContact CD2-CG 4.13Å; F194-R407 HydrophobicContact CE2-CB 4.49Å; F194-R407 HydrophobicContact CE2-CG 3.94Å; L208-R407 HydrophobicContact CD1-CG 4.18Å; G209-R407 PolarHBondContact O-NH2 2.6Å; E403-R407 VanDerWaalsContact CD-NH1 3.3Å; E403-R407 WeakPolarHBondContact O-CG 3.49Å; E403-R407 PolarHBondContact O-N 3.18Å; E403-R407 IonicContact OE1-CZ 3.43Å; E403-R407 IonicContact OE1-NH1 3.16Å; E403-R407 PolarHBondContact OE1-NH1 3.39Å; E403-R407 IonicContact OE1-NH2 3.74Å; E403-R407 PolarHBondContact OE1-NH2 3.07Å; E403-R407 IonicContact OE2-NH1 3.87Å; H404-R407 WeakPolarHBondContact O-CA 3.31Å; H404-R407 WeakPolarHBondContact O-CB 3.39Å; H404-R407 PolarHBondContact O-N 2.94Å; V405-R407 VanDerWaalsContact C-N 3.3Å; V405-R407 PolarHBondContact O-N 3.46Å; R407-T409 PolarHBondContact O-N 2.99Å; R407-L410 WeakPolarHBondContact O-CB 3.29Å; R407-L410 PolarHBondContact O-N 3.02Å
408	L	94.8	Very high	94.7	Very high	23 Å²	23	31.4 Å²	31.4	12%	0.12	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-28.3	176.7	-65.2	176.1	0	0	0	111.8	F100 H404 V405 L406 L410 R411 E412 T548 A549	F100-L408 HydrophobicContact CB-CD1 4.37Å; F100-L408 HydrophobicContact CD1-CD1 4.08Å; F100-L408 HydrophobicContact CD1-CD2 4.26Å; H404-L408 WeakPolarHBondContact O-CG 3.37Å; H404-L408 PolarHBondContact O-N 3.17Å; V405-L408 WeakPolarHBondContact O-CB 3.19Å; V405-L408 PolarHBondContact O-N 3.33Å; V405-L408 VanDerWaalsContact O-N 3.13Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 2.93Å; L408-L410 VanDerWaalsContact C-N 3.25Å; L408-L410 PolarHBondContact O-N 3.28Å; L408-R411 PolarHBondContact O-N 3.39Å; L408-E412 PolarHBondContact O-N 2.65Å; L408-T548 HydrophobicContact CB-CG2 4.47Å; L408-T548 HydrophobicContact CD2-CG2 4.22Å; L408-A549 HydrophobicContact CD1-CB 4.19Å
409	T	93.7	Very high	94.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.1	179.2	72.6	0	0	0	0	113.1	L154 F156 L165 L406 R407 R411 E412 P413	L154-T409 HydrophobicContact CD1-CG2 3.48Å; L154-T409 VanDerWaalsContact CD1-CG2 3.48Å; F156-T409 WeakPolarHBondContact CZ-O 3.34Å; F156-T409 VanDerWaalsContact CZ-OG1 3.28Å; F156-T409 WeakPolarHBondContact CZ-OG1 3.4Å; L165-T409 HydrophobicContact CD2-CG2 3.64Å; L406-T409 PolarHBondContact O-N 3.37Å; L406-T409 PolarHBondContact O-OG1 3.26Å; R407-T409 PolarHBondContact O-N 2.99Å; T409-R411 VanDerWaalsContact C-N 3.26Å; T409-R411 PolarHBondContact O-N 2.84Å; T409-E412 VanDerWaalsContact CA-O 3.32Å; T409-E412 WeakPolarHBondContact CA-O 3.06Å; T409-E412 CarbonylContact O-C 3.55Å; T409-E412 VanDerWaalsContact O-C 3.28Å; T409-P413 VanDerWaalsContact O-CA 3.3Å; T409-P413 WeakPolarHBondContact O-CA 3.18Å
410	L	91.4	Very high	94.7	Very high	66 Å²	66	32 Å²	32	35%	0.346	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.9	174.2	-65.2	174	0	0	0	112.5	F156 F194 V198 L208 R407 L408	F156-L410 HydrophobicContact CE1-CD2 3.91Å; F156-L410 HydrophobicContact CZ-CD2 4.18Å; F194-L410 HydrophobicContact CE2-CD1 3.99Å; F194-L410 HydrophobicContact CE2-CD2 4.44Å; F194-L410 HydrophobicContact CE2-CG 4.14Å; F194-L410 HydrophobicContact CZ-CD1 4.18Å; F194-L410 HydrophobicContact CZ-CD2 3.8Å; F194-L410 HydrophobicContact CZ-CG 3.88Å; V198-L410 HydrophobicContact CG1-CD2 4.16Å; V198-L410 HydrophobicContact CG2-CD1 4Å; V198-L410 HydrophobicContact CG2-CD2 4.19Å; L208-L410 HydrophobicContact CD1-CD1 3.96Å; L208-L410 HydrophobicContact CD2-CD1 3.69Å; R407-L410 WeakPolarHBondContact O-CB 3.29Å; R407-L410 PolarHBondContact O-N 3.02Å; L408-L410 VanDerWaalsContact C-N 3.25Å; L408-L410 PolarHBondContact O-N 3.28Å
411	R	88.1	Confident	94.7	Very high	229 Å²	229	28.1 Å²	28.1	86%	0.864	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-41.2	177	-177.4	176.6	178.6	178.8	-1.1	111.4	L408 T409	L408-R411 PolarHBondContact O-N 3.39Å; T409-R411 VanDerWaalsContact C-N 3.26Å; T409-R411 PolarHBondContact O-N 2.84Å
412	E	89.9	Confident	94.8	Very high	62 Å²	62	27.6 Å²	27.6	29%	0.29	13%	0.128	S	C	.	.	S	Bend	trans	-133.8	98.5	-175.1	-172.1	60.5	-117.8	0	0	108	L408 T409 C414 F547	L408-E412 PolarHBondContact O-N 2.65Å; T409-E412 VanDerWaalsContact CA-O 3.32Å; T409-E412 WeakPolarHBondContact CA-O 3.06Å; T409-E412 CarbonylContact O-C 3.55Å; T409-E412 VanDerWaalsContact O-C 3.28Å; E412-C414 VanDerWaalsContact CG-SG 3.58Å; E412-C414 PolarHBondContact O-N 3.17Å; E412-F547 HydrophobicContact CG-CD1 3.57Å; E412-F547 HydrophobicContact CG-CE1 3.78Å
413	P	92.8	Very high	94.8	Very high	50 Å²	50	27.6 Å²	27.6	33%	0.325	13%	0.128	S	C	.	.			trans	-79	45.5	-168.3	35.3	-38.8	0	0	0	112.3	Q153 L154 F156 T409	Q153-P413 PolarHBondContact OE1-O 2.87Å; L154-P413 WeakPolarHBondContact CB-O 3.26Å; L154-P413 PolarHBondContact N-O 3.42Å; F156-P413 HydrophobicContact CD2-CB 4.48Å; F156-P413 HydrophobicContact CE2-CB 3.8Å; T409-P413 VanDerWaalsContact O-CA 3.3Å; T409-P413 WeakPolarHBondContact O-CA 3.18Å
414	C	93.1	Very high	94.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.4	176.3	64.3	0	0	0	0	112.6	K151 V152 E412 F547	K151-C414 HydrophobicContact CG-CB 4.24Å; V152-C414 CarbonylContact O-C 3.55Å; V152-C414 VanDerWaalsContact O-CA 3.28Å; V152-C414 WeakPolarHBondContact O-CA 3.37Å; V152-C414 WeakPolarHBondContact O-CB 3.18Å; E412-C414 VanDerWaalsContact CG-SG 3.58Å; E412-C414 PolarHBondContact O-N 3.17Å; C414-F547 VanDerWaalsContact O-CB 3.25Å; C414-F547 WeakPolarHBondContact O-CB 3.29Å; C414-F547 VanDerWaalsContact SG-CD1 3.51Å; C414-F547 WeakPolarHBondContact SG-CD2 3.38Å; C414-F547 WeakPolarHBondContact SG-CG 3.35Å
415	A	95.8	Very high	94.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	173.2	172.3	0	0	0	0	0	109.3	V152 L154 L544 D545	V152-A415 PolarHBondContact N-O 3.38Å; V152-A415 PolarHBondContact O-N 2.97Å; L154-A415 HydrophobicContact CD1-CB 4.11Å; L154-A415 HydrophobicContact CD2-CB 3.88Å; L154-A415 HydrophobicContact CG-CB 4.12Å; A415-L544 HydrophobicContact CB-CB 4.17Å; A415-L544 HydrophobicContact CB-CD1 4.22Å; A415-L544 HydrophobicContact CB-CD2 4.21Å; A415-L544 HydrophobicContact CB-CG 4.45Å; A415-D545 WeakPolarHBondContact CA-O 3.4Å; A415-D545 WeakPolarHBondContact CB-O 3.43Å
416	L	96.4	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	153	173.7	-64.3	172.2	0	0	0	110.3	L143 C150 K151 G418 T422 L544 D545 F547 K550	L143-L416 HydrophobicContact CD2-CD1 4.36Å; L143-L416 HydrophobicContact CD2-CD2 3.85Å; C150-L416 CarbonylContact O-C 3.44Å; C150-L416 VanDerWaalsContact O-CA 3.28Å; C150-L416 WeakPolarHBondContact O-CA 3.36Å; K151-L416 HydrophobicContact CB-CD2 4.36Å; L416-G418 PolarHBondContact O-N 3.44Å; L416-T422 WeakPolarHBondContact CB-OG1 3.48Å; L416-T422 HydrophobicContact CD1-CG2 4.1Å; L416-L544 CarbonylContact O-C 3.49Å; L416-L544 VanDerWaalsContact O-CA 3.31Å; L416-L544 WeakPolarHBondContact O-CA 3.41Å; L416-D545 HydrophobicContact CB-CB 4.44Å; L416-D545 PolarHBondContact N-O 3.16Å; L416-D545 PolarHBondContact O-N 2.72Å; L416-F547 HydrophobicContact CD1-CD2 4.13Å; L416-F547 HydrophobicContact CD2-CD2 3.65Å; L416-F547 HydrophobicContact CD2-CE2 4.15Å; L416-F547 HydrophobicContact CG-CB 4.32Å; L416-F547 HydrophobicContact CG-CD2 3.78Å; L416-F547 HydrophobicContact CG-CG 4.5Å; L416-K550 HydrophobicContact CD1-CB 3.83Å; L416-K550 HydrophobicContact CD1-CG 3.86Å
417	L	96.6	Very high	94.9	Very high	5 Å²	5	25 Å²	25	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	118.1	172.4	-65.9	-178.7	0	0	0	109.8	C150 V152 C421 T422 C507 V509 L533 P541 L544	C150-L417 HydrophobicContact CB-CB 4.42Å; C150-L417 HydrophobicContact CB-CD1 4.46Å; C150-L417 PolarHBondContact O-N 3.47Å; V152-L417 HydrophobicContact CG2-CD2 3.58Å; V152-L417 HydrophobicContact CG2-CG 4.11Å; L417-C421 HydrophobicContact CB-CB 4.18Å; L417-T422 PolarHBondContact O-N 2.88Å; L417-T422 PolarHBondContact O-OG1 3.42Å; L417-C507 HydrophobicContact CB-CB 3.99Å; L417-C507 HydrophobicContact CD2-CB 4.27Å; L417-V509 HydrophobicContact CD2-CG2 3.85Å; L417-L533 HydrophobicContact CD1-CD1 4.24Å; L417-P541 HydrophobicContact CD2-CB 3.87Å; L417-L544 HydrophobicContact CD2-CD2 4.48Å
418	G	96.1	Very high	95	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-161.7	-178.1	0	0	0	0	0	113.2	L416 G420 C421 C507 V543	L416-G418 PolarHBondContact O-N 3.44Å; G418-G420 VanDerWaalsContact C-N 3.34Å; G418-G420 PolarHBondContact O-N 3.21Å; G418-C421 WeakPolarHBondContact O-CB 3.25Å; G418-C421 PolarHBondContact O-N 2.97Å; G418-C507 WeakPolarHBondContact O-CB 3.46Å; G418-V543 PolarHBondContact N-O 2.88Å
419	G	95.1	Very high	95	Very high	16 Å²	16	23 Å²	23	17%	0.165	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	39.8	175	0	0	0	0	0	113.4	C421 L470 H486	G419-C421 PolarHBondContact O-N 2.94Å; G419-L470 VanDerWaalsContact C-CD1 3.44Å; G419-H486 PolarHBondContact O-ND1 3.44Å; G419-H486 VanDerWaalsContact O-ND1 3.09Å
420	G	96.3	Very high	95.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-9.9	176.4	0	0	0	0	0	114.9	G418 T422 E423 T424	G418-G420 VanDerWaalsContact C-N 3.34Å; G418-G420 PolarHBondContact O-N 3.21Å; G420-T422 PolarHBondContact O-N 3.4Å; G420-E423 VanDerWaalsContact C-OE2 3.28Å; G420-E423 WeakPolarHBondContact CA-OE2 3.28Å; G420-E423 PolarHBondContact O-N 3.03Å; G420-T424 PolarHBondContact O-N 3.5Å; G420-T424 PolarHBondContact O-OG1 3.01Å; G420-T424 VanDerWaalsContact O-OG1 3.12Å
421	C	96.7	Very high	95.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.6	-35.7	-174.3	-64.4	0	0	0	0	112.4	L417 G418 G419 E423 T424 H425 H485 H486 C507	L417-C421 HydrophobicContact CB-CB 4.18Å; G418-C421 WeakPolarHBondContact O-CB 3.25Å; G418-C421 PolarHBondContact O-N 2.97Å; G419-C421 PolarHBondContact O-N 2.94Å; C421-E423 VanDerWaalsContact C-N 3.34Å; C421-T424 WeakPolarHBondContact CA-OG1 3.3Å; C421-T424 PolarHBondContact O-OG1 3.29Å; C421-H425 WeakPolarHBondContact O-CB 3.5Å; C421-H425 PolarHBondContact O-N 2.99Å; C421-H485 HydrophobicContact CB-CB 4.45Å; C421-H486 PolarHBondContact SG-N 2.83Å; C421-H486 VanDerWaalsContact SG-N 3.4Å; C421-C507 HydrophobicContact CB-CB 4.27Å; C421-C507 VanDerWaalsContact SG-SG 3.65Å
422	T	97.3	Very high	95.6	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-42.6	174	-67.6	0	0	0	0	111.2	L416 L417 G420 L426	L416-T422 WeakPolarHBondContact CB-OG1 3.48Å; L416-T422 HydrophobicContact CD1-CG2 4.1Å; L417-T422 PolarHBondContact O-N 2.88Å; L417-T422 PolarHBondContact O-OG1 3.42Å; G420-T422 PolarHBondContact O-N 3.4Å; T422-L426 HydrophobicContact CG2-CD1 4.05Å; T422-L426 HydrophobicContact CG2-CG 4.42Å; T422-L426 WeakPolarHBondContact O-CB 3.34Å; T422-L426 VanDerWaalsContact O-CG 3.29Å; T422-L426 WeakPolarHBondContact O-CG 3.27Å; T422-L426 PolarHBondContact O-N 3.48Å
423	E	97.8	Very high	95.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.6	-46.6	-179	-69.3	79	-173.9	0	0	112.1	F106 G420 C421 A427 V466 A467 K550	F106-E423 HydrophobicContact CD2-CG 4.25Å; F106-E423 WeakPolarHBondContact CD2-OE1 3.39Å; F106-E423 HydrophobicContact CE2-CG 3.77Å; F106-E423 VanDerWaalsContact CE2-OE1 3.29Å; F106-E423 WeakPolarHBondContact CE2-OE1 3.43Å; G420-E423 VanDerWaalsContact C-OE2 3.28Å; G420-E423 WeakPolarHBondContact CA-OE2 3.28Å; G420-E423 PolarHBondContact O-N 3.03Å; C421-E423 VanDerWaalsContact C-N 3.34Å; E423-A427 WeakPolarHBondContact O-CB 3.48Å; E423-A427 PolarHBondContact O-N 3.18Å; E423-V466 HydrophobicContact CG-CB 4.2Å; E423-V466 HydrophobicContact CG-CG1 4.28Å; E423-A467 HydrophobicContact CB-CB 4.17Å; E423-K550 IonicContact OE1-NZ 3.32Å; E423-K550 PolarHBondContact OE1-NZ 3.45Å
424	T	97.1	Very high	95.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67.8	-38.1	177.2	51.1	0	0	0	0	112.1	G420 C421 A427 A428 A467 I479 A484 H486 L521	G420-T424 PolarHBondContact O-N 3.5Å; G420-T424 PolarHBondContact O-OG1 3.01Å; G420-T424 VanDerWaalsContact O-OG1 3.12Å; C421-T424 WeakPolarHBondContact CA-OG1 3.3Å; C421-T424 PolarHBondContact O-OG1 3.29Å; T424-A427 PolarHBondContact O-N 3.07Å; T424-A428 WeakPolarHBondContact O-CB 3.41Å; T424-A428 PolarHBondContact O-N 3.3Å; T424-A467 HydrophobicContact CG2-CB 3.92Å; T424-I479 HydrophobicContact CG2-CD1 4.36Å; T424-A484 CarbonylContact C-O 3.59Å; T424-A484 WeakPolarHBondContact CB-O 3.49Å; T424-A484 PolarHBondContact OG1-O 2.89Å; T424-H486 HydrophobicContact CG2-CB 3.88Å; T424-H486 PolarHBondContact OG1-N 2.91Å; T424-L521 HydrophobicContact CG2-CD1 3.79Å; T424-L521 HydrophobicContact CG2-CD2 3.99Å
425	H	96.5	Very high	95.7	Very high	8 Å²	8	14.2 Å²	14.2	4%	0.037	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-50.2	174	179.4	90.2	0	0	0	111.8	H142 C150 C421 A427 A428 Y429 A484	H142-H425 AromaticContact CD2-NE2 3.72Å; H142-H425 AromaticContact NE2-CD2 3.79Å; H142-H425 AromaticContact NE2-CE1 3.94Å; H142-H425 AromaticContact NE2-NE2 2.92Å; H142-H425 PolarHBondContact NE2-NE2 3.12Å; C150-H425 HydrophobicContact CB-CB 4.24Å; C150-H425 VanDerWaalsContact SG-CD2 3.59Å; C421-H425 WeakPolarHBondContact O-CB 3.5Å; C421-H425 PolarHBondContact O-N 2.99Å; H425-A427 VanDerWaalsContact C-N 3.33Å; H425-A427 PolarHBondContact O-N 3.05Å; H425-A428 PolarHBondContact O-N 3.04Å; H425-Y429 WeakPolarHBondContact O-CB 3.32Å; H425-Y429 PolarHBondContact O-N 3.19Å; H425-A484 PolarHBondContact N-O 3.34Å
426	L	97.2	Very high	95.4	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-39.5	177.8	-71.9	177	0	0	0	111.9	C139 L143 T422 Y429 V430 L463	C139-L426 HydrophobicContact CB-CD2 4.18Å; L143-L426 HydrophobicContact CD1-CD1 4.26Å; L143-L426 HydrophobicContact CD1-CD2 4.49Å; L143-L426 HydrophobicContact CD2-CD2 4.04Å; L143-L426 HydrophobicContact CG-CD2 4.1Å; T422-L426 HydrophobicContact CG2-CD1 4.05Å; T422-L426 HydrophobicContact CG2-CG 4.42Å; T422-L426 WeakPolarHBondContact O-CB 3.34Å; T422-L426 VanDerWaalsContact O-CG 3.29Å; T422-L426 WeakPolarHBondContact O-CG 3.27Å; T422-L426 PolarHBondContact O-N 3.48Å; L426-Y429 PolarHBondContact O-N 3.34Å; L426-V430 WeakPolarHBondContact O-CB 3.39Å; L426-V430 VanDerWaalsContact O-CG2 3.25Å; L426-V430 WeakPolarHBondContact O-CG2 3.42Å; L426-V430 PolarHBondContact O-N 2.77Å; L426-L463 HydrophobicContact CB-CD1 3.81Å
427	A	96.7	Very high	95.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.9	-46.6	176.6	0	0	0	0	0	111.7	E423 T424 H425 R431 C460 L463 E464	E423-A427 WeakPolarHBondContact O-CB 3.48Å; E423-A427 PolarHBondContact O-N 3.18Å; T424-A427 PolarHBondContact O-N 3.07Å; H425-A427 VanDerWaalsContact C-N 3.33Å; H425-A427 PolarHBondContact O-N 3.05Å; A427-R431 WeakPolarHBondContact O-CG 3.15Å; A427-R431 PolarHBondContact O-N 3.31Å; A427-C460 HydrophobicContact CB-CB 4.08Å; A427-C460 PolarHBondContact O-SG 3.38Å; A427-C460 VanDerWaalsContact O-SG 3.36Å; A427-L463 HydrophobicContact CB-CB 4.18Å; A427-L463 HydrophobicContact CB-CD1 4.29Å; A427-E464 HydrophobicContact CB-CG 3.92Å
428	A	95.6	Very high	94.8	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-63.6	-45.2	176.8	0	0	0	0	0	112	T424 H425 R431 H432 A484 F528 P530	T424-A428 WeakPolarHBondContact O-CB 3.41Å; T424-A428 PolarHBondContact O-N 3.3Å; H425-A428 PolarHBondContact O-N 3.04Å; A428-R431 PolarHBondContact O-N 3.47Å; A428-H432 PolarHBondContact O-N 3.11Å; A428-A484 HydrophobicContact CB-CB 3.6Å; A428-F528 HydrophobicContact CB-CE1 4.33Å; A428-F528 HydrophobicContact CB-CE2 4.31Å; A428-F528 HydrophobicContact CB-CZ 3.89Å; A428-P530 HydrophobicContact CB-CG 3.67Å
429	Y	95.7	Very high	94.2	Very high	35 Å²	35	25.1 Å²	25.1	14%	0.137	13%	0.133	C	C	.	.	H	α-helix	trans	-59.5	-47.8	176.5	174.7	-102.6	0	0	0	112.4	L138 H142 H425 L426 R431 H432 Q433	L138-Y429 HydrophobicContact CD1-CE1 3.84Å; L138-Y429 HydrophobicContact CD2-CE1 4.39Å; L138-Y429 HydrophobicContact CG-CE1 3.79Å; H142-Y429 HydrophobicContact CB-CD1 4.07Å; H142-Y429 HydrophobicContact CB-CE1 3.48Å; H142-Y429 VanDerWaalsContact CB-CE1 3.48Å; H142-Y429 AromaticContact CD2-CD1 3.86Å; H142-Y429 AromaticContact CD2-CG 3.88Å; H142-Y429 AromaticContact CE1-CD2 3.97Å; H142-Y429 AromaticContact CE1-CE2 3.91Å; H142-Y429 AromaticContact CG-CD1 3.89Å; H142-Y429 AromaticContact CG-CE1 3.6Å; H142-Y429 AromaticContact CG-CE2 3.94Å; H142-Y429 AromaticContact CG-CZ 3.63Å; H142-Y429 AromaticContact ND1-CE2 3.66Å; H142-Y429 AromaticContact ND1-CZ 3.69Å; H425-Y429 WeakPolarHBondContact O-CB 3.32Å; H425-Y429 PolarHBondContact O-N 3.19Å; L426-Y429 PolarHBondContact O-N 3.34Å; Y429-R431 PolarHBondContact O-N 2.89Å; Y429-H432 PolarHBondContact O-N 3.46Å; Y429-Q433 HydrophobicContact CE1-CG 4.39Å; Y429-Q433 HydrophobicContact CE2-CG 3.95Å; Y429-Q433 PolarHBondContact O-N 2.96Å
430	V	95.8	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-41.6	178.5	168.4	0	0	0	0	111.2	L135 L138 C139 L426 H432 S434 F459 C460	L135-V430 HydrophobicContact CD1-CG1 4.08Å; L135-V430 HydrophobicContact CD2-CG1 3.75Å; L135-V430 HydrophobicContact CG-CG1 4.36Å; L138-V430 HydrophobicContact CD2-CG2 4.36Å; C139-V430 WeakPolarHBondContact SG-CG2 3.29Å; L426-V430 WeakPolarHBondContact O-CB 3.39Å; L426-V430 VanDerWaalsContact O-CG2 3.25Å; L426-V430 WeakPolarHBondContact O-CG2 3.42Å; L426-V430 PolarHBondContact O-N 2.77Å; V430-H432 VanDerWaalsContact C-N 3.35Å; V430-H432 PolarHBondContact O-N 3.48Å; V430-S434 WeakPolarHBondContact O-CB 3.07Å; V430-S434 PolarHBondContact O-N 3.46Å; V430-S434 PolarHBondContact O-OG 3.27Å; V430-F459 HydrophobicContact CG1-CD1 4.49Å; V430-C460 WeakPolarHBondContact CG1-SG 3.47Å
431	R	94.7	Very high	93.3	Very high	32 Å²	32	32 Å²	32	12%	0.121	16%	0.162	C	C	.	.	H	α-helix	trans	-59.2	-46.9	175.8	-76.5	-172.8	-169.9	103	-8.8	111.8	A427 A428 Y429 K435 E457 C460 E464 Y525	A427-R431 WeakPolarHBondContact O-CG 3.15Å; A427-R431 PolarHBondContact O-N 3.31Å; A428-R431 PolarHBondContact O-N 3.47Å; Y429-R431 PolarHBondContact O-N 2.89Å; R431-K435 PolarHBondContact O-N 3.08Å; R431-E457 IonicContact CZ-OE2 2.89Å; R431-E457 IonicContact NE-OE1 2.88Å; R431-E457 IonicContact NE-OE2 3.21Å; R431-E457 PolarHBondContact NE-OE2 3.31Å; R431-E457 IonicContact NH2-OE1 2.89Å; R431-E457 IonicContact NH2-OE2 3.93Å; R431-C460 HydrophobicContact CG-CB 4.03Å; R431-E464 IonicContact CZ-OE1 3.93Å; R431-E464 IonicContact CZ-OE2 2.59Å; R431-E464 IonicContact NH1-OE1 2.8Å; R431-E464 PolarHBondContact NH1-OE1 3.3Å; R431-E464 IonicContact NH2-OE1 3.52Å; R431-E464 PolarHBondContact NH2-OE1 3.09Å; R431-E464 IonicContact NH2-OE2 2.74Å; R431-E464 PolarHBondContact NH2-OE2 3.1Å; R431-Y525 PolarHBondContact NH1-OH 2.94Å
432	H	94.3	Very high	92.7	Very high	42 Å²	42	32.1 Å²	32.1	19%	0.194	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-52.5	179.5	177.9	-109.7	0	0	0	111.8	A428 Y429 V430 S434 K435 N436 E527	A428-H432 PolarHBondContact O-N 3.11Å; Y429-H432 PolarHBondContact O-N 3.46Å; V430-H432 VanDerWaalsContact C-N 3.35Å; V430-H432 PolarHBondContact O-N 3.48Å; H432-S434 VanDerWaalsContact C-N 3.33Å; H432-S434 PolarHBondContact O-N 2.93Å; H432-K435 PolarHBondContact O-N 3.37Å; H432-N436 PolarHBondContact CE1-ND2 3.07Å; H432-N436 PolarHBondContact NE2-ND2 3.16Å; H432-N436 VanDerWaalsContact NE2-ND2 3.17Å; H432-N436 PolarHBondContact O-N 2.86Å; H432-N436 PolarHBondContact O-ND2 3.36Å; H432-E527 WeakPolarHBondContact CA-OE1 3.29Å; H432-E527 HydrophobicContact CB-CG 4.43Å; H432-E527 IonicContact CD2-OE1 3.75Å
433	Q	93.8	Very high	92.1	Very high	41 Å²	41	36.4 Å²	36.4	19%	0.192	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-36.1	179.5	-87.8	-52.8	94.5	0	0	113.4	L138 Y429 K435 N436 D437	L138-Q433 HydrophobicContact CD1-CB 4.47Å; L138-Q433 HydrophobicContact CD1-CG 4.4Å; L138-Q433 HydrophobicContact CD2-CB 3.85Å; Y429-Q433 HydrophobicContact CE1-CG 4.39Å; Y429-Q433 HydrophobicContact CE2-CG 3.95Å; Y429-Q433 PolarHBondContact O-N 2.96Å; Q433-K435 PolarHBondContact O-N 3.38Å; Q433-N436 PolarHBondContact O-N 2.88Å; Q433-N436 PolarHBondContact OE1-ND2 3.5Å; Q433-D437 PolarHBondContact NE2-OD1 3.48Å; Q433-D437 PolarHBondContact NE2-OD2 3.39Å; Q433-D437 WeakPolarHBondContact O-CB 3.33Å; Q433-D437 PolarHBondContact O-N 2.95Å
434	S	93.7	Very high	91.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-32.3	179.9	-64.1	0	0	0	0	112.4	V430 H432 V438 Y452	V430-S434 WeakPolarHBondContact O-CB 3.07Å; V430-S434 PolarHBondContact O-N 3.46Å; V430-S434 PolarHBondContact O-OG 3.27Å; H432-S434 VanDerWaalsContact C-N 3.33Å; H432-S434 PolarHBondContact O-N 2.93Å; S434-V438 WeakPolarHBondContact O-CA 3.38Å; S434-V438 WeakPolarHBondContact O-CB 3.49Å; S434-V438 PolarHBondContact O-N 2.9Å; S434-Y452 WeakPolarHBondContact O-CE1 3.34Å; S434-Y452 PolarHBondContact OG-OH 3.36Å
435	K	89.8	Confident	91.4	Very high	108 Å²	108	43.4 Å²	43.4	47%	0.47	23%	0.232	S	C	.	.	H	α-helix	trans	-80.9	-37.5	176.5	-78.3	174.6	173.9	-172.3	0	113.1	R431 H432 Q433 D437 V438 L453 E527	R431-K435 PolarHBondContact O-N 3.08Å; H432-K435 PolarHBondContact O-N 3.37Å; Q433-K435 PolarHBondContact O-N 3.38Å; K435-D437 VanDerWaalsContact C-N 3.35Å; K435-V438 WeakPolarHBondContact O-CG1 3.07Å; K435-L453 HydrophobicContact CG-CD2 3.86Å; K435-E527 WeakPolarHBondContact CD-OE1 3.31Å; K435-E527 WeakPolarHBondContact CD-OE2 3.45Å; K435-E527 WeakPolarHBondContact CE-OE2 3.22Å; K435-E527 IonicContact NZ-OE2 2.7Å; K435-E527 PolarHBondContact NZ-OE2 3.12Å
436	N	90.4	Very high	91.1	Very high	89 Å²	89	45.3 Å²	45.3	48%	0.476	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-41.9	176.2	-68.4	-26	0	0	0	111.7	H432 Q433	H432-N436 PolarHBondContact CE1-ND2 3.07Å; H432-N436 PolarHBondContact NE2-ND2 3.16Å; H432-N436 VanDerWaalsContact NE2-ND2 3.17Å; H432-N436 PolarHBondContact O-N 2.86Å; H432-N436 PolarHBondContact O-ND2 3.36Å; Q433-N436 PolarHBondContact O-N 2.88Å; Q433-N436 PolarHBondContact OE1-ND2 3.5Å
437	D	89.5	Confident	90.9	Very high	47 Å²	47	46 Å²	46	25%	0.251	26%	0.258	S	S	.	.	S	Bend	trans	-98.1	3.5	-172	-58.1	-11.2	0	0	0	112.8	Q433 K435 S439 E440 S441	Q433-D437 PolarHBondContact NE2-OD1 3.48Å; Q433-D437 PolarHBondContact NE2-OD2 3.39Å; Q433-D437 WeakPolarHBondContact O-CB 3.33Å; Q433-D437 PolarHBondContact O-N 2.95Å; K435-D437 VanDerWaalsContact C-N 3.35Å; D437-S439 PolarHBondContact O-N 3.42Å; D437-S439 VanDerWaalsContact O-N 3.08Å; D437-E440 PolarHBondContact O-N 2.92Å; D437-S441 PolarHBondContact O-N 2.95Å; D437-S441 PolarHBondContact O-OG 3.32Å
438	V	90.1	Very high	90.8	Very high	18 Å²	18	48.6 Å²	48.6	11%	0.109	28%	0.277	C	S	.	.	H	α-helix	trans	-52.7	-39.1	-173.9	67.3	0	0	0	0	112.8	S434 K435 E440 S442 Q449 Y452 L453	S434-V438 WeakPolarHBondContact O-CA 3.38Å; S434-V438 WeakPolarHBondContact O-CB 3.49Å; S434-V438 PolarHBondContact O-N 2.9Å; K435-V438 WeakPolarHBondContact O-CG1 3.07Å; V438-E440 VanDerWaalsContact C-N 3.29Å; V438-E440 PolarHBondContact O-N 3.41Å; V438-S442 VanDerWaalsContact O-CB 3.25Å; V438-S442 WeakPolarHBondContact O-CB 3.5Å; V438-S442 PolarHBondContact O-N 2.96Å; V438-S442 PolarHBondContact O-OG 3.4Å; V438-Q449 HydrophobicContact CG2-CB 3.67Å; V438-Q449 HydrophobicContact CG2-CG 3.86Å; V438-Y452 HydrophobicContact CB-CD1 4.44Å; V438-Y452 HydrophobicContact CG2-CD1 3.98Å; V438-L453 HydrophobicContact CG2-CD1 4.3Å; V438-L453 HydrophobicContact CG2-CD2 4.26Å; V438-L453 HydrophobicContact CG2-CG 4.08Å
439	S	85	Confident	90.7	Very high	81 Å²	81	53.2 Å²	53.2	57%	0.566	30%	0.298	S	S	*	.	H	α-helix	trans	-70.1	-26.7	-177.8	-61.6	0	0	0	0	112.7	D437 P443	D437-S439 PolarHBondContact O-N 3.42Å; D437-S439 VanDerWaalsContact O-N 3.08Å; S439-P443 WeakPolarHBondContact O-CD 3.5Å; S439-P443 WeakPolarHBondContact O-CG 3.03Å
440	E	86.6	Confident	90.6	Very high	149 Å²	149	56.1 Å²	56.1	70%	0.696	32%	0.32	S	S	*	.	H	α-helix	trans	-93.7	-42.4	180	-60	-169.9	171.7	0	0	111.5	D437 V438 P443 V444	D437-E440 PolarHBondContact O-N 2.92Å; V438-E440 VanDerWaalsContact C-N 3.29Å; V438-E440 PolarHBondContact O-N 3.41Å; E440-P443 WeakPolarHBondContact O-CD 3.38Å; E440-P443 WeakPolarHBondContact O-CG 3.45Å; E440-V444 WeakPolarHBondContact O-CG2 3.41Å
441	S	85.3	Confident	90.6	Very high	12 Å²	12	59 Å²	59	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-76.3	-39.7	-174.6	-66.2	0	0	0	0	113.6	H134 D437 V444 L445	H134-S441 PolarHBondContact NE2-OG 3.47Å; D437-S441 PolarHBondContact O-N 2.95Å; D437-S441 PolarHBondContact O-OG 3.32Å; S441-V444 PolarHBondContact O-N 3.45Å; S441-L445 WeakPolarHBondContact O-CB 3.35Å; S441-L445 VanDerWaalsContact O-CG 3.26Å; S441-L445 WeakPolarHBondContact O-CG 3.33Å; S441-L445 PolarHBondContact O-N 3.22Å
442	S	83.4	Confident	90.6	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-47.9	-179.4	-65.1	0	0	0	0	114.7	V438 V444 L445 G446 C447 Q449 Y452	V438-S442 VanDerWaalsContact O-CB 3.25Å; V438-S442 WeakPolarHBondContact O-CB 3.5Å; V438-S442 PolarHBondContact O-N 2.96Å; V438-S442 PolarHBondContact O-OG 3.4Å; S442-V444 PolarHBondContact O-N 2.76Å; S442-L445 CarbonylContact O-C 3.57Å; S442-L445 PolarHBondContact O-N 2.92Å; S442-G446 PolarHBondContact O-N 3.46Å; S442-C447 CarbonylContact C-O 3.56Å; S442-C447 PolarHBondContact O-N 3.17Å; S442-C447 VanDerWaalsContact O-O 3.11Å; S442-Q449 WeakPolarHBondContact OG-CA 3.23Å; S442-Y452 WeakPolarHBondContact OG-CB 3.47Å
443	P	86.1	Confident	90.7	Very high	91 Å²	91	58.5 Å²	58.5	59%	0.591	33%	0.334	S	S	*	.	H	α-helix	trans	-66	-37.7	178.8	24.9	-33.7	0	0	0	112.6	S439 E440 L445 G446	S439-P443 WeakPolarHBondContact O-CD 3.5Å; S439-P443 WeakPolarHBondContact O-CG 3.03Å; E440-P443 WeakPolarHBondContact O-CD 3.38Å; E440-P443 WeakPolarHBondContact O-CG 3.45Å; P443-L445 VanDerWaalsContact C-N 3.31Å; P443-L445 PolarHBondContact O-N 3.28Å; P443-G446 PolarHBondContact O-N 3.41Å; P443-G446 VanDerWaalsContact O-N 3.14Å
444	V	89.7	Confident	90.7	Very high	126 Å²	126	61 Å²	61	76%	0.764	35%	0.348	S	S	*	.	H	α-helix	trans	-63.5	-39.8	176.8	175.9	0	0	0	0	111	E440 S441 S442 G446	E440-V444 WeakPolarHBondContact O-CG2 3.41Å; S441-V444 PolarHBondContact O-N 3.45Å; S442-V444 PolarHBondContact O-N 2.76Å; V444-G446 VanDerWaalsContact C-N 3.25Å; V444-G446 PolarHBondContact O-N 3.08Å
445	L	89.9	Confident	90.9	Very high	21 Å²	21	61 Å²	61	11%	0.11	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.6	178	-63	173.2	0	0	0	113.1	R130 V131 H134 S441 S442 P443 C447 Y452	R130-L445 HydrophobicContact CB-CD2 4.38Å; R130-L445 PolarHBondContact NE-O 3.23Å; R130-L445 PolarHBondContact NH1-O 3.26Å; R130-L445 PolarHBondContact NH2-O 3.29Å; R130-L445 VanDerWaalsContact NH2-O 3.13Å; V131-L445 HydrophobicContact CG2-CD1 4.25Å; H134-L445 HydrophobicContact CB-CD1 4Å; H134-L445 HydrophobicContact CB-CD2 4Å; S441-L445 WeakPolarHBondContact O-CB 3.35Å; S441-L445 VanDerWaalsContact O-CG 3.26Å; S441-L445 WeakPolarHBondContact O-CG 3.33Å; S441-L445 PolarHBondContact O-N 3.22Å; S442-L445 CarbonylContact O-C 3.57Å; S442-L445 PolarHBondContact O-N 2.92Å; P443-L445 VanDerWaalsContact C-N 3.31Å; P443-L445 PolarHBondContact O-N 3.28Å; L445-C447 VanDerWaalsContact C-N 3.32Å; L445-C447 PolarHBondContact O-N 3.39Å; L445-Y452 HydrophobicContact CD1-CD2 3.71Å; L445-Y452 HydrophobicContact CD1-CE2 3.66Å
446	G	90.8	Very high	91.2	Very high	47 Å²	47	56 Å²	56	49%	0.485	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	44.7	178.8	0	0	0	0	0	112.8	R130 S442 P443 V444	R130-G446 PolarHBondContact NH2-O 3.35Å; S442-G446 PolarHBondContact O-N 3.46Å; P443-G446 PolarHBondContact O-N 3.41Å; P443-G446 VanDerWaalsContact O-N 3.14Å; V444-G446 VanDerWaalsContact C-N 3.25Å; V444-G446 PolarHBondContact O-N 3.08Å
447	C	92.6	Very high	91.4	Very high	18 Å²	18	54.3 Å²	54.3	12%	0.122	32%	0.316	C	S	.	.	S	Bend	trans	-134.7	164.4	171.7	61.2	0	0	0	0	110.2	V127 S442 L445 E451	V127-C447 HydrophobicContact CG1-CB 3.77Å; V127-C447 HydrophobicContact CG2-CB 4.17Å; S442-C447 CarbonylContact C-O 3.56Å; S442-C447 PolarHBondContact O-N 3.17Å; S442-C447 VanDerWaalsContact O-O 3.11Å; L445-C447 VanDerWaalsContact C-N 3.32Å; L445-C447 PolarHBondContact O-N 3.39Å; C447-E451 HydrophobicContact CB-CB 4.12Å
448	S	94.1	Very high	91.7	Very high	55 Å²	55	52.6 Å²	52.6	39%	0.385	31%	0.308	S	S	.	.			trans	-72.8	159.7	170.9	67	0	0	0	0	111.4	T450 E451 Y452	S448-T450 VanDerWaalsContact C-N 3.26Å; S448-T450 PolarHBondContact O-N 2.86Å; S448-E451 WeakPolarHBondContact CB-OE2 3.42Å; S448-E451 PolarHBondContact N-OE2 3.42Å; S448-E451 PolarHBondContact O-N 2.92Å; S448-E451 WeakPolarHBondContact OG-CG 3.45Å; S448-E451 PolarHBondContact OG-N 3.31Å; S448-E451 PolarHBondContact OG-OE2 2.99Å; S448-Y452 PolarHBondContact O-N 3.38Å
449	Q	94.4	Very high	92.1	Very high	101 Å²	101	51.7 Å²	51.7	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-56.3	-41.6	177	-62.7	-175.1	-22.8	0	0	112	V438 S442 Y452 L453	V438-Q449 HydrophobicContact CG2-CB 3.67Å; V438-Q449 HydrophobicContact CG2-CG 3.86Å; S442-Q449 WeakPolarHBondContact OG-CA 3.23Å; Q449-Y452 PolarHBondContact O-N 2.68Å; Q449-L453 VanDerWaalsContact O-CG 3.31Å; Q449-L453 WeakPolarHBondContact O-CG 3.16Å; Q449-L453 PolarHBondContact O-N 3.49Å
450	T	93.4	Very high	92.7	Very high	96 Å²	96	47.9 Å²	47.9	59%	0.589	28%	0.276	S	S	*	.	H	α-helix	trans	-64	-45.3	177.7	-49	0	0	0	0	111.8	S448 Y452 L453 L454	S448-T450 VanDerWaalsContact C-N 3.26Å; S448-T450 PolarHBondContact O-N 2.86Å; T450-Y452 VanDerWaalsContact C-N 3.32Å; T450-Y452 PolarHBondContact O-N 3Å; T450-L453 PolarHBondContact O-N 2.88Å; T450-L454 HydrophobicContact CG2-CD1 4Å; T450-L454 HydrophobicContact CG2-CG 4.38Å; T450-L454 WeakPolarHBondContact O-CB 3.34Å; T450-L454 VanDerWaalsContact O-CG 3.26Å; T450-L454 WeakPolarHBondContact O-CG 3.48Å; T450-L454 PolarHBondContact O-N 3.44Å
451	E	95.1	Very high	93.1	Very high	60 Å²	60	45.2 Å²	45.2	28%	0.28	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-39.4	178.1	-67	170	121	0	0	111.7	L123 V127 C447 S448 A455	L123-E451 WeakPolarHBondContact CD1-O 3.33Å; L123-E451 HydrophobicContact CD2-CB 3.84Å; L123-E451 HydrophobicContact CD2-CG 3.6Å; V127-E451 HydrophobicContact CG1-CB 4.19Å; C447-E451 HydrophobicContact CB-CB 4.12Å; S448-E451 WeakPolarHBondContact CB-OE2 3.42Å; S448-E451 PolarHBondContact N-OE2 3.42Å; S448-E451 PolarHBondContact O-N 2.92Å; S448-E451 WeakPolarHBondContact OG-CG 3.45Å; S448-E451 PolarHBondContact OG-N 3.31Å; S448-E451 PolarHBondContact OG-OE2 2.99Å; E451-A455 WeakPolarHBondContact O-CB 3.29Å; E451-A455 PolarHBondContact O-N 3.48Å
452	Y	95.8	Very high	93.7	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-51.4	174.7	176.7	-105.1	0	0	0	111.8	V131 H134 S434 V438 S442 L445 S448 Q449 T450 L454 A455 A456	V131-Y452 HydrophobicContact CG1-CD2 4.02Å; V131-Y452 HydrophobicContact CG1-CE2 4.02Å; V131-Y452 HydrophobicContact CG2-CD2 3.92Å; H134-Y452 AromaticContact CD2-CE2 3.95Å; S434-Y452 WeakPolarHBondContact O-CE1 3.34Å; S434-Y452 PolarHBondContact OG-OH 3.36Å; V438-Y452 HydrophobicContact CB-CD1 4.44Å; V438-Y452 HydrophobicContact CG2-CD1 3.98Å; S442-Y452 WeakPolarHBondContact OG-CB 3.47Å; L445-Y452 HydrophobicContact CD1-CD2 3.71Å; L445-Y452 HydrophobicContact CD1-CE2 3.66Å; S448-Y452 PolarHBondContact O-N 3.38Å; Q449-Y452 PolarHBondContact O-N 2.68Å; T450-Y452 VanDerWaalsContact C-N 3.32Å; T450-Y452 PolarHBondContact O-N 3Å; Y452-L454 PolarHBondContact O-N 3.36Å; Y452-A455 PolarHBondContact O-N 3.33Å; Y452-A456 WeakPolarHBondContact O-CB 3.36Å; Y452-A456 PolarHBondContact O-N 2.89Å
453	L	95.1	Very high	94.4	Very high	62 Å²	62	44.5 Å²	44.5	33%	0.325	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-38.4	-178.5	-68.4	174.2	0	0	0	112.4	K435 V438 Q449 T450 A456 E457	K435-L453 HydrophobicContact CG-CD2 3.86Å; V438-L453 HydrophobicContact CG2-CD1 4.3Å; V438-L453 HydrophobicContact CG2-CD2 4.26Å; V438-L453 HydrophobicContact CG2-CG 4.08Å; Q449-L453 VanDerWaalsContact O-CG 3.31Å; Q449-L453 WeakPolarHBondContact O-CG 3.16Å; Q449-L453 PolarHBondContact O-N 3.49Å; T450-L453 PolarHBondContact O-N 2.88Å; L453-A456 PolarHBondContact O-N 3.34Å; L453-E457 WeakPolarHBondContact O-CB 3.32Å; L453-E457 PolarHBondContact O-N 3.18Å
454	L	95.1	Very high	95	Very high	95 Å²	95	40.2 Å²	40.2	50%	0.497	23%	0.227	S	C	.	.	H	α-helix	trans	-64.6	-43.8	175.4	-74.4	173.7	0	0	0	111.9	L123 T450 Y452 E457 A458	L123-L454 HydrophobicContact CD1-CB 3.97Å; L123-L454 HydrophobicContact CD2-CD1 4.42Å; T450-L454 HydrophobicContact CG2-CD1 4Å; T450-L454 HydrophobicContact CG2-CG 4.38Å; T450-L454 WeakPolarHBondContact O-CB 3.34Å; T450-L454 VanDerWaalsContact O-CG 3.26Å; T450-L454 WeakPolarHBondContact O-CG 3.48Å; T450-L454 PolarHBondContact O-N 3.44Å; Y452-L454 PolarHBondContact O-N 3.36Å; L454-E457 PolarHBondContact O-N 3.31Å; L454-A458 PolarHBondContact O-N 3.36Å
455	A	96.4	Very high	95.3	Very high	1 Å²	1	35 Å²	35	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-36.8	176.2	0	0	0	0	0	112.1	L123 V131 E451 Y452 A458 F459	L123-A455 HydrophobicContact CD1-CB 3.89Å; V131-A455 HydrophobicContact CB-CB 3.83Å; V131-A455 HydrophobicContact CG1-CB 3.69Å; V131-A455 HydrophobicContact CG2-CB 3.97Å; E451-A455 WeakPolarHBondContact O-CB 3.29Å; E451-A455 PolarHBondContact O-N 3.48Å; Y452-A455 PolarHBondContact O-N 3.33Å; A455-A458 PolarHBondContact O-N 3.01Å; A455-F459 PolarHBondContact O-N 2.95Å
456	A	96.3	Very high	95.6	Very high	4 Å²	4	34 Å²	34	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-42.3	174.6	0	0	0	0	0	112.3	L135 Y452 L453 A458 F459 C460	L135-A456 HydrophobicContact CD1-CB 3.88Å; Y452-A456 WeakPolarHBondContact O-CB 3.36Å; Y452-A456 PolarHBondContact O-N 2.89Å; L453-A456 PolarHBondContact O-N 3.34Å; A456-A458 VanDerWaalsContact C-N 3.35Å; A456-A458 PolarHBondContact O-N 2.93Å; A456-F459 WeakPolarHBondContact O-CB 3.45Å; A456-F459 PolarHBondContact O-N 3.35Å; A456-C460 PolarHBondContact O-N 2.92Å; A456-C460 PolarHBondContact O-SG 3.32Å
457	E	95.3	Very high	95.9	Very high	53 Å²	53	31.7 Å²	31.7	25%	0.248	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-40.4	175.3	179	55	-158.6	0	0	111.8	R431 L453 L454 F459 C460 R461	R431-E457 IonicContact CZ-OE2 2.89Å; R431-E457 IonicContact NE-OE1 2.88Å; R431-E457 IonicContact NE-OE2 3.21Å; R431-E457 PolarHBondContact NE-OE2 3.31Å; R431-E457 IonicContact NH2-OE1 2.89Å; R431-E457 IonicContact NH2-OE2 3.93Å; L453-E457 WeakPolarHBondContact O-CB 3.32Å; L453-E457 PolarHBondContact O-N 3.18Å; L454-E457 PolarHBondContact O-N 3.31Å; E457-F459 VanDerWaalsContact C-N 3.31Å; E457-F459 PolarHBondContact O-N 3.39Å; E457-C460 PolarHBondContact O-N 2.86Å; E457-R461 WeakPolarHBondContact O-CB 3.47Å; E457-R461 WeakPolarHBondContact O-CG 3.35Å; E457-R461 PolarHBondContact O-N 2.99Å; E457-R461 WeakPolarHBondContact OE1-CG 3.34Å; E457-R461 IonicContact OE1-CZ 3.17Å; E457-R461 IonicContact OE1-NE 2.67Å; E457-R461 PolarHBondContact OE1-NE 3.49Å; E457-R461 IonicContact OE1-NH2 2.72Å
458	A	96.3	Very high	96	Very high	10 Å²	10	31.7 Å²	31.7	8%	0.083	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-38.6	173.5	0	0	0	0	0	113	E117 C121 L454 A455 A456 S462	E117-A458 HydrophobicContact CB-CB 3.98Å; C121-A458 VanDerWaalsContact SG-CB 3.55Å; L454-A458 PolarHBondContact O-N 3.36Å; A455-A458 PolarHBondContact O-N 3.01Å; A456-A458 VanDerWaalsContact C-N 3.35Å; A456-A458 PolarHBondContact O-N 2.93Å; A458-S462 WeakPolarHBondContact O-CB 3.09Å; A458-S462 PolarHBondContact O-N 3.01Å; A458-S462 PolarHBondContact O-OG 3.37Å
459	F	97.8	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-45.8	174.1	-172.9	-83.7	0	0	0	111.5	F110 L114 L135 V430 A455 A456 E457 S462 L463 V558	F110-F459 HydrophobicContact CE1-CE2 4.5Å; F110-F459 HydrophobicContact CE1-CZ 4.32Å; F110-F459 HydrophobicContact CZ-CD2 4.35Å; F110-F459 HydrophobicContact CZ-CE1 4.07Å; F110-F459 AromaticContact CZ-CE2 3.84Å; F110-F459 HydrophobicContact CZ-CE2 3.84Å; F110-F459 AromaticContact CZ-CZ 3.68Å; F110-F459 HydrophobicContact CZ-CZ 3.68Å; L114-F459 HydrophobicContact CD2-CB 4.46Å; L114-F459 HydrophobicContact CD2-CD2 3.69Å; L114-F459 HydrophobicContact CD2-CE2 4.32Å; L114-F459 HydrophobicContact CD2-CG 4.29Å; L135-F459 HydrophobicContact CB-CD1 4.25Å; L135-F459 HydrophobicContact CB-CD2 4.19Å; L135-F459 HydrophobicContact CB-CE1 4.19Å; L135-F459 HydrophobicContact CB-CE2 4.12Å; L135-F459 HydrophobicContact CB-CG 4.25Å; L135-F459 HydrophobicContact CB-CZ 4.13Å; L135-F459 HydrophobicContact CD1-CB 3.69Å; L135-F459 HydrophobicContact CD1-CD1 4.17Å; L135-F459 HydrophobicContact CD1-CD2 4.24Å; L135-F459 HydrophobicContact CD1-CG 3.8Å; V430-F459 HydrophobicContact CG1-CD1 4.49Å; A455-F459 PolarHBondContact O-N 2.95Å; A456-F459 WeakPolarHBondContact O-CB 3.45Å; A456-F459 PolarHBondContact O-N 3.35Å; E457-F459 VanDerWaalsContact C-N 3.31Å; E457-F459 PolarHBondContact O-N 3.39Å; F459-S462 WeakPolarHBondContact O-CB 3.46Å; F459-S462 PolarHBondContact O-N 3.44Å; F459-S462 VanDerWaalsContact O-N 3.15Å; F459-L463 HydrophobicContact CD1-CD1 4.1Å; F459-L463 HydrophobicContact CE1-CD1 3.79Å; F459-L463 HydrophobicContact CE1-CG 4.31Å; F459-L463 PolarHBondContact O-N 3.24Å; F459-L463 VanDerWaalsContact O-N 3.11Å; F459-V558 HydrophobicContact CE2-CG2 3.79Å; F459-V558 HydrophobicContact CZ-CG2 4.24Å
460	C	96.9	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-43.9	178.4	-65.6	0	0	0	0	112.5	A427 V430 R431 A456 E457 S462 L463 E464	A427-C460 HydrophobicContact CB-CB 4.08Å; A427-C460 PolarHBondContact O-SG 3.38Å; A427-C460 VanDerWaalsContact O-SG 3.36Å; V430-C460 WeakPolarHBondContact CG1-SG 3.47Å; R431-C460 HydrophobicContact CG-CB 4.03Å; A456-C460 PolarHBondContact O-N 2.92Å; A456-C460 PolarHBondContact O-SG 3.32Å; E457-C460 PolarHBondContact O-N 2.86Å; C460-S462 PolarHBondContact O-N 2.76Å; C460-L463 WeakPolarHBondContact O-CB 3.46Å; C460-L463 PolarHBondContact O-N 3.3Å; C460-L463 VanDerWaalsContact O-N 3.12Å; C460-E464 WeakPolarHBondContact O-CG 3.43Å; C460-E464 PolarHBondContact O-N 3.18Å
461	R	96.4	Very high	96.1	Very high	93 Å²	93	22.7 Å²	22.7	35%	0.351	11%	0.112	S	C	.	.	H	α-helix	trans	-59.8	-34.5	172.2	-72.6	178.1	-177.9	-167	-3.6	112.3	E457 E464 S465	E457-R461 WeakPolarHBondContact O-CB 3.47Å; E457-R461 WeakPolarHBondContact O-CG 3.35Å; E457-R461 PolarHBondContact O-N 2.99Å; E457-R461 WeakPolarHBondContact OE1-CG 3.34Å; E457-R461 IonicContact OE1-CZ 3.17Å; E457-R461 IonicContact OE1-NE 2.67Å; E457-R461 PolarHBondContact OE1-NE 3.49Å; E457-R461 IonicContact OE1-NH2 2.72Å; R461-E464 PolarHBondContact O-N 2.99Å; R461-S465 VanDerWaalsContact O-CB 3.3Å; R461-S465 WeakPolarHBondContact O-CB 3.45Å; R461-S465 PolarHBondContact O-N 2.85Å
462	S	97.8	Very high	95.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-37.5	175.9	-63.1	0	0	0	0	112.3	S113 L114 A458 F459 C460 S465	S113-S462 PolarHBondContact O-OG 3.45Å; L114-S462 WeakPolarHBondContact CA-OG 3.38Å; L114-S462 PolarHBondContact N-OG 2.94Å; A458-S462 WeakPolarHBondContact O-CB 3.09Å; A458-S462 PolarHBondContact O-N 3.01Å; A458-S462 PolarHBondContact O-OG 3.37Å; F459-S462 WeakPolarHBondContact O-CB 3.46Å; F459-S462 PolarHBondContact O-N 3.44Å; F459-S462 VanDerWaalsContact O-N 3.15Å; C460-S462 PolarHBondContact O-N 2.76Å; S462-S465 WeakPolarHBondContact O-CB 3.14Å
463	L	97.9	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.8	-48	172.5	-74.7	170	0	0	0	111.5	F110 L426 A427 F459 C460 S465 V466 A467 L554	F110-L463 HydrophobicContact CD2-CD2 4.08Å; F110-L463 HydrophobicContact CD2-CG 4.37Å; F110-L463 HydrophobicContact CE1-CD2 4.18Å; F110-L463 HydrophobicContact CE2-CB 4.39Å; F110-L463 HydrophobicContact CE2-CD2 3.63Å; F110-L463 HydrophobicContact CE2-CG 3.62Å; F110-L463 HydrophobicContact CZ-CD2 3.69Å; F110-L463 HydrophobicContact CZ-CG 3.9Å; L426-L463 HydrophobicContact CB-CD1 3.81Å; A427-L463 HydrophobicContact CB-CB 4.18Å; A427-L463 HydrophobicContact CB-CD1 4.29Å; F459-L463 HydrophobicContact CD1-CD1 4.1Å; F459-L463 HydrophobicContact CE1-CD1 3.79Å; F459-L463 HydrophobicContact CE1-CG 4.31Å; F459-L463 PolarHBondContact O-N 3.24Å; F459-L463 VanDerWaalsContact O-N 3.11Å; C460-L463 WeakPolarHBondContact O-CB 3.46Å; C460-L463 PolarHBondContact O-N 3.3Å; C460-L463 VanDerWaalsContact O-N 3.12Å; L463-S465 VanDerWaalsContact C-N 3.25Å; L463-S465 PolarHBondContact O-N 3.45Å; L463-V466 WeakPolarHBondContact O-CA 3.26Å; L463-V466 VanDerWaalsContact O-CB 3.32Å; L463-V466 WeakPolarHBondContact O-CB 3.38Å; L463-V466 PolarHBondContact O-N 3.05Å; L463-A467 PolarHBondContact O-N 3.41Å; L463-L554 HydrophobicContact CD2-CD1 4.22Å
464	E	97.1	Very high	95	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-33.1	177.4	-69.3	177.5	167.1	0	0	112.4	A427 R431 C460 R461 V466 A467 T468 L521 Y525	A427-E464 HydrophobicContact CB-CG 3.92Å; R431-E464 IonicContact CZ-OE1 3.93Å; R431-E464 IonicContact CZ-OE2 2.59Å; R431-E464 IonicContact NH1-OE1 2.8Å; R431-E464 PolarHBondContact NH1-OE1 3.3Å; R431-E464 IonicContact NH2-OE1 3.52Å; R431-E464 PolarHBondContact NH2-OE1 3.09Å; R431-E464 IonicContact NH2-OE2 2.74Å; R431-E464 PolarHBondContact NH2-OE2 3.1Å; C460-E464 WeakPolarHBondContact O-CG 3.43Å; C460-E464 PolarHBondContact O-N 3.18Å; R461-E464 PolarHBondContact O-N 2.99Å; E464-V466 PolarHBondContact O-N 2.91Å; E464-A467 PolarHBondContact O-N 3.06Å; E464-A467 VanDerWaalsContact O-N 3.14Å; E464-T468 WeakPolarHBondContact O-CG2 3.33Å; E464-T468 PolarHBondContact O-N 3.25Å; E464-T468 PolarHBondContact O-OG1 2.97Å; E464-T468 VanDerWaalsContact O-OG1 3.04Å; E464-L521 HydrophobicContact CB-CD2 4.41Å; E464-L521 HydrophobicContact CG-CD2 3.96Å; E464-Y525 PolarHBondContact OE1-OH 2.87Å
465	S	96.3	Very high	94.6	Very high	16 Å²	16	25.6 Å²	25.6	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-28.1	171.6	177	0	0	0	0	112.1	S113 R461 S462 L463 T468 S469	S113-S465 PolarHBondContact OG-OG 3.39Å; S113-S465 VanDerWaalsContact OG-OG 3.08Å; R461-S465 VanDerWaalsContact O-CB 3.3Å; R461-S465 WeakPolarHBondContact O-CB 3.45Å; R461-S465 PolarHBondContact O-N 2.85Å; S462-S465 WeakPolarHBondContact O-CB 3.14Å; L463-S465 VanDerWaalsContact C-N 3.25Å; L463-S465 PolarHBondContact O-N 3.45Å; S465-T468 WeakPolarHBondContact CA-OG1 3.37Å; S465-T468 PolarHBondContact O-OG1 3.23Å; S465-T468 VanDerWaalsContact O-OG1 3.09Å; S465-S469 PolarHBondContact O-N 3.11Å; S465-S469 PolarHBondContact O-OG 3.47Å
466	V	97.4	Very high	94.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-77.7	-44.4	174.8	-175.5	0	0	0	0	110.8	Y49 F106 V109 F110 E423 L463 E464 T468 S469	Y49-V466 HydrophobicContact CE1-CG1 3.85Å; Y49-V466 HydrophobicContact CE2-CG1 4.39Å; F106-V466 HydrophobicContact CD2-CG1 3.68Å; F106-V466 HydrophobicContact CE2-CG1 4.3Å; V109-V466 HydrophobicContact CB-CG2 4.24Å; V109-V466 HydrophobicContact CG1-CG2 3.94Å; F110-V466 HydrophobicContact CB-CG2 3.81Å; F110-V466 HydrophobicContact CD2-CG2 4.38Å; F110-V466 HydrophobicContact CG-CG2 4.48Å; E423-V466 HydrophobicContact CG-CB 4.2Å; E423-V466 HydrophobicContact CG-CG1 4.28Å; L463-V466 WeakPolarHBondContact O-CA 3.26Å; L463-V466 VanDerWaalsContact O-CB 3.32Å; L463-V466 WeakPolarHBondContact O-CB 3.38Å; L463-V466 PolarHBondContact O-N 3.05Å; E464-V466 PolarHBondContact O-N 2.91Å; V466-T468 VanDerWaalsContact C-N 3.34Å; V466-T468 PolarHBondContact O-N 3.47Å; V466-S469 WeakPolarHBondContact O-CB 3.4Å; V466-S469 PolarHBondContact O-N 3.41Å
467	A	96.6	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-46.1	175.9	0	0	0	0	0	111.7	E423 T424 L463 E464 S469 L470 L521	E423-A467 HydrophobicContact CB-CB 4.17Å; T424-A467 HydrophobicContact CG2-CB 3.92Å; L463-A467 PolarHBondContact O-N 3.41Å; E464-A467 PolarHBondContact O-N 3.06Å; E464-A467 VanDerWaalsContact O-N 3.14Å; A467-S469 PolarHBondContact O-N 3.15Å; A467-S469 VanDerWaalsContact O-N 3.14Å; A467-L470 WeakPolarHBondContact O-CB 3.2Å; A467-L470 WeakPolarHBondContact O-CG 3.37Å; A467-L470 PolarHBondContact O-N 2.97Å; A467-L470 VanDerWaalsContact O-N 3.13Å; A467-L521 HydrophobicContact CB-CD1 3.96Å
468	T	95.4	Very high	94.1	Very high	17 Å²	17	24.7 Å²	24.7	10%	0.104	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-65.6	-13.3	175.1	58.2	0	0	0	0	114.2	E464 S465 V466 L470 E471 L521	E464-T468 WeakPolarHBondContact O-CG2 3.33Å; E464-T468 PolarHBondContact O-N 3.25Å; E464-T468 PolarHBondContact O-OG1 2.97Å; E464-T468 VanDerWaalsContact O-OG1 3.04Å; S465-T468 WeakPolarHBondContact CA-OG1 3.37Å; S465-T468 PolarHBondContact O-OG1 3.23Å; S465-T468 VanDerWaalsContact O-OG1 3.09Å; V466-T468 VanDerWaalsContact C-N 3.34Å; V466-T468 PolarHBondContact O-N 3.47Å; T468-L470 PolarHBondContact O-N 3.12Å; T468-E471 PolarHBondContact O-N 3.07Å; T468-L521 HydrophobicContact CG2-CB 3.66Å; T468-L521 HydrophobicContact CG2-CD1 3.75Å; T468-L521 HydrophobicContact CG2-CG 4.37Å
469	S	95.5	Very high	93.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-77.7	-4.3	174.6	-60.5	0	0	0	0	113.4	K46 S465 V466 A467 E471 H472	K46-S469 VanDerWaalsContact CD-OG 3.3Å; K46-S469 WeakPolarHBondContact CD-OG 3.5Å; K46-S469 VanDerWaalsContact CE-OG 3.26Å; K46-S469 WeakPolarHBondContact CE-OG 3.41Å; K46-S469 VanDerWaalsContact CG-OG 3.31Å; K46-S469 WeakPolarHBondContact CG-OG 3.45Å; S465-S469 PolarHBondContact O-N 3.11Å; S465-S469 PolarHBondContact O-OG 3.47Å; V466-S469 WeakPolarHBondContact O-CB 3.4Å; V466-S469 PolarHBondContact O-N 3.41Å; A467-S469 PolarHBondContact O-N 3.15Å; A467-S469 VanDerWaalsContact O-N 3.14Å; S469-E471 VanDerWaalsContact C-N 3.3Å; S469-H472 PolarHBondContact O-CE1 2.81Å; S469-H472 PolarHBondContact O-NE2 3.2Å
470	L	94.3	Very high	93.6	Very high	24 Å²	24	24.2 Å²	24.2	13%	0.126	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-77.1	-17.9	171.9	-68.7	170.7	0	0	0	112.8	Y49 T52 G419 A467 T468	Y49-L470 HydrophobicContact CD1-CD2 3.64Å; Y49-L470 HydrophobicContact CD1-CG 3.97Å; Y49-L470 HydrophobicContact CE1-CD2 3.54Å; Y49-L470 HydrophobicContact CE1-CG 3.78Å; T52-L470 PolarHBondContact OG1-O 3.31Å; G419-L470 VanDerWaalsContact C-CD1 3.44Å; A467-L470 WeakPolarHBondContact O-CB 3.2Å; A467-L470 WeakPolarHBondContact O-CG 3.37Å; A467-L470 PolarHBondContact O-N 2.97Å; A467-L470 VanDerWaalsContact O-N 3.13Å; T468-L470 PolarHBondContact O-N 3.12Å
471	E	92.4	Very high	93.3	Very high	39 Å²	39	26 Å²	26	18%	0.182	14%	0.141	C	C	.	.			trans	-94.3	129.5	178	-149.6	-52.9	133.3	0	0	109.4	T468 S469 D473 D474 G475	T468-E471 PolarHBondContact O-N 3.07Å; S469-E471 VanDerWaalsContact C-N 3.3Å; E471-D473 WeakPolarHBondContact OE1-CA 3.49Å; E471-D473 PolarHBondContact OE1-N 3.36Å; E471-D473 PolarHBondContact OE2-N 3.27Å; E471-D474 PolarHBondContact OE2-N 3.17Å; E471-D474 VanDerWaalsContact OE2-N 3.11Å; E471-G475 PolarHBondContact OE1-N 2.87Å; E471-G475 PolarHBondContact OE2-N 3.4Å
472	H	90.8	Very high	92.9	Very high	29 Å²	29	23.6 Å²	23.6	13%	0.134	14%	0.136	C	C	.	.			trans	-130.4	-1.3	174.1	-58.8	-73.4	0	0	0	115.2	K46 Y49 T52 R54 S469	K46-H472 PolarHBondContact O-CE1 3.06Å; K46-H472 VanDerWaalsContact O-CE1 3.23Å; Y49-H472 PolarHBondContact O-NE2 3.38Å; T52-H472 PolarHBondContact O-CD2 2.59Å; T52-H472 PolarHBondContact OG1-CD2 3.43Å; R54-H472 PolarHBondContact NH2-O 3.09Å; S469-H472 PolarHBondContact O-CE1 2.81Å; S469-H472 PolarHBondContact O-NE2 3.2Å
473	D	88.1	Confident	92.5	Very high	79 Å²	79	25 Å²	25	42%	0.422	14%	0.143	S	C	.	.	S	Bend	trans	-115.3	31.4	-170.5	-60.8	-48.3	0	0	0	111.9	R54 E471 G475	R54-D473 IonicContact CZ-OD1 3.83Å; R54-D473 IonicContact NH1-OD1 3.52Å; R54-D473 PolarHBondContact NH1-OD1 2.99Å; R54-D473 IonicContact NH2-OD1 2.68Å; R54-D473 PolarHBondContact NH2-OD1 3.45Å; E471-D473 WeakPolarHBondContact OE1-CA 3.49Å; E471-D473 PolarHBondContact OE1-N 3.36Å; E471-D473 PolarHBondContact OE2-N 3.27Å; D473-G475 PolarHBondContact O-N 3.05Å
474	D	84.8	Confident	92.3	Very high	150 Å²	150	25 Å²	25	80%	0.802	14%	0.143	S	C	*	.	S	Bend	trans	62.1	18.7	177.2	-59.3	-43.6	0	0	0	114.4	E471	E471-D474 PolarHBondContact OE2-N 3.17Å; E471-D474 VanDerWaalsContact OE2-N 3.11Å
475	G	87.3	Confident	92.2	Very high	21 Å²	21	25 Å²	25	22%	0.216	14%	0.143	C	C	.	.			trans	-71.3	175.4	168.8	0	0	0	0	0	113.6	E471 D473 L489	E471-G475 PolarHBondContact OE1-N 2.87Å; E471-G475 PolarHBondContact OE2-N 3.4Å; D473-G475 PolarHBondContact O-N 3.05Å; G475-L489 CarbonylContact C-O 3.57Å; G475-L489 WeakPolarHBondContact CA-O 3.45Å
476	A	89.6	Confident	92.1	Very high	26 Å²	26	24.3 Å²	24.3	22%	0.215	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	148.8	174.8	0	0	0	0	0	111.9	T488 L489 Y520	A476-T488 WeakPolarHBondContact O-CA 3.49Å; A476-L489 HydrophobicContact CB-CB 4.29Å; A476-L489 PolarHBondContact N-O 2.82Å; A476-L489 PolarHBondContact O-N 3.33Å; A476-Y520 HydrophobicContact CB-CD1 3.94Å; A476-Y520 HydrophobicContact CB-CE1 3.67Å
477	S	93.3	Very high	91.9	Very high	12 Å²	12	24.4 Å²	24.4	8%	0.084	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.1	170.9	-73.9	0	0	0	0	110.1	H486 W487 L521	S477-H486 WeakPolarHBondContact CB-NE2 3.21Å; S477-H486 PolarHBondContact OG-NE2 2.68Å; S477-H486 VanDerWaalsContact OG-NE2 3.16Å; S477-W487 CarbonylContact C-O 3.52Å; S477-W487 WeakPolarHBondContact CA-O 3.48Å; S477-L521 PolarHBondContact O-N 3.32Å
478	L	93.4	Very high	91.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	161.2	-177.8	-55.8	155.3	0	0	0	110.4	H486 W487 L489 S519 Y520	L478-H486 WeakPolarHBondContact O-CA 3.33Å; L478-H486 PolarHBondContact O-CD2 2.84Å; L478-W487 HydrophobicContact CB-CB 4.14Å; L478-W487 PolarHBondContact N-O 2.68Å; L478-W487 PolarHBondContact O-N 3.47Å; L478-L489 HydrophobicContact CD1-CB 4.01Å; L478-L489 HydrophobicContact CD1-CD2 4.37Å; L478-S519 CarbonylContact C-O 3.57Å; L478-S519 WeakPolarHBondContact CA-O 3.47Å; L478-Y520 HydrophobicContact CD2-CD1 3.58Å; L478-Y520 HydrophobicContact CD2-CD2 3.99Å; L478-Y520 HydrophobicContact CD2-CE1 3.69Å; L478-Y520 HydrophobicContact CD2-CE2 4.08Å; L478-Y520 HydrophobicContact CD2-CG 3.74Å
479	I	93.3	Very high	91.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.8	168.5	-172.1	175.7	0	0	0	109.1	T424 L481 A484 H485 W518 S519 L521 Y525 F528	T424-I479 HydrophobicContact CG2-CD1 4.36Å; I479-L481 HydrophobicContact CG2-CD2 4.4Å; I479-A484 HydrophobicContact CD1-CB 3.99Å; I479-A484 HydrophobicContact CG1-CB 4.4Å; I479-H485 WeakPolarHBondContact CA-O 3.48Å; I479-W518 CarbonylContact O-C 3.55Å; I479-W518 VanDerWaalsContact O-CA 3.31Å; I479-W518 WeakPolarHBondContact O-CA 3.49Å; I479-S519 PolarHBondContact N-O 3.36Å; I479-S519 PolarHBondContact O-N 3.3Å; I479-L521 HydrophobicContact CB-CD2 3.73Å; I479-L521 HydrophobicContact CB-CG 4.47Å; I479-L521 HydrophobicContact CG2-CD2 3.84Å; I479-Y525 WeakPolarHBondContact CD1-OH 3.43Å; I479-Y525 HydrophobicContact CG2-CD1 4.44Å; I479-Y525 HydrophobicContact CG2-CE1 4Å; I479-Y525 HydrophobicContact CG2-CE2 4.43Å; I479-F528 HydrophobicContact CD1-CZ 4.21Å
480	D	90.8	Very high	90.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138.1	167.3	73.1	95.8	0	0	0	111.2	T482 H483 A484 H485 W487 F528	D480-T482 PolarHBondContact O-N 2.92Å; D480-T482 VanDerWaalsContact O-N 3.16Å; D480-T482 PolarHBondContact OD1-N 3.19Å; D480-H483 WeakPolarHBondContact OD1-CA 3.36Å; D480-H483 IonicContact OD1-CD2 3.87Å; D480-H483 PolarHBondContact OD1-N 3.13Å; D480-A484 VanDerWaalsContact O-CA 3.23Å; D480-A484 WeakPolarHBondContact O-CA 3.49Å; D480-A484 PolarHBondContact O-N 3.43Å; D480-H485 PolarHBondContact N-O 2.92Å; D480-H485 WeakPolarHBondContact OD2-CA 3.3Å; D480-H485 WeakPolarHBondContact OD2-CB 3.32Å; D480-H485 PolarHBondContact OD2-N 3.29Å; D480-W487 PolarHBondContact OD2-NE1 3.13Å; D480-W487 VanDerWaalsContact OD2-NE1 3.09Å; D480-F528 WeakPolarHBondContact O-CZ 3.49Å
481	L	90.3	Very high	90	Very high	39 Å²	39	33.7 Å²	33.7	20%	0.204	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	21.1	-175.1	-54.8	-179.6	0	0	0	113.4	I479 K517 Y525 F528	I479-L481 HydrophobicContact CG2-CD2 4.4Å; L481-K517 HydrophobicContact CB-CB 4.37Å; L481-K517 HydrophobicContact CD1-CB 4.04Å; L481-K517 HydrophobicContact CG-CB 4.41Å; L481-K517 PolarHBondContact N-O 3.14Å; L481-Y525 HydrophobicContact CD2-CD2 3.66Å; L481-Y525 HydrophobicContact CD2-CE2 4.19Å; L481-Y525 HydrophobicContact CD2-CG 4.17Å; L481-F528 HydrophobicContact CB-CD1 4.15Å; L481-F528 HydrophobicContact CB-CE1 4.16Å; L481-F528 HydrophobicContact CD2-CD1 3.91Å; L481-F528 HydrophobicContact CD2-CE1 3.45Å; L481-F528 VanDerWaalsContact CD2-CE1 3.45Å; L481-F528 HydrophobicContact CD2-CZ 4.23Å; L481-F528 HydrophobicContact CG-CE1 4.41Å; L481-F528 VanDerWaalsContact O-CD2 3.29Å; L481-F528 WeakPolarHBondContact O-CD2 3.47Å; L481-F528 WeakPolarHBondContact O-CG 3.23Å
482	T	88.6	Confident	89.2	Confident	41 Å²	41	39 Å²	39	25%	0.252	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-57.1	178.9	-53.6	0	0	0	0	110.6	D480 E531	D480-T482 PolarHBondContact O-N 2.92Å; D480-T482 VanDerWaalsContact O-N 3.16Å; D480-T482 PolarHBondContact OD1-N 3.19Å; T482-E531 PolarHBondContact O-N 2.82Å
483	H	89.6	Confident	88.3	Confident	29 Å²	29	38.9 Å²	38.9	13%	0.134	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-6.3	-178.8	-56.5	-62.1	0	0	0	112.8	D480 H485 E531	D480-H483 WeakPolarHBondContact OD1-CA 3.36Å; D480-H483 IonicContact OD1-CD2 3.87Å; D480-H483 PolarHBondContact OD1-N 3.13Å; H483-H485 VanDerWaalsContact C-N 3.25Å; H483-H485 PolarHBondContact O-CD2 2.99Å; H483-H485 PolarHBondContact O-N 3.4Å; H483-E531 PolarHBondContact ND1-O 3.4Å
484	A	93.5	Very high	87.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.234	C	C	.	.			trans	60.1	30.6	-174.8	0	0	0	0	0	113.6	T424 H425 A428 I479 D480 F528 P530	T424-A484 CarbonylContact C-O 3.59Å; T424-A484 WeakPolarHBondContact CB-O 3.49Å; T424-A484 PolarHBondContact OG1-O 2.89Å; H425-A484 PolarHBondContact N-O 3.34Å; A428-A484 HydrophobicContact CB-CB 3.6Å; I479-A484 HydrophobicContact CD1-CB 3.99Å; I479-A484 HydrophobicContact CG1-CB 4.4Å; D480-A484 VanDerWaalsContact O-CA 3.23Å; D480-A484 WeakPolarHBondContact O-CA 3.49Å; D480-A484 PolarHBondContact O-N 3.43Å; A484-F528 HydrophobicContact CB-CE2 3.74Å; A484-F528 HydrophobicContact CB-CZ 3.7Å; A484-P530 HydrophobicContact CB-CB 4.03Å; A484-P530 HydrophobicContact CB-CG 3.92Å
485	H	94	Very high	86.8	Confident	3 Å²	3	34.8 Å²	34.8	1%	0.014	21%	0.212	C	C	.	.			trans	-79.7	150	175.5	-72.6	-150.8	0	0	0	111	C421 I479 D480 H483 W487 C505 C507 V510	C421-H485 HydrophobicContact CB-CB 4.45Å; I479-H485 WeakPolarHBondContact CA-O 3.48Å; D480-H485 PolarHBondContact N-O 2.92Å; D480-H485 WeakPolarHBondContact OD2-CA 3.3Å; D480-H485 WeakPolarHBondContact OD2-CB 3.32Å; D480-H485 PolarHBondContact OD2-N 3.29Å; H483-H485 VanDerWaalsContact C-N 3.25Å; H483-H485 PolarHBondContact O-CD2 2.99Å; H483-H485 PolarHBondContact O-N 3.4Å; H485-W487 PolarHBondContact O-NE1 3.46Å; H485-C505 HydrophobicContact CB-CB 3.83Å; H485-C505 PolarHBondContact ND1-SG 2.95Å; H485-C507 PolarHBondContact CE1-SG 2.74Å; H485-C507 PolarHBondContact ND1-SG 3.24Å; H485-V510 VanDerWaalsContact CE1-CG2 3.46Å; H485-V510 WeakPolarHBondContact CE1-CG2 3.49Å; H485-V510 VanDerWaalsContact ND1-CG2 3.29Å; H485-V510 WeakPolarHBondContact ND1-CG2 3.39Å
486	H	95.4	Very high	85.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	142	175.5	175.8	-117	0	0	0	110.9	G419 C421 T424 S477 L478 C505 G506	G419-H486 PolarHBondContact O-ND1 3.44Å; G419-H486 VanDerWaalsContact O-ND1 3.09Å; C421-H486 PolarHBondContact SG-N 2.83Å; C421-H486 VanDerWaalsContact SG-N 3.4Å; T424-H486 HydrophobicContact CG2-CB 3.88Å; T424-H486 PolarHBondContact OG1-N 2.91Å; S477-H486 WeakPolarHBondContact CB-NE2 3.21Å; S477-H486 PolarHBondContact OG-NE2 2.68Å; S477-H486 VanDerWaalsContact OG-NE2 3.16Å; L478-H486 WeakPolarHBondContact O-CA 3.33Å; L478-H486 PolarHBondContact O-CD2 2.84Å; H486-C505 WeakPolarHBondContact O-CB 3.5Å; H486-G506 PolarHBondContact O-N 3.08Å
487	W	93.8	Very high	84.5	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.1	177.6	-58.2	74.4	0	0	0	109.6	S477 L478 D480 H485 L498 A503 C505 V510 W518	S477-W487 CarbonylContact C-O 3.52Å; S477-W487 WeakPolarHBondContact CA-O 3.48Å; L478-W487 HydrophobicContact CB-CB 4.14Å; L478-W487 PolarHBondContact N-O 2.68Å; L478-W487 PolarHBondContact O-N 3.47Å; D480-W487 PolarHBondContact OD2-NE1 3.13Å; D480-W487 VanDerWaalsContact OD2-NE1 3.09Å; H485-W487 PolarHBondContact O-NE1 3.46Å; W487-L498 HydrophobicContact CD2-CD2 4.38Å; W487-L498 HydrophobicContact CE3-CD2 3.77Å; W487-L498 HydrophobicContact CZ3-CD2 4.12Å; W487-A503 HydrophobicContact CZ3-CB 4.37Å; W487-A503 WeakPolarHBondContact CZ3-O 3.1Å; W487-C505 HydrophobicContact CD2-CB 3.8Å; W487-C505 VanDerWaalsContact CE2-CB 3.47Å; W487-C505 HydrophobicContact CE3-CB 4.22Å; W487-C505 HydrophobicContact CG-CB 4.33Å; W487-C505 HydrophobicContact CH2-CB 4.06Å; W487-C505 HydrophobicContact CZ2-CB 3.62Å; W487-C505 HydrophobicContact CZ3-CB 4.36Å; W487-V510 HydrophobicContact CH2-CG1 4.22Å; W487-V510 WeakPolarHBondContact CH2-O 3.45Å; W487-V510 HydrophobicContact CZ2-CB 4.04Å; W487-V510 HydrophobicContact CZ2-CG1 3.67Å; W487-W518 AromaticContact CD1-NE1 3.99Å; W487-W518 AromaticContact CD2-NE1 3.89Å; W487-W518 AromaticContact CE2-NE1 3.68Å; W487-W518 AromaticContact NE1-NE1 3.77Å
488	T	90.1	Very high	83.2	Confident	73 Å²	73	44.3 Å²	44.3	45%	0.448	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.4	174.4	51.6	0	0	0	0	109.6	A476	A476-T488 WeakPolarHBondContact O-CA 3.49Å
489	L	86.8	Confident	81.9	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.037	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.8	175.4	-177	70.6	0	0	0	108.5	G475 A476 L478 A493 L498	G475-L489 CarbonylContact C-O 3.57Å; G475-L489 WeakPolarHBondContact CA-O 3.45Å; A476-L489 HydrophobicContact CB-CB 4.29Å; A476-L489 PolarHBondContact N-O 2.82Å; A476-L489 PolarHBondContact O-N 3.33Å; L478-L489 HydrophobicContact CD1-CB 4.01Å; L478-L489 HydrophobicContact CD1-CD2 4.37Å; L489-A493 HydrophobicContact CD1-CB 3.52Å; L489-A493 WeakPolarHBondContact CD2-O 3.48Å; L489-A493 HydrophobicContact CG-CB 4.07Å; L489-L498 HydrophobicContact CD1-CD1 3.7Å
490	P	84.1	Confident	80.3	Confident	84 Å²	84	54 Å²	54	55%	0.545	30%	0.295	S	S	.	.			trans	-58.4	154.1	174.6	-23.7	33.8	0	0	0	112.5	D492 A493	P490-D492 PolarHBondContact O-N 3.23Å; P490-D492 VanDerWaalsContact O-N 3.08Å; P490-A493 HydrophobicContact CB-CB 4.32Å; P490-A493 HydrophobicContact CG-CB 4.45Å; P490-A493 PolarHBondContact O-N 2.98Å
491	S	79.8	Confident	79.1	Confident	72 Å²	72	57.5 Å²	57.5	50%	0.503	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-32.2	-178.8	59.8	0	0	0	0	114.2
492	D	75.8	Confident	78.3	Confident	151 Å²	151	57.9 Å²	57.9	81%	0.807	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-0.7	-173.5	-58.8	-9.5	0	0	0	112.7	P490	P490-D492 PolarHBondContact O-N 3.23Å; P490-D492 VanDerWaalsContact O-N 3.08Å
493	A	73.1	Confident	78.1	Confident	26 Å²	26	57.1 Å²	57.1	22%	0.215	33%	0.331	C	S	.	.			trans	-105.4	143.1	-175.4	0	0	0	0	0	111.6	L489 P490 H497	L489-A493 HydrophobicContact CD1-CB 3.52Å; L489-A493 WeakPolarHBondContact CD2-O 3.48Å; L489-A493 HydrophobicContact CG-CB 4.07Å; P490-A493 HydrophobicContact CB-CB 4.32Å; P490-A493 HydrophobicContact CG-CB 4.45Å; P490-A493 PolarHBondContact O-N 2.98Å; A493-H497 HydrophobicContact CB-CB 4.3Å
494	T	73.9	Confident	78.1	Confident	69 Å²	69	59.6 Å²	59.6	42%	0.423	35%	0.345	S	S	.	.			trans	-98.8	165.7	169.2	64.6	0	0	0	0	110.6	E496 H497	T494-E496 PolarHBondContact O-N 2.79Å; T494-H497 PolarHBondContact N-ND1 2.73Å; T494-H497 WeakPolarHBondContact O-CB 3.3Å; T494-H497 PolarHBondContact O-N 3.25Å; T494-H497 PolarHBondContact OG1-CE1 2.96Å; T494-H497 PolarHBondContact OG1-ND1 3.43Å
495	E	67.3	Low	78.1	Confident	75 Å²	75	59.9 Å²	59.9	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-55.6	-33.8	176	-64.9	-177	168.9	0	0	112.7	H497 L498 E499 Y520	E495-H497 VanDerWaalsContact C-N 3.28Å; E495-H497 PolarHBondContact O-N 3.09Å; E495-L498 WeakPolarHBondContact O-CA 3.31Å; E495-L498 WeakPolarHBondContact O-CB 3.26Å; E495-L498 PolarHBondContact O-N 2.88Å; E495-E499 PolarHBondContact O-N 2.83Å; E495-Y520 WeakPolarHBondContact OE1-CE2 3.23Å
496	E	64.2	Low	77.9	Confident	146 Å²	146	60.9 Å²	60.9	68%	0.682	36%	0.358	S	S	*	.	H	α-helix	trans	-60.3	-36	175.7	-61.9	177.3	170.5	0	0	112.3	T494 L498 E499 D500	T494-E496 PolarHBondContact O-N 2.79Å; E496-L498 PolarHBondContact O-N 3.38Å; E496-E499 PolarHBondContact O-N 3Å; E496-D500 PolarHBondContact O-N 2.88Å; E496-D500 VanDerWaalsContact O-N 3.13Å
497	H	63.9	Low	77.8	Confident	102 Å²	102	60.9 Å²	60.9	47%	0.472	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-26.9	175.1	-65.1	91.2	0	0	0	112.2	A493 T494 E495 E499 A501	A493-H497 HydrophobicContact CB-CB 4.3Å; T494-H497 PolarHBondContact N-ND1 2.73Å; T494-H497 WeakPolarHBondContact O-CB 3.3Å; T494-H497 PolarHBondContact O-N 3.25Å; T494-H497 PolarHBondContact OG1-CE1 2.96Å; T494-H497 PolarHBondContact OG1-ND1 3.43Å; E495-H497 VanDerWaalsContact C-N 3.28Å; E495-H497 PolarHBondContact O-N 3.09Å; H497-E499 VanDerWaalsContact C-N 3.34Å; H497-A501 WeakPolarHBondContact O-CB 3.34Å; H497-A501 PolarHBondContact O-N 2.79Å
498	L	65.8	Low	77.7	Confident	10 Å²	10	61 Å²	61	5%	0.052	36%	0.359	C	S	.	.	H	α-helix	trans	-67.8	-39.4	178.1	-147.7	95.9	0	0	0	110.4	W487 L489 E495 E496 A503 S512 W518	W487-L498 HydrophobicContact CD2-CD2 4.38Å; W487-L498 HydrophobicContact CE3-CD2 3.77Å; W487-L498 HydrophobicContact CZ3-CD2 4.12Å; L489-L498 HydrophobicContact CD1-CD1 3.7Å; E495-L498 WeakPolarHBondContact O-CA 3.31Å; E495-L498 WeakPolarHBondContact O-CB 3.26Å; E495-L498 PolarHBondContact O-N 2.88Å; E496-L498 PolarHBondContact O-N 3.38Å; L498-A503 HydrophobicContact CD1-CB 4.18Å; L498-A503 HydrophobicContact CG-CB 3.86Å; L498-A503 PolarHBondContact O-N 3.05Å; L498-S512 WeakPolarHBondContact O-CB 3.39Å; L498-S512 PolarHBondContact O-OG 3.21Å; L498-W518 HydrophobicContact CD2-CD2 4.46Å; L498-W518 HydrophobicContact CD2-CZ2 3.93Å
499	E	65.8	Low	77.7	Confident	67 Å²	67	58 Å²	58	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-71.6	-43.2	177.8	-62.6	-170	169.3	0	0	112.2	E495 E496 H497 W518	E495-E499 PolarHBondContact O-N 2.83Å; E496-E499 PolarHBondContact O-N 3Å; H497-E499 VanDerWaalsContact C-N 3.34Å; E499-W518 HydrophobicContact CG-CH2 4.04Å; E499-W518 HydrophobicContact CG-CZ3 4.02Å; E499-W518 WeakPolarHBondContact OE1-CZ3 3.4Å
500	D	59.9	Low	77.7	Confident	137 Å²	137	57.9 Å²	57.9	73%	0.733	34%	0.34	S	S	*	.	H	α-helix	trans	-71.6	-30.6	-178.2	-75.2	-18.7	0	0	0	113.1	E496	E496-D500 PolarHBondContact O-N 2.88Å; E496-D500 VanDerWaalsContact O-N 3.13Å
501	A	65.1	Low	77.8	Confident	74 Å²	74	58.2 Å²	58.2	61%	0.612	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	1.7	-176.3	0	0	0	0	0	114.5	H497 A503	H497-A501 WeakPolarHBondContact O-CB 3.34Å; H497-A501 PolarHBondContact O-N 2.79Å; A501-A503 PolarHBondContact O-N 3.43Å; A501-A503 VanDerWaalsContact O-N 3.16Å
502	A	74.4	Confident	77.9	Confident	47 Å²	47	55.2 Å²	55.2	39%	0.388	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	38.7	-174.6	0	0	0	0	0	112	Q511	A502-Q511 HydrophobicContact CB-CG 4.46Å
503	A	83.9	Confident	77.7	Confident	25 Å²	25	50.7 Å²	50.7	21%	0.207	29%	0.293	C	S	.	.			trans	-58.9	155.9	-175.8	0	0	0	0	0	111.8	W487 L498 A501 Q511 S512	W487-A503 HydrophobicContact CZ3-CB 4.37Å; W487-A503 WeakPolarHBondContact CZ3-O 3.1Å; L498-A503 HydrophobicContact CD1-CB 4.18Å; L498-A503 HydrophobicContact CG-CB 3.86Å; L498-A503 PolarHBondContact O-N 3.05Å; A501-A503 PolarHBondContact O-N 3.43Å; A501-A503 VanDerWaalsContact O-N 3.16Å; A503-Q511 CarbonylContact O-C 3.48Å; A503-Q511 WeakPolarHBondContact O-CA 3.15Å; A503-S512 PolarHBondContact N-OG 3.01Å; A503-S512 PolarHBondContact O-N 3.24Å; A503-S512 PolarHBondContact O-OG 2.77Å
504	L	89.9	Confident	77.1	Confident	82 Å²	82	56.9 Å²	56.9	43%	0.429	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-110.5	148.2	177	-62.5	172.5	0	0	0	110.4	V510 Q511 L539	L504-V510 CarbonylContact C-O 3.22Å; L504-V510 WeakPolarHBondContact CA-O 3.43Å; L504-Q511 HydrophobicContact CD2-CB 3.87Å; L504-Q511 HydrophobicContact CD2-CG 4.14Å; L504-L539 HydrophobicContact CD2-CD1 3.81Å
505	C	92.4	Very high	76.7	Confident	5 Å²	5	61 Å²	61	3%	0.034	34%	0.337	C	S	.	.			trans	-61	167.1	167.8	66.9	0	0	0	0	111.1	H485 H486 W487 C507 G508 V510	H485-C505 HydrophobicContact CB-CB 3.83Å; H485-C505 PolarHBondContact ND1-SG 2.95Å; H486-C505 WeakPolarHBondContact O-CB 3.5Å; W487-C505 HydrophobicContact CD2-CB 3.8Å; W487-C505 VanDerWaalsContact CE2-CB 3.47Å; W487-C505 HydrophobicContact CE3-CB 4.22Å; W487-C505 HydrophobicContact CG-CB 4.33Å; W487-C505 HydrophobicContact CH2-CB 4.06Å; W487-C505 HydrophobicContact CZ2-CB 3.62Å; W487-C505 HydrophobicContact CZ3-CB 4.36Å; C505-C507 PolarHBondContact O-N 3.1Å; C505-C507 PolarHBondContact SG-SG 3.17Å; C505-G508 PolarHBondContact O-N 3.08Å; C505-V510 HydrophobicContact CB-CB 4.16Å; C505-V510 PolarHBondContact N-O 2.86Å; C505-V510 PolarHBondContact SG-N 2.98Å
506	G	91.4	Very high	76.9	Confident	25 Å²	25	59.2 Å²	59.2	26%	0.258	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.6	-176.7	0	0	0	0	0	114.9	H486 V543	H486-G506 PolarHBondContact O-N 3.08Å; G506-V543 WeakPolarHBondContact O-CG2 3.33Å
507	C	93.1	Very high	77.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.8	175.1	70.4	0	0	0	0	114.9	L417 G418 C421 H485 C505 V509 T542 V543	L417-C507 HydrophobicContact CB-CB 3.99Å; L417-C507 HydrophobicContact CD2-CB 4.27Å; G418-C507 WeakPolarHBondContact O-CB 3.46Å; C421-C507 HydrophobicContact CB-CB 4.27Å; C421-C507 VanDerWaalsContact SG-SG 3.65Å; H485-C507 PolarHBondContact CE1-SG 2.74Å; H485-C507 PolarHBondContact ND1-SG 3.24Å; C505-C507 PolarHBondContact O-N 3.1Å; C505-C507 PolarHBondContact SG-SG 3.17Å; C507-V509 VanDerWaalsContact C-N 3.35Å; C507-V509 PolarHBondContact O-N 3.19Å; C507-T542 PolarHBondContact O-N 3.21Å; C507-T542 PolarHBondContact O-OG1 2.69Å; C507-V543 PolarHBondContact O-N 3.41Å
508	G	91.8	Very high	78.9	Confident	3 Å²	3	56.3 Å²	56.3	3%	0.031	31%	0.311	C	S	.	.	S	Bend	trans	83.3	-4.4	177.9	0	0	0	0	0	116.4	C505	C505-G508 PolarHBondContact O-N 3.08Å
509	V	89.5	Confident	80.1	Confident	10 Å²	10	56.6 Å²	56.6	6%	0.061	31%	0.314	C	S	.	.	S	Bend	trans	-84.5	-28.8	-171.4	-174.9	0	0	0	0	113.4	L417 C507 L533 S537 P541	L417-V509 HydrophobicContact CD2-CG2 3.85Å; C507-V509 VanDerWaalsContact C-N 3.35Å; C507-V509 PolarHBondContact O-N 3.19Å; V509-L533 HydrophobicContact CB-CD1 4.19Å; V509-L533 HydrophobicContact CG1-CD1 3.49Å; V509-L533 VanDerWaalsContact CG1-CD1 3.49Å; V509-S537 PolarHBondContact O-OG 2.85Å; V509-P541 HydrophobicContact CG2-CB 3.62Å; V509-P541 HydrophobicContact CG2-CG 4.45Å
510	V	87.3	Confident	81.3	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.03	32%	0.316	C	S	.	.			trans	-111	126.7	-175.4	-176.3	0	0	0	0	109	H485 W487 L504 C505 K516 L533	H485-V510 VanDerWaalsContact CE1-CG2 3.46Å; H485-V510 WeakPolarHBondContact CE1-CG2 3.49Å; H485-V510 VanDerWaalsContact ND1-CG2 3.29Å; H485-V510 WeakPolarHBondContact ND1-CG2 3.39Å; W487-V510 HydrophobicContact CH2-CG1 4.22Å; W487-V510 WeakPolarHBondContact CH2-O 3.45Å; W487-V510 HydrophobicContact CZ2-CB 4.04Å; W487-V510 HydrophobicContact CZ2-CG1 3.67Å; L504-V510 CarbonylContact C-O 3.22Å; L504-V510 WeakPolarHBondContact CA-O 3.43Å; C505-V510 HydrophobicContact CB-CB 4.16Å; C505-V510 PolarHBondContact N-O 2.86Å; C505-V510 PolarHBondContact SG-N 2.98Å; V510-K516 HydrophobicContact CG1-CD 4.48Å; V510-L533 HydrophobicContact CG2-CD1 4.44Å; V510-L533 HydrophobicContact CG2-CD2 3.71Å
511	Q	86.7	Confident	82.7	Confident	91 Å²	91	51.8 Å²	51.8	43%	0.425	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-98.8	144.8	175.3	-170.7	179.6	-7.7	0	0	111	A502 A503 L504 K516 L539	A502-Q511 HydrophobicContact CB-CG 4.46Å; A503-Q511 CarbonylContact O-C 3.48Å; A503-Q511 WeakPolarHBondContact O-CA 3.15Å; L504-Q511 HydrophobicContact CD2-CB 3.87Å; L504-Q511 HydrophobicContact CD2-CG 4.14Å; Q511-K516 PolarHBondContact O-NZ 3.36Å; Q511-L539 HydrophobicContact CB-CD1 4.41Å
512	S	80.9	Confident	83.4	Confident	10 Å²	10	53 Å²	53	7%	0.07	28%	0.28	C	S	.	.			trans	-63.4	144.7	176.8	61.3	0	0	0	0	110.7	L498 A503	L498-S512 WeakPolarHBondContact O-CB 3.39Å; L498-S512 PolarHBondContact O-OG 3.21Å; A503-S512 PolarHBondContact N-OG 3.01Å; A503-S512 PolarHBondContact O-N 3.24Å; A503-S512 PolarHBondContact O-OG 2.77Å
513	C	71.6	Confident	83.8	Confident	55 Å²	55	53.8 Å²	53.8	37%	0.372	28%	0.281	S	S	.	.			trans	-154.8	151.6	175	64.8	0	0	0	0	110.4	N515 K516 W518	C513-N515 PolarHBondContact O-N 3.49Å; C513-K516 PolarHBondContact O-N 3.05Å; C513-K516 VanDerWaalsContact SG-CD 3.55Å; C513-K516 VanDerWaalsContact SG-CE 3.51Å; C513-K516 VanDerWaalsContact SG-CG 3.56Å; C513-W518 WeakPolarHBondContact O-CH2 3.37Å
514	Q	61.3	Low	83.7	Confident	156 Å²	156	61 Å²	61	73%	0.729	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-14.3	-173.6	-67.3	177.3	-11.8	0	0	116.2
515	N	65.1	Low	83.4	Confident	155 Å²	155	59 Å²	59	83%	0.829	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-1.4	-179.4	-74.6	-11.8	0	0	0	114	C513	C513-N515 PolarHBondContact O-N 3.49Å
516	K	70.4	Confident	82.8	Confident	38 Å²	38	62.3 Å²	62.3	17%	0.165	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-84.3	138.5	-179.6	-83.3	172.1	-172.9	169.1	0	110.5	V510 Q511 C513 W518	V510-K516 HydrophobicContact CG1-CD 4.48Å; Q511-K516 PolarHBondContact O-NZ 3.36Å; C513-K516 PolarHBondContact O-N 3.05Å; C513-K516 VanDerWaalsContact SG-CD 3.55Å; C513-K516 VanDerWaalsContact SG-CE 3.51Å; C513-K516 VanDerWaalsContact SG-CG 3.56Å; K516-W518 HydrophobicContact CB-CD2 4.45Å; K516-W518 HydrophobicContact CB-CE3 4.42Å; K516-W518 HydrophobicContact CB-CH2 3.66Å; K516-W518 HydrophobicContact CB-CZ2 3.67Å; K516-W518 HydrophobicContact CB-CZ3 4.04Å; K516-W518 HydrophobicContact CD-CZ2 4.3Å; K516-W518 VanDerWaalsContact O-CE3 3.28Å; K516-W518 WeakPolarHBondContact O-CZ3 3.43Å
517	K	83.1	Confident	82.2	Confident	157 Å²	157	64.4 Å²	64.4	68%	0.683	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-98.6	123.1	172.3	-65.6	-177.7	-179.8	178.4	0	108.3	L481	L481-K517 HydrophobicContact CB-CB 4.37Å; L481-K517 HydrophobicContact CD1-CB 4.04Å; L481-K517 HydrophobicContact CG-CB 4.41Å; L481-K517 PolarHBondContact N-O 3.14Å
518	W	87.6	Confident	82	Confident	30 Å²	30	65.8 Å²	65.8	11%	0.114	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	158.3	172.1	-65.4	-85.7	0	0	0	111	I479 W487 L498 E499 C513 K516	I479-W518 CarbonylContact O-C 3.55Å; I479-W518 VanDerWaalsContact O-CA 3.31Å; I479-W518 WeakPolarHBondContact O-CA 3.49Å; W487-W518 AromaticContact CD1-NE1 3.99Å; W487-W518 AromaticContact CD2-NE1 3.89Å; W487-W518 AromaticContact CE2-NE1 3.68Å; W487-W518 AromaticContact NE1-NE1 3.77Å; L498-W518 HydrophobicContact CD2-CD2 4.46Å; L498-W518 HydrophobicContact CD2-CZ2 3.93Å; E499-W518 HydrophobicContact CG-CH2 4.04Å; E499-W518 HydrophobicContact CG-CZ3 4.02Å; E499-W518 WeakPolarHBondContact OE1-CZ3 3.4Å; C513-W518 WeakPolarHBondContact O-CH2 3.37Å; K516-W518 HydrophobicContact CB-CD2 4.45Å; K516-W518 HydrophobicContact CB-CE3 4.42Å; K516-W518 HydrophobicContact CB-CH2 3.66Å; K516-W518 HydrophobicContact CB-CZ2 3.67Å; K516-W518 HydrophobicContact CB-CZ3 4.04Å; K516-W518 HydrophobicContact CD-CZ2 4.3Å; K516-W518 VanDerWaalsContact O-CE3 3.28Å; K516-W518 WeakPolarHBondContact O-CZ3 3.43Å
519	S	90.4	Very high	81.8	Confident	16 Å²	16	68.8 Å²	68.8	11%	0.112	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.9	166.8	-179.4	0	0	0	0	110.1	L478 I479 T523 Y525	L478-S519 CarbonylContact C-O 3.57Å; L478-S519 WeakPolarHBondContact CA-O 3.47Å; I479-S519 PolarHBondContact N-O 3.36Å; I479-S519 PolarHBondContact O-N 3.3Å; S519-T523 PolarHBondContact OG-OG1 3.46Å; S519-Y525 WeakPolarHBondContact OG-CB 3.46Å
520	Y	90.9	Very high	81.6	Confident	93 Å²	93	68.9 Å²	68.9	37%	0.365	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.5	172.7	-68.6	-91.5	0	0	0	110.3	A476 L478 E495 T523	A476-Y520 HydrophobicContact CB-CD1 3.94Å; A476-Y520 HydrophobicContact CB-CE1 3.67Å; L478-Y520 HydrophobicContact CD2-CD1 3.58Å; L478-Y520 HydrophobicContact CD2-CD2 3.99Å; L478-Y520 HydrophobicContact CD2-CE1 3.69Å; L478-Y520 HydrophobicContact CD2-CE2 4.08Å; L478-Y520 HydrophobicContact CD2-CG 3.74Å; E495-Y520 WeakPolarHBondContact OE1-CE2 3.23Å; Y520-T523 WeakPolarHBondContact O-CB 3.34Å; Y520-T523 PolarHBondContact O-N 3.43Å; Y520-T523 PolarHBondContact O-OG1 3.31Å
521	L	89.5	Confident	81.4	Confident	11 Å²	11	74.4 Å²	74.4	6%	0.058	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	148.2	169.9	-72.2	-171.8	0	0	0	110.5	T424 E464 A467 T468 S477 I479 T523	T424-L521 HydrophobicContact CG2-CD1 3.79Å; T424-L521 HydrophobicContact CG2-CD2 3.99Å; E464-L521 HydrophobicContact CB-CD2 4.41Å; E464-L521 HydrophobicContact CG-CD2 3.96Å; A467-L521 HydrophobicContact CB-CD1 3.96Å; T468-L521 HydrophobicContact CG2-CB 3.66Å; T468-L521 HydrophobicContact CG2-CD1 3.75Å; T468-L521 HydrophobicContact CG2-CG 4.37Å; S477-L521 PolarHBondContact O-N 3.32Å; I479-L521 HydrophobicContact CB-CD2 3.73Å; I479-L521 HydrophobicContact CB-CG 4.47Å; I479-L521 HydrophobicContact CG2-CD2 3.84Å; L521-T523 PolarHBondContact O-N 3.26Å
522	N	79.2	Confident	80.9	Confident	98 Å²	98	73.8 Å²	73.8	52%	0.524	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	13.1	-171	-46.8	-54.4	0	0	0	115.4
523	T	84.4	Confident	80.4	Confident	65 Å²	65	75.5 Å²	75.5	40%	0.399	39%	0.392	S	S	.	.	S	Bend	trans	-107	162	166.6	71	0	0	0	0	110.5	S519 Y520 L521 Y525	S519-T523 PolarHBondContact OG-OG1 3.46Å; Y520-T523 WeakPolarHBondContact O-CB 3.34Å; Y520-T523 PolarHBondContact O-N 3.43Å; Y520-T523 PolarHBondContact O-OG1 3.31Å; L521-T523 PolarHBondContact O-N 3.26Å; T523-Y525 WeakPolarHBondContact O-CD1 3.5Å
524	E	82.1	Confident	79.7	Confident	176 Å²	176	79.9 Å²	79.9	82%	0.822	41%	0.411	S	S	*	.			trans	-75.6	126.4	172.8	-68.2	-175	177.4	0	0	109.9
525	Y	83.6	Confident	79.1	Confident	41 Å²	41	80.1 Å²	80.1	16%	0.161	42%	0.423	C	S	.	.			trans	-134.7	157.8	176.1	57.2	-98.1	0	0	0	112.3	R431 E464 I479 L481 S519 T523 E527 F528	R431-Y525 PolarHBondContact NH1-OH 2.94Å; E464-Y525 PolarHBondContact OE1-OH 2.87Å; I479-Y525 WeakPolarHBondContact CD1-OH 3.43Å; I479-Y525 HydrophobicContact CG2-CD1 4.44Å; I479-Y525 HydrophobicContact CG2-CE1 4Å; I479-Y525 HydrophobicContact CG2-CE2 4.43Å; L481-Y525 HydrophobicContact CD2-CD2 3.66Å; L481-Y525 HydrophobicContact CD2-CE2 4.19Å; L481-Y525 HydrophobicContact CD2-CG 4.17Å; S519-Y525 WeakPolarHBondContact OG-CB 3.46Å; T523-Y525 WeakPolarHBondContact O-CD1 3.5Å; Y525-E527 PolarHBondContact O-N 2.6Å; Y525-F528 HydrophobicContact CD2-CE1 4.27Å; Y525-F528 AromaticContact CE2-CE1 3.9Å; Y525-F528 HydrophobicContact CE2-CE1 3.9Å
526	A	78.3	Confident	77.8	Confident	73 Å²	73	76.8 Å²	76.8	60%	0.603	42%	0.418	S	S	*	.			trans	-61.5	137.3	-179.5	0	0	0	0	0	110.2
527	E	80.1	Confident	76.9	Confident	70 Å²	70	77.2 Å²	77.2	33%	0.327	43%	0.426	S	S	.	.			trans	-66.3	146	175.4	175.7	-171.4	-176.3	0	0	111.4	H432 K435 Y525	H432-E527 WeakPolarHBondContact CA-OE1 3.29Å; H432-E527 HydrophobicContact CB-CG 4.43Å; H432-E527 IonicContact CD2-OE1 3.75Å; K435-E527 WeakPolarHBondContact CD-OE1 3.31Å; K435-E527 WeakPolarHBondContact CD-OE2 3.45Å; K435-E527 WeakPolarHBondContact CE-OE2 3.22Å; K435-E527 IonicContact NZ-OE2 2.7Å; K435-E527 PolarHBondContact NZ-OE2 3.12Å; Y525-E527 PolarHBondContact O-N 2.6Å
528	F	88.3	Confident	75.7	Confident	29 Å²	29	75.8 Å²	75.8	13%	0.127	43%	0.432	C	S	.	.			trans	-152.8	155.3	174.5	64	-79.1	0	0	0	109.6	A428 I479 D480 L481 A484 Y525 P530	A428-F528 HydrophobicContact CB-CE1 4.33Å; A428-F528 HydrophobicContact CB-CE2 4.31Å; A428-F528 HydrophobicContact CB-CZ 3.89Å; I479-F528 HydrophobicContact CD1-CZ 4.21Å; D480-F528 WeakPolarHBondContact O-CZ 3.49Å; L481-F528 HydrophobicContact CB-CD1 4.15Å; L481-F528 HydrophobicContact CB-CE1 4.16Å; L481-F528 HydrophobicContact CD2-CD1 3.91Å; L481-F528 HydrophobicContact CD2-CE1 3.45Å; L481-F528 VanDerWaalsContact CD2-CE1 3.45Å; L481-F528 HydrophobicContact CD2-CZ 4.23Å; L481-F528 HydrophobicContact CG-CE1 4.41Å; L481-F528 VanDerWaalsContact O-CD2 3.29Å; L481-F528 WeakPolarHBondContact O-CD2 3.47Å; L481-F528 WeakPolarHBondContact O-CG 3.23Å; A484-F528 HydrophobicContact CB-CE2 3.74Å; A484-F528 HydrophobicContact CB-CZ 3.7Å; Y525-F528 HydrophobicContact CD2-CE1 4.27Å; Y525-F528 AromaticContact CE2-CE1 3.9Å; Y525-F528 HydrophobicContact CE2-CE1 3.9Å; F528-P530 HydrophobicContact CE2-CG 4.32Å
529	S	87.3	Confident	75.1	Confident	66 Å²	66	77.5 Å²	77.5	46%	0.462	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-84.6	122.8	166.2	-177.5	0	0	0	0	108.1	E531	S529-E531 PolarHBondContact O-N 3.39Å
530	P	85.7	Confident	74.8	Confident	12 Å²	12	83 Å²	83	8%	0.078	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-59	121.9	174.8	-23.6	34.3	0	0	0	110.5	A428 A484 F528	A428-P530 HydrophobicContact CB-CG 3.67Å; A484-P530 HydrophobicContact CB-CB 4.03Å; A484-P530 HydrophobicContact CB-CG 3.92Å; F528-P530 HydrophobicContact CE2-CG 4.32Å
531	E	82.6	Confident	74.7	Confident	121 Å²	121	79.9 Å²	79.9	57%	0.565	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-77.6	128.7	175.9	-69.2	-175.3	-179.4	0	0	109.8	T482 H483 S529	T482-E531 PolarHBondContact O-N 2.82Å; H483-E531 PolarHBondContact ND1-O 3.4Å; S529-E531 PolarHBondContact O-N 3.39Å
532	P	77	Confident	74.9	Confident	78 Å²	78	83.2 Å²	83.2	51%	0.506	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-61.7	142.4	174.5	26.4	-32.3	0	0	0	109.5	L534	P532-L534 PolarHBondContact O-N 3.45Å; P532-L534 VanDerWaalsContact O-N 3.1Å
533	L	69.9	Low	75.6	Confident	46 Å²	46	80.4 Å²	80.4	24%	0.241	47%	0.466	C	S	.	.			trans	-65.2	115.9	173.4	-69.3	164.1	0	0	0	108.4	L417 V509 V510 T535	L417-L533 HydrophobicContact CD1-CD1 4.24Å; V509-L533 HydrophobicContact CB-CD1 4.19Å; V509-L533 HydrophobicContact CG1-CD1 3.49Å; V509-L533 VanDerWaalsContact CG1-CD1 3.49Å; V510-L533 HydrophobicContact CG2-CD1 4.44Å; V510-L533 HydrophobicContact CG2-CD2 3.71Å; L533-T535 PolarHBondContact O-N 3.18Å
534	L	57.4	Low	76.2	Confident	146 Å²	146	77.4 Å²	77.4	76%	0.764	45%	0.447	S	S	*	.			trans	-53.4	138.9	170.9	-66.7	169.7	0	0	0	108.2	P532 A536 S537	P532-L534 PolarHBondContact O-N 3.45Å; P532-L534 VanDerWaalsContact O-N 3.1Å; L534-A536 PolarHBondContact O-N 2.85Å; L534-S537 PolarHBondContact O-N 3.06Å
535	T	48.4	Very low	76.9	Confident	161 Å²	161	70.4 Å²	70.4	99%	0.988	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	5.4	179.8	37.6	0	0	0	0	115.4	L533	L533-T535 PolarHBondContact O-N 3.18Å
536	A	38.4	Very low	77.6	Confident	86 Å²	86	68.5 Å²	68.5	71%	0.711	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	14	-179.1	0	0	0	0	0	114	L534 P538	L534-A536 PolarHBondContact O-N 2.85Å; A536-P538 WeakPolarHBondContact O-CD 3.33Å
537	S	51.8	Low	78.5	Confident	47 Å²	47	65.2 Å²	65.2	33%	0.329	38%	0.38	S	S	.	.			trans	-63.3	122.7	165.9	-176.7	0	0	0	0	108.8	V509 L534 L539	V509-S537 PolarHBondContact O-OG 2.85Å; L534-S537 PolarHBondContact O-N 3.06Å; S537-L539 PolarHBondContact O-N 2.89Å
538	P	57.9	Low	79.3	Confident	127 Å²	127	63.3 Å²	63.3	83%	0.825	37%	0.374	S	S	*	.	S	Bend	trans	-69.4	-13.5	-179.1	28.3	-33.6	0	0	0	112.6	A536	A536-P538 WeakPolarHBondContact O-CD 3.33Å
539	L	75.1	Confident	79.7	Confident	65 Å²	65	62 Å²	62	34%	0.34	37%	0.368	S	S	.	.	S	Bend	trans	-99.7	125.1	-174	-67.2	168	0	0	0	110.9	L504 Q511 S537	L504-L539 HydrophobicContact CD2-CD1 3.81Å; Q511-L539 HydrophobicContact CB-CD1 4.41Å; S537-L539 PolarHBondContact O-N 2.89Å
540	Q	83	Confident	80.2	Confident	131 Å²	131	59 Å²	59	61%	0.612	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-77.6	147.8	170.8	-68.5	-169.6	-18.1	0	0	110.6	T542	Q540-T542 PolarHBondContact O-N 2.89Å
541	P	89.8	Confident	80.8	Confident	28 Å²	28	59.1 Å²	59.1	18%	0.182	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-59.1	136.5	175.6	24.3	-33	0	0	0	110.7	V152 T164 L417 V509 L544	V152-P541 HydrophobicContact CG1-CG 4.33Å; V152-P541 HydrophobicContact CG2-CG 4.46Å; T164-P541 VanDerWaalsContact CG2-O 3.29Å; T164-P541 WeakPolarHBondContact CG2-O 3.18Å; L417-P541 HydrophobicContact CD2-CB 3.87Å; V509-P541 HydrophobicContact CG2-CB 3.62Å; V509-P541 HydrophobicContact CG2-CG 4.45Å; P541-L544 HydrophobicContact CB-CD2 3.82Å; P541-L544 HydrophobicContact CB-CG 4.36Å; P541-L544 HydrophobicContact CG-CD2 3.87Å; P541-L544 HydrophobicContact CG-CG 4.42Å
542	T	92	Very high	81.5	Confident	81 Å²	81	54.8 Å²	54.8	50%	0.497	33%	0.328	S	S	.	.	S	Bend	trans	-98.4	-21.1	176.6	58.6	0	0	0	0	112.1	T164 C507 Q540	T164-T542 WeakPolarHBondContact CG2-O 3.24Å; C507-T542 PolarHBondContact O-N 3.21Å; C507-T542 PolarHBondContact O-OG1 2.69Å; Q540-T542 PolarHBondContact O-N 2.89Å
543	V	95.2	Very high	82.6	Confident	40 Å²	40	51.1 Å²	51.1	24%	0.242	30%	0.303	C	S	.	.			trans	-127.7	125	177.7	-167.9	0	0	0	0	110.1	S168 G418 G506 C507	S168-V543 WeakPolarHBondContact OG-CA 3.3Å; G418-V543 PolarHBondContact N-O 2.88Å; G506-V543 WeakPolarHBondContact O-CG2 3.33Å; C507-V543 PolarHBondContact O-N 3.41Å
544	L	96.6	Very high	83.9	Confident	2 Å²	2	49 Å²	49	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.5	179.1	-67.6	176.5	0	0	0	110.6	V152 L154 T164 L165 S168 A415 L416 L417 P541	V152-L544 HydrophobicContact CB-CD2 4.12Å; V152-L544 HydrophobicContact CG1-CD2 4.32Å; V152-L544 HydrophobicContact CG2-CD2 3.88Å; L154-L544 HydrophobicContact CD2-CD1 4.26Å; T164-L544 HydrophobicContact CG2-CB 4.45Å; T164-L544 HydrophobicContact CG2-CD1 3.76Å; T164-L544 HydrophobicContact CG2-CG 3.81Å; L165-L544 HydrophobicContact CB-CB 4.39Å; L165-L544 HydrophobicContact CB-CD1 4.46Å; L165-L544 HydrophobicContact CD1-CB 4.05Å; S168-L544 WeakPolarHBondContact CB-O 3.4Å; S168-L544 PolarHBondContact OG-N 2.55Å; S168-L544 PolarHBondContact OG-O 2.8Å; A415-L544 HydrophobicContact CB-CB 4.17Å; A415-L544 HydrophobicContact CB-CD1 4.22Å; A415-L544 HydrophobicContact CB-CD2 4.21Å; A415-L544 HydrophobicContact CB-CG 4.45Å; L416-L544 CarbonylContact O-C 3.49Å; L416-L544 VanDerWaalsContact O-CA 3.31Å; L416-L544 WeakPolarHBondContact O-CA 3.41Å; L417-L544 HydrophobicContact CD2-CD2 4.48Å; P541-L544 HydrophobicContact CB-CD2 3.82Å; P541-L544 HydrophobicContact CB-CG 4.36Å; P541-L544 HydrophobicContact CG-CD2 3.87Å; P541-L544 HydrophobicContact CG-CG 4.42Å
545	D	97.1	Very high	85.9	Confident	28 Å²	28	45.9 Å²	45.9	15%	0.15	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	150.7	171	-72.5	-22	0	0	0	110.7	A415 L416 F547 K550	A415-D545 WeakPolarHBondContact CA-O 3.4Å; A415-D545 WeakPolarHBondContact CB-O 3.43Å; L416-D545 HydrophobicContact CB-CB 4.44Å; L416-D545 PolarHBondContact N-O 3.16Å; L416-D545 PolarHBondContact O-N 2.72Å; D545-F547 PolarHBondContact O-N 2.88Å; D545-K550 WeakPolarHBondContact OD2-CE 3.29Å; D545-K550 IonicContact OD2-NZ 3.79Å; D545-K550 PolarHBondContact OD2-NZ 3.4Å
546	S	97.2	Very high	88.2	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	119	173.9	178.9	0	0	0	0	110.5	A549 K550	S546-A549 PolarHBondContact O-N 3.49Å; S546-A549 PolarHBondContact OG-N 3.09Å; S546-K550 VanDerWaalsContact O-CB 3.23Å; S546-K550 WeakPolarHBondContact O-CB 3.48Å; S546-K550 PolarHBondContact O-N 3.04Å
547	F	97.3	Very high	91.1	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-56.6	-57.3	177.2	178.6	-91.8	0	0	0	111.4	L143 K151 E412 C414 L416 D545 A549 K550 V551	L143-F547 HydrophobicContact CB-CE2 4.09Å; L143-F547 HydrophobicContact CB-CZ 4.46Å; L143-F547 VanDerWaalsContact O-CE2 3.26Å; L143-F547 WeakPolarHBondContact O-CE2 3.35Å; K151-F547 HydrophobicContact CD-CE2 4.45Å; E412-F547 HydrophobicContact CG-CD1 3.57Å; E412-F547 HydrophobicContact CG-CE1 3.78Å; C414-F547 VanDerWaalsContact O-CB 3.25Å; C414-F547 WeakPolarHBondContact O-CB 3.29Å; C414-F547 VanDerWaalsContact SG-CD1 3.51Å; C414-F547 WeakPolarHBondContact SG-CD2 3.38Å; C414-F547 WeakPolarHBondContact SG-CG 3.35Å; L416-F547 HydrophobicContact CD1-CD2 4.13Å; L416-F547 HydrophobicContact CD2-CD2 3.65Å; L416-F547 HydrophobicContact CD2-CE2 4.15Å; L416-F547 HydrophobicContact CG-CB 4.32Å; L416-F547 HydrophobicContact CG-CD2 3.78Å; L416-F547 HydrophobicContact CG-CG 4.5Å; D545-F547 PolarHBondContact O-N 2.88Å; F547-A549 VanDerWaalsContact C-N 3.34Å; F547-A549 PolarHBondContact O-N 3.14Å; F547-K550 PolarHBondContact O-N 3.43Å; F547-V551 HydrophobicContact CD1-CG2 4.23Å; F547-V551 HydrophobicContact CD2-CG2 4.37Å; F547-V551 HydrophobicContact CE1-CG2 3.97Å; F547-V551 HydrophobicContact CE2-CG2 4.09Å; F547-V551 HydrophobicContact CG-CG2 4.43Å; F547-V551 HydrophobicContact CZ-CG2 3.88Å; F547-V551 WeakPolarHBondContact O-CG2 3.39Å; F547-V551 PolarHBondContact O-N 2.73Å
548	T	97.1	Very high	93.4	Very high	30 Å²	30	33.1 Å²	33.1	18%	0.184	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-41.6	-176.7	-54.6	0	0	0	0	112.3	F100 L408 N552	F100-T548 HydrophobicContact CD1-CG2 4.11Å; F100-T548 HydrophobicContact CE1-CG2 3.82Å; L408-T548 HydrophobicContact CB-CG2 4.47Å; L408-T548 HydrophobicContact CD2-CG2 4.22Å; T548-N552 PolarHBondContact O-N 2.83Å
549	A	97.7	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.3	-44.4	177.3	0	0	0	0	0	111.3	H96 F100 D102 C103 L408 S546 F547 N552 A553	H96-A549 PolarHBondContact CE1-O 3.48Å; H96-A549 VanDerWaalsContact CE1-O 3.22Å; F100-A549 HydrophobicContact CB-CB 4.05Å; D102-A549 HydrophobicContact CB-CB 4.27Å; C103-A549 HydrophobicContact CB-CB 4.25Å; L408-A549 HydrophobicContact CD1-CB 4.19Å; S546-A549 PolarHBondContact O-N 3.49Å; S546-A549 PolarHBondContact OG-N 3.09Å; F547-A549 VanDerWaalsContact C-N 3.34Å; F547-A549 PolarHBondContact O-N 3.14Å; A549-N552 PolarHBondContact O-N 2.8Å; A549-A553 WeakPolarHBondContact O-CB 2.81Å; A549-A553 PolarHBondContact O-N 2.73Å
550	K	97.8	Very high	96.4	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.022	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-44.6	-178.9	-171.9	80.8	73.7	162.8	0	112.2	F106 L416 E423 D545 S546 F547 A553 L554	F106-K550 HydrophobicContact CD1-CD 3.93Å; F106-K550 HydrophobicContact CD2-CD 3.91Å; F106-K550 HydrophobicContact CE1-CD 3.91Å; F106-K550 HydrophobicContact CE2-CD 3.93Å; F106-K550 HydrophobicContact CG-CD 3.96Å; F106-K550 HydrophobicContact CZ-CD 3.93Å; L416-K550 HydrophobicContact CD1-CB 3.83Å; L416-K550 HydrophobicContact CD1-CG 3.86Å; E423-K550 IonicContact OE1-NZ 3.32Å; E423-K550 PolarHBondContact OE1-NZ 3.45Å; D545-K550 WeakPolarHBondContact OD2-CE 3.29Å; D545-K550 IonicContact OD2-NZ 3.79Å; D545-K550 PolarHBondContact OD2-NZ 3.4Å; S546-K550 VanDerWaalsContact O-CB 3.23Å; S546-K550 WeakPolarHBondContact O-CB 3.48Å; S546-K550 PolarHBondContact O-N 3.04Å; F547-K550 PolarHBondContact O-N 3.43Å; K550-A553 WeakPolarHBondContact O-CB 3.37Å; K550-A553 PolarHBondContact O-N 2.89Å; K550-L554 PolarHBondContact O-N 2.89Å
551	V	97.6	Very high	97.1	Very high	13 Å²	13	21.9 Å²	21.9	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-49.5	178.1	172.6	0	0	0	0	110.8	T140 L143 F547 A553 L554 E555	T140-V551 HydrophobicContact CG2-CG1 4.42Å; L143-V551 HydrophobicContact CD1-CG2 3.92Å; F547-V551 HydrophobicContact CD1-CG2 4.23Å; F547-V551 HydrophobicContact CD2-CG2 4.37Å; F547-V551 HydrophobicContact CE1-CG2 3.97Å; F547-V551 HydrophobicContact CE2-CG2 4.09Å; F547-V551 HydrophobicContact CG-CG2 4.43Å; F547-V551 HydrophobicContact CZ-CG2 3.88Å; F547-V551 WeakPolarHBondContact O-CG2 3.39Å; F547-V551 PolarHBondContact O-N 2.73Å; V551-A553 VanDerWaalsContact C-N 3.29Å; V551-A553 PolarHBondContact O-N 3.48Å; V551-L554 WeakPolarHBondContact O-CB 3.48Å; V551-L554 PolarHBondContact O-N 2.67Å; V551-E555 PolarHBondContact O-N 3.43Å; V551-E555 VanDerWaalsContact O-N 3.15Å
552	N	98.1	Very high	97.5	Very high	31 Å²	31	20.8 Å²	20.8	17%	0.166	11%	0.112	C	C	.	.	H	α-helix	trans	-66.6	-31.9	177.4	-177.9	85.9	0	0	0	112	H96 F100 T548 A549 L554 V556	H96-N552 PolarHBondContact CE1-ND2 3.35Å; H96-N552 PolarHBondContact ND1-ND2 2.74Å; F100-N552 HydrophobicContact CD1-CB 4.39Å; F100-N552 HydrophobicContact CD2-CB 4.38Å; F100-N552 WeakPolarHBondContact CD2-ND2 3.42Å; F100-N552 HydrophobicContact CE1-CB 3.94Å; F100-N552 HydrophobicContact CE2-CB 3.98Å; F100-N552 WeakPolarHBondContact CE2-ND2 3.35Å; F100-N552 HydrophobicContact CZ-CB 3.71Å; T548-N552 PolarHBondContact O-N 2.83Å; A549-N552 PolarHBondContact O-N 2.8Å; N552-L554 VanDerWaalsContact C-N 3.34Å; N552-V556 WeakPolarHBondContact O-CB 3.37Å; N552-V556 WeakPolarHBondContact O-CG2 3.16Å; N552-V556 PolarHBondContact O-N 2.7Å
553	A	98.4	Very high	97.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-37.6	175.2	0	0	0	0	0	112.1	H96 C103 F106 A107 A549 K550 V551 A557	H96-A553 VanDerWaalsContact CE1-CA 3.48Å; H96-A553 WeakPolarHBondContact CE1-CA 3.46Å; H96-A553 VanDerWaalsContact CE1-CB 3.43Å; H96-A553 WeakPolarHBondContact CE1-CB 3.31Å; H96-A553 PolarHBondContact CE1-N 3.16Å; C103-A553 HydrophobicContact CB-CB 3.65Å; F106-A553 HydrophobicContact CD1-CB 3.6Å; F106-A553 HydrophobicContact CE1-CB 3.91Å; A107-A553 HydrophobicContact CB-CB 4.09Å; A549-A553 WeakPolarHBondContact O-CB 2.81Å; A549-A553 PolarHBondContact O-N 2.73Å; K550-A553 WeakPolarHBondContact O-CB 3.37Å; K550-A553 PolarHBondContact O-N 2.89Å; V551-A553 VanDerWaalsContact C-N 3.29Å; V551-A553 PolarHBondContact O-N 3.48Å; A553-A557 VanDerWaalsContact O-CB 3.27Å; A553-A557 WeakPolarHBondContact O-CB 3.48Å; A553-A557 PolarHBondContact O-N 2.89Å
554	L	98.4	Very high	97.9	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-49.5	174.9	-174.2	76.3	0	0	0	110.5	F106 F110 L136 C139 T140 L463 K550 V551 N552 A557 V558	F106-L554 HydrophobicContact CE1-CB 4.37Å; F106-L554 HydrophobicContact CZ-CD1 4.11Å; F110-L554 HydrophobicContact CD1-CD1 3.99Å; F110-L554 HydrophobicContact CE1-CD1 3.42Å; F110-L554 VanDerWaalsContact CE1-CD1 3.42Å; F110-L554 HydrophobicContact CE1-CG 4.44Å; F110-L554 HydrophobicContact CZ-CD1 4.18Å; L136-L554 HydrophobicContact CD1-CB 4.48Å; L136-L554 HydrophobicContact CD1-CD2 3.86Å; L136-L554 HydrophobicContact CD1-CG 3.75Å; C139-L554 HydrophobicContact CB-CD2 3.72Å; T140-L554 HydrophobicContact CG2-CD2 4.29Å; L463-L554 HydrophobicContact CD2-CD1 4.22Å; K550-L554 PolarHBondContact O-N 2.89Å; V551-L554 WeakPolarHBondContact O-CB 3.48Å; V551-L554 PolarHBondContact O-N 2.67Å; N552-L554 VanDerWaalsContact C-N 3.34Å; L554-A557 PolarHBondContact O-N 2.92Å; L554-V558 WeakPolarHBondContact O-CG2 3.4Å; L554-V558 PolarHBondContact O-N 3.09Å; L554-V558 VanDerWaalsContact O-N 3.09Å
555	E	98.4	Very high	97.8	Very high	80 Å²	80	19.8 Å²	19.8	37%	0.374	10%	0.103	S	C	.	.	H	α-helix	trans	-59.3	-50.5	176.2	-68.6	175.8	176.9	0	0	111.8	L136 T140 V551 A557 V558 E559	L136-E555 HydrophobicContact CD1-CG 4.08Å; L136-E555 HydrophobicContact CD2-CG 4.37Å; T140-E555 HydrophobicContact CG2-CG 4.25Å; V551-E555 PolarHBondContact O-N 3.43Å; V551-E555 VanDerWaalsContact O-N 3.15Å; E555-A557 VanDerWaalsContact C-N 3.31Å; E555-A557 PolarHBondContact O-N 2.66Å; E555-V558 PolarHBondContact O-N 3.21Å; E555-E559 WeakPolarHBondContact O-CB 3.48Å; E555-E559 WeakPolarHBondContact O-CG 3.21Å; E555-E559 PolarHBondContact O-N 2.83Å
556	V	98.6	Very high	97.7	Very high	25 Å²	25	22.7 Å²	22.7	15%	0.152	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-44.1	179.5	167.1	0	0	0	0	111	H96 N552 T560	H96-V556 HydrophobicContact CB-CG1 4.25Å; H96-V556 HydrophobicContact CB-CG2 4.27Å; N552-V556 WeakPolarHBondContact O-CB 3.37Å; N552-V556 WeakPolarHBondContact O-CG2 3.16Å; N552-V556 PolarHBondContact O-N 2.7Å; V556-T560 WeakPolarHBondContact O-CB 3.32Å; V556-T560 PolarHBondContact O-N 3.17Å; V556-T560 PolarHBondContact O-OG1 2.84Å
557	A	98.7	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-47.4	-179.4	0	0	0	0	0	112.4	A107 F110 C111 A553 L554 E555 A561	A107-A557 HydrophobicContact CB-CB 4.47Å; A107-A557 WeakPolarHBondContact O-CB 3.35Å; F110-A557 HydrophobicContact CB-CB 4.13Å; F110-A557 HydrophobicContact CD1-CB 3.56Å; F110-A557 HydrophobicContact CE1-CB 4.41Å; F110-A557 HydrophobicContact CG-CB 4.25Å; C111-A557 HydrophobicContact CB-CB 4.04Å; A553-A557 VanDerWaalsContact O-CB 3.27Å; A553-A557 WeakPolarHBondContact O-CB 3.48Å; A553-A557 PolarHBondContact O-N 2.89Å; L554-A557 PolarHBondContact O-N 2.92Å; E555-A557 VanDerWaalsContact C-N 3.31Å; E555-A557 PolarHBondContact O-N 2.66Å; A557-A561 VanDerWaalsContact O-CB 3.3Å; A557-A561 WeakPolarHBondContact O-CB 3.21Å; A557-A561 PolarHBondContact O-N 2.84Å
558	V	98.8	Very high	97.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.3	-47.6	-178.6	174	0	0	0	0	111.4	F110 L114 N132 L136 F459 L554 E555 T560 A561 N562	F110-V558 HydrophobicContact CE1-CG2 3.65Å; F110-V558 HydrophobicContact CZ-CG2 4.23Å; L114-V558 HydrophobicContact CD1-CB 4.48Å; L114-V558 HydrophobicContact CD1-CG2 3.9Å; N132-V558 HydrophobicContact CB-CG1 4.02Å; L136-V558 HydrophobicContact CB-CB 4.41Å; L136-V558 HydrophobicContact CB-CG1 4.05Å; L136-V558 HydrophobicContact CB-CG2 4.36Å; L136-V558 HydrophobicContact CD1-CB 4.37Å; L136-V558 HydrophobicContact CD1-CG2 4.16Å; L136-V558 HydrophobicContact CD2-CB 4.05Å; L136-V558 HydrophobicContact CD2-CG1 4.05Å; F459-V558 HydrophobicContact CE2-CG2 3.79Å; F459-V558 HydrophobicContact CZ-CG2 4.24Å; L554-V558 WeakPolarHBondContact O-CG2 3.4Å; L554-V558 PolarHBondContact O-N 3.09Å; L554-V558 VanDerWaalsContact O-N 3.09Å; E555-V558 PolarHBondContact O-N 3.21Å; V558-T560 VanDerWaalsContact C-N 3.33Å; V558-T560 PolarHBondContact O-N 3.05Å; V558-A561 PolarHBondContact O-N 3.42Å; V558-N562 WeakPolarHBondContact O-CB 3.48Å; V558-N562 PolarHBondContact O-N 2.89Å; V558-N562 PolarHBondContact O-ND2 2.83Å
559	E	98.4	Very high	96.9	Very high	83 Å²	83	36.6 Å²	36.6	39%	0.388	17%	0.171	S	C	.	.	H	α-helix	trans	-65.8	-37.5	-179.7	-70.3	-59.5	148.1	0	0	111.6	L136 E555 N562 L563	L136-E559 HydrophobicContact CD2-CG 4.5Å; E555-E559 WeakPolarHBondContact O-CB 3.48Å; E555-E559 WeakPolarHBondContact O-CG 3.21Å; E555-E559 PolarHBondContact O-N 2.83Å; E559-N562 PolarHBondContact O-N 2.81Å; E559-L563 VanDerWaalsContact O-CB 3.31Å; E559-L563 WeakPolarHBondContact O-CB 3.38Å; E559-L563 PolarHBondContact O-N 3.38Å
560	T	98.6	Very high	96.5	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-44.6	175.2	-55.9	0	0	0	0	111.3	L88 I89 S92 V556 V558 N562 L563 V564	L88-T560 HydrophobicContact CD2-CG2 4.01Å; I89-T560 HydrophobicContact CB-CG2 4.42Å; I89-T560 HydrophobicContact CG1-CG2 4.06Å; S92-T560 WeakPolarHBondContact CB-OG1 3.21Å; S92-T560 PolarHBondContact OG-OG1 2.85Å; V556-T560 WeakPolarHBondContact O-CB 3.32Å; V556-T560 PolarHBondContact O-N 3.17Å; V556-T560 PolarHBondContact O-OG1 2.84Å; V558-T560 VanDerWaalsContact C-N 3.33Å; V558-T560 PolarHBondContact O-N 3.05Å; T560-N562 PolarHBondContact O-N 3.11Å; T560-L563 PolarHBondContact O-N 3.05Å; T560-V564 VanDerWaalsContact O-CG2 3.29Å; T560-V564 WeakPolarHBondContact O-CG2 3.46Å; T560-V564 PolarHBondContact O-N 3.28Å
561	A	98.4	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-46.4	176.3	0	0	0	0	0	111.2	L114 I115 A557 V558 L563 V564 L565	L114-A561 HydrophobicContact CB-CB 3.84Å; L114-A561 HydrophobicContact CD1-CB 4.05Å; I115-A561 HydrophobicContact CD1-CB 4.46Å; I115-A561 HydrophobicContact CG1-CB 3.98Å; A557-A561 VanDerWaalsContact O-CB 3.3Å; A557-A561 WeakPolarHBondContact O-CB 3.21Å; A557-A561 PolarHBondContact O-N 2.84Å; V558-A561 PolarHBondContact O-N 3.42Å; A561-L563 VanDerWaalsContact C-N 3.35Å; A561-L563 PolarHBondContact O-N 3.49Å; A561-V564 PolarHBondContact O-N 3.05Å; A561-L565 VanDerWaalsContact O-CG 3.29Å; A561-L565 WeakPolarHBondContact O-CG 3.33Å; A561-L565 PolarHBondContact O-N 3.08Å
562	N	98.2	Very high	95.4	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-41.9	177.7	-73	-18.7	0	0	0	112.3	I129 N132 V558 E559 T560 V564 L565 D566	I129-N562 HydrophobicContact CG1-CB 4.15Å; I129-N562 HydrophobicContact CG2-CB 4.07Å; N132-N562 WeakPolarHBondContact CB-OD1 3.11Å; N132-N562 PolarHBondContact ND2-OD1 2.58Å; V558-N562 WeakPolarHBondContact O-CB 3.48Å; V558-N562 PolarHBondContact O-N 2.89Å; V558-N562 PolarHBondContact O-ND2 2.83Å; E559-N562 PolarHBondContact O-N 2.81Å; T560-N562 PolarHBondContact O-N 3.11Å; N562-V564 VanDerWaalsContact C-N 3.33Å; N562-V564 PolarHBondContact O-N 2.9Å; N562-L565 PolarHBondContact O-N 3.02Å; N562-D566 WeakPolarHBondContact O-CB 3.22Å; N562-D566 PolarHBondContact O-N 2.9Å
563	L	97.3	Very high	94.6	Very high	94 Å²	94	48.6 Å²	48.6	49%	0.492	23%	0.232	S	C	.	.	H	α-helix	trans	-61.1	-43.1	175.4	-177.7	59.8	0	0	0	111.2	L88 E559 T560 A561 D566 V567	L88-L563 HydrophobicContact CD1-CD2 3.81Å; L88-L563 HydrophobicContact CD1-CG 4.23Å; L88-L563 HydrophobicContact CD2-CD2 4.14Å; L88-L563 HydrophobicContact CD2-CG 4.45Å; L88-L563 HydrophobicContact CG-CD2 4.33Å; E559-L563 VanDerWaalsContact O-CB 3.31Å; E559-L563 WeakPolarHBondContact O-CB 3.38Å; E559-L563 PolarHBondContact O-N 3.38Å; T560-L563 PolarHBondContact O-N 3.05Å; A561-L563 VanDerWaalsContact C-N 3.35Å; A561-L563 PolarHBondContact O-N 3.49Å; L563-D566 PolarHBondContact O-N 3.13Å; L563-V567 VanDerWaalsContact O-CG2 3.31Å; L563-V567 WeakPolarHBondContact O-CG2 3.12Å; L563-V567 PolarHBondContact O-N 3.16Å
564	V	96.8	Very high	93.6	Very high	1 Å²	1	52 Å²	52	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-42.6	176.4	171.5	0	0	0	0	111.7	L29 I85 L88 I89 I115 T560 A561 N562 D566 V567	L29-V564 HydrophobicContact CD1-CG1 4.06Å; L29-V564 HydrophobicContact CD2-CG1 3.88Å; L29-V564 HydrophobicContact CG-CG1 4.43Å; I85-V564 HydrophobicContact CG2-CG1 3.73Å; I85-V564 HydrophobicContact CG2-CG2 4.12Å; L88-V564 HydrophobicContact CD2-CG2 3.59Å; I89-V564 HydrophobicContact CD1-CG2 4.03Å; I89-V564 HydrophobicContact CG1-CG2 3.76Å; I115-V564 HydrophobicContact CD1-CB 4.01Å; I115-V564 HydrophobicContact CD1-CG1 3.82Å; I115-V564 HydrophobicContact CD1-CG2 4.28Å; I115-V564 HydrophobicContact CG1-CB 4.49Å; I115-V564 HydrophobicContact CG1-CG1 4.29Å; T560-V564 VanDerWaalsContact O-CG2 3.29Å; T560-V564 WeakPolarHBondContact O-CG2 3.46Å; T560-V564 PolarHBondContact O-N 3.28Å; A561-V564 PolarHBondContact O-N 3.05Å; N562-V564 VanDerWaalsContact C-N 3.33Å; N562-V564 PolarHBondContact O-N 2.9Å; V564-D566 VanDerWaalsContact C-N 3.26Å; V564-D566 PolarHBondContact O-N 3.26Å; V564-V567 PolarHBondContact O-N 3.46Å
565	L	95.6	Very high	92.3	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-30.7	177.5	-69.8	172.5	0	0	0	112.7	L29 A118 K125 I128 I129 A561 N562	L29-L565 HydrophobicContact CD1-CD2 4.07Å; A118-L565 HydrophobicContact CB-CD1 3.92Å; A118-L565 HydrophobicContact CB-CD2 3.71Å; A118-L565 HydrophobicContact CB-CG 4.48Å; K125-L565 VanDerWaalsContact CD-O 3.3Å; K125-L565 WeakPolarHBondContact CD-O 3.4Å; I128-L565 HydrophobicContact CG2-CD1 4.03Å; I129-L565 HydrophobicContact CD1-CB 3.98Å; I129-L565 HydrophobicContact CG1-CB 4.06Å; I129-L565 HydrophobicContact CG1-CD1 4.36Å; A561-L565 VanDerWaalsContact O-CG 3.29Å; A561-L565 WeakPolarHBondContact O-CG 3.33Å; A561-L565 PolarHBondContact O-N 3.08Å; N562-L565 PolarHBondContact O-N 3.02Å
566	D	95	Very high	92	Very high	89 Å²	89	56.2 Å²	56.2	48%	0.476	28%	0.276	S	S	.	.	H	α-helix	trans	-81.3	-13.4	178.4	-161.1	35.3	0	0	0	113.4	I129 N562 L563 V564 R568	I129-D566 HydrophobicContact CD1-CB 3.96Å; N562-D566 WeakPolarHBondContact O-CB 3.22Å; N562-D566 PolarHBondContact O-N 2.9Å; L563-D566 PolarHBondContact O-N 3.13Å; V564-D566 VanDerWaalsContact C-N 3.26Å; V564-D566 PolarHBondContact O-N 3.26Å; D566-R568 PolarHBondContact O-N 3.32Å
567	V	93.6	Very high	91.7	Very high	32 Å²	32	57.8 Å²	57.8	19%	0.194	28%	0.283	C	S	.	.			trans	-64.7	109.9	178	-177.6	0	0	0	0	110.6	P28 L563 V564 V570	P28-V567 HydrophobicContact CG-CB 4.41Å; P28-V567 HydrophobicContact CG-CG1 3.84Å; L563-V567 VanDerWaalsContact O-CG2 3.31Å; L563-V567 WeakPolarHBondContact O-CG2 3.12Å; L563-V567 PolarHBondContact O-N 3.16Å; V564-V567 PolarHBondContact O-N 3.46Å; V567-V570 HydrophobicContact CG1-CG2 4Å
568	R	89.9	Confident	91.3	Very high	144 Å²	144	61.1 Å²	61.1	54%	0.543	30%	0.298	S	S	.	.			trans	-92.1	-31.7	174.9	-64.7	-169.9	-177.8	-162.1	-0.7	114.2	D26 L27 D566	D26-R568 CarbonylContact C-O 3.59Å; L27-R568 PolarHBondContact N-O 3.06Å; D566-R568 PolarHBondContact O-N 3.32Å
569	Y	90.6	Very high	90.9	Very high	152 Å²	152	64.6 Å²	64.6	60%	0.596	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.1	-175.4	-58.6	-76.9	0	0	0	110.7	T25 D26	T25-Y569 CarbonylContact O-C 3.56Å; T25-Y569 WeakPolarHBondContact O-CA 3.46Å; D26-Y569 HydrophobicContact CB-CD1 4.04Å; D26-Y569 HydrophobicContact CB-CE1 3.91Å
570	V	88.9	Confident	90.4	Very high	12 Å²	12	63.5 Å²	63.5	7%	0.073	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120	169.5	175.5	0	0	0	0	108	C24 T25 P28 P84 V567	C24-V570 CarbonylContact C-O 3.56Å; C24-V570 WeakPolarHBondContact CA-O 3.48Å; T25-V570 PolarHBondContact N-O 2.97Å; T25-V570 PolarHBondContact O-N 3.2Å; P28-V570 HydrophobicContact CB-CG2 3.87Å; P28-V570 HydrophobicContact CG-CG2 3.81Å; P84-V570 HydrophobicContact CB-CG1 4.18Å; P84-V570 HydrophobicContact CG-CG1 3.66Å; V567-V570 HydrophobicContact CG1-CG2 4Å
571	I	87.9	Confident	89.8	Confident	125 Å²	125	67.4 Å²	67.4	64%	0.641	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.4	177.9	-56	172.2	0	0	0	107.7	V23	V23-I571 CarbonylContact O-C 3.52Å; V23-I571 WeakPolarHBondContact O-CA 3.19Å
572	Q	83.9	Confident	89.2	Confident	79 Å²	79	72.2 Å²	72.2	37%	0.369	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.6	-179	-173.7	171.4	0.2	0	0	110.5	S22 V23 V574	S22-Q572 CarbonylContact C-O 3.46Å; S22-Q572 VanDerWaalsContact CA-O 3.26Å; S22-Q572 WeakPolarHBondContact CA-O 3.47Å; S22-Q572 WeakPolarHBondContact CB-O 3.27Å; V23-Q572 PolarHBondContact N-O 3.1Å; V23-Q572 PolarHBondContact O-N 2.78Å; Q572-V574 HydrophobicContact CG-CG1 4.45Å
573	D	82.3	Confident	88.5	Confident	85 Å²	85	77.5 Å²	77.5	46%	0.455	38%	0.379	S	S	.	.			trans	-74.9	124.8	164.7	-162.5	-5.4	0	0	0	108.5	N575	D573-N575 WeakPolarHBondContact OD1-CB 3.34Å; D573-N575 PolarHBondContact OD1-N 3.34Å; D573-N575 PolarHBondContact OD1-ND2 3Å
574	V	77.4	Confident	87.8	Confident	71 Å²	71	76.1 Å²	76.1	43%	0.43	37%	0.37	S	S	.	.			trans	-103.4	11.4	-176.5	-67.7	0	0	0	0	112.1	P21 V23 Q572	P21-V574 WeakPolarHBondContact O-CG2 3.37Å; V23-V574 HydrophobicContact CB-CG1 4.37Å; V23-V574 HydrophobicContact CG2-CG1 3.68Å; V23-V574 HydrophobicContact CG2-CG2 4.44Å; Q572-V574 HydrophobicContact CG-CG1 4.45Å
575	N	71.9	Confident	87	Confident	115 Å²	115	82.9 Å²	82.9	62%	0.615	40%	0.403	S	S	*	.			trans	-93.7	0	-178.6	-64.7	-62.3	0	0	0	114.4	K19 S20 D573	K19-N575 WeakPolarHBondContact CA-OD1 3.42Å; K19-N575 WeakPolarHBondContact CB-ND2 3.47Å; K19-N575 HydrophobicContact CG-CB 4.34Å; S20-N575 PolarHBondContact N-OD1 3.5Å; S20-N575 PolarHBondContact O-ND2 3.39Å; D573-N575 WeakPolarHBondContact OD1-CB 3.34Å; D573-N575 PolarHBondContact OD1-N 3.34Å; D573-N575 PolarHBondContact OD1-ND2 3Å

Retrieved 575 of 575 residues in 223.7 ms (Link to these results)

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