A0A087XW33_POEFO Loading...

Acyl-CoA thioesterase 9, tandem duplicate 1

AlphaFold DB , UniProt , Accession A0A087XW33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 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	33.8	Very low	31.7	Very low	234 Å²	234	165.7 Å²	165.7	100%	1.153	84%	0.836	S	S	*	*				0	94.1	0	-67.8	-175.9	172.5	0	0	107
2	L	31.4	Very low	31.6	Very low	167 Å²	167	160.6 Å²	160.6	87%	0.874	84%	0.838	S	S	*	*				63	101.1	109.3	-78.5	157.5	0	0	0	112.4
3	S	30.7	Very low	31.6	Very low	91 Å²	91	155.2 Å²	155.2	64%	0.636	83%	0.831	S	S	*	*				97.1	138	95.3	175.7	0	0	0	0	110.4
4	Q	34.5	Very low	31.5	Very low	138 Å²	138	152 Å²	152	65%	0.645	83%	0.827	S	S	*	*			cis	-172.1	153.1	10	-116.6	174.5	9	0	0	109
5	R	32.4	Very low	31.8	Very low	188 Å²	188	153.3 Å²	153.3	71%	0.709	83%	0.832	S	S	*	*			trans	65.5	138	143	-60.6	170.4	179	-166	-0	118.3
6	F	31.8	Very low	31.7	Very low	187 Å²	187	151.5 Å²	151.5	82%	0.82	83%	0.828	S	S	*	*			cis	-155.3	140	46	-100.4	-90.7	0	0	0	111.8
7	L	33.3	Very low	31.5	Very low	164 Å²	164	150.3 Å²	150.3	86%	0.859	83%	0.831	S	S	*	*			trans	-92.6	129.6	164.3	-85.5	147.1	0	0	0	108.5
8	S	30.3	Very low	31.4	Very low	123 Å²	123	155.1 Å²	155.1	86%	0.86	83%	0.834	S	S	*	*			trans	-100.4	102.2	169.7	60.7	0	0	0	0	110.6
9	L	31.5	Very low	31.3	Very low	164 Å²	164	151.9 Å²	151.9	86%	0.859	83%	0.826	S	S	*	*			trans	-85	120	164.6	-87.4	141.1	0	0	0	108.9	R11	L9-R11 PolarHBondContact O-N 3.17Å
10	S	29.8	Very low	31.5	Very low	124 Å²	124	152.9 Å²	152.9	87%	0.867	83%	0.829	S	S	*	*			trans	-77.9	112.2	169.5	53.9	0	0	0	0	110.1
11	R	29.2	Very low	31.3	Very low	243 Å²	243	150.7 Å²	150.7	92%	0.917	82%	0.824	S	S	*	*			trans	-85.2	117.1	161.9	-87.3	177.1	167.2	178.2	-3.6	108.1	L9	L9-R11 PolarHBondContact O-N 3.17Å
12	A	31.2	Very low	31.5	Very low	104 Å²	104	145.4 Å²	145.4	86%	0.86	81%	0.81	S	S	*	*			trans	-107.3	97.3	158.6	0	0	0	0	0	107.6
13	A	30.6	Very low	31.5	Very low	90 Å²	90	141.3 Å²	141.3	74%	0.744	80%	0.801	S	S	*	*			trans	-93.9	106	167.7	0	0	0	0	0	107.5	L15	A13-L15 PolarHBondContact O-N 3.38Å
14	S	30.3	Very low	31.7	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	81%	0.807	S	S	*	*			trans	-87.1	102.1	167.4	50.9	0	0	0	0	108.9	T16	S14-T16 PolarHBondContact O-N 2.95Å
15	L	36.1	Very low	32	Very low	172 Å²	172	139.9 Å²	139.9	90%	0.901	82%	0.817	S	S	*	*			trans	-64.5	108.4	162	-79.1	146.8	0	0	0	108.3	A13	A13-L15 PolarHBondContact O-N 3.38Å
16	T	31	Very low	32.6	Very low	124 Å²	124	134 Å²	134	76%	0.761	81%	0.805	S	S	*	*			trans	-118.7	122.5	156.1	39.6	0	0	0	0	108.5	S14 R18	S14-T16 PolarHBondContact O-N 2.95Å; T16-R18 PolarHBondContact O-N 3.04Å
17	C	27.9	Very low	33.8	Very low	131 Å²	131	134 Å²	134	89%	0.885	80%	0.8	S	S	*	*			trans	-56.6	117.3	-174.2	-145.9	0	0	0	0	109.7	S19	C17-S19 PolarHBondContact O-N 3.12Å
18	R	30	Very low	35.4	Very low	236 Å²	236	132.1 Å²	132.1	89%	0.891	79%	0.787	S	S	*	*			trans	-69.4	101.9	165.5	-80.2	-175	176.6	-173.7	-1.3	107.3	T16 L20	T16-R18 PolarHBondContact O-N 3.04Å; R18-L20 PolarHBondContact O-N 3.3Å; R18-L20 VanDerWaalsContact O-N 3.13Å
19	S	28.7	Very low	37.5	Very low	96 Å²	96	126.7 Å²	126.7	67%	0.671	75%	0.75	S	S	*	*			trans	-60.3	112.9	160.7	57	0	0	0	0	107.8	C17 C21	C17-S19 PolarHBondContact O-N 3.12Å; S19-C21 PolarHBondContact O-N 3.13Å
20	L	35.2	Very low	40.1	Very low	170 Å²	170	122 Å²	122	89%	0.89	72%	0.723	S	S	*	*			trans	-66	83.8	164.4	-82.2	153.6	0	0	0	108.1	R18 S22	R18-L20 PolarHBondContact O-N 3.3Å; R18-L20 VanDerWaalsContact O-N 3.13Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 2.98Å
21	C	27.8	Very low	42.7	Very low	108 Å²	108	116 Å²	116	73%	0.73	68%	0.682	S	S	*	*			trans	-81.8	85.2	163.3	-78	0	0	0	0	108.2	S19 A23	S19-C21 PolarHBondContact O-N 3.13Å; C21-A23 PolarHBondContact O-N 2.91Å; C21-A23 VanDerWaalsContact O-N 3.08Å
22	S	37.5	Very low	45.2	Very low	122 Å²	122	108.3 Å²	108.3	85%	0.853	66%	0.663	S	S	*	*			trans	-73.8	79.6	157.2	55.8	0	0	0	0	108.5	L20	L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 2.98Å
23	A	32.3	Very low	47.4	Very low	82 Å²	82	105.5 Å²	105.5	68%	0.678	63%	0.634	S	S	*	*	S	Bend	trans	-152.8	108.7	170.8	0	0	0	0	0	109.9	C21	C21-A23 PolarHBondContact O-N 2.91Å; C21-A23 VanDerWaalsContact O-N 3.08Å
24	A	35.3	Very low	49.6	Very low	93 Å²	93	102.3 Å²	102.3	77%	0.769	60%	0.604	S	S	*	*			trans	52.4	88.7	168.2	0	0	0	0	0	117	S26	A24-S26 PolarHBondContact O-N 3.25Å
25	A	40.2	Very low	51.1	Low	105 Å²	105	99.5 Å²	99.5	87%	0.868	59%	0.587	S	S	*	*			trans	-58.7	98.7	145.7	0	0	0	0	0	106.4	R27	A25-R27 PolarHBondContact O-N 3.4Å
26	S	44.6	Very low	52.1	Low	64 Å²	64	98.1 Å²	98.1	45%	0.448	58%	0.576	S	S	.	*			trans	-58.1	132	-176.5	59.6	0	0	0	0	108.9	A24 Q28	A24-S26 PolarHBondContact O-N 3.25Å; S26-Q28 PolarHBondContact O-N 2.62Å; S26-Q28 WeakPolarHBondContact OG-CG 3.37Å; S26-Q28 PolarHBondContact OG-NE2 3.45Å
27	R	57.5	Low	52.9	Low	188 Å²	188	97.8 Å²	97.8	71%	0.709	59%	0.586	S	S	*	*			trans	-65.4	46.4	170.1	-64	-175.5	178.6	-179.5	-3	111.8	A25 G29 Q30	A25-R27 PolarHBondContact O-N 3.4Å; R27-G29 VanDerWaalsContact C-N 3.3Å; R27-G29 PolarHBondContact O-N 2.92Å; R27-Q30 HydrophobicContact CB-CB 4.23Å; R27-Q30 PolarHBondContact O-N 3.08Å
28	Q	65.7	Low	53.7	Low	125 Å²	125	94.7 Å²	94.7	58%	0.584	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-29.6	-168.1	-97.1	172.2	6.9	0	0	113.3	S26	S26-Q28 PolarHBondContact O-N 2.62Å; S26-Q28 WeakPolarHBondContact OG-CG 3.37Å; S26-Q28 PolarHBondContact OG-NE2 3.45Å
29	G	75.9	Confident	54.4	Low	9 Å²	9	87.6 Å²	87.6	9%	0.093	56%	0.556	C	S	.	*	T	Hydrogen-bonded Turn	trans	-106.4	3.2	177.9	0	0	0	0	0	115.1	R27 C170 D171	R27-G29 VanDerWaalsContact C-N 3.3Å; R27-G29 PolarHBondContact O-N 2.92Å; G29-C170 CarbonylContact O-C 3.59Å; G29-C170 WeakPolarHBondContact O-CA 3.49Å; G29-D171 PolarHBondContact O-N 3.07Å
30	Q	86.3	Confident	55.5	Low	64 Å²	64	94.7 Å²	94.7	30%	0.299	57%	0.568	S	S	.	*			trans	-96.5	118	-179	-65.1	-179.6	-14.5	0	0	109.7	R27 G102 D171 Y195	R27-Q30 HydrophobicContact CB-CB 4.23Å; R27-Q30 PolarHBondContact O-N 3.08Å; Q30-G102 PolarHBondContact NE2-O 3.32Å; Q30-D171 WeakPolarHBondContact CA-OD2 3.38Å; Q30-Y195 WeakPolarHBondContact O-CE1 3.47Å
31	A	83.7	Confident	56.4	Low	0 Å²	0	89.3 Å²	89.3	0%	0	54%	0.54	C	S	.	.			trans	-77.2	131.1	-179.3	0	0	0	0	0	110	D33 M34 A35 D171 Y195 Y200	A31-D33 WeakPolarHBondContact CB-OD1 3.29Å; A31-D33 PolarHBondContact O-N 3.33Å; A31-M34 HydrophobicContact CB-CB 4.21Å; A31-M34 HydrophobicContact CB-CG 4Å; A31-M34 HydrophobicContact CB-SD 4.4Å; A31-M34 PolarHBondContact O-N 2.95Å; A31-A35 PolarHBondContact O-N 3.32Å; A31-D171 HydrophobicContact CB-CB 3.98Å; A31-D171 PolarHBondContact N-OD2 3.24Å; A31-Y195 HydrophobicContact CB-CD1 4.02Å; A31-Y195 HydrophobicContact CB-CD2 4.01Å; A31-Y195 HydrophobicContact CB-CG 3.68Å; A31-Y200 HydrophobicContact CB-CE2 4.45Å; A31-Y200 WeakPolarHBondContact CB-OH 3.45Å
32	P	81.3	Confident	58.2	Low	80 Å²	80	85.4 Å²	85.4	52%	0.519	51%	0.512	S	S	.	.	H	α-helix	trans	-57.6	-36.9	-177.3	-24.8	32.6	0	0	0	113.4	M34 A35 Y195	P32-M34 PolarHBondContact O-N 2.69Å; P32-A35 PolarHBondContact O-N 3.36Å; P32-Y195 WeakPolarHBondContact CD-OH 3.36Å
33	D	78.4	Confident	60.2	Low	45 Å²	45	80.9 Å²	80.9	24%	0.241	48%	0.477	C	S	.	.	H	α-helix	trans	-70.6	-15.9	177.5	55.6	-30.1	0	0	0	113.8	A31 K173 Y200	A31-D33 WeakPolarHBondContact CB-OD1 3.29Å; A31-D33 PolarHBondContact O-N 3.33Å; D33-K173 IonicContact OD2-NZ 3.61Å; D33-Y200 PolarHBondContact OD1-OH 3.3Å; D33-Y200 VanDerWaalsContact OD1-OH 3.12Å; D33-Y200 PolarHBondContact OD2-OH 3.06Å
34	M	75.4	Confident	62.4	Low	24 Å²	24	77.4 Å²	77.4	12%	0.118	45%	0.447	C	S	.	.	H	α-helix	trans	-102.8	-16.7	175.8	-60.3	-165.3	-171.6	0	0	113.6	A31 P32 H98 P100 D171 I172 K173 Y200	A31-M34 HydrophobicContact CB-CB 4.21Å; A31-M34 HydrophobicContact CB-CG 4Å; A31-M34 HydrophobicContact CB-SD 4.4Å; A31-M34 PolarHBondContact O-N 2.95Å; P32-M34 PolarHBondContact O-N 2.69Å; M34-H98 HydrophobicContact CE-CB 3.59Å; M34-H98 WeakPolarHBondContact CE-CD2 3.5Å; M34-H98 HydrophobicContact CG-CB 4.2Å; M34-H98 WeakPolarHBondContact CG-ND1 3.5Å; M34-H98 HydrophobicContact SD-CB 3.72Å; M34-P100 HydrophobicContact SD-CB 4.32Å; M34-D171 HydrophobicContact SD-CB 3.66Å; M34-I172 WeakPolarHBondContact CE-O 3.49Å; M34-K173 HydrophobicContact CE-CB 3.78Å; M34-K173 HydrophobicContact CE-CG 4.49Å; M34-Y200 HydrophobicContact CE-CE1 4.39Å; M34-Y200 WeakPolarHBondContact CE-OH 3.41Å
35	A	63	Low	64.2	Low	52 Å²	52	75.8 Å²	75.8	43%	0.43	43%	0.431	S	S	.	.	H	α-helix	trans	-80.9	-20.4	-179.5	0	0	0	0	0	113.5	A31 P32 A37	A31-A35 PolarHBondContact O-N 3.32Å; P32-A35 PolarHBondContact O-N 3.36Å; A35-A37 PolarHBondContact O-N 2.93Å
36	E	57.3	Low	66.2	Low	143 Å²	143	74.4 Å²	74.4	67%	0.668	41%	0.408	S	S	*	.	S	Bend	trans	-78.6	107.2	175.5	-72.1	-172.7	170.9	0	0	110.5	G38 N39	E36-G38 PolarHBondContact O-N 3.5Å; E36-N39 PolarHBondContact O-N 2.98Å; E36-N39 VanDerWaalsContact O-N 3.09Å
37	A	47.3	Very low	67.9	Low	116 Å²	116	71.4 Å²	71.4	96%	0.959	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	1	178.5	0	0	0	0	0	115.8	A35	A35-A37 PolarHBondContact O-N 2.93Å
38	G	44.1	Very low	68.9	Low	67 Å²	67	66.8 Å²	66.8	69%	0.691	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-17.2	178.8	0	0	0	0	0	115.2	E36 R40	E36-G38 PolarHBondContact O-N 3.5Å; G38-R40 PolarHBondContact O-N 3.35Å
39	N	45.8	Very low	69.6	Low	86 Å²	86	63.6 Å²	63.6	46%	0.46	36%	0.357	S	S	.	.			trans	-84.8	84.1	-177.2	-140	-0.5	0	0	0	109.7	E36 L41	E36-N39 PolarHBondContact O-N 2.98Å; E36-N39 VanDerWaalsContact O-N 3.09Å; N39-L41 HydrophobicContact CB-CD1 4.37Å; N39-L41 VanDerWaalsContact ND2-CD1 3.25Å; N39-L41 WeakPolarHBondContact ND2-CD1 3.46Å; N39-L41 PolarHBondContact O-N 3.47Å
40	R	50.5	Low	69.9	Low	245 Å²	245	68.1 Å²	68.1	93%	0.925	37%	0.371	S	S	*	.			trans	-67.8	41.5	171	-67.3	179.2	176.7	174.6	-0.9	112.1	G38	G38-R40 PolarHBondContact O-N 3.35Å
41	L	55.5	Low	69.6	Low	57 Å²	57	65.4 Å²	65.4	30%	0.298	36%	0.359	S	S	.	.			trans	-57.3	148	158.7	-70.2	165	0	0	0	107.3	N39 H43 H98	N39-L41 HydrophobicContact CB-CD1 4.37Å; N39-L41 VanDerWaalsContact ND2-CD1 3.25Å; N39-L41 WeakPolarHBondContact ND2-CD1 3.46Å; N39-L41 PolarHBondContact O-N 3.47Å; L41-H43 PolarHBondContact O-N 3.42Å; L41-H98 WeakPolarHBondContact CD1-CE1 3.41Å
42	L	65.3	Low	69.5	Low	27 Å²	27	69.3 Å²	69.3	14%	0.141	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	98.5	-169.4	-82.2	160.6	0	0	0	110.2	R50 L95 V97 H98 L133	L42-R50 VanDerWaalsContact CD1-NH1 3.34Å; L42-R50 VanDerWaalsContact CD2-NH1 3.33Å; L42-L95 HydrophobicContact CD1-CD2 3.82Å; L42-V97 HydrophobicContact CB-CB 4.49Å; L42-V97 HydrophobicContact CB-CG2 3.79Å; L42-V97 HydrophobicContact CD1-CG2 4.3Å; L42-V97 WeakPolarHBondContact O-CA 3.5Å; L42-V97 WeakPolarHBondContact O-CB 3.35Å; L42-V97 WeakPolarHBondContact O-CG1 3.24Å; L42-H98 PolarHBondContact O-N 3.39Å; L42-H98 VanDerWaalsContact O-N 3.12Å; L42-L133 HydrophobicContact CD1-CD2 4.15Å
43	H	79.4	Confident	69.5	Low	27 Å²	27	72.3 Å²	72.3	13%	0.125	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	140.8	172.6	-170	-88.1	0	0	0	109	L41 S45 N46 V47 P100 E104 L107	L41-H43 PolarHBondContact O-N 3.42Å; H43-S45 PolarHBondContact CE1-OG 3.07Å; H43-S45 WeakPolarHBondContact ND1-CB 3.44Å; H43-S45 PolarHBondContact ND1-N 2.95Å; H43-S45 PolarHBondContact ND1-OG 2.77Å; H43-S45 PolarHBondContact O-N 2.96Å; H43-S45 VanDerWaalsContact O-N 3.07Å; H43-N46 WeakPolarHBondContact O-CA 3.32Å; H43-N46 WeakPolarHBondContact O-CB 3.38Å; H43-N46 PolarHBondContact O-N 3.41Å; H43-V47 PolarHBondContact O-N 2.66Å; H43-P100 WeakPolarHBondContact NE2-CD 3.38Å; H43-P100 WeakPolarHBondContact NE2-CG 3.38Å; H43-E104 IonicContact CE1-OE2 3.61Å; H43-E104 IonicContact NE2-OE1 3.3Å; H43-E104 IonicContact NE2-OE2 2.65Å; H43-E104 PolarHBondContact NE2-OE2 2.72Å; H43-L107 VanDerWaalsContact CE1-CD2 3.44Å; H43-L107 WeakPolarHBondContact CE1-CD2 3.46Å
44	V	77.7	Confident	69.5	Low	8 Å²	8	71.7 Å²	71.7	5%	0.048	38%	0.377	C	S	.	.	H	α-helix	trans	-54.3	-35.2	-176.7	73.9	0	0	0	0	112.6	N46 V47 V97 H98 L99 D126	V44-N46 PolarHBondContact O-N 3.42Å; V44-V47 WeakPolarHBondContact O-CB 3.41Å; V44-V47 PolarHBondContact O-N 3.17Å; V44-V97 HydrophobicContact CB-CG1 4.17Å; V44-H98 PolarHBondContact N-O 2.84Å; V44-L99 HydrophobicContact CG1-CB 4.42Å; V44-L99 HydrophobicContact CG1-CD1 3.63Å; V44-D126 HydrophobicContact CG2-CB 3.95Å
45	S	74.1	Confident	69.6	Low	60 Å²	60	70.6 Å²	70.6	42%	0.42	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-25.5	177.2	69	0	0	0	0	113.1	H43	H43-S45 PolarHBondContact CE1-OG 3.07Å; H43-S45 WeakPolarHBondContact ND1-CB 3.44Å; H43-S45 PolarHBondContact ND1-N 2.95Å; H43-S45 PolarHBondContact ND1-OG 2.77Å; H43-S45 PolarHBondContact O-N 2.96Å; H43-S45 VanDerWaalsContact O-N 3.07Å
46	N	81.4	Confident	69.7	Low	75 Å²	75	68.9 Å²	68.9	40%	0.401	36%	0.359	S	S	.	.	H	α-helix	trans	-89.9	-16.7	-178.6	-66.9	-28.6	0	0	0	113.1	H43 V44 R48 N49 R50	H43-N46 WeakPolarHBondContact O-CA 3.32Å; H43-N46 WeakPolarHBondContact O-CB 3.38Å; H43-N46 PolarHBondContact O-N 3.41Å; V44-N46 PolarHBondContact O-N 3.42Å; N46-R48 VanDerWaalsContact C-N 3.3Å; N46-R48 PolarHBondContact O-N 2.79Å; N46-N49 WeakPolarHBondContact O-CB 3.49Å; N46-N49 PolarHBondContact O-N 2.98Å; N46-R50 PolarHBondContact O-N 3.45Å
47	V	79.9	Confident	70.2	Confident	1 Å²	1	63 Å²	63	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-53.8	-47.8	178.4	172.2	0	0	0	0	110.8	H43 V44 N49 R50 L51 V97 L130 L133	H43-V47 PolarHBondContact O-N 2.66Å; V44-V47 WeakPolarHBondContact O-CB 3.41Å; V44-V47 PolarHBondContact O-N 3.17Å; V47-N49 VanDerWaalsContact C-N 3.34Å; V47-N49 PolarHBondContact O-N 2.68Å; V47-R50 PolarHBondContact O-N 3.32Å; V47-L51 HydrophobicContact CG1-CD1 4.31Å; V47-L51 WeakPolarHBondContact O-CG 3.05Å; V47-L51 PolarHBondContact O-N 3.1Å; V47-V97 HydrophobicContact CG2-CG1 3.87Å; V47-V97 HydrophobicContact CG2-CG2 4.34Å; V47-L130 HydrophobicContact CG1-CD2 4.18Å; V47-L130 HydrophobicContact CG2-CD2 3.74Å; V47-L133 HydrophobicContact CB-CD2 4.48Å; V47-L133 HydrophobicContact CG1-CB 4.26Å; V47-L133 HydrophobicContact CG1-CD2 3.98Å; V47-L133 HydrophobicContact CG2-CD2 4.33Å
48	R	78.6	Confident	71.1	Confident	91 Å²	91	59 Å²	59	34%	0.343	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-35.1	178.3	-68.7	-174.2	-178.4	-177	1.4	113.4	N46 R52 E125	N46-R48 VanDerWaalsContact C-N 3.3Å; N46-R48 PolarHBondContact O-N 2.79Å; R48-R52 WeakPolarHBondContact O-CG 3.37Å; R48-R52 PolarHBondContact O-N 3.14Å; R48-R52 VanDerWaalsContact O-N 3.09Å; R48-E125 IonicContact CZ-OE1 3.73Å; R48-E125 IonicContact NH1-OE1 3.17Å; R48-E125 IonicContact NH2-OE1 2.69Å; R48-E125 PolarHBondContact NH2-OE1 2.99Å
49	N	81	Confident	72.2	Confident	59 Å²	59	60.4 Å²	60.4	32%	0.316	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-45.8	177.5	-65.4	-21.5	0	0	0	109.8	N46 V47 L51 R52 E53	N46-N49 WeakPolarHBondContact O-CB 3.49Å; N46-N49 PolarHBondContact O-N 2.98Å; V47-N49 VanDerWaalsContact C-N 3.34Å; V47-N49 PolarHBondContact O-N 2.68Å; N49-L51 VanDerWaalsContact C-N 3.35Å; N49-L51 PolarHBondContact O-N 3.33Å; N49-R52 WeakPolarHBondContact O-CB 3.47Å; N49-R52 PolarHBondContact O-N 3.36Å; N49-R52 VanDerWaalsContact O-N 3.07Å; N49-R52 PolarHBondContact OD1-NH1 3.27Å; N49-R52 PolarHBondContact OD1-NH2 3.43Å; N49-E53 WeakPolarHBondContact O-CG 3.46Å; N49-E53 PolarHBondContact O-N 3.05Å
50	R	81.5	Confident	73.6	Confident	104 Å²	104	60.4 Å²	60.4	39%	0.392	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-41.2	177	-168.7	166.8	-179.3	172.8	-0.2	112.5	L42 N46 V47 R52 E53 I54 L133	L42-R50 VanDerWaalsContact CD1-NH1 3.34Å; L42-R50 VanDerWaalsContact CD2-NH1 3.33Å; N46-R50 PolarHBondContact O-N 3.45Å; V47-R50 PolarHBondContact O-N 3.32Å; R50-R52 VanDerWaalsContact C-N 3.33Å; R50-R52 PolarHBondContact O-N 3.42Å; R50-E53 PolarHBondContact O-N 3.47Å; R50-I54 HydrophobicContact CG-CD1 4.14Å; R50-I54 VanDerWaalsContact O-CG1 3.27Å; R50-I54 WeakPolarHBondContact O-CG1 3.43Å; R50-I54 PolarHBondContact O-N 2.85Å; R50-L133 HydrophobicContact CB-CD1 4.45Å; R50-L133 HydrophobicContact CG-CD1 4.09Å
51	L	81.1	Confident	74.5	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-41.5	172.8	-74.7	176.5	0	0	0	112.5	V47 N49 E53 I54 V55 V132 L133 Y136 I313	V47-L51 HydrophobicContact CG1-CD1 4.31Å; V47-L51 WeakPolarHBondContact O-CG 3.05Å; V47-L51 PolarHBondContact O-N 3.1Å; N49-L51 VanDerWaalsContact C-N 3.35Å; N49-L51 PolarHBondContact O-N 3.33Å; L51-E53 VanDerWaalsContact C-N 3.33Å; L51-E53 PolarHBondContact O-N 2.95Å; L51-I54 PolarHBondContact O-N 2.91Å; L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.3Å; L51-V55 VanDerWaalsContact O-N 3.14Å; L51-V132 HydrophobicContact CD1-CB 4.32Å; L51-V132 HydrophobicContact CD1-CG1 4.11Å; L51-V132 HydrophobicContact CD2-CB 4.44Å; L51-V132 HydrophobicContact CD2-CG1 3.76Å; L51-L133 HydrophobicContact CD2-CB 3.95Å; L51-L133 HydrophobicContact CD2-CD1 3.85Å; L51-L133 HydrophobicContact CG-CB 4.32Å; L51-L133 HydrophobicContact CG-CD1 4.23Å; L51-Y136 HydrophobicContact CD2-CD2 3.74Å; L51-Y136 HydrophobicContact CD2-CE2 4.47Å; L51-I313 HydrophobicContact CB-CD1 4.16Å; L51-I313 HydrophobicContact CB-CG2 4.19Å; L51-I313 HydrophobicContact CD2-CD1 4.46Å
52	R	81.2	Confident	75.4	Confident	82 Å²	82	55.4 Å²	55.4	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-39.4	175.7	-76.6	-176	-115.6	122.6	5.2	111.9	R48 N49 R50 G56 A57 I313	R48-R52 WeakPolarHBondContact O-CG 3.37Å; R48-R52 PolarHBondContact O-N 3.14Å; R48-R52 VanDerWaalsContact O-N 3.09Å; N49-R52 WeakPolarHBondContact O-CB 3.47Å; N49-R52 PolarHBondContact O-N 3.36Å; N49-R52 VanDerWaalsContact O-N 3.07Å; N49-R52 PolarHBondContact OD1-NH1 3.27Å; N49-R52 PolarHBondContact OD1-NH2 3.43Å; R50-R52 VanDerWaalsContact C-N 3.33Å; R50-R52 PolarHBondContact O-N 3.42Å; R52-G56 VanDerWaalsContact O-CA 3.24Å; R52-G56 WeakPolarHBondContact O-CA 3.35Å; R52-G56 PolarHBondContact O-N 3.09Å; R52-A57 HydrophobicContact CG-CB 4.38Å; R52-A57 PolarHBondContact O-N 3.26Å; R52-A57 VanDerWaalsContact O-N 3.13Å; R52-I313 HydrophobicContact CG-CG2 4.08Å
53	E	81.1	Confident	76	Confident	143 Å²	143	57 Å²	57	67%	0.668	30%	0.295	S	S	*	.	H	α-helix	trans	-64.1	-47.1	176.1	-70.5	168.1	-171.7	0	0	112.1	N49 R50 L51 V55 G56	N49-E53 WeakPolarHBondContact O-CG 3.46Å; N49-E53 PolarHBondContact O-N 3.05Å; R50-E53 PolarHBondContact O-N 3.47Å; L51-E53 VanDerWaalsContact C-N 3.33Å; L51-E53 PolarHBondContact O-N 2.95Å; E53-V55 VanDerWaalsContact C-N 3.3Å; E53-V55 PolarHBondContact O-N 3.41Å; E53-G56 PolarHBondContact O-N 3Å
54	I	78.8	Confident	75.6	Confident	32 Å²	32	57.3 Å²	57.3	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-41.2	-179.7	-68.7	164.2	0	0	0	111.7	R50 L51 L133 Y136 R146 S147	R50-I54 HydrophobicContact CG-CD1 4.14Å; R50-I54 VanDerWaalsContact O-CG1 3.27Å; R50-I54 WeakPolarHBondContact O-CG1 3.43Å; R50-I54 PolarHBondContact O-N 2.85Å; L51-I54 PolarHBondContact O-N 2.91Å; I54-L133 HydrophobicContact CD1-CD1 3.79Å; I54-Y136 HydrophobicContact CG2-CD1 3.61Å; I54-Y136 HydrophobicContact CG2-CE1 4.29Å; I54-Y136 HydrophobicContact CG2-CG 3.88Å; I54-R146 WeakPolarHBondContact O-CA 3.2Å; I54-S147 PolarHBondContact O-N 3.14Å
55	V	76.9	Confident	75.4	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-92.7	-19.8	-174.3	177.9	0	0	0	0	112.1	L51 E53 A57 R71 Y136 I313 F314	L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.3Å; L51-V55 VanDerWaalsContact O-N 3.14Å; E53-V55 VanDerWaalsContact C-N 3.3Å; E53-V55 PolarHBondContact O-N 3.41Å; V55-A57 HydrophobicContact CG1-CB 4.48Å; V55-R71 VanDerWaalsContact CG1-CZ 3.5Å; V55-R71 PolarHBondContact O-NH1 3.44Å; V55-Y136 HydrophobicContact CG2-CE1 4.09Å; V55-Y136 HydrophobicContact CG2-CE2 4.02Å; V55-I313 HydrophobicContact CB-CD1 4.21Å; V55-I313 HydrophobicContact CG1-CB 4.44Å; V55-I313 HydrophobicContact CG1-CD1 4.45Å; V55-I313 HydrophobicContact CG1-CG1 4.35Å; V55-I313 HydrophobicContact CG2-CD1 3.55Å; V55-I313 HydrophobicContact CG2-CG1 4.31Å; V55-F314 HydrophobicContact CG1-CD1 4.39Å; V55-F314 HydrophobicContact CG1-CE1 3.58Å; V55-F314 HydrophobicContact CG1-CZ 4.08Å; V55-F314 HydrophobicContact CG2-CE1 4.44Å; V55-F314 HydrophobicContact CG2-CZ 4.17Å
56	G	65.7	Low	75.4	Confident	17 Å²	17	67 Å²	67	18%	0.175	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	69	33.8	-173.3	0	0	0	0	0	113.4	R52 E53	R52-G56 VanDerWaalsContact O-CA 3.24Å; R52-G56 WeakPolarHBondContact O-CA 3.35Å; R52-G56 PolarHBondContact O-N 3.09Å; E53-G56 PolarHBondContact O-N 3Å
57	A	67.9	Low	75.1	Confident	18 Å²	18	64.1 Å²	64.1	15%	0.149	32%	0.321	C	S	.	.			trans	-77.8	133.6	-177.9	0	0	0	0	0	111.6	R52 V55 I313	R52-A57 HydrophobicContact CG-CB 4.38Å; R52-A57 PolarHBondContact O-N 3.26Å; R52-A57 VanDerWaalsContact O-N 3.13Å; V55-A57 HydrophobicContact CG1-CB 4.48Å; A57-I313 HydrophobicContact CB-CB 4.06Å; A57-I313 HydrophobicContact CB-CG2 4.48Å
58	S	65.7	Low	74.8	Confident	32 Å²	32	66.4 Å²	66.4	22%	0.224	33%	0.332	C	S	.	.			trans	-70.9	140.5	176.4	179.4	0	0	0	0	111.6	N60 D63 R311	S58-N60 VanDerWaalsContact C-N 3.33Å; S58-N60 PolarHBondContact OG-N 3.05Å; S58-N60 VanDerWaalsContact OG-N 3.13Å; S58-N60 PolarHBondContact OG-O 3.17Å; S58-D63 PolarHBondContact OG-OD2 3.28Å; S58-R311 PolarHBondContact O-NH2 3.11Å
59	T	67.2	Low	74.8	Confident	97 Å²	97	65.2 Å²	65.2	60%	0.595	34%	0.342	S	S	*	.	S	Bend	trans	-71.2	-31.3	171.6	49.6	0	0	0	0	111.9	R311	T59-R311 PolarHBondContact O-NH2 3.27Å
60	N	74.1	Confident	74.7	Confident	86 Å²	86	66.7 Å²	66.7	46%	0.46	35%	0.347	S	S	.	.	S	Bend	trans	-84.5	144.9	-176	-61.5	-20.1	0	0	0	110.7	S58 D63 R311	S58-N60 VanDerWaalsContact C-N 3.33Å; S58-N60 PolarHBondContact OG-N 3.05Å; S58-N60 VanDerWaalsContact OG-N 3.13Å; S58-N60 PolarHBondContact OG-O 3.17Å; N60-D63 WeakPolarHBondContact CB-OD2 3.46Å; N60-D63 PolarHBondContact ND2-OD2 2.69Å; N60-R311 PolarHBondContact O-NH2 3.28Å
61	W	69.9	Low	74.8	Confident	108 Å²	108	62 Å²	62	41%	0.409	33%	0.33	S	S	.	.	S	Bend	trans	-73.4	-36.7	174.8	175.8	-112	0	0	0	111.5	D63 H64 P308 I358	W61-D63 PolarHBondContact O-N 3.23Å; W61-D63 VanDerWaalsContact O-N 3.16Å; W61-H64 AromaticContact CD2-ND1 3.68Å; W61-H64 AromaticContact CE2-CE1 3.58Å; W61-H64 AromaticContact CE2-ND1 3.71Å; W61-H64 HydrophobicContact CE3-CB 4.17Å; W61-H64 AromaticContact CE3-CG 3.87Å; W61-H64 AromaticContact CE3-ND1 3.79Å; W61-H64 AromaticContact CH2-CD2 3.88Å; W61-H64 AromaticContact CH2-CE1 3.64Å; W61-H64 AromaticContact CH2-ND1 3.99Å; W61-H64 AromaticContact CH2-NE2 3.59Å; W61-H64 AromaticContact CZ2-CE1 3.39Å; W61-H64 WeakPolarHBondContact CZ2-CE1 3.43Å; W61-H64 AromaticContact CZ2-ND1 3.89Å; W61-H64 AromaticContact CZ2-NE2 3.76Å; W61-H64 HydrophobicContact CZ3-CB 4.34Å; W61-H64 AromaticContact CZ3-CD2 3.86Å; W61-H64 AromaticContact CZ3-CG 3.79Å; W61-H64 AromaticContact CZ3-ND1 3.92Å; W61-H64 VanDerWaalsContact O-CB 3.28Å; W61-H64 WeakPolarHBondContact O-CB 3.45Å; W61-H64 VanDerWaalsContact O-CG 3.3Å; W61-H64 PolarHBondContact O-N 3.09Å; W61-H64 PolarHBondContact O-ND1 3.02Å; W61-P308 HydrophobicContact CD2-CB 3.99Å; W61-P308 HydrophobicContact CD2-CG 3.92Å; W61-P308 HydrophobicContact CE3-CB 3.86Å; W61-P308 HydrophobicContact CE3-CG 4.15Å; W61-P308 HydrophobicContact CG-CB 4.3Å; W61-P308 HydrophobicContact CG-CG 4.27Å; W61-P308 HydrophobicContact CZ2-CG 4.49Å; W61-P308 HydrophobicContact CZ3-CB 4.43Å; W61-I358 HydrophobicContact CE3-CD1 4.4Å; W61-I358 HydrophobicContact CH2-CB 4.39Å; W61-I358 HydrophobicContact CH2-CD1 3.73Å; W61-I358 HydrophobicContact CH2-CG2 4.15Å; W61-I358 HydrophobicContact CZ3-CD1 3.39Å
62	S	74.9	Confident	74.9	Confident	90 Å²	90	65.8 Å²	65.8	63%	0.629	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-38.6	179.6	48.7	0	0	0	0	113.4	H64	S62-H64 VanDerWaalsContact C-N 3.26Å; S62-H64 PolarHBondContact O-N 3.32Å
63	D	77.2	Confident	75	Confident	61 Å²	61	65.7 Å²	65.7	33%	0.326	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.1	-169.7	-42.1	-21.6	0	0	0	112	S58 N60 W61 Q65 Q66 A67	S58-D63 PolarHBondContact OG-OD2 3.28Å; N60-D63 WeakPolarHBondContact CB-OD2 3.46Å; N60-D63 PolarHBondContact ND2-OD2 2.69Å; W61-D63 PolarHBondContact O-N 3.23Å; W61-D63 VanDerWaalsContact O-N 3.16Å; D63-Q65 PolarHBondContact O-N 2.76Å; D63-Q66 PolarHBondContact O-N 2.98Å; D63-A67 WeakPolarHBondContact O-CB 3.28Å; D63-A67 PolarHBondContact O-N 3.47Å
64	H	71.5	Confident	75.3	Confident	33 Å²	33	59.9 Å²	59.9	15%	0.153	34%	0.338	C	S	.	.	H	α-helix	trans	-66.5	-36.9	-169.4	85.5	-87.3	0	0	0	112.7	W61 S62 A67 M68 N315	W61-H64 AromaticContact CD2-ND1 3.68Å; W61-H64 AromaticContact CE2-CE1 3.58Å; W61-H64 AromaticContact CE2-ND1 3.71Å; W61-H64 HydrophobicContact CE3-CB 4.17Å; W61-H64 AromaticContact CE3-CG 3.87Å; W61-H64 AromaticContact CE3-ND1 3.79Å; W61-H64 AromaticContact CH2-CD2 3.88Å; W61-H64 AromaticContact CH2-CE1 3.64Å; W61-H64 AromaticContact CH2-ND1 3.99Å; W61-H64 AromaticContact CH2-NE2 3.59Å; W61-H64 AromaticContact CZ2-CE1 3.39Å; W61-H64 WeakPolarHBondContact CZ2-CE1 3.43Å; W61-H64 AromaticContact CZ2-ND1 3.89Å; W61-H64 AromaticContact CZ2-NE2 3.76Å; W61-H64 HydrophobicContact CZ3-CB 4.34Å; W61-H64 AromaticContact CZ3-CD2 3.86Å; W61-H64 AromaticContact CZ3-CG 3.79Å; W61-H64 AromaticContact CZ3-ND1 3.92Å; W61-H64 VanDerWaalsContact O-CB 3.28Å; W61-H64 WeakPolarHBondContact O-CB 3.45Å; W61-H64 VanDerWaalsContact O-CG 3.3Å; W61-H64 PolarHBondContact O-N 3.09Å; W61-H64 PolarHBondContact O-ND1 3.02Å; S62-H64 VanDerWaalsContact C-N 3.26Å; S62-H64 PolarHBondContact O-N 3.32Å; H64-A67 PolarHBondContact O-N 2.83Å; H64-M68 WeakPolarHBondContact O-CB 3.37Å; H64-M68 VanDerWaalsContact O-CG 3.25Å; H64-M68 WeakPolarHBondContact O-CG 3.22Å; H64-M68 PolarHBondContact O-N 3.19Å; H64-N315 WeakPolarHBondContact CB-ND2 2.96Å
65	Q	72.7	Confident	75.7	Confident	144 Å²	144	60.6 Å²	60.6	67%	0.673	35%	0.348	S	S	*	.	H	α-helix	trans	-66	-45.4	179.3	-67.1	-175.5	-21.2	0	0	110.9	D63 M68 A69	D63-Q65 PolarHBondContact O-N 2.76Å; Q65-M68 PolarHBondContact O-N 2.85Å; Q65-A69 WeakPolarHBondContact O-CB 3.3Å; Q65-A69 PolarHBondContact O-N 3Å
66	Q	75.1	Confident	76.2	Confident	126 Å²	126	65.4 Å²	65.4	59%	0.589	38%	0.382	S	S	*	.	H	α-helix	trans	-63.4	-47.7	176.4	-177.5	178.2	-7.2	0	0	111.1	D63 M68 A69 E70	D63-Q66 PolarHBondContact O-N 2.98Å; Q66-M68 VanDerWaalsContact C-N 3.28Å; Q66-M68 PolarHBondContact O-N 3.07Å; Q66-A69 PolarHBondContact O-N 3.17Å; Q66-A69 VanDerWaalsContact O-N 3.15Å; Q66-E70 HydrophobicContact CG-CG 4.47Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.5Å; Q66-E70 PolarHBondContact NE2-OE1 3.03Å; Q66-E70 WeakPolarHBondContact O-CG 3.36Å; Q66-E70 PolarHBondContact O-N 2.87Å
67	A	74	Confident	77.4	Confident	15 Å²	15	68.9 Å²	68.9	12%	0.124	40%	0.395	C	S	.	.	H	α-helix	trans	-60.3	-37.6	178.4	0	0	0	0	0	112.4	D63 H64 R71	D63-A67 WeakPolarHBondContact O-CB 3.28Å; D63-A67 PolarHBondContact O-N 3.47Å; H64-A67 PolarHBondContact O-N 2.83Å; A67-R71 VanDerWaalsContact O-CG 3.28Å; A67-R71 WeakPolarHBondContact O-CG 3.49Å; A67-R71 PolarHBondContact O-N 3.16Å; A67-R71 VanDerWaalsContact O-N 3.09Å
68	M	75.3	Confident	78.5	Confident	49 Å²	49	70.1 Å²	70.1	24%	0.241	40%	0.399	C	S	.	.	H	α-helix	trans	-69.8	-41.4	175.1	-71.1	-59.2	103.2	0	0	112.1	H64 Q65 Q66 E70 R71 V72 N315	H64-M68 WeakPolarHBondContact O-CB 3.37Å; H64-M68 VanDerWaalsContact O-CG 3.25Å; H64-M68 WeakPolarHBondContact O-CG 3.22Å; H64-M68 PolarHBondContact O-N 3.19Å; Q65-M68 PolarHBondContact O-N 2.85Å; Q66-M68 VanDerWaalsContact C-N 3.28Å; Q66-M68 PolarHBondContact O-N 3.07Å; M68-E70 PolarHBondContact O-N 2.94Å; M68-R71 PolarHBondContact O-N 3.18Å; M68-V72 PolarHBondContact O-N 2.94Å; M68-N315 VanDerWaalsContact CG-ND2 3.29Å; M68-N315 WeakPolarHBondContact CG-ND2 3.31Å
69	A	77.8	Confident	79.8	Confident	67 Å²	67	69.8 Å²	69.8	55%	0.554	40%	0.398	S	S	*	.	H	α-helix	trans	-60.7	-44.7	175.7	0	0	0	0	0	111.6	Q65 Q66 R71 V72	Q65-A69 WeakPolarHBondContact O-CB 3.3Å; Q65-A69 PolarHBondContact O-N 3Å; Q66-A69 PolarHBondContact O-N 3.17Å; Q66-A69 VanDerWaalsContact O-N 3.15Å; A69-R71 VanDerWaalsContact C-N 3.3Å; A69-R71 PolarHBondContact O-N 3.46Å; A69-V72 PolarHBondContact O-N 2.89Å
70	E	79.8	Confident	81	Confident	89 Å²	89	75.6 Å²	75.6	42%	0.416	41%	0.409	S	S	.	.	H	α-helix	trans	-60.9	-38.5	175.3	-72.7	175	-167.4	0	0	111.7	Q66 M68 V72 S73	Q66-E70 HydrophobicContact CG-CG 4.47Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.5Å; Q66-E70 PolarHBondContact NE2-OE1 3.03Å; Q66-E70 WeakPolarHBondContact O-CG 3.36Å; Q66-E70 PolarHBondContact O-N 2.87Å; M68-E70 PolarHBondContact O-N 2.94Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 3.45Å; E70-S73 WeakPolarHBondContact O-CB 3.46Å; E70-S73 PolarHBondContact O-N 3.14Å; E70-S73 PolarHBondContact O-OG 3.12Å
71	R	82.9	Confident	82	Confident	7 Å²	7	73 Å²	73	3%	0.026	40%	0.397	C	S	.	.	H	α-helix	trans	-65.6	-33	178.1	-78	-177.7	67.9	67.2	7.3	113.5	V55 A67 M68 A69 S73 L74 S147 L149 P215	V55-R71 VanDerWaalsContact CG1-CZ 3.5Å; V55-R71 PolarHBondContact O-NH1 3.44Å; A67-R71 VanDerWaalsContact O-CG 3.28Å; A67-R71 WeakPolarHBondContact O-CG 3.49Å; A67-R71 PolarHBondContact O-N 3.16Å; A67-R71 VanDerWaalsContact O-N 3.09Å; M68-R71 PolarHBondContact O-N 3.18Å; A69-R71 VanDerWaalsContact C-N 3.3Å; A69-R71 PolarHBondContact O-N 3.46Å; R71-S73 PolarHBondContact O-N 2.92Å; R71-L74 HydrophobicContact CB-CD1 4.49Å; R71-L74 HydrophobicContact CG-CD1 4.26Å; R71-L74 VanDerWaalsContact O-CB 3.24Å; R71-L74 WeakPolarHBondContact O-CB 3.31Å; R71-L74 PolarHBondContact O-N 3.05Å; R71-S147 PolarHBondContact NH1-O 2.98Å; R71-L149 PolarHBondContact NH2-O 3Å; R71-P215 HydrophobicContact CB-CB 4.35Å; R71-P215 WeakPolarHBondContact O-CB 3.38Å; R71-P215 WeakPolarHBondContact O-CG 3.4Å
72	V	82.4	Confident	83.2	Confident	85 Å²	85	70.2 Å²	70.2	52%	0.515	39%	0.389	S	S	.	.	H	α-helix	trans	-58.3	-31.5	176.3	177.4	0	0	0	0	111.1	M68 A69 E70 L74 A75	M68-V72 PolarHBondContact O-N 2.94Å; A69-V72 PolarHBondContact O-N 2.89Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 3.45Å; V72-L74 PolarHBondContact O-N 3.32Å; V72-A75 VanDerWaalsContact O-CB 3.29Å; V72-A75 WeakPolarHBondContact O-CB 3.36Å; V72-A75 PolarHBondContact O-N 3.4Å
73	S	84.8	Confident	84	Confident	80 Å²	80	71.2 Å²	71.2	56%	0.559	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.6	176.1	77.9	0	0	0	0	113.9	E70 R71 A75 S76	E70-S73 WeakPolarHBondContact O-CB 3.46Å; E70-S73 PolarHBondContact O-N 3.14Å; E70-S73 PolarHBondContact O-OG 3.12Å; R71-S73 PolarHBondContact O-N 2.92Å; S73-A75 PolarHBondContact O-N 3.22Å; S73-S76 PolarHBondContact O-OG 2.9Å
74	L	86.6	Confident	84.8	Confident	21 Å²	21	73.5 Å²	73.5	11%	0.11	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-71.5	-8.2	178.2	-56.8	175.6	0	0	0	112.9	R71 V72 S76 M77 P148 P215	R71-L74 HydrophobicContact CB-CD1 4.49Å; R71-L74 HydrophobicContact CG-CD1 4.26Å; R71-L74 VanDerWaalsContact O-CB 3.24Å; R71-L74 WeakPolarHBondContact O-CB 3.31Å; R71-L74 PolarHBondContact O-N 3.05Å; V72-L74 PolarHBondContact O-N 3.32Å; L74-S76 PolarHBondContact O-N 2.9Å; L74-M77 HydrophobicContact CD2-CE 3.77Å; L74-M77 HydrophobicContact CD2-SD 3.72Å; L74-M77 WeakPolarHBondContact O-CB 3.47Å; L74-M77 PolarHBondContact O-N 3.36Å; L74-P148 HydrophobicContact CB-CB 3.91Å; L74-P148 WeakPolarHBondContact O-CB 3.29Å; L74-P215 HydrophobicContact CB-CG 4.03Å
75	A	87	Confident	85.9	Confident	46 Å²	46	73.6 Å²	73.6	38%	0.38	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-60.2	-27.7	179	0	0	0	0	0	112.5	V72 S73 M77 L78 P215	V72-A75 VanDerWaalsContact O-CB 3.29Å; V72-A75 WeakPolarHBondContact O-CB 3.36Å; V72-A75 PolarHBondContact O-N 3.4Å; S73-A75 PolarHBondContact O-N 3.22Å; A75-M77 PolarHBondContact O-N 2.88Å; A75-L78 WeakPolarHBondContact O-CB 3.37Å; A75-L78 PolarHBondContact O-N 2.92Å; A75-P215 HydrophobicContact CB-CG 4.19Å
76	S	88.6	Confident	87	Confident	102 Å²	102	70.8 Å²	70.8	71%	0.713	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-66.9	-18.8	175.1	60.9	0	0	0	0	113.7	S73 L74	S73-S76 PolarHBondContact O-OG 2.9Å; L74-S76 PolarHBondContact O-N 2.9Å
77	M	90	Very high	88	Confident	91 Å²	91	67.7 Å²	67.7	45%	0.448	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-91.6	-0.4	-179.6	-54.1	178.8	-174.2	0	0	113	L74 A75 L144 P148	L74-M77 HydrophobicContact CD2-CE 3.77Å; L74-M77 HydrophobicContact CD2-SD 3.72Å; L74-M77 WeakPolarHBondContact O-CB 3.47Å; L74-M77 PolarHBondContact O-N 3.36Å; A75-M77 PolarHBondContact O-N 2.88Å; M77-L144 HydrophobicContact SD-CD2 3.99Å; M77-P148 HydrophobicContact CB-CB 4.26Å; M77-P148 HydrophobicContact CB-CG 4.34Å
78	L	92	Very high	89.1	Confident	43 Å²	43	68.8 Å²	68.8	23%	0.225	40%	0.398	C	S	.	.	S	Bend	trans	-75	138	176.5	-65.2	175.6	0	0	0	110.7	A75 P148 L149 D214 A221	A75-L78 WeakPolarHBondContact O-CB 3.37Å; A75-L78 PolarHBondContact O-N 2.92Å; L78-P148 HydrophobicContact CD2-CB 3.85Å; L78-P148 HydrophobicContact CD2-CG 3.95Å; L78-P148 HydrophobicContact CG-CB 4.44Å; L78-L149 HydrophobicContact CD2-CD2 3.64Å; L78-D214 HydrophobicContact CD1-CB 3.8Å; L78-A221 HydrophobicContact CD2-CB 4.16Å
79	A	92.1	Very high	90.1	Very high	25 Å²	25	70.6 Å²	70.6	21%	0.207	40%	0.403	C	S	.	.			trans	-63.9	144.6	169.9	0	0	0	0	0	111	E84 L85	A79-E84 HydrophobicContact CB-CB 4.2Å; A79-L85 HydrophobicContact CB-CD1 4.13Å; A79-L85 HydrophobicContact CB-CD2 3.71Å; A79-L85 HydrophobicContact CB-CG 3.75Å
80	R	93.1	Very high	91	Very high	220 Å²	220	67.4 Å²	67.4	83%	0.83	38%	0.376	S	S	*	.	S	Bend	trans	-87.7	-18.8	178.3	-60.3	178.2	179.7	-180	0.5	112.6	E84 F222	R80-E84 WeakPolarHBondContact CB-OE1 3.18Å; R80-E84 PolarHBondContact N-OE2 2.7Å; R80-F222 WeakPolarHBondContact O-CE2 3.12Å
81	S	94.2	Very high	91.7	Very high	31 Å²	31	67.8 Å²	67.8	22%	0.217	38%	0.377	C	S	.	.	S	Bend	trans	-146.7	157.4	177.5	65.3	0	0	0	0	110.8	S83 E84	S81-S83 PolarHBondContact O-N 2.76Å; S81-S83 PolarHBondContact OG-OG 3.28Å; S81-E84 PolarHBondContact N-OE1 2.85Å; S81-E84 PolarHBondContact O-N 2.83Å; S81-E84 WeakPolarHBondContact OG-CG 3.31Å; S81-E84 PolarHBondContact OG-OE1 3.06Å
82	Q	94.7	Very high	92.3	Very high	50 Å²	50	70.3 Å²	70.3	23%	0.234	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-67.1	-27.3	177.3	-173.6	163.5	45	0	0	112.5	E84 L85 G182 F222 V223 P225	Q82-E84 PolarHBondContact O-N 2.79Å; Q82-L85 PolarHBondContact O-N 3.18Å; Q82-L85 VanDerWaalsContact O-N 3.13Å; Q82-G182 PolarHBondContact NE2-O 3.15Å; Q82-F222 HydrophobicContact CB-CD1 4.05Å; Q82-V223 WeakPolarHBondContact CG-O 3.32Å; Q82-V223 PolarHBondContact NE2-O 3.39Å; Q82-P225 HydrophobicContact CG-CB 4.42Å; Q82-P225 HydrophobicContact CG-CG 4.42Å
83	S	92.8	Very high	93	Very high	111 Å²	111	66.2 Å²	66.2	78%	0.776	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-69.8	-17.4	177.3	48.8	0	0	0	0	114.1	S81	S81-S83 PolarHBondContact O-N 2.76Å; S81-S83 PolarHBondContact OG-OG 3.28Å
84	E	93.9	Very high	93.5	Very high	109 Å²	109	67.1 Å²	67.1	51%	0.509	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-76.6	-11.9	172.4	-73.9	158.8	-137	0	0	112.5	A79 R80 S81 Q82	A79-E84 HydrophobicContact CB-CB 4.2Å; R80-E84 WeakPolarHBondContact CB-OE1 3.18Å; R80-E84 PolarHBondContact N-OE2 2.7Å; S81-E84 PolarHBondContact N-OE1 2.85Å; S81-E84 PolarHBondContact O-N 2.83Å; S81-E84 WeakPolarHBondContact OG-CG 3.31Å; S81-E84 PolarHBondContact OG-OE1 3.06Å; Q82-E84 PolarHBondContact O-N 2.79Å
85	L	95.1	Very high	93.8	Very high	35 Å²	35	67 Å²	67	18%	0.183	36%	0.359	C	S	.	.	S	Bend	trans	-98.9	135.3	-178.6	-63.5	173.1	0	0	0	110.3	A79 Q82 F222	A79-L85 HydrophobicContact CB-CD1 4.13Å; A79-L85 HydrophobicContact CB-CD2 3.71Å; A79-L85 HydrophobicContact CB-CG 3.75Å; Q82-L85 PolarHBondContact O-N 3.18Å; Q82-L85 VanDerWaalsContact O-N 3.13Å; L85-F222 HydrophobicContact CD1-CB 4Å
86	P	95.5	Very high	94.2	Very high	84 Å²	84	67.2 Å²	67.2	55%	0.545	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-65.8	142.6	176.3	27.5	-33.7	0	0	0	110.2	N224	P86-N224 WeakPolarHBondContact CD-ND2 3.41Å; P86-N224 WeakPolarHBondContact O-CB 3.42Å; P86-N224 PolarHBondContact O-ND2 3.24Å
87	A	96.2	Very high	94.3	Very high	62 Å²	62	62.5 Å²	62.5	51%	0.512	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-63.6	144	170.3	0	0	0	0	0	110.8	P225 A227	A87-P225 CarbonylContact C-O 3.51Å; A87-P225 WeakPolarHBondContact CA-O 3.37Å; A87-P225 HydrophobicContact CB-CG 4.13Å; A87-A227 HydrophobicContact CB-CB 4.02Å
88	K	96.6	Very high	94.4	Very high	38 Å²	38	58.6 Å²	58.6	17%	0.165	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-124.8	149.8	-177.8	-69.3	-74.8	-167.6	166.3	0	109	D92 H138 Y140 N224 P225 L226 A227	K88-D92 HydrophobicContact CD-CB 4.42Å; K88-H138 WeakPolarHBondContact CB-CE1 3.48Å; K88-H138 WeakPolarHBondContact CE-O 3.29Å; K88-H138 WeakPolarHBondContact CG-O 3.39Å; K88-Y140 PolarHBondContact NZ-O 2.85Å; K88-N224 HydrophobicContact CB-CB 4.32Å; K88-N224 HydrophobicContact CG-CB 3.61Å; K88-P225 PolarHBondContact N-O 3.48Å; K88-L226 CarbonylContact O-C 3.59Å; K88-L226 WeakPolarHBondContact O-CA 3.47Å; K88-A227 PolarHBondContact O-N 3.21Å
89	R	96.4	Very high	94.5	Very high	87 Å²	87	56.5 Å²	56.5	33%	0.328	29%	0.289	S	S	.	.			trans	-98	159.3	-179.5	-58.3	171.6	-70.1	-173.5	2.9	110.2	K91 D92 E229	R89-K91 VanDerWaalsContact C-N 3.25Å; R89-K91 HydrophobicContact CB-CG 4.13Å; R89-K91 VanDerWaalsContact NH2-CE 3.35Å; R89-K91 PolarHBondContact O-N 3.2Å; R89-D92 IonicContact CZ-OD1 3.37Å; R89-D92 PolarHBondContact N-OD2 3.38Å; R89-D92 IonicContact NE-OD1 3.6Å; R89-D92 PolarHBondContact NE-OD1 3.4Å; R89-D92 IonicContact NE-OD2 3.67Å; R89-D92 PolarHBondContact NE-OD2 3.13Å; R89-D92 IonicContact NH2-OD1 3.5Å; R89-D92 PolarHBondContact NH2-OD1 2.85Å; R89-D92 VanDerWaalsContact NH2-OD1 3.17Å; R89-D92 WeakPolarHBondContact O-CB 3.14Å; R89-D92 PolarHBondContact O-N 3.03Å; R89-E229 WeakPolarHBondContact CD-OE1 3.46Å; R89-E229 HydrophobicContact CG-CG 4.25Å; R89-E229 IonicContact CZ-OE1 3.85Å; R89-E229 IonicContact NE-OE1 2.76Å; R89-E229 IonicContact NH1-OE1 3.77Å; R89-E229 PolarHBondContact NH1-OE1 3.13Å; R89-E229 IonicContact NH1-OE2 3.67Å
90	M	96.2	Very high	94.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-57.2	-43.2	178.9	-59.7	-165.4	178.1	0	0	111	D92 S93 F94 Q177 V178 T179 L226 P228 E233 L236 L237	M90-D92 PolarHBondContact O-N 2.88Å; M90-S93 PolarHBondContact O-N 3Å; M90-S93 PolarHBondContact O-OG 3.04Å; M90-F94 PolarHBondContact O-N 2.89Å; M90-Q177 HydrophobicContact CB-CG 4.47Å; M90-V178 VanDerWaalsContact CG-O 3.3Å; M90-V178 WeakPolarHBondContact CG-O 3.36Å; M90-T179 WeakPolarHBondContact CE-O 3.43Å; M90-L226 HydrophobicContact CE-CD2 3.82Å; M90-L226 HydrophobicContact CG-CD1 4.1Å; M90-L226 HydrophobicContact CG-CD2 4.19Å; M90-L226 HydrophobicContact CG-CG 4.4Å; M90-P228 HydrophobicContact CE-CB 4.48Å; M90-E233 HydrophobicContact CE-CB 4Å; M90-E233 WeakPolarHBondContact CE-O 3.49Å; M90-E233 HydrophobicContact CG-CB 4.47Å; M90-E233 HydrophobicContact CG-CG 4.25Å; M90-E233 HydrophobicContact SD-CB 3.84Å; M90-E233 HydrophobicContact SD-CG 3.81Å; M90-L236 HydrophobicContact CE-CB 3.89Å; M90-L236 HydrophobicContact SD-CB 4.16Å; M90-L236 HydrophobicContact SD-CD1 3.95Å; M90-L237 HydrophobicContact CE-CB 4.27Å
91	K	95.6	Very high	94.3	Very high	97 Å²	97	45 Å²	45	42%	0.422	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-60.5	-24.6	176.6	75	-173.7	-179.7	-156.8	0	115.4	R89 S93 F94 E229	R89-K91 VanDerWaalsContact C-N 3.25Å; R89-K91 HydrophobicContact CB-CG 4.13Å; R89-K91 VanDerWaalsContact NH2-CE 3.35Å; R89-K91 PolarHBondContact O-N 3.2Å; K91-S93 PolarHBondContact O-N 3.32Å; K91-F94 PolarHBondContact O-N 2.61Å; K91-E229 WeakPolarHBondContact CE-OE2 3.06Å; K91-E229 IonicContact NZ-OE1 3.44Å; K91-E229 IonicContact NZ-OE2 3.94Å; K91-E229 PolarHBondContact NZ-OE2 3.31Å
92	D	94.9	Very high	94	Very high	59 Å²	59	43.8 Å²	43.8	32%	0.316	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-69.6	-17.7	177.3	-58.2	-33.9	0	0	0	111.2	K88 R89 M90	K88-D92 HydrophobicContact CD-CB 4.42Å; R89-D92 IonicContact CZ-OD1 3.37Å; R89-D92 PolarHBondContact N-OD2 3.38Å; R89-D92 IonicContact NE-OD1 3.6Å; R89-D92 PolarHBondContact NE-OD1 3.4Å; R89-D92 IonicContact NE-OD2 3.67Å; R89-D92 PolarHBondContact NE-OD2 3.13Å; R89-D92 IonicContact NH2-OD1 3.5Å; R89-D92 PolarHBondContact NH2-OD1 2.85Å; R89-D92 VanDerWaalsContact NH2-OD1 3.17Å; R89-D92 WeakPolarHBondContact O-CB 3.14Å; R89-D92 PolarHBondContact O-N 3.03Å; M90-D92 PolarHBondContact O-N 2.88Å
93	S	96.2	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-110.1	-0.7	176.7	71.7	0	0	0	0	113.9	M90 K91 L95 V178	M90-S93 PolarHBondContact O-N 3Å; M90-S93 PolarHBondContact O-OG 3.04Å; K91-S93 PolarHBondContact O-N 3.32Å; S93-L95 PolarHBondContact O-N 2.87Å; S93-V178 WeakPolarHBondContact OG-CB 3.37Å; S93-V178 PolarHBondContact OG-N 3.39Å
94	F	96.3	Very high	93.5	Very high	99 Å²	99	41.7 Å²	41.7	43%	0.434	21%	0.214	S	C	.	.			trans	-66.1	128.8	-178.2	178.3	-92.5	0	0	0	110.7	M90 K91 E96 T175 G176 Q177	M90-F94 PolarHBondContact O-N 2.89Å; K91-F94 PolarHBondContact O-N 2.61Å; F94-E96 HydrophobicContact CE1-CB 4.46Å; F94-T175 HydrophobicContact CZ-CG2 4.25Å; F94-G176 CarbonylContact C-O 3.58Å; F94-G176 WeakPolarHBondContact CA-O 3.47Å; F94-Q177 HydrophobicContact CB-CB 4.33Å; F94-Q177 HydrophobicContact CD2-CB 4.37Å
95	L	93.3	Very high	93.2	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.094	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.6	178.1	-64.1	178.1	0	0	0	110.4	L42 S93 L133 I134 T175 G176	L42-L95 HydrophobicContact CD1-CD2 3.82Å; S93-L95 PolarHBondContact O-N 2.87Å; L95-L133 HydrophobicContact CD1-CB 4.21Å; L95-L133 HydrophobicContact CD1-CD2 3.78Å; L95-L133 HydrophobicContact CD1-CG 3.57Å; L95-I134 HydrophobicContact CB-CG1 4.36Å; L95-I134 HydrophobicContact CD1-CB 4.44Å; L95-I134 HydrophobicContact CD1-CG1 3.76Å; L95-I134 HydrophobicContact CG-CG1 4.29Å; L95-T175 CarbonylContact O-C 3.5Å; L95-T175 VanDerWaalsContact O-CA 3.3Å; L95-T175 WeakPolarHBondContact O-CA 3.47Å; L95-G176 PolarHBondContact N-O 2.85Å; L95-G176 PolarHBondContact O-N 3.27Å
96	E	94.1	Very high	92.8	Very high	51 Å²	51	47.1 Å²	47.1	24%	0.238	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.6	166.6	-175.2	174.6	124.1	0	0	108.7	F94 H98 K173 F174 T175	F94-E96 HydrophobicContact CE1-CB 4.46Å; E96-H98 IonicContact OE1-CD2 3.48Å; E96-H98 IonicContact OE1-CE1 3.73Å; E96-H98 IonicContact OE1-NE2 3.79Å; E96-H98 PolarHBondContact OE1-NE2 3.33Å; E96-K173 HydrophobicContact CG-CD 3.92Å; E96-K173 HydrophobicContact CG-CG 4.07Å; E96-F174 CarbonylContact C-O 3.55Å; E96-F174 WeakPolarHBondContact CA-O 3.48Å; E96-T175 HydrophobicContact CB-CG2 4.4Å; E96-T175 HydrophobicContact CG-CG2 4.1Å
97	V	92	Very high	92.5	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.1	-178.2	179.1	0	0	0	0	109.9	L42 V44 V47 L130 F174	L42-V97 HydrophobicContact CB-CB 4.49Å; L42-V97 HydrophobicContact CB-CG2 3.79Å; L42-V97 HydrophobicContact CD1-CG2 4.3Å; L42-V97 WeakPolarHBondContact O-CA 3.5Å; L42-V97 WeakPolarHBondContact O-CB 3.35Å; L42-V97 WeakPolarHBondContact O-CG1 3.24Å; V44-V97 HydrophobicContact CB-CG1 4.17Å; V47-V97 HydrophobicContact CG2-CG1 3.87Å; V47-V97 HydrophobicContact CG2-CG2 4.34Å; V97-L130 HydrophobicContact CB-CD2 3.78Å; V97-L130 HydrophobicContact CG1-CD2 3.81Å; V97-L130 HydrophobicContact CG2-CD2 3.34Å; V97-F174 HydrophobicContact CB-CB 4.36Å; V97-F174 PolarHBondContact N-O 3.43Å; V97-F174 PolarHBondContact O-N 3.26Å
98	H	92.1	Very high	92.3	Very high	9 Å²	9	43 Å²	43	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.4	-178	-65.5	176.8	0	0	0	111.4	M34 L41 L42 V44 E96	M34-H98 HydrophobicContact CE-CB 3.59Å; M34-H98 WeakPolarHBondContact CE-CD2 3.5Å; M34-H98 HydrophobicContact CG-CB 4.2Å; M34-H98 WeakPolarHBondContact CG-ND1 3.5Å; M34-H98 HydrophobicContact SD-CB 3.72Å; L41-H98 WeakPolarHBondContact CD1-CE1 3.41Å; L42-H98 PolarHBondContact O-N 3.39Å; L42-H98 VanDerWaalsContact O-N 3.12Å; V44-H98 PolarHBondContact N-O 2.84Å; E96-H98 IonicContact OE1-CD2 3.48Å; E96-H98 IonicContact OE1-CE1 3.73Å; E96-H98 IonicContact OE1-NE2 3.79Å; E96-H98 PolarHBondContact OE1-NE2 3.33Å
99	L	92.8	Very high	92	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	88.3	171.4	170.7	64.6	0	0	0	107.6	V44 L101 L107 Y111 I123 I172 F174	V44-L99 HydrophobicContact CG1-CB 4.42Å; V44-L99 HydrophobicContact CG1-CD1 3.63Å; L99-L101 VanDerWaalsContact C-N 3.25Å; L99-L101 HydrophobicContact CD1-CD2 3.74Å; L99-L101 HydrophobicContact CD1-CG 4.33Å; L99-L101 HydrophobicContact CD2-CD2 4.31Å; L99-L101 HydrophobicContact CD2-CG 4.3Å; L99-L101 HydrophobicContact CG-CD2 3.91Å; L99-L101 HydrophobicContact CG-CG 3.95Å; L99-L101 PolarHBondContact O-N 2.85Å; L99-L107 HydrophobicContact CD1-CD2 3.94Å; L99-L107 HydrophobicContact CD1-CG 4.5Å; L99-Y111 HydrophobicContact CD1-CD2 4.21Å; L99-Y111 HydrophobicContact CD1-CE1 4.13Å; L99-Y111 HydrophobicContact CD1-CE2 3.65Å; L99-Y111 HydrophobicContact CD2-CD1 4.4Å; L99-Y111 HydrophobicContact CD2-CE1 4.05Å; L99-I123 HydrophobicContact CD2-CD1 3.62Å; L99-I172 HydrophobicContact CB-CB 4.08Å; L99-I172 HydrophobicContact CB-CG2 4.44Å; L99-I172 HydrophobicContact CD2-CB 4.22Å; L99-I172 HydrophobicContact CD2-CD1 3.9Å; L99-I172 HydrophobicContact CD2-CG2 4.4Å; L99-I172 HydrophobicContact CG-CB 4.34Å; L99-I172 PolarHBondContact N-O 3.27Å; L99-I172 PolarHBondContact O-N 2.89Å; L99-F174 HydrophobicContact CB-CD2 4.48Å; L99-F174 HydrophobicContact CB-CE2 3.8Å; L99-F174 HydrophobicContact CD2-CE2 3.97Å; L99-F174 HydrophobicContact CD2-CZ 4.19Å
100	P	91.1	Very high	91.8	Very high	4 Å²	4	49 Å²	49	3%	0.026	24%	0.237	C	C	.	.			trans	-80.3	65.8	-171.1	32.8	-36.8	0	0	0	111.8	M34 H43 G102 S103 E104 L107 D171	M34-P100 HydrophobicContact SD-CB 4.32Å; H43-P100 WeakPolarHBondContact NE2-CD 3.38Å; H43-P100 WeakPolarHBondContact NE2-CG 3.38Å; P100-G102 VanDerWaalsContact C-N 3.33Å; P100-G102 PolarHBondContact O-N 3.05Å; P100-S103 PolarHBondContact O-N 3.5Å; P100-E104 HydrophobicContact CB-CG 4.2Å; P100-E104 HydrophobicContact CG-CB 4.25Å; P100-E104 HydrophobicContact CG-CG 3.82Å; P100-E104 WeakPolarHBondContact O-CB 3.4Å; P100-E104 PolarHBondContact O-N 3.5Å; P100-L107 HydrophobicContact CG-CD2 3.97Å; P100-D171 WeakPolarHBondContact CA-OD1 3.17Å
101	L	91.1	Very high	91.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-43.3	178.5	-60.7	-175	0	0	0	111.6	L99 R108 Y111 V118 P168 D171 I172	L99-L101 VanDerWaalsContact C-N 3.25Å; L99-L101 HydrophobicContact CD1-CD2 3.74Å; L99-L101 HydrophobicContact CD1-CG 4.33Å; L99-L101 HydrophobicContact CD2-CD2 4.31Å; L99-L101 HydrophobicContact CD2-CG 4.3Å; L99-L101 HydrophobicContact CG-CD2 3.91Å; L99-L101 HydrophobicContact CG-CG 3.95Å; L99-L101 PolarHBondContact O-N 2.85Å; L101-R108 HydrophobicContact CB-CG 4.44Å; L101-R108 PolarHBondContact O-NE 2.81Å; L101-R108 PolarHBondContact O-NH2 3.24Å; L101-Y111 HydrophobicContact CD2-CD2 3.79Å; L101-Y111 HydrophobicContact CD2-CE2 4.5Å; L101-Y111 HydrophobicContact CD2-CG 3.87Å; L101-V118 HydrophobicContact CD1-CG2 3.91Å; L101-P168 WeakPolarHBondContact CB-O 3.31Å; L101-D171 PolarHBondContact N-OD1 3.3Å; L101-I172 HydrophobicContact CD1-CD1 3.54Å; L101-I172 HydrophobicContact CD1-CG1 4.49Å; L101-I172 HydrophobicContact CG-CD1 4.22Å
102	G	87.8	Confident	91.5	Very high	4 Å²	4	46.2 Å²	46.2	4%	0.041	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-36.5	179.6	0	0	0	0	0	113.5	Q30 P100 R108 D169 D171	Q30-G102 PolarHBondContact NE2-O 3.32Å; P100-G102 VanDerWaalsContact C-N 3.33Å; P100-G102 PolarHBondContact O-N 3.05Å; G102-R108 VanDerWaalsContact C-NH2 3.34Å; G102-R108 VanDerWaalsContact CA-NH2 3.32Å; G102-R108 PolarHBondContact O-NH2 2.94Å; G102-D169 VanDerWaalsContact CA-C 3.49Å; G102-D169 WeakPolarHBondContact CA-O 3.3Å; G102-D171 VanDerWaalsContact CA-OD1 3.23Å; G102-D171 WeakPolarHBondContact CA-OD1 3.18Å; G102-D171 PolarHBondContact N-OD1 2.97Å
103	S	86.8	Confident	91.2	Very high	31 Å²	31	45.4 Å²	45.4	22%	0.217	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-27.7	-176.6	-63	0	0	0	0	113.8	P100 P105 D171	P100-S103 PolarHBondContact O-N 3.5Å; S103-P105 WeakPolarHBondContact O-CD 3.37Å; S103-D171 PolarHBondContact N-OD1 3.43Å; S103-D171 PolarHBondContact OG-OD2 3.02Å
104	E	88.9	Confident	90.7	Very high	86 Å²	86	52 Å²	52	40%	0.402	26%	0.259	S	S	.	.			trans	-121.2	93.1	-178.7	-64.6	-172.2	-173.1	0	0	113.3	H43 P100 E106 L107 R108	H43-E104 IonicContact CE1-OE2 3.61Å; H43-E104 IonicContact NE2-OE1 3.3Å; H43-E104 IonicContact NE2-OE2 2.65Å; H43-E104 PolarHBondContact NE2-OE2 2.72Å; P100-E104 HydrophobicContact CB-CG 4.2Å; P100-E104 HydrophobicContact CG-CB 4.25Å; P100-E104 HydrophobicContact CG-CG 3.82Å; P100-E104 WeakPolarHBondContact O-CB 3.4Å; P100-E104 PolarHBondContact O-N 3.5Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E104-E106 PolarHBondContact O-N 2.91Å; E104-L107 HydrophobicContact CB-CB 3.94Å; E104-L107 PolarHBondContact O-N 3.47Å; E104-R108 PolarHBondContact O-N 3.13Å; E104-R108 VanDerWaalsContact O-N 3.09Å
105	P	87.7	Confident	90.1	Very high	81 Å²	81	51.1 Å²	51.1	53%	0.526	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-36.3	179.9	-26	35.3	0	0	0	114.7	S103 L107 R108 E109	S103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-L107 VanDerWaalsContact C-N 3.33Å; P105-L107 PolarHBondContact O-N 3.33Å; P105-R108 VanDerWaalsContact O-CB 3.25Å; P105-R108 WeakPolarHBondContact O-CB 3.18Å; P105-R108 PolarHBondContact O-N 2.89Å; P105-E109 PolarHBondContact O-N 2.87Å
106	E	88.5	Confident	89.8	Confident	178 Å²	178	55.3 Å²	55.3	83%	0.832	28%	0.278	S	S	*	.	H	α-helix	trans	-66.3	-35.9	179.6	-64.3	-175.8	-177.7	0	0	112.5	E104	E104-E106 VanDerWaalsContact C-N 3.35Å; E104-E106 PolarHBondContact O-N 2.91Å
107	L	88.8	Confident	89.6	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.063	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-42.3	173.3	-179.8	66.7	0	0	0	110.4	H43 L99 P100 E104 P105 E109 K110 Y111	H43-L107 VanDerWaalsContact CE1-CD2 3.44Å; H43-L107 WeakPolarHBondContact CE1-CD2 3.46Å; L99-L107 HydrophobicContact CD1-CD2 3.94Å; L99-L107 HydrophobicContact CD1-CG 4.5Å; P100-L107 HydrophobicContact CG-CD2 3.97Å; E104-L107 HydrophobicContact CB-CB 3.94Å; E104-L107 PolarHBondContact O-N 3.47Å; P105-L107 VanDerWaalsContact C-N 3.33Å; P105-L107 PolarHBondContact O-N 3.33Å; L107-E109 PolarHBondContact O-N 2.86Å; L107-K110 HydrophobicContact CD1-CD 4.49Å; L107-K110 WeakPolarHBondContact O-CB 3.43Å; L107-K110 PolarHBondContact O-N 2.95Å; L107-Y111 HydrophobicContact CD1-CE2 4.11Å; L107-Y111 HydrophobicContact CG-CE2 4.26Å
108	R	91.6	Very high	89.7	Confident	47 Å²	47	56.9 Å²	56.9	18%	0.177	29%	0.291	C	S	.	.	H	α-helix	trans	-53.4	-38.6	-178.8	-167.8	-168.2	-56.4	-171.7	2.3	112.9	L101 G102 E104 P105 K110 Y111 L112 P168	L101-R108 HydrophobicContact CB-CG 4.44Å; L101-R108 PolarHBondContact O-NE 2.81Å; L101-R108 PolarHBondContact O-NH2 3.24Å; G102-R108 VanDerWaalsContact C-NH2 3.34Å; G102-R108 VanDerWaalsContact CA-NH2 3.32Å; G102-R108 PolarHBondContact O-NH2 2.94Å; E104-R108 PolarHBondContact O-N 3.13Å; E104-R108 VanDerWaalsContact O-N 3.09Å; P105-R108 VanDerWaalsContact O-CB 3.25Å; P105-R108 WeakPolarHBondContact O-CB 3.18Å; P105-R108 PolarHBondContact O-N 2.89Å; R108-K110 PolarHBondContact O-N 2.96Å; R108-K110 VanDerWaalsContact O-N 3.09Å; R108-Y111 CarbonylContact O-C 3.51Å; R108-Y111 WeakPolarHBondContact O-CA 3.23Å; R108-Y111 PolarHBondContact O-N 3.46Å; R108-L112 HydrophobicContact CG-CD1 3.79Å; R108-L112 HydrophobicContact CG-CG 3.92Å; R108-L112 WeakPolarHBondContact O-CG 3.18Å; R108-L112 PolarHBondContact O-N 2.87Å; R108-P168 WeakPolarHBondContact CD-O 3.26Å; R108-P168 WeakPolarHBondContact CG-O 3.49Å; R108-P168 PolarHBondContact NE-O 3.23Å
109	E	90.8	Very high	89.7	Confident	135 Å²	135	59.9 Å²	59.9	63%	0.631	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-33.7	176.8	-69.9	-59.5	144.3	0	0	113.1	P105 L107 Y111	P105-E109 PolarHBondContact O-N 2.87Å; L107-E109 PolarHBondContact O-N 2.86Å; E109-Y111 PolarHBondContact O-N 3.43Å
110	K	90.5	Very high	89.8	Confident	117 Å²	117	60.3 Å²	60.3	51%	0.509	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.5	178.6	-61.6	178.2	-174.5	166.5	0	113.2	L107 R108	L107-K110 HydrophobicContact CD1-CD 4.49Å; L107-K110 WeakPolarHBondContact O-CB 3.43Å; L107-K110 PolarHBondContact O-N 2.95Å; R108-K110 PolarHBondContact O-N 2.96Å; R108-K110 VanDerWaalsContact O-N 3.09Å
111	Y	93.8	Very high	90	Very high	10 Å²	10	60.1 Å²	60.1	4%	0.039	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-8.6	-177.2	-67.1	-94	0	0	0	112.6	L99 L101 L107 R108 E109 V118 R119 R122 I123 D126	L99-Y111 HydrophobicContact CD1-CD2 4.21Å; L99-Y111 HydrophobicContact CD1-CE1 4.13Å; L99-Y111 HydrophobicContact CD1-CE2 3.65Å; L99-Y111 HydrophobicContact CD2-CD1 4.4Å; L99-Y111 HydrophobicContact CD2-CE1 4.05Å; L101-Y111 HydrophobicContact CD2-CD2 3.79Å; L101-Y111 HydrophobicContact CD2-CE2 4.5Å; L101-Y111 HydrophobicContact CD2-CG 3.87Å; L107-Y111 HydrophobicContact CD1-CE2 4.11Å; L107-Y111 HydrophobicContact CG-CE2 4.26Å; R108-Y111 CarbonylContact O-C 3.51Å; R108-Y111 WeakPolarHBondContact O-CA 3.23Å; R108-Y111 PolarHBondContact O-N 3.46Å; E109-Y111 PolarHBondContact O-N 3.43Å; Y111-V118 CarbonylContact O-C 3.51Å; Y111-V118 WeakPolarHBondContact O-CA 3.35Å; Y111-R119 WeakPolarHBondContact O-CB 3.34Å; Y111-R119 WeakPolarHBondContact O-CG 3.43Å; Y111-R119 PolarHBondContact O-N 2.79Å; Y111-R122 HydrophobicContact CD1-CB 3.68Å; Y111-R122 HydrophobicContact CE1-CB 3.71Å; Y111-I123 HydrophobicContact CD1-CD1 4.04Å; Y111-I123 HydrophobicContact CE1-CD1 4.09Å; Y111-D126 WeakPolarHBondContact CE1-OD2 3.42Å; Y111-D126 VanDerWaalsContact CZ-OD2 3.22Å; Y111-D126 PolarHBondContact OH-OD1 3.14Å; Y111-D126 PolarHBondContact OH-OD2 3.22Å
112	L	92.4	Very high	90.1	Very high	28 Å²	28	62.3 Å²	62.3	15%	0.147	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-80.1	141.6	-178.8	-83.2	168.3	0	0	0	112.9	R108 N116 R119 P168	R108-L112 HydrophobicContact CG-CD1 3.79Å; R108-L112 HydrophobicContact CG-CG 3.92Å; R108-L112 WeakPolarHBondContact O-CG 3.18Å; R108-L112 PolarHBondContact O-N 2.87Å; L112-N116 WeakPolarHBondContact CD2-OD1 3.36Å; L112-R119 VanDerWaalsContact O-CD 3.24Å; L112-R119 WeakPolarHBondContact O-CD 3.45Å; L112-P168 HydrophobicContact CD2-CB 3.44Å; L112-P168 VanDerWaalsContact CD2-CB 3.44Å; L112-P168 HydrophobicContact CD2-CG 4.04Å; L112-P168 HydrophobicContact CG-CB 4.43Å
113	T	88.6	Confident	90.5	Very high	42 Å²	42	62.1 Å²	62.1	26%	0.258	31%	0.309	S	S	.	.			trans	-89.3	164.7	158.6	70.2	0	0	0	0	109.8	H115 N116 T117 R119	T113-H115 PolarHBondContact O-N 3.4Å; T113-H115 PolarHBondContact OG1-N 3.28Å; T113-N116 PolarHBondContact O-N 3.28Å; T113-N116 VanDerWaalsContact O-N 3.13Å; T113-T117 WeakPolarHBondContact CG2-O 3.38Å; T113-T117 WeakPolarHBondContact CG2-OG1 3.27Å; T113-T117 PolarHBondContact N-O 3.44Å; T113-T117 PolarHBondContact OG1-N 3.49Å; T113-T117 VanDerWaalsContact OG1-N 3.1Å; T113-T117 PolarHBondContact OG1-O 2.92Å; T113-T117 PolarHBondContact OG1-OG1 3.37Å; T113-R119 HydrophobicContact CG2-CG 3.62Å
114	N	85.4	Confident	90.9	Very high	139 Å²	139	60.6 Å²	60.6	74%	0.743	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-8	170.3	66.5	-20.7	0	0	0	114.2
115	H	84	Confident	91.1	Very high	79 Å²	79	57 Å²	57	37%	0.366	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	15.2	179	-63	-42.2	0	0	0	112.6	T113 T117 R341	T113-H115 PolarHBondContact O-N 3.4Å; T113-H115 PolarHBondContact OG1-N 3.28Å; H115-T117 VanDerWaalsContact C-N 3.3Å; H115-T117 PolarHBondContact O-N 3.15Å; H115-R341 PolarHBondContact CD2-NE 3.05Å; H115-R341 PolarHBondContact CE1-NH2 3Å; H115-R341 PolarHBondContact ND1-NH2 3.07Å; H115-R341 PolarHBondContact NE2-NE 3.09Å; H115-R341 PolarHBondContact NE2-NH2 3.3Å; H115-R341 VanDerWaalsContact NE2-NH2 3.11Å
116	N	86.9	Confident	91.4	Very high	106 Å²	106	53.6 Å²	53.6	57%	0.567	26%	0.259	S	S	*	.	S	Bend	trans	57.4	43.3	-179.4	-155.1	41.5	0	0	0	112.4	L112 T113 P168	L112-N116 WeakPolarHBondContact CD2-OD1 3.36Å; T113-N116 PolarHBondContact O-N 3.28Å; T113-N116 VanDerWaalsContact O-N 3.13Å; N116-P168 WeakPolarHBondContact O-CG 3.37Å
117	T	90.4	Very high	91.7	Very high	70 Å²	70	45.1 Å²	45.1	43%	0.429	22%	0.22	S	C	.	.			trans	-121.6	162.5	170.9	64.2	0	0	0	0	110.1	T113 H115	T113-T117 WeakPolarHBondContact CG2-O 3.38Å; T113-T117 WeakPolarHBondContact CG2-OG1 3.27Å; T113-T117 PolarHBondContact N-O 3.44Å; T113-T117 PolarHBondContact OG1-N 3.49Å; T113-T117 VanDerWaalsContact OG1-N 3.1Å; T113-T117 PolarHBondContact OG1-O 2.92Å; T113-T117 PolarHBondContact OG1-OG1 3.37Å; H115-T117 VanDerWaalsContact C-N 3.3Å; H115-T117 PolarHBondContact O-N 3.15Å
118	V	92.8	Very high	92	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.097	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-78.9	132.8	177.3	176.8	0	0	0	0	111.2	L101 Y111 F120 I123 I166 P168	L101-V118 HydrophobicContact CD1-CG2 3.91Å; Y111-V118 CarbonylContact O-C 3.51Å; Y111-V118 WeakPolarHBondContact O-CA 3.35Å; V118-F120 PolarHBondContact O-N 2.86Å; V118-I123 HydrophobicContact CG1-CD1 4.12Å; V118-I123 HydrophobicContact CG1-CG1 3.92Å; V118-I166 HydrophobicContact CB-CB 4.09Å; V118-I166 HydrophobicContact CB-CG2 3.99Å; V118-I166 HydrophobicContact CG1-CG2 4.22Å; V118-I166 HydrophobicContact CG2-CB 4.2Å; V118-I166 HydrophobicContact CG2-CG2 3.76Å; V118-P168 HydrophobicContact CG2-CB 3.92Å
119	R	93.8	Very high	92	Very high	73 Å²	73	42.5 Å²	42.5	28%	0.275	21%	0.21	S	C	.	.			trans	-70.5	90.1	170.7	-69	177.2	65.8	178.2	7.3	109.6	Y111 L112 T113 G121 R122 E328	Y111-R119 WeakPolarHBondContact O-CB 3.34Å; Y111-R119 WeakPolarHBondContact O-CG 3.43Å; Y111-R119 PolarHBondContact O-N 2.79Å; L112-R119 VanDerWaalsContact O-CD 3.24Å; L112-R119 WeakPolarHBondContact O-CD 3.45Å; T113-R119 HydrophobicContact CG2-CG 3.62Å; R119-G121 PolarHBondContact O-N 3.17Å; R119-G121 VanDerWaalsContact O-N 3.13Å; R119-R122 HydrophobicContact CB-CB 4.39Å; R119-R122 HydrophobicContact CB-CG 3.91Å; R119-R122 WeakPolarHBondContact O-CB 3.35Å; R119-R122 PolarHBondContact O-N 2.88Å; R119-E328 IonicContact CZ-OE1 3.85Å; R119-E328 IonicContact NE-OE1 2.87Å; R119-E328 IonicContact NH2-OE1 3.25Å; R119-E328 PolarHBondContact NH2-OE1 3.44Å
120	F	94.6	Very high	92.2	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.035	18%	0.181	C	C	.	.	H	α-helix	trans	-54.6	-34.3	-179.5	-173.4	-99.4	0	0	0	113.8	V118 R122 I123 L124 M161 I166 L204 Y327 L344 V347	V118-F120 PolarHBondContact O-N 2.86Å; F120-R122 PolarHBondContact O-N 3.15Å; F120-R122 VanDerWaalsContact O-N 3.14Å; F120-I123 HydrophobicContact CD2-CB 4.44Å; F120-I123 WeakPolarHBondContact O-CA 3.36Å; F120-I123 WeakPolarHBondContact O-CB 3.5Å; F120-I123 PolarHBondContact O-N 3.11Å; F120-L124 HydrophobicContact CD1-CD1 3.97Å; F120-L124 HydrophobicContact CD1-CG 3.93Å; F120-L124 HydrophobicContact CE1-CD1 3.75Å; F120-L124 HydrophobicContact CE1-CD2 3.64Å; F120-L124 HydrophobicContact CE1-CG 3.54Å; F120-L124 HydrophobicContact CZ-CD2 3.99Å; F120-L124 HydrophobicContact CZ-CG 4.24Å; F120-L124 PolarHBondContact O-N 2.68Å; F120-M161 HydrophobicContact CD2-CE 4.49Å; F120-M161 HydrophobicContact CD2-SD 4.49Å; F120-M161 HydrophobicContact CE2-CE 4.01Å; F120-M161 HydrophobicContact CE2-SD 3.61Å; F120-M161 HydrophobicContact CZ-SD 3.9Å; F120-I166 HydrophobicContact CD2-CD1 3.84Å; F120-I166 HydrophobicContact CE2-CD1 4.34Å; F120-L204 HydrophobicContact CE2-CD2 3.66Å; F120-L204 HydrophobicContact CZ-CD2 4.08Å; F120-Y327 HydrophobicContact CB-CE1 3.8Å; F120-Y327 HydrophobicContact CB-CE2 4.38Å; F120-Y327 AromaticContact CD1-CD2 3.95Å; F120-Y327 HydrophobicContact CD1-CD2 3.95Å; F120-Y327 HydrophobicContact CD1-CE1 4.34Å; F120-Y327 AromaticContact CD1-CE2 3.66Å; F120-Y327 HydrophobicContact CD1-CE2 3.66Å; F120-Y327 HydrophobicContact CD1-CG 4.4Å; F120-Y327 AromaticContact CD1-CZ 3.89Å; F120-Y327 HydrophobicContact CE1-CE2 4.45Å; F120-Y327 HydrophobicContact CG-CE2 4.38Å; F120-L344 HydrophobicContact CD1-CD2 3.36Å; F120-L344 HydrophobicContact CD2-CD2 4.08Å; F120-L344 HydrophobicContact CE1-CD2 3.18Å; F120-L344 HydrophobicContact CE2-CD2 3.94Å; F120-L344 HydrophobicContact CG-CD2 3.8Å; F120-L344 HydrophobicContact CZ-CD2 3.49Å; F120-L344 VanDerWaalsContact CZ-CD2 3.49Å; F120-V347 HydrophobicContact CE1-CG2 3.84Å; F120-V347 HydrophobicContact CZ-CG2 4.41Å
121	G	94.6	Very high	92.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-57.9	-27.2	173.7	0	0	0	0	0	114.3	R119 E125 R324	R119-G121 PolarHBondContact O-N 3.17Å; R119-G121 VanDerWaalsContact O-N 3.13Å; G121-E125 PolarHBondContact O-N 3.38Å; G121-R324 VanDerWaalsContact O-CB 3.31Å; G121-R324 WeakPolarHBondContact O-CB 3.35Å
122	R	93.9	Very high	92.4	Very high	45 Å²	45	30.7 Å²	30.7	17%	0.17	16%	0.157	C	C	.	.	H	α-helix	trans	-75.4	-34.4	172.5	-62.5	-69.2	-85.4	165.7	-3.1	111.9	Y111 R119 F120 E125 D126	Y111-R122 HydrophobicContact CD1-CB 3.68Å; Y111-R122 HydrophobicContact CE1-CB 3.71Å; R119-R122 HydrophobicContact CB-CB 4.39Å; R119-R122 HydrophobicContact CB-CG 3.91Å; R119-R122 WeakPolarHBondContact O-CB 3.35Å; R119-R122 PolarHBondContact O-N 2.88Å; F120-R122 PolarHBondContact O-N 3.15Å; F120-R122 VanDerWaalsContact O-N 3.14Å; R122-E125 IonicContact CZ-OE2 3.99Å; R122-E125 VanDerWaalsContact NH1-CD 3.32Å; R122-E125 IonicContact NH1-OE1 2.62Å; R122-E125 PolarHBondContact NH1-OE1 2.91Å; R122-E125 IonicContact NH1-OE2 3.66Å; R122-E125 PolarHBondContact NH1-OE2 3.31Å; R122-E125 WeakPolarHBondContact O-CB 3.23Å; R122-E125 PolarHBondContact O-N 3.35Å; R122-D126 PolarHBondContact O-N 3.15Å
123	I	95	Very high	92.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-43.1	172.8	-56.2	-61.2	0	0	0	110.5	L99 Y111 V118 F120 E125 D126 L127 I172 F174 M192	L99-I123 HydrophobicContact CD2-CD1 3.62Å; Y111-I123 HydrophobicContact CD1-CD1 4.04Å; Y111-I123 HydrophobicContact CE1-CD1 4.09Å; V118-I123 HydrophobicContact CG1-CD1 4.12Å; V118-I123 HydrophobicContact CG1-CG1 3.92Å; F120-I123 HydrophobicContact CD2-CB 4.44Å; F120-I123 WeakPolarHBondContact O-CA 3.36Å; F120-I123 WeakPolarHBondContact O-CB 3.5Å; F120-I123 PolarHBondContact O-N 3.11Å; I123-E125 VanDerWaalsContact C-N 3.27Å; I123-E125 PolarHBondContact O-N 3.09Å; I123-D126 PolarHBondContact O-N 2.91Å; I123-D126 VanDerWaalsContact O-N 3.15Å; I123-L127 HydrophobicContact CG2-CD1 4.18Å; I123-L127 HydrophobicContact CG2-CG 4.37Å; I123-L127 WeakPolarHBondContact O-CG 3.28Å; I123-L127 PolarHBondContact O-N 2.84Å; I123-I172 HydrophobicContact CD1-CD1 4.47Å; I123-F174 HydrophobicContact CD1-CZ 4.45Å; I123-F174 HydrophobicContact CG2-CE1 4.24Å; I123-F174 HydrophobicContact CG2-CZ 4.25Å; I123-M192 HydrophobicContact CD1-CE 4.39Å; I123-M192 HydrophobicContact CG2-CE 4.14Å; I123-M192 HydrophobicContact CG2-SD 3.79Å
124	L	95.1	Very high	92.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.1	-38.5	173.3	-69.2	176.7	0	0	0	112.4	F120 D126 D128 I159 M323 Y327	F120-L124 HydrophobicContact CD1-CD1 3.97Å; F120-L124 HydrophobicContact CD1-CG 3.93Å; F120-L124 HydrophobicContact CE1-CD1 3.75Å; F120-L124 HydrophobicContact CE1-CD2 3.64Å; F120-L124 HydrophobicContact CE1-CG 3.54Å; F120-L124 HydrophobicContact CZ-CD2 3.99Å; F120-L124 HydrophobicContact CZ-CG 4.24Å; F120-L124 PolarHBondContact O-N 2.68Å; L124-D126 VanDerWaalsContact C-N 3.34Å; L124-D128 PolarHBondContact O-N 3.11Å; L124-D128 VanDerWaalsContact O-N 3.09Å; L124-I159 HydrophobicContact CD2-CD1 3.88Å; L124-M323 HydrophobicContact CB-CB 4.21Å; L124-M323 HydrophobicContact CD1-CB 4.23Å; L124-Y327 HydrophobicContact CD1-CG 4.44Å
125	E	93.4	Very high	93.5	Very high	10 Å²	10	20.9 Å²	20.9	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-36.3	176.7	-167.1	-177.5	160.2	0	0	112.3	R48 G121 R122 I123 S129 F318 R324	R48-E125 IonicContact CZ-OE1 3.73Å; R48-E125 IonicContact NH1-OE1 3.17Å; R48-E125 IonicContact NH2-OE1 2.69Å; R48-E125 PolarHBondContact NH2-OE1 2.99Å; G121-E125 PolarHBondContact O-N 3.38Å; R122-E125 IonicContact CZ-OE2 3.99Å; R122-E125 VanDerWaalsContact NH1-CD 3.32Å; R122-E125 IonicContact NH1-OE1 2.62Å; R122-E125 PolarHBondContact NH1-OE1 2.91Å; R122-E125 IonicContact NH1-OE2 3.66Å; R122-E125 PolarHBondContact NH1-OE2 3.31Å; R122-E125 WeakPolarHBondContact O-CB 3.23Å; R122-E125 PolarHBondContact O-N 3.35Å; I123-E125 VanDerWaalsContact C-N 3.27Å; I123-E125 PolarHBondContact O-N 3.09Å; E125-S129 PolarHBondContact O-N 2.79Å; E125-S129 PolarHBondContact O-OG 2.88Å; E125-F318 HydrophobicContact CG-CD1 4.09Å; E125-F318 HydrophobicContact CG-CE1 3.83Å; E125-F318 WeakPolarHBondContact O-CE1 3.12Å; E125-R324 WeakPolarHBondContact OE2-CD 3.29Å; E125-R324 IonicContact OE2-CZ 3.71Å; E125-R324 IonicContact OE2-NE 3.41Å; E125-R324 PolarHBondContact OE2-NE 3.24Å
126	D	93.9	Very high	94	Very high	10 Å²	10	17.2 Å²	17.2	5%	0.053	9%	0.086	C	C	.	.	H	α-helix	trans	-72.7	-44.9	175.4	-67.4	-23.8	0	0	0	111.7	V44 Y111 R122 I123 L124 D128 S129 L130	V44-D126 HydrophobicContact CG2-CB 3.95Å; Y111-D126 WeakPolarHBondContact CE1-OD2 3.42Å; Y111-D126 VanDerWaalsContact CZ-OD2 3.22Å; Y111-D126 PolarHBondContact OH-OD1 3.14Å; Y111-D126 PolarHBondContact OH-OD2 3.22Å; R122-D126 PolarHBondContact O-N 3.15Å; I123-D126 PolarHBondContact O-N 2.91Å; I123-D126 VanDerWaalsContact O-N 3.15Å; L124-D126 VanDerWaalsContact C-N 3.34Å; D126-D128 VanDerWaalsContact C-N 3.29Å; D126-D128 PolarHBondContact O-N 3.45Å; D126-S129 WeakPolarHBondContact O-CA 3.23Å; D126-S129 WeakPolarHBondContact O-CB 3.47Å; D126-S129 PolarHBondContact O-N 3.47Å; D126-L130 VanDerWaalsContact O-CG 3.27Å; D126-L130 WeakPolarHBondContact O-CG 3.14Å; D126-L130 PolarHBondContact O-N 3.3Å
127	L	95.3	Very high	94.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-55.8	-43.1	175.6	-72.3	171.3	0	0	0	111.7	I123 S129 L130 A131 F174 M190 L204 A206 F208	I123-L127 HydrophobicContact CG2-CD1 4.18Å; I123-L127 HydrophobicContact CG2-CG 4.37Å; I123-L127 WeakPolarHBondContact O-CG 3.28Å; I123-L127 PolarHBondContact O-N 2.84Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-S129 PolarHBondContact O-N 2.7Å; L127-L130 PolarHBondContact O-N 3.25Å; L127-A131 PolarHBondContact O-N 3.46Å; L127-F174 HydrophobicContact CD2-CD1 3.85Å; L127-F174 HydrophobicContact CD2-CE1 3.85Å; L127-F174 HydrophobicContact CG-CE1 4.38Å; L127-M190 HydrophobicContact CB-CE 4.32Å; L127-M190 HydrophobicContact CD2-CB 4.43Å; L127-M190 HydrophobicContact CD2-CE 4.28Å; L127-M190 HydrophobicContact CD2-SD 4.2Å; L127-M190 WeakPolarHBondContact O-CE 3.09Å; L127-L204 HydrophobicContact CD1-CD1 4.09Å; L127-A206 HydrophobicContact CD1-CB 4.21Å; L127-F208 HydrophobicContact CB-CE2 3.98Å; L127-F208 HydrophobicContact CB-CZ 3.82Å
128	D	94.4	Very high	94.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.3	-41.5	174.7	-166.1	58.5	0	0	0	111.8	L124 D126 L130 A131 V132 T153 F208 F318 G319 G320 M323	L124-D128 PolarHBondContact O-N 3.11Å; L124-D128 VanDerWaalsContact O-N 3.09Å; D126-D128 VanDerWaalsContact C-N 3.29Å; D126-D128 PolarHBondContact O-N 3.45Å; D128-L130 VanDerWaalsContact C-N 3.31Å; D128-L130 PolarHBondContact O-N 2.74Å; D128-A131 PolarHBondContact O-N 3.32Å; D128-V132 VanDerWaalsContact O-CG2 3.3Å; D128-V132 WeakPolarHBondContact O-CG2 3.44Å; D128-V132 PolarHBondContact O-N 2.88Å; D128-V132 VanDerWaalsContact O-N 3.15Å; D128-T153 WeakPolarHBondContact OD1-CB 3.48Å; D128-T153 WeakPolarHBondContact OD1-CG2 3.39Å; D128-T153 PolarHBondContact OD1-OG1 2.96Å; D128-F208 HydrophobicContact CB-CE1 4Å; D128-F318 HydrophobicContact CB-CE1 4.12Å; D128-F318 HydrophobicContact CB-CE2 4.47Å; D128-F318 HydrophobicContact CB-CZ 3.74Å; D128-F318 WeakPolarHBondContact OD2-CE2 3.37Å; D128-F318 WeakPolarHBondContact OD2-CZ 3.46Å; D128-G319 WeakPolarHBondContact OD2-CA 3.18Å; D128-G319 PolarHBondContact OD2-N 3.37Å; D128-G320 VanDerWaalsContact CG-N 3.33Å; D128-G320 PolarHBondContact OD2-N 3.08Å; D128-M323 HydrophobicContact CB-CE 3.66Å
129	S	92.4	Very high	94.8	Very high	4 Å²	4	9.3 Å²	9.3	3%	0.028	4%	0.042	C	C	.	.	H	α-helix	trans	-66.3	-37.8	179	-57.8	0	0	0	0	111.2	E125 D126 L127 L133 F318	E125-S129 PolarHBondContact O-N 2.79Å; E125-S129 PolarHBondContact O-OG 2.88Å; D126-S129 WeakPolarHBondContact O-CA 3.23Å; D126-S129 WeakPolarHBondContact O-CB 3.47Å; D126-S129 PolarHBondContact O-N 3.47Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-S129 PolarHBondContact O-N 2.7Å; S129-L133 PolarHBondContact O-N 2.86Å; S129-F318 WeakPolarHBondContact OG-CZ 3.35Å
130	L	94.3	Very high	94.8	Very high	5 Å²	5	12.1 Å²	12.1	3%	0.026	5%	0.054	C	C	.	.	H	α-helix	trans	-68.5	-43.9	177.3	-68.9	174.8	0	0	0	111.8	V47 V97 D126 L127 D128 V132 L133 I134 F174 M190	V47-L130 HydrophobicContact CG1-CD2 4.18Å; V47-L130 HydrophobicContact CG2-CD2 3.74Å; V97-L130 HydrophobicContact CB-CD2 3.78Å; V97-L130 HydrophobicContact CG1-CD2 3.81Å; V97-L130 HydrophobicContact CG2-CD2 3.34Å; D126-L130 VanDerWaalsContact O-CG 3.27Å; D126-L130 WeakPolarHBondContact O-CG 3.14Å; D126-L130 PolarHBondContact O-N 3.3Å; L127-L130 PolarHBondContact O-N 3.25Å; D128-L130 VanDerWaalsContact C-N 3.31Å; D128-L130 PolarHBondContact O-N 2.74Å; L130-V132 VanDerWaalsContact C-N 3.29Å; L130-V132 PolarHBondContact O-N 2.86Å; L130-L133 PolarHBondContact O-N 2.87Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.12Å; L130-F174 HydrophobicContact CD1-CB 3.69Å; L130-F174 HydrophobicContact CD1-CD1 4.06Å; L130-F174 HydrophobicContact CD1-CD2 3.91Å; L130-F174 HydrophobicContact CD1-CG 3.62Å; L130-M190 HydrophobicContact CB-SD 3.58Å; L130-M190 VanDerWaalsContact CB-SD 3.58Å
131	A	96	Very high	94.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.3	-41.7	175.5	0	0	0	0	0	112.1	L127 D128 S135 A188 M190 F208 M210	L127-A131 PolarHBondContact O-N 3.46Å; D128-A131 PolarHBondContact O-N 3.32Å; A131-S135 WeakPolarHBondContact O-CB 3.43Å; A131-S135 PolarHBondContact O-N 3.41Å; A131-S135 VanDerWaalsContact O-N 3.08Å; A131-S135 PolarHBondContact O-OG 3.33Å; A131-A188 HydrophobicContact CB-CB 4.4Å; A131-M190 HydrophobicContact CB-CE 3.8Å; A131-M190 HydrophobicContact CB-SD 4.41Å; A131-F208 HydrophobicContact CB-CB 3.54Å; A131-F208 HydrophobicContact CB-CD1 3.71Å; A131-F208 HydrophobicContact CB-CD2 4.44Å; A131-F208 HydrophobicContact CB-CG 3.66Å; A131-M210 HydrophobicContact CB-CE 4.42Å; A131-M210 HydrophobicContact CB-CG 4.38Å; A131-M210 HydrophobicContact CB-SD 3.82Å
132	V	94.1	Very high	94.4	Very high	8 Å²	8	19.9 Å²	19.9	5%	0.048	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-45	173.5	178.5	0	0	0	0	110.5	L51 D128 L130 S135 Y136 M210 I313	L51-V132 HydrophobicContact CD1-CB 4.32Å; L51-V132 HydrophobicContact CD1-CG1 4.11Å; L51-V132 HydrophobicContact CD2-CB 4.44Å; L51-V132 HydrophobicContact CD2-CG1 3.76Å; D128-V132 VanDerWaalsContact O-CG2 3.3Å; D128-V132 WeakPolarHBondContact O-CG2 3.44Å; D128-V132 PolarHBondContact O-N 2.88Å; D128-V132 VanDerWaalsContact O-N 3.15Å; L130-V132 VanDerWaalsContact C-N 3.29Å; L130-V132 PolarHBondContact O-N 2.86Å; V132-S135 PolarHBondContact O-N 3.1Å; V132-Y136 HydrophobicContact CG1-CD2 3.72Å; V132-Y136 HydrophobicContact CG1-CE2 3.65Å; V132-Y136 VanDerWaalsContact O-CD2 3.26Å; V132-Y136 WeakPolarHBondContact O-CD2 3.44Å; V132-Y136 PolarHBondContact O-N 3.22Å; V132-M210 HydrophobicContact CB-CE 4.24Å; V132-M210 HydrophobicContact CG2-CE 3.35Å; V132-I313 HydrophobicContact CG1-CD1 4.36Å
133	L	94.4	Very high	94.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-45.9	-179.7	-176.5	63	0	0	0	112.4	L42 V47 R50 L51 I54 L95 S129 L130 S135 Y136 S137	L42-L133 HydrophobicContact CD1-CD2 4.15Å; V47-L133 HydrophobicContact CB-CD2 4.48Å; V47-L133 HydrophobicContact CG1-CB 4.26Å; V47-L133 HydrophobicContact CG1-CD2 3.98Å; V47-L133 HydrophobicContact CG2-CD2 4.33Å; R50-L133 HydrophobicContact CB-CD1 4.45Å; R50-L133 HydrophobicContact CG-CD1 4.09Å; L51-L133 HydrophobicContact CD2-CB 3.95Å; L51-L133 HydrophobicContact CD2-CD1 3.85Å; L51-L133 HydrophobicContact CG-CB 4.32Å; L51-L133 HydrophobicContact CG-CD1 4.23Å; I54-L133 HydrophobicContact CD1-CD1 3.79Å; L95-L133 HydrophobicContact CD1-CB 4.21Å; L95-L133 HydrophobicContact CD1-CD2 3.78Å; L95-L133 HydrophobicContact CD1-CG 3.57Å; S129-L133 PolarHBondContact O-N 2.86Å; L130-L133 PolarHBondContact O-N 2.87Å; L133-S135 VanDerWaalsContact C-N 3.25Å; L133-S135 PolarHBondContact O-N 3.15Å; L133-Y136 CarbonylContact O-C 3.59Å; L133-Y136 PolarHBondContact O-N 3.39Å; L133-Y136 VanDerWaalsContact O-N 3.09Å; L133-S137 PolarHBondContact O-N 2.95Å; L133-S137 PolarHBondContact O-OG 2.87Å
134	I	96.8	Very high	93.7	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-54.8	-44.8	175	-69	166.2	0	0	0	110	L95 L130 Y136 S137 H138 V178 A188 M190	L95-I134 HydrophobicContact CB-CG1 4.36Å; L95-I134 HydrophobicContact CD1-CB 4.44Å; L95-I134 HydrophobicContact CD1-CG1 3.76Å; L95-I134 HydrophobicContact CG-CG1 4.29Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.12Å; I134-Y136 PolarHBondContact O-N 2.79Å; I134-S137 WeakPolarHBondContact O-CB 3.49Å; I134-S137 PolarHBondContact O-N 2.73Å; I134-H138 PolarHBondContact O-N 3.36Å; I134-V178 HydrophobicContact CG2-CG2 3.75Å; I134-A188 HydrophobicContact CB-CB 4.34Å; I134-A188 HydrophobicContact CG2-CB 3.95Å; I134-M190 HydrophobicContact CD1-CG 3.56Å; I134-M190 HydrophobicContact CD1-SD 3.88Å
135	S	96.9	Very high	93.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65	-37.2	178.1	-59.6	0	0	0	0	113	A131 V132 L133 T139 M210	A131-S135 WeakPolarHBondContact O-CB 3.43Å; A131-S135 PolarHBondContact O-N 3.41Å; A131-S135 VanDerWaalsContact O-N 3.08Å; A131-S135 PolarHBondContact O-OG 3.33Å; V132-S135 PolarHBondContact O-N 3.1Å; L133-S135 VanDerWaalsContact C-N 3.25Å; L133-S135 PolarHBondContact O-N 3.15Å; S135-T139 WeakPolarHBondContact O-CG2 3.46Å; S135-T139 PolarHBondContact O-N 2.95Å; S135-T139 VanDerWaalsContact O-N 3.09Å; S135-T139 PolarHBondContact O-OG1 3.34Å; S135-M210 VanDerWaalsContact OG-CG 3.28Å; S135-M210 WeakPolarHBondContact OG-CG 3.37Å
136	Y	95.6	Very high	92.9	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-71.5	-32.6	173.6	-87.1	-61.9	0	0	0	113.3	L51 I54 V55 V132 L133 I134 T139 Y140 S147 L149 I151 I313 F314	L51-Y136 HydrophobicContact CD2-CD2 3.74Å; L51-Y136 HydrophobicContact CD2-CE2 4.47Å; I54-Y136 HydrophobicContact CG2-CD1 3.61Å; I54-Y136 HydrophobicContact CG2-CE1 4.29Å; I54-Y136 HydrophobicContact CG2-CG 3.88Å; V55-Y136 HydrophobicContact CG2-CE1 4.09Å; V55-Y136 HydrophobicContact CG2-CE2 4.02Å; V132-Y136 HydrophobicContact CG1-CD2 3.72Å; V132-Y136 HydrophobicContact CG1-CE2 3.65Å; V132-Y136 VanDerWaalsContact O-CD2 3.26Å; V132-Y136 WeakPolarHBondContact O-CD2 3.44Å; V132-Y136 PolarHBondContact O-N 3.22Å; L133-Y136 CarbonylContact O-C 3.59Å; L133-Y136 PolarHBondContact O-N 3.39Å; L133-Y136 VanDerWaalsContact O-N 3.09Å; I134-Y136 PolarHBondContact O-N 2.79Å; Y136-T139 CarbonylContact O-C 3.52Å; Y136-Y140 PolarHBondContact O-N 3.11Å; Y136-S147 WeakPolarHBondContact CE1-OG 3.39Å; Y136-L149 PolarHBondContact OH-O 3.39Å; Y136-I151 HydrophobicContact CD1-CD1 3.92Å; Y136-I151 HydrophobicContact CD2-CD1 4.31Å; Y136-I151 HydrophobicContact CE1-CD1 3.74Å; Y136-I151 HydrophobicContact CE1-CG1 4.06Å; Y136-I151 HydrophobicContact CE2-CB 3.93Å; Y136-I151 HydrophobicContact CE2-CD1 4.14Å; Y136-I151 HydrophobicContact CE2-CG1 4.22Å; Y136-I151 HydrophobicContact CG-CD1 4.17Å; Y136-I151 PolarHBondContact OH-N 3.1Å; Y136-I313 HydrophobicContact CE2-CD1 4.04Å; Y136-F314 HydrophobicContact CE2-CZ 4.32Å; Y136-F314 WeakPolarHBondContact OH-CZ 3.38Å
137	S	95.1	Very high	92.7	Very high	17 Å²	17	38.9 Å²	38.9	12%	0.119	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-43.2	172.4	-68.1	0	0	0	0	111.2	L133 I134 T139 Y140	L133-S137 PolarHBondContact O-N 2.95Å; L133-S137 PolarHBondContact O-OG 2.87Å; I134-S137 WeakPolarHBondContact O-CB 3.49Å; I134-S137 PolarHBondContact O-N 2.73Å; S137-T139 PolarHBondContact O-N 3.35Å; S137-Y140 WeakPolarHBondContact O-CB 3.4Å; S137-Y140 PolarHBondContact O-N 2.83Å
138	H	96.8	Very high	92.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-45.1	174.7	-174.1	74.6	0	0	0	112.8	K88 I134 Y140 V178 N224	K88-H138 WeakPolarHBondContact CB-CE1 3.48Å; K88-H138 WeakPolarHBondContact CE-O 3.29Å; K88-H138 WeakPolarHBondContact CG-O 3.39Å; I134-H138 PolarHBondContact O-N 3.36Å; H138-Y140 PolarHBondContact O-N 3.38Å; H138-V178 HydrophobicContact CB-CG2 3.68Å; H138-N224 PolarHBondContact NE2-O 2.68Å
139	T	95.5	Very high	92.4	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	9.1	-179	58.1	0	0	0	0	113.5	S135 Y136 S137 N141 L149 I151 I186 V223	S135-T139 WeakPolarHBondContact O-CG2 3.46Å; S135-T139 PolarHBondContact O-N 2.95Å; S135-T139 VanDerWaalsContact O-N 3.09Å; S135-T139 PolarHBondContact O-OG1 3.34Å; Y136-T139 CarbonylContact O-C 3.52Å; S137-T139 PolarHBondContact O-N 3.35Å; T139-N141 PolarHBondContact O-N 2.92Å; T139-L149 HydrophobicContact CG2-CD1 3.76Å; T139-I151 HydrophobicContact CG2-CD1 4.4Å; T139-I186 HydrophobicContact CG2-CD1 3.84Å; T139-V223 HydrophobicContact CG2-CB 4.21Å; T139-V223 HydrophobicContact CG2-CG1 4.07Å
140	Y	93.8	Very high	92.3	Very high	132 Å²	132	39.7 Å²	39.7	52%	0.518	21%	0.206	S	C	.	.			trans	-65	126.4	-176.8	-178.6	-107	0	0	0	111.6	K88 Y136 S137 H138 P142	K88-Y140 PolarHBondContact NZ-O 2.85Å; Y136-Y140 PolarHBondContact O-N 3.11Å; S137-Y140 WeakPolarHBondContact O-CB 3.4Å; S137-Y140 PolarHBondContact O-N 2.83Å; H138-Y140 PolarHBondContact O-N 3.38Å; Y140-P142 HydrophobicContact CE1-CB 4.12Å
141	N	90.8	Very high	92.3	Very high	71 Å²	71	39.6 Å²	39.6	38%	0.38	21%	0.206	S	C	.	.			trans	-122.2	111.7	176.5	-175	-14.2	0	0	0	109.8	T139 A143 L144	T139-N141 PolarHBondContact O-N 2.92Å; N141-A143 PolarHBondContact O-N 3.28Å; N141-A143 WeakPolarHBondContact OD1-CB 3.42Å; N141-A143 PolarHBondContact OD1-N 2.95Å; N141-L144 HydrophobicContact CB-CB 4.48Å; N141-L144 HydrophobicContact CB-CD1 4.19Å; N141-L144 HydrophobicContact CB-CG 4.23Å; N141-L144 PolarHBondContact O-N 3.43Å; N141-L144 VanDerWaalsContact O-N 3.13Å
142	P	88.2	Confident	92	Very high	102 Å²	102	41 Å²	41	66%	0.662	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.2	-178.4	27.8	-35	0	0	0	113.6	Y140 L144	Y140-P142 HydrophobicContact CE1-CB 4.12Å; P142-L144 VanDerWaalsContact C-N 3.26Å; P142-L144 PolarHBondContact O-N 3.39Å
143	A	89.1	Confident	91.9	Very high	87 Å²	87	41.4 Å²	41.4	72%	0.719	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.1	176.6	0	0	0	0	0	112.9	N141	N141-A143 PolarHBondContact O-N 3.28Å; N141-A143 WeakPolarHBondContact OD1-CB 3.42Å; N141-A143 PolarHBondContact OD1-N 2.95Å
144	L	86.6	Confident	91.9	Very high	48 Å²	48	42.4 Å²	42.4	25%	0.251	23%	0.225	S	C	.	.			trans	-103.5	130	-178.8	-59.9	-178.7	0	0	0	110.3	M77 N141 P142 R146 P148	M77-L144 HydrophobicContact SD-CD2 3.99Å; N141-L144 HydrophobicContact CB-CB 4.48Å; N141-L144 HydrophobicContact CB-CD1 4.19Å; N141-L144 HydrophobicContact CB-CG 4.23Å; N141-L144 PolarHBondContact O-N 3.43Å; N141-L144 VanDerWaalsContact O-N 3.13Å; P142-L144 VanDerWaalsContact C-N 3.26Å; P142-L144 PolarHBondContact O-N 3.39Å; L144-R146 PolarHBondContact O-N 2.83Å; L144-P148 HydrophobicContact CD1-CG 4.18Å
145	K	85.3	Confident	91.7	Very high	204 Å²	204	43.5 Å²	43.5	89%	0.887	23%	0.231	S	C	*	.	S	Bend	trans	-66.4	-27.6	175.9	-164.9	176.2	-175.9	177.7	0	112.6
146	R	86.5	Confident	91.6	Very high	109 Å²	109	43.5 Å²	43.5	41%	0.411	23%	0.231	S	C	.	.	S	Bend	trans	-146.7	150.4	-179.8	-65.5	-180	178.9	173.9	-0.5	109.7	I54 L144	I54-R146 WeakPolarHBondContact O-CA 3.2Å; L144-R146 PolarHBondContact O-N 2.83Å
147	S	89.3	Confident	91.6	Very high	15 Å²	15	43.8 Å²	43.8	11%	0.105	23%	0.232	C	C	.	.			trans	-73.9	130.3	176.4	-175.7	0	0	0	0	111.8	I54 R71 Y136 L149	I54-S147 PolarHBondContact O-N 3.14Å; R71-S147 PolarHBondContact NH1-O 2.98Å; Y136-S147 WeakPolarHBondContact CE1-OG 3.39Å; S147-L149 PolarHBondContact O-N 3.25Å; S147-L149 PolarHBondContact OG-N 3.47Å
148	P	91.1	Very high	91.5	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.052	23%	0.234	C	C	.	.			trans	-75.8	-14.2	173.1	32.9	-35.6	0	0	0	112.2	L74 M77 L78 L144 P215	L74-P148 HydrophobicContact CB-CB 3.91Å; L74-P148 WeakPolarHBondContact O-CB 3.29Å; M77-P148 HydrophobicContact CB-CB 4.26Å; M77-P148 HydrophobicContact CB-CG 4.34Å; L78-P148 HydrophobicContact CD2-CB 3.85Å; L78-P148 HydrophobicContact CD2-CG 3.95Å; L78-P148 HydrophobicContact CG-CB 4.44Å; L144-P148 HydrophobicContact CD1-CG 4.18Å; P148-P215 VanDerWaalsContact O-CD 3.25Å; P148-P215 WeakPolarHBondContact O-CD 3.4Å; P148-P215 WeakPolarHBondContact O-CG 3.32Å
149	L	92.2	Very high	91.4	Very high	13 Å²	13	44.7 Å²	44.7	7%	0.068	23%	0.234	C	C	.	.			trans	-79.4	141.5	-175.5	-58.9	175	0	0	0	111.5	R71 L78 Y136 T139 S147 I151 A212 A221 V223	R71-L149 PolarHBondContact NH2-O 3Å; L78-L149 HydrophobicContact CD2-CD2 3.64Å; Y136-L149 PolarHBondContact OH-O 3.39Å; T139-L149 HydrophobicContact CG2-CD1 3.76Å; S147-L149 PolarHBondContact O-N 3.25Å; S147-L149 PolarHBondContact OG-N 3.47Å; L149-I151 HydrophobicContact CB-CG1 4.1Å; L149-A212 HydrophobicContact CD2-CB 4.41Å; L149-A221 HydrophobicContact CD2-CB 3.52Å; L149-V223 HydrophobicContact CD1-CG1 4.47Å
150	S	91.1	Very high	91	Very high	1 Å²	1	47 Å²	47	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	102.8	162.9	-179.4	0	0	0	0	108.3	R213 D214 N217	S150-R213 PolarHBondContact N-O 2.93Å; S150-R213 PolarHBondContact O-N 2.86Å; S150-D214 WeakPolarHBondContact CB-O 3.19Å; S150-N217 PolarHBondContact OG-OD1 3.09Å; S150-N217 VanDerWaalsContact OG-OD1 3.07Å
151	I	92.4	Very high	90.8	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.4	-178.8	-57.7	178.5	0	0	0	108.8	Y136 T139 L149 M210 V211 A212 F314	Y136-I151 HydrophobicContact CD1-CD1 3.92Å; Y136-I151 HydrophobicContact CD2-CD1 4.31Å; Y136-I151 HydrophobicContact CE1-CD1 3.74Å; Y136-I151 HydrophobicContact CE1-CG1 4.06Å; Y136-I151 HydrophobicContact CE2-CB 3.93Å; Y136-I151 HydrophobicContact CE2-CD1 4.14Å; Y136-I151 HydrophobicContact CE2-CG1 4.22Å; Y136-I151 HydrophobicContact CG-CD1 4.17Å; Y136-I151 PolarHBondContact OH-N 3.1Å; T139-I151 HydrophobicContact CG2-CD1 4.4Å; L149-I151 HydrophobicContact CB-CG1 4.1Å; I151-M210 HydrophobicContact CG2-CB 3.79Å; I151-M210 HydrophobicContact CG2-CE 4.21Å; I151-V211 WeakPolarHBondContact CA-O 3.41Å; I151-A212 HydrophobicContact CG1-CB 4.3Å; I151-F314 WeakPolarHBondContact O-CE2 3.35Å
152	V	90.6	Very high	90.5	Very high	29 Å²	29	45 Å²	45	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.6	-179.2	-60.7	0	0	0	0	110.8	A154 M210 V211 F314	V152-A154 PolarHBondContact O-N 3.24Å; V152-M210 WeakPolarHBondContact O-CA 3.42Å; V152-V211 HydrophobicContact CG2-CG2 3.52Å; V152-V211 PolarHBondContact N-O 3.13Å; V152-V211 PolarHBondContact O-N 3.5Å; V152-F314 HydrophobicContact CG1-CD2 4.3Å
153	T	92.8	Very high	90.2	Very high	18 Å²	18	42.9 Å²	42.9	11%	0.11	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.1	175.4	-42	0	0	0	0	109.6	D128 V156 F208 M210 F352	D128-T153 WeakPolarHBondContact OD1-CB 3.48Å; D128-T153 WeakPolarHBondContact OD1-CG2 3.39Å; D128-T153 PolarHBondContact OD1-OG1 2.96Å; T153-V156 HydrophobicContact CG2-CG2 4.07Å; T153-F208 HydrophobicContact CG2-CD1 3.9Å; T153-F208 HydrophobicContact CG2-CE1 4.38Å; T153-M210 HydrophobicContact CG2-SD 4.03Å; T153-M210 WeakPolarHBondContact OG1-CE 3.35Å; T153-F352 HydrophobicContact CG2-CD2 3.97Å; T153-F352 HydrophobicContact CG2-CE2 3.69Å; T153-F352 HydrophobicContact CG2-CZ 4.49Å
154	A	92.9	Very high	89.6	Confident	21 Å²	21	43.3 Å²	43.3	17%	0.174	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-42.8	175.8	0	0	0	0	0	111.5	V152 V209 V211 F352	V152-A154 PolarHBondContact O-N 3.24Å; A154-V209 WeakPolarHBondContact CB-O 3.33Å; A154-V209 PolarHBondContact N-O 3.33Å; A154-V211 HydrophobicContact CB-CB 4.33Å; A154-V211 HydrophobicContact CB-CG1 3.57Å; A154-V211 HydrophobicContact CB-CG2 3.91Å; A154-F352 PolarHBondContact O-N 3.31Å
155	L	93.9	Very high	89.6	Confident	25 Å²	25	44.8 Å²	44.8	13%	0.131	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	148.3	-178.4	177.3	150.3	0	0	0	110.5	D157 V209 R247 I350 L351	L155-D157 WeakPolarHBondContact CD2-OD1 3.48Å; L155-V209 HydrophobicContact CB-CB 4.14Å; L155-V209 HydrophobicContact CB-CG2 4.49Å; L155-V209 HydrophobicContact CD2-CB 4.45Å; L155-V209 HydrophobicContact CD2-CG2 3.92Å; L155-V209 PolarHBondContact N-O 3.1Å; L155-V209 VanDerWaalsContact N-O 3.1Å; L155-V209 PolarHBondContact O-N 3.43Å; L155-R247 HydrophobicContact CD1-CG 4.37Å; L155-I350 CarbonylContact C-O 3.58Å; L155-I350 WeakPolarHBondContact CA-O 3.33Å; L155-L351 HydrophobicContact CB-CD1 4.35Å; L155-L351 HydrophobicContact CD1-CD1 4.2Å
156	V	95.2	Very high	89.9	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.5	166.7	-172	0	0	0	0	106.1	T153 I159 F208 M323 D349 I350 F352	T153-V156 HydrophobicContact CG2-CG2 4.07Å; V156-I159 HydrophobicContact CG1-CD1 3.91Å; V156-I159 HydrophobicContact CG1-CG1 4.28Å; V156-F208 HydrophobicContact CB-CE1 4.42Å; V156-F208 HydrophobicContact CB-CZ 4.44Å; V156-F208 HydrophobicContact CG1-CD1 4.4Å; V156-F208 HydrophobicContact CG1-CD2 3.88Å; V156-F208 HydrophobicContact CG1-CE1 4.1Å; V156-F208 HydrophobicContact CG1-CE2 3.55Å; V156-F208 HydrophobicContact CG1-CG 4.29Å; V156-F208 HydrophobicContact CG1-CZ 3.66Å; V156-F208 HydrophobicContact CG2-CD1 3.62Å; V156-F208 HydrophobicContact CG2-CE1 3.43Å; V156-F208 VanDerWaalsContact CG2-CE1 3.43Å; V156-F208 HydrophobicContact CG2-CE2 4.39Å; V156-F208 HydrophobicContact CG2-CG 4.18Å; V156-F208 HydrophobicContact CG2-CZ 3.85Å; V156-M323 HydrophobicContact CG2-CE 4.43Å; V156-M323 HydrophobicContact CG2-SD 3.93Å; V156-D349 CarbonylContact O-C 3.52Å; V156-D349 VanDerWaalsContact O-CA 3.32Å; V156-D349 WeakPolarHBondContact O-CA 3.12Å; V156-I350 HydrophobicContact CB-CB 4.18Å; V156-I350 PolarHBondContact N-O 3.45Å; V156-I350 PolarHBondContact O-N 3.01Å; V156-F352 HydrophobicContact CG2-CE2 4.06Å
157	D	94.4	Very high	90.1	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.043	17%	0.168	C	C	.	.			trans	-69.5	162.7	173.5	-72.7	-22.7	0	0	0	110.2	L155 I159 T207 R246 R247 D349	L155-D157 WeakPolarHBondContact CD2-OD1 3.48Å; D157-I159 PolarHBondContact O-N 2.79Å; D157-T207 PolarHBondContact N-O 3.3Å; D157-T207 WeakPolarHBondContact OD2-CB 3.3Å; D157-T207 WeakPolarHBondContact OD2-CG2 3.3Å; D157-R246 VanDerWaalsContact CG-NH2 3.34Å; D157-R246 IonicContact OD1-NH2 2.61Å; D157-R246 PolarHBondContact OD1-NH2 2.79Å; D157-R246 VanDerWaalsContact OD1-NH2 3.15Å; D157-R246 IonicContact OD2-NH2 3.81Å; D157-R247 VanDerWaalsContact CG-NH2 3.32Å; D157-R247 IonicContact OD1-CZ 3.01Å; D157-R247 IonicContact OD1-NE 3.15Å; D157-R247 PolarHBondContact OD1-NE 3.04Å; D157-R247 IonicContact OD1-NH2 3.91Å; D157-R247 PolarHBondContact OD1-NH2 2.67Å; D157-R247 IonicContact OD2-CZ 3.67Å; D157-R247 IonicContact OD2-NE 3.75Å; D157-R247 IonicContact OD2-NH2 3.84Å; D157-R247 PolarHBondContact OD2-NH2 3.26Å; D157-D349 WeakPolarHBondContact CA-OD1 3.46Å
158	K	92.9	Very high	90.3	Very high	36 Å²	36	33.8 Å²	33.8	16%	0.157	17%	0.166	C	C	.	.			trans	-44.9	129.7	171.3	-177.5	171.4	178.7	-107.9	0	111.7	D160 V347 D349 Q431 S435	K158-D160 WeakPolarHBondContact CE-OD1 3.25Å; K158-D160 IonicContact NZ-OD1 3.64Å; K158-D160 PolarHBondContact NZ-OD1 2.86Å; K158-D160 IonicContact NZ-OD2 2.79Å; K158-D160 PolarHBondContact NZ-OD2 2.87Å; K158-V347 CarbonylContact C-O 3.58Å; K158-V347 VanDerWaalsContact CA-O 3.25Å; K158-V347 WeakPolarHBondContact CA-O 3.41Å; K158-V347 WeakPolarHBondContact CG-O 3.45Å; K158-D349 PolarHBondContact N-OD1 3.3Å; K158-Q431 PolarHBondContact NZ-O 2.95Å; K158-S435 PolarHBondContact NZ-OG 3.25Å
159	I	94.4	Very high	90.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.2	176.3	-57.9	175.9	0	0	0	107.5	L124 V156 D157 L204 A206 A346 V347	L124-I159 HydrophobicContact CD2-CD1 3.88Å; V156-I159 HydrophobicContact CG1-CD1 3.91Å; V156-I159 HydrophobicContact CG1-CG1 4.28Å; D157-I159 PolarHBondContact O-N 2.79Å; I159-L204 HydrophobicContact CG2-CB 4.15Å; I159-L204 HydrophobicContact CG2-CD1 4.29Å; I159-L204 HydrophobicContact CG2-CD2 4.15Å; I159-L204 HydrophobicContact CG2-CG 4.42Å; I159-A206 HydrophobicContact CD1-CB 3.83Å; I159-A206 HydrophobicContact CG1-CB 3.91Å; I159-A346 WeakPolarHBondContact O-CA 3.25Å; I159-V347 HydrophobicContact CB-CB 4.25Å; I159-V347 PolarHBondContact N-O 2.8Å; I159-V347 PolarHBondContact O-N 2.95Å
160	D	87.9	Confident	90.3	Very high	58 Å²	58	37 Å²	37	31%	0.31	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132	174.7	-72.2	-57.7	0	0	0	111	K158 R162 A346	K158-D160 WeakPolarHBondContact CE-OD1 3.25Å; K158-D160 IonicContact NZ-OD1 3.64Å; K158-D160 PolarHBondContact NZ-OD1 2.86Å; K158-D160 IonicContact NZ-OD2 2.79Å; K158-D160 PolarHBondContact NZ-OD2 2.87Å; D160-R162 PolarHBondContact O-N 3.01Å; D160-A346 WeakPolarHBondContact OD1-CB 3.43Å
161	M	88.8	Confident	90.4	Very high	16 Å²	16	37 Å²	37	8%	0.079	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-81.2	110.9	176.8	-61.1	-59.2	-60.1	0	0	109.5	F120 Q163 I166 V203 L204 L344 V345	F120-M161 HydrophobicContact CD2-CE 4.49Å; F120-M161 HydrophobicContact CD2-SD 4.49Å; F120-M161 HydrophobicContact CE2-CE 4.01Å; F120-M161 HydrophobicContact CE2-SD 3.61Å; F120-M161 HydrophobicContact CZ-SD 3.9Å; M161-Q163 VanDerWaalsContact C-N 3.28Å; M161-Q163 WeakPolarHBondContact CE-O 3.28Å; M161-I166 HydrophobicContact CE-CD1 4.05Å; M161-I166 HydrophobicContact CE-CG1 4.29Å; M161-V203 HydrophobicContact CE-CG1 3.99Å; M161-L204 HydrophobicContact CE-CD2 4.16Å; M161-L204 HydrophobicContact SD-CB 4.23Å; M161-L204 HydrophobicContact SD-CD2 3.79Å; M161-L344 HydrophobicContact CG-CD2 4.12Å; M161-L344 HydrophobicContact CG-CG 4.07Å; M161-L344 HydrophobicContact SD-CD2 4.11Å; M161-V345 WeakPolarHBondContact CB-O 3.33Å; M161-V345 WeakPolarHBondContact CG-O 3.28Å; M161-V345 PolarHBondContact N-O 3.31Å; M161-V345 VanDerWaalsContact N-O 3.13Å
162	R	85.7	Confident	90.6	Very high	144 Å²	144	36.9 Å²	36.9	54%	0.543	18%	0.182	S	C	.	.	S	Bend	trans	-69.3	-33.2	171.9	-60.6	177.3	174.7	-144.9	1.9	111	D160 V203 D205	D160-R162 PolarHBondContact O-N 3.01Å; R162-V203 WeakPolarHBondContact CB-O 3.5Å; R162-V203 PolarHBondContact N-O 2.81Å; R162-D205 IonicContact CZ-OD2 3.78Å; R162-D205 IonicContact NE-OD2 3.3Å; R162-D205 PolarHBondContact NE-OD2 3.01Å; R162-D205 IonicContact NH2-OD1 2.79Å; R162-D205 IonicContact NH2-OD2 3.94Å; R162-D205 PolarHBondContact NH2-OD2 3.44Å
163	Q	80.6	Confident	90.8	Very high	58 Å²	58	37 Å²	37	27%	0.271	18%	0.181	S	C	.	.	S	Bend	trans	-125.3	128.4	172.3	-61.7	-175.2	21.4	0	0	109.8	M161 V165 A201 P202 V203	M161-Q163 VanDerWaalsContact C-N 3.28Å; M161-Q163 WeakPolarHBondContact CE-O 3.28Å; Q163-V165 PolarHBondContact O-N 3.19Å; Q163-A201 VanDerWaalsContact NE2-CB 3.34Å; Q163-P202 PolarHBondContact NE2-O 3.35Å; Q163-V203 PolarHBondContact N-O 3.08Å
164	H	77.9	Confident	90.9	Very high	97 Å²	97	36.3 Å²	36.3	45%	0.449	18%	0.176	S	C	.	.	S	Bend	trans	-80.7	-1.8	-175.9	-66.5	78.4	0	0	0	113.4	L344	H164-L344 PolarHBondContact CD2-O 3.32Å
165	V	85	Confident	91	Very high	78 Å²	78	36.9 Å²	36.9	47%	0.473	18%	0.177	S	C	.	.			trans	-128.8	125	-178.9	-176.8	0	0	0	0	109	Q163 Y167	Q163-V165 PolarHBondContact O-N 3.19Å; V165-Y167 HydrophobicContact CB-CE2 4.4Å; V165-Y167 HydrophobicContact CG1-CD1 4.38Å; V165-Y167 HydrophobicContact CG1-CD2 4.37Å; V165-Y167 HydrophobicContact CG1-CE1 4.01Å; V165-Y167 HydrophobicContact CG1-CE2 4Å
166	I	91.8	Very high	91.2	Very high	19 Å²	19	36 Å²	36	10%	0.097	17%	0.174	C	C	.	.			trans	-108.8	119.6	169.8	-53.5	170	0	0	0	106.9	V118 F120 M161 I172 M192 V203	V118-I166 HydrophobicContact CB-CB 4.09Å; V118-I166 HydrophobicContact CB-CG2 3.99Å; V118-I166 HydrophobicContact CG1-CG2 4.22Å; V118-I166 HydrophobicContact CG2-CB 4.2Å; V118-I166 HydrophobicContact CG2-CG2 3.76Å; F120-I166 HydrophobicContact CD2-CD1 3.84Å; F120-I166 HydrophobicContact CE2-CD1 4.34Å; M161-I166 HydrophobicContact CE-CD1 4.05Å; M161-I166 HydrophobicContact CE-CG1 4.29Å; I166-I172 HydrophobicContact CG2-CD1 3.85Å; I166-M192 HydrophobicContact CD1-CE 4.17Å; I166-M192 HydrophobicContact CG2-CE 4.29Å; I166-V203 HydrophobicContact CD1-CG1 4.29Å; I166-V203 HydrophobicContact CG1-CG1 3.92Å
167	Y	92.1	Very high	91.3	Very high	70 Å²	70	37.8 Å²	37.8	28%	0.275	18%	0.183	S	C	.	.			trans	-80.1	128.8	-176.9	-65.9	-86.1	0	0	0	110.4	V165 D169 Q194 R196	V165-Y167 HydrophobicContact CB-CE2 4.4Å; V165-Y167 HydrophobicContact CG1-CD1 4.38Å; V165-Y167 HydrophobicContact CG1-CD2 4.37Å; V165-Y167 HydrophobicContact CG1-CE1 4.01Å; V165-Y167 HydrophobicContact CG1-CE2 4Å; Y167-D169 PolarHBondContact O-N 2.94Å; Y167-Q194 PolarHBondContact O-NE2 3.34Å; Y167-R196 PolarHBondContact OH-NH1 2.97Å
168	P	92.2	Very high	91.5	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.058	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.4	-177.4	34.1	-39.6	0	0	0	113.5	L101 R108 L112 N116 V118	L101-P168 WeakPolarHBondContact CB-O 3.31Å; R108-P168 WeakPolarHBondContact CD-O 3.26Å; R108-P168 WeakPolarHBondContact CG-O 3.49Å; R108-P168 PolarHBondContact NE-O 3.23Å; L112-P168 HydrophobicContact CD2-CB 3.44Å; L112-P168 VanDerWaalsContact CD2-CB 3.44Å; L112-P168 HydrophobicContact CD2-CG 4.04Å; L112-P168 HydrophobicContact CG-CB 4.43Å; N116-P168 WeakPolarHBondContact O-CG 3.37Å; V118-P168 HydrophobicContact CG2-CB 3.92Å
169	D	91.4	Very high	91.6	Very high	79 Å²	79	35.9 Å²	35.9	42%	0.422	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	10.7	-178.9	59.9	-29.9	0	0	0	112.9	G102 Y167	G102-D169 VanDerWaalsContact CA-C 3.49Å; G102-D169 WeakPolarHBondContact CA-O 3.3Å; Y167-D169 PolarHBondContact O-N 2.94Å
170	C	92.6	Very high	91.8	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.061	18%	0.177	C	C	.	.	S	Bend	trans	-117.1	132.1	177.6	-66.7	0	0	0	0	111.3	G29 Q194 Y195	G29-C170 CarbonylContact O-C 3.59Å; G29-C170 WeakPolarHBondContact O-CA 3.49Å; C170-Q194 HydrophobicContact CB-CG 3.58Å; C170-Q194 PolarHBondContact O-NE2 3.34Å; C170-Q194 VanDerWaalsContact O-NE2 3.12Å; C170-Y195 WeakPolarHBondContact CB-O 3.33Å
171	D	94.1	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.			trans	-63.1	141.5	177.7	-72.1	-17.8	0	0	0	112.1	G29 Q30 A31 M34 P100 L101 G102 S103 Q194 Y195	G29-D171 PolarHBondContact O-N 3.07Å; Q30-D171 WeakPolarHBondContact CA-OD2 3.38Å; A31-D171 HydrophobicContact CB-CB 3.98Å; A31-D171 PolarHBondContact N-OD2 3.24Å; M34-D171 HydrophobicContact SD-CB 3.66Å; P100-D171 WeakPolarHBondContact CA-OD1 3.17Å; L101-D171 PolarHBondContact N-OD1 3.3Å; G102-D171 VanDerWaalsContact CA-OD1 3.23Å; G102-D171 WeakPolarHBondContact CA-OD1 3.18Å; G102-D171 PolarHBondContact N-OD1 2.97Å; S103-D171 PolarHBondContact N-OD1 3.43Å; S103-D171 PolarHBondContact OG-OD2 3.02Å; D171-Q194 WeakPolarHBondContact O-CA 3.22Å; D171-Y195 PolarHBondContact O-N 3.39Å
172	I	94.8	Very high	92.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.1	-176.8	-66.4	163.5	0	0	0	109.1	M34 L99 L101 I123 I166 F174 M192 S193 Q194	M34-I172 WeakPolarHBondContact CE-O 3.49Å; L99-I172 HydrophobicContact CB-CB 4.08Å; L99-I172 HydrophobicContact CB-CG2 4.44Å; L99-I172 HydrophobicContact CD2-CB 4.22Å; L99-I172 HydrophobicContact CD2-CD1 3.9Å; L99-I172 HydrophobicContact CD2-CG2 4.4Å; L99-I172 HydrophobicContact CG-CB 4.34Å; L99-I172 PolarHBondContact N-O 3.27Å; L99-I172 PolarHBondContact O-N 2.89Å; L101-I172 HydrophobicContact CD1-CD1 3.54Å; L101-I172 HydrophobicContact CD1-CG1 4.49Å; L101-I172 HydrophobicContact CG-CD1 4.22Å; I123-I172 HydrophobicContact CD1-CD1 4.47Å; I166-I172 HydrophobicContact CG2-CD1 3.85Å; I172-F174 HydrophobicContact CG2-CD2 4.32Å; I172-F174 HydrophobicContact CG2-CE1 4.23Å; I172-F174 HydrophobicContact CG2-CE2 3.79Å; I172-F174 HydrophobicContact CG2-CZ 3.74Å; I172-M192 HydrophobicContact CB-CE 4.49Å; I172-M192 HydrophobicContact CD1-CE 3.7Å; I172-M192 HydrophobicContact CG1-CE 4.12Å; I172-M192 HydrophobicContact CG2-CE 3.57Å; I172-M192 HydrophobicContact CG2-CG 3.79Å; I172-M192 HydrophobicContact CG2-SD 4.42Å; I172-S193 CarbonylContact C-O 3.58Å; I172-S193 WeakPolarHBondContact CA-O 3.4Å; I172-Q194 HydrophobicContact CG1-CB 4.32Å; I172-Q194 HydrophobicContact CG1-CG 4.2Å
173	K	94.8	Very high	93	Very high	32 Å²	32	36.9 Å²	36.9	14%	0.139	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.7	174.9	179.1	163.1	61.9	-174.3	0	110.5	D33 M34 E96 T175 S193 Y200	D33-K173 IonicContact OD2-NZ 3.61Å; M34-K173 HydrophobicContact CE-CB 3.78Å; M34-K173 HydrophobicContact CE-CG 4.49Å; E96-K173 HydrophobicContact CG-CD 3.92Å; E96-K173 HydrophobicContact CG-CG 4.07Å; K173-T175 HydrophobicContact CG-CG2 4.37Å; K173-S193 PolarHBondContact N-O 2.99Å; K173-S193 PolarHBondContact O-N 3.4Å; K173-S193 PolarHBondContact O-OG 3.37Å; K173-Y200 HydrophobicContact CB-CD1 4.11Å; K173-Y200 HydrophobicContact CB-CE1 3.52Å; K173-Y200 HydrophobicContact CD-CE1 4.41Å; K173-Y200 VanDerWaalsContact NZ-CE2 3.26Å
174	F	95.8	Very high	93.7	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.3	169.9	-56.8	-82.4	0	0	0	109.4	E96 V97 L99 I123 L127 L130 I172 H191 M192	E96-F174 CarbonylContact C-O 3.55Å; E96-F174 WeakPolarHBondContact CA-O 3.48Å; V97-F174 HydrophobicContact CB-CB 4.36Å; V97-F174 PolarHBondContact N-O 3.43Å; V97-F174 PolarHBondContact O-N 3.26Å; L99-F174 HydrophobicContact CB-CD2 4.48Å; L99-F174 HydrophobicContact CB-CE2 3.8Å; L99-F174 HydrophobicContact CD2-CE2 3.97Å; L99-F174 HydrophobicContact CD2-CZ 4.19Å; I123-F174 HydrophobicContact CD1-CZ 4.45Å; I123-F174 HydrophobicContact CG2-CE1 4.24Å; I123-F174 HydrophobicContact CG2-CZ 4.25Å; L127-F174 HydrophobicContact CD2-CD1 3.85Å; L127-F174 HydrophobicContact CD2-CE1 3.85Å; L127-F174 HydrophobicContact CG-CE1 4.38Å; L130-F174 HydrophobicContact CD1-CB 3.69Å; L130-F174 HydrophobicContact CD1-CD1 4.06Å; L130-F174 HydrophobicContact CD1-CD2 3.91Å; L130-F174 HydrophobicContact CD1-CG 3.62Å; I172-F174 HydrophobicContact CG2-CD2 4.32Å; I172-F174 HydrophobicContact CG2-CE1 4.23Å; I172-F174 HydrophobicContact CG2-CE2 3.79Å; I172-F174 HydrophobicContact CG2-CZ 3.74Å; F174-H191 WeakPolarHBondContact CA-O 3.46Å; F174-M192 HydrophobicContact CD1-CB 3.83Å; F174-M192 HydrophobicContact CD1-CG 3.84Å; F174-M192 HydrophobicContact CE1-CB 3.89Å; F174-M192 HydrophobicContact CE1-CE 4.43Å; F174-M192 HydrophobicContact CE1-CG 3.49Å; F174-M192 VanDerWaalsContact CE1-CG 3.49Å; F174-M192 HydrophobicContact CE1-SD 3.69Å; F174-M192 HydrophobicContact CZ-CE 4.46Å; F174-M192 HydrophobicContact CZ-CG 4.25Å; F174-M192 HydrophobicContact CZ-SD 4.28Å
175	T	96	Very high	94.6	Very high	32 Å²	32	32.1 Å²	32.1	20%	0.196	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.8	167.7	54.6	0	0	0	0	108.6	F94 L95 E96 K173 M190 H191	F94-T175 HydrophobicContact CZ-CG2 4.25Å; L95-T175 CarbonylContact O-C 3.5Å; L95-T175 VanDerWaalsContact O-CA 3.3Å; L95-T175 WeakPolarHBondContact O-CA 3.47Å; E96-T175 HydrophobicContact CB-CG2 4.4Å; E96-T175 HydrophobicContact CG-CG2 4.1Å; K173-T175 HydrophobicContact CG-CG2 4.37Å; T175-M190 CarbonylContact O-C 3.59Å; T175-M190 VanDerWaalsContact O-CA 3.3Å; T175-M190 WeakPolarHBondContact O-CA 3.48Å; T175-H191 PolarHBondContact N-O 3.4Å; T175-H191 PolarHBondContact O-N 3.49Å
176	G	96.4	Very high	95.2	Very high	6 Å²	6	28.4 Å²	28.4	6%	0.062	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	160.4	176.5	0	0	0	0	0	113.7	F94 L95 K189	F94-G176 CarbonylContact C-O 3.58Å; F94-G176 WeakPolarHBondContact CA-O 3.47Å; L95-G176 PolarHBondContact N-O 2.85Å; L95-G176 PolarHBondContact O-N 3.27Å; G176-K189 CarbonylContact C-O 3.49Å; G176-K189 WeakPolarHBondContact CA-O 3.22Å
177	Q	97.4	Very high	95.5	Very high	39 Å²	39	27.6 Å²	27.6	18%	0.182	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	165.3	-179.5	65.6	-171.3	25.9	0	0	110.6	M90 F94 T179 K189	M90-Q177 HydrophobicContact CB-CG 4.47Å; F94-Q177 HydrophobicContact CB-CB 4.33Å; F94-Q177 HydrophobicContact CD2-CB 4.37Å; Q177-T179 HydrophobicContact CG-CG2 4.44Å; Q177-K189 PolarHBondContact N-O 3.15Å; Q177-K189 PolarHBondContact O-N 2.76Å
178	V	98.2	Very high	95.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.8	169.9	175.1	0	0	0	0	109.5	M90 S93 I134 H138 V181 I186 E187 L226	M90-V178 VanDerWaalsContact CG-O 3.3Å; M90-V178 WeakPolarHBondContact CG-O 3.36Å; S93-V178 WeakPolarHBondContact OG-CB 3.37Å; S93-V178 PolarHBondContact OG-N 3.39Å; I134-V178 HydrophobicContact CG2-CG2 3.75Å; H138-V178 HydrophobicContact CB-CG2 3.68Å; V178-V181 HydrophobicContact CG1-CG2 3.44Å; V178-V181 VanDerWaalsContact CG1-CG2 3.44Å; V178-I186 HydrophobicContact CB-CG2 4.27Å; V178-I186 HydrophobicContact CG1-CG2 3.76Å; V178-I186 HydrophobicContact CG2-CG2 3.48Å; V178-I186 VanDerWaalsContact CG2-CG2 3.48Å; V178-E187 WeakPolarHBondContact CA-O 3.36Å; V178-L226 HydrophobicContact CG1-CD1 4.1Å; V178-L226 HydrophobicContact CG1-CD2 4.16Å
179	T	97.1	Very high	96	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-25.2	179.7	47.2	0	0	0	0	113	M90 Q177 E187 K189 L226 L236	M90-T179 WeakPolarHBondContact CE-O 3.43Å; Q177-T179 HydrophobicContact CG-CG2 4.44Å; T179-E187 PolarHBondContact N-O 3.27Å; T179-E187 PolarHBondContact OG1-OE1 3.47Å; T179-K189 HydrophobicContact CG2-CB 3.49Å; T179-K189 VanDerWaalsContact CG2-CB 3.49Å; T179-K189 HydrophobicContact CG2-CD 4Å; T179-K189 HydrophobicContact CG2-CG 4.39Å; T179-L226 VanDerWaalsContact C-CD2 3.47Å; T179-L226 WeakPolarHBondContact O-CD2 3.48Å; T179-L236 HydrophobicContact CG2-CB 4.38Å; T179-L236 HydrophobicContact CG2-CD1 4.47Å
180	W	97.3	Very high	96.2	Very high	18 Å²	18	23 Å²	23	7%	0.068	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	148.2	178.5	175.5	99.4	0	0	0	111.2	G182 S185 E187 L237 E241 K244	W180-G182 VanDerWaalsContact CH2-CA 3.46Å; W180-S185 WeakPolarHBondContact CH2-OG 3.21Å; W180-S185 VanDerWaalsContact CZ3-OG 3.29Å; W180-S185 WeakPolarHBondContact CZ3-OG 3.13Å; W180-E187 HydrophobicContact CB-CB 3.91Å; W180-E187 HydrophobicContact CE3-CB 4.06Å; W180-E187 PolarHBondContact O-N 3.49Å; W180-L237 HydrophobicContact CB-CD1 4.34Å; W180-L237 HydrophobicContact CG-CD1 4.34Å; W180-E241 PolarHBondContact NE1-OE2 2.89Å; W180-K244 HydrophobicContact CH2-CD 4.04Å; W180-K244 HydrophobicContact CZ2-CD 3.66Å
181	V	97.3	Very high	96.4	Very high	21 Å²	21	25.1 Å²	25.1	13%	0.127	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.4	179.3	174.5	0	0	0	0	110.2	V178 S185 V223 N224 L226	V178-V181 HydrophobicContact CG1-CG2 3.44Å; V178-V181 VanDerWaalsContact CG1-CG2 3.44Å; V181-S185 WeakPolarHBondContact CA-O 3.49Å; V181-V223 HydrophobicContact CG1-CG2 3.48Å; V181-V223 VanDerWaalsContact CG1-CG2 3.48Å; V181-N224 WeakPolarHBondContact CG1-O 3.41Å; V181-L226 HydrophobicContact CB-CB 4.05Å; V181-L226 HydrophobicContact CG2-CB 3.88Å; V181-L226 HydrophobicContact CG2-CD2 4.5Å
182	G	95	Very high	96.5	Very high	13 Å²	13	25.1 Å²	25.1	13%	0.134	12%	0.122	C	C	.	.			trans	-94.6	-156.4	167.5	0	0	0	0	0	111.7	Q82 W180 S185	Q82-G182 PolarHBondContact NE2-O 3.15Å; W180-G182 VanDerWaalsContact CH2-CA 3.46Å; G182-S185 WeakPolarHBondContact CA-OG 3.46Å; G182-S185 PolarHBondContact N-O 3.25Å
183	R	95.1	Very high	96.5	Very high	187 Å²	187	25.5 Å²	25.5	71%	0.706	13%	0.125	S	C	*	.	S	Bend	trans	-69.1	-41.2	178	-67.4	-173.7	-64.1	178.9	-1.6	112.8	F222 V223	R183-F222 HydrophobicContact CB-CD1 4.45Å; R183-F222 HydrophobicContact CB-CE1 4.46Å; R183-F222 WeakPolarHBondContact O-CA 3.41Å; R183-V223 PolarHBondContact O-N 3.46Å
184	S	96	Very high	96.5	Very high	31 Å²	31	24.1 Å²	24.1	22%	0.217	12%	0.119	C	C	.	.	S	Bend	trans	-138.9	11.8	-177.2	66.3	0	0	0	0	112.3	V211 A212 A221	S184-V211 WeakPolarHBondContact O-CA 3.47Å; S184-A212 PolarHBondContact O-N 2.99Å; S184-A221 WeakPolarHBondContact CA-O 3.19Å; S184-A221 WeakPolarHBondContact CB-O 3.48Å
185	S	96.5	Very high	96.4	Very high	24 Å²	24	25.5 Å²	25.5	17%	0.168	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.9	-176	51.6	0	0	0	0	109.2	W180 V181 G182 M210	W180-S185 WeakPolarHBondContact CH2-OG 3.21Å; W180-S185 VanDerWaalsContact CZ3-OG 3.29Å; W180-S185 WeakPolarHBondContact CZ3-OG 3.13Å; V181-S185 WeakPolarHBondContact CA-O 3.49Å; G182-S185 WeakPolarHBondContact CA-OG 3.46Å; G182-S185 PolarHBondContact N-O 3.25Å; S185-M210 CarbonylContact C-O 3.58Å; S185-M210 VanDerWaalsContact CA-O 3.25Å; S185-M210 WeakPolarHBondContact CA-O 3.38Å
186	I	97.9	Very high	96.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.7	-179.1	-60.1	173.9	0	0	0	106.9	T139 V178 V209 M210 V223	T139-I186 HydrophobicContact CG2-CD1 3.84Å; V178-I186 HydrophobicContact CB-CG2 4.27Å; V178-I186 HydrophobicContact CG1-CG2 3.76Å; V178-I186 HydrophobicContact CG2-CG2 3.48Å; V178-I186 VanDerWaalsContact CG2-CG2 3.48Å; I186-V209 CarbonylContact O-C 3.56Å; I186-V209 WeakPolarHBondContact O-CA 3.12Å; I186-M210 HydrophobicContact CB-CB 4.38Å; I186-M210 PolarHBondContact N-O 2.87Å; I186-M210 PolarHBondContact O-N 2.62Å; I186-V223 HydrophobicContact CD1-CB 4.19Å; I186-V223 HydrophobicContact CD1-CG1 3.89Å; I186-V223 HydrophobicContact CG1-CB 4.28Å; I186-V223 HydrophobicContact CG1-CG1 4.19Å; I186-V223 HydrophobicContact CG1-CG2 4.04Å
187	E	97.9	Very high	95.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.2	169.9	-173.1	179.3	98.7	0	0	109	V178 T179 W180 T207 F208 G240 R247	V178-E187 WeakPolarHBondContact CA-O 3.36Å; T179-E187 PolarHBondContact N-O 3.27Å; T179-E187 PolarHBondContact OG1-OE1 3.47Å; W180-E187 HydrophobicContact CB-CB 3.91Å; W180-E187 HydrophobicContact CE3-CB 4.06Å; W180-E187 PolarHBondContact O-N 3.49Å; E187-T207 HydrophobicContact CG-CG2 3.34Å; E187-F208 CarbonylContact C-O 3.59Å; E187-F208 WeakPolarHBondContact CA-O 3.23Å; E187-G240 WeakPolarHBondContact OE1-CA 3.36Å; E187-R247 IonicContact OE2-CZ 3.96Å; E187-R247 VanDerWaalsContact OE2-CZ 3.27Å; E187-R247 IonicContact OE2-NH1 2.68Å; E187-R247 PolarHBondContact OE2-NH1 2.71Å; E187-R247 IonicContact OE2-NH2 3.55Å; E187-R247 PolarHBondContact OE2-NH2 3.18Å
188	A	97.8	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.9	176	0	0	0	0	0	109.3	A131 I134 T207 F208	A131-A188 HydrophobicContact CB-CB 4.4Å; I134-A188 HydrophobicContact CB-CB 4.34Å; I134-A188 HydrophobicContact CG2-CB 3.95Å; A188-T207 WeakPolarHBondContact O-CA 3.38Å; A188-F208 PolarHBondContact N-O 2.71Å; A188-F208 PolarHBondContact O-N 3.07Å
189	K	97	Very high	94.7	Very high	59 Å²	59	37.4 Å²	37.4	26%	0.257	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.5	175.9	-165.3	172	-173.3	175.2	0	109	G176 Q177 T179 E239	G176-K189 CarbonylContact C-O 3.49Å; G176-K189 WeakPolarHBondContact CA-O 3.22Å; Q177-K189 PolarHBondContact N-O 3.15Å; Q177-K189 PolarHBondContact O-N 2.76Å; T179-K189 HydrophobicContact CG2-CB 3.49Å; T179-K189 VanDerWaalsContact CG2-CB 3.49Å; T179-K189 HydrophobicContact CG2-CD 4Å; T179-K189 HydrophobicContact CG2-CG 4.39Å; K189-E239 IonicContact NZ-OE2 2.76Å; K189-E239 PolarHBondContact NZ-OE2 3.02Å
190	M	96.4	Very high	94.5	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.8	-178.3	-67.2	173.1	-72	0	0	110.1	L127 L130 A131 I134 T175 D205 A206 F208	L127-M190 HydrophobicContact CB-CE 4.32Å; L127-M190 HydrophobicContact CD2-CB 4.43Å; L127-M190 HydrophobicContact CD2-CE 4.28Å; L127-M190 HydrophobicContact CD2-SD 4.2Å; L127-M190 WeakPolarHBondContact O-CE 3.09Å; L130-M190 HydrophobicContact CB-SD 3.58Å; L130-M190 VanDerWaalsContact CB-SD 3.58Å; A131-M190 HydrophobicContact CB-CE 3.8Å; A131-M190 HydrophobicContact CB-SD 4.41Å; I134-M190 HydrophobicContact CD1-CG 3.56Å; I134-M190 HydrophobicContact CD1-SD 3.88Å; T175-M190 CarbonylContact O-C 3.59Å; T175-M190 VanDerWaalsContact O-CA 3.3Å; T175-M190 WeakPolarHBondContact O-CA 3.48Å; M190-D205 WeakPolarHBondContact O-CA 3.39Å; M190-A206 PolarHBondContact N-O 3.17Å; M190-A206 PolarHBondContact O-N 3.29Å; M190-F208 HydrophobicContact CE-CB 4.34Å; M190-F208 HydrophobicContact CE-CD2 3.23Å; M190-F208 HydrophobicContact CE-CE2 3.57Å; M190-F208 HydrophobicContact CE-CG 3.85Å; M190-F208 HydrophobicContact CE-CZ 4.42Å
191	H	96.3	Very high	94.3	Very high	53 Å²	53	40.6 Å²	40.6	25%	0.245	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130	174	-172.4	66.4	0	0	0	108.9	F174 T175 P202 D205	F174-H191 WeakPolarHBondContact CA-O 3.46Å; T175-H191 PolarHBondContact N-O 3.4Å; T175-H191 PolarHBondContact O-N 3.49Å; H191-P202 WeakPolarHBondContact CE1-CB 3.39Å; H191-P202 WeakPolarHBondContact NE2-CB 3.42Å; H191-D205 IonicContact CE1-OD1 3.6Å; H191-D205 IonicContact CG-OD1 3.66Å; H191-D205 IonicContact ND1-OD1 3.76Å; H191-D205 PolarHBondContact ND1-OD1 3.31Å
192	M	96.1	Very high	94.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.2	175.1	178.7	-170.8	171.2	0	0	108.9	I123 I166 I172 F174 V203 L204	I123-M192 HydrophobicContact CD1-CE 4.39Å; I123-M192 HydrophobicContact CG2-CE 4.14Å; I123-M192 HydrophobicContact CG2-SD 3.79Å; I166-M192 HydrophobicContact CD1-CE 4.17Å; I166-M192 HydrophobicContact CG2-CE 4.29Å; I172-M192 HydrophobicContact CB-CE 4.49Å; I172-M192 HydrophobicContact CD1-CE 3.7Å; I172-M192 HydrophobicContact CG1-CE 4.12Å; I172-M192 HydrophobicContact CG2-CE 3.57Å; I172-M192 HydrophobicContact CG2-CG 3.79Å; I172-M192 HydrophobicContact CG2-SD 4.42Å; F174-M192 HydrophobicContact CD1-CB 3.83Å; F174-M192 HydrophobicContact CD1-CG 3.84Å; F174-M192 HydrophobicContact CE1-CB 3.89Å; F174-M192 HydrophobicContact CE1-CE 4.43Å; F174-M192 HydrophobicContact CE1-CG 3.49Å; F174-M192 VanDerWaalsContact CE1-CG 3.49Å; F174-M192 HydrophobicContact CE1-SD 3.69Å; F174-M192 HydrophobicContact CZ-CE 4.46Å; F174-M192 HydrophobicContact CZ-CG 4.25Å; F174-M192 HydrophobicContact CZ-SD 4.28Å; M192-V203 HydrophobicContact CE-CG1 4.17Å; M192-V203 HydrophobicContact CG-CB 4.31Å; M192-V203 PolarHBondContact O-N 2.98Å; M192-V203 HydrophobicContact SD-CB 4.39Å; M192-V203 HydrophobicContact SD-CG1 4.17Å; M192-L204 HydrophobicContact CB-CD1 3.66Å; M192-L204 HydrophobicContact CB-CG 3.82Å; M192-L204 HydrophobicContact CG-CG 4.37Å; M192-L204 PolarHBondContact N-O 3.14Å; M192-L204 PolarHBondContact O-N 2.94Å; M192-L204 HydrophobicContact SD-CD1 4.14Å; M192-L204 HydrophobicContact SD-CD2 3.69Å; M192-L204 HydrophobicContact SD-CG 3.71Å
193	S	95.4	Very high	94.1	Very high	9 Å²	9	41.2 Å²	41.2	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.5	176.4	60.7	0	0	0	0	110.6	I172 K173 Y200 A201	I172-S193 CarbonylContact C-O 3.58Å; I172-S193 WeakPolarHBondContact CA-O 3.4Å; K173-S193 PolarHBondContact N-O 2.99Å; K173-S193 PolarHBondContact O-N 3.4Å; K173-S193 PolarHBondContact O-OG 3.37Å; S193-Y200 WeakPolarHBondContact OG-CD1 3.42Å; S193-A201 CarbonylContact C-O 3.49Å; S193-A201 WeakPolarHBondContact CA-O 3.47Å; S193-A201 WeakPolarHBondContact CB-O 3.08Å
194	Q	94.4	Very high	94.1	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.8	179.1	-180	162.3	67.5	0	0	109.9	Y167 C170 D171 I172 Y200 A201 V203	Y167-Q194 PolarHBondContact O-NE2 3.34Å; C170-Q194 HydrophobicContact CB-CG 3.58Å; C170-Q194 PolarHBondContact O-NE2 3.34Å; C170-Q194 VanDerWaalsContact O-NE2 3.12Å; D171-Q194 WeakPolarHBondContact O-CA 3.22Å; I172-Q194 HydrophobicContact CG1-CB 4.32Å; I172-Q194 HydrophobicContact CG1-CG 4.2Å; Q194-Y200 WeakPolarHBondContact O-CA 3.18Å; Q194-A201 PolarHBondContact N-O 2.96Å; Q194-A201 PolarHBondContact O-N 2.68Å; Q194-V203 HydrophobicContact CB-CG2 3.62Å
195	Y	93.6	Very high	94	Very high	32 Å²	32	33 Å²	33	13%	0.125	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.4	-179.7	-173.2	-98.5	0	0	0	110.9	Q30 A31 P32 C170 D171 G198 Y200	Q30-Y195 WeakPolarHBondContact O-CE1 3.47Å; A31-Y195 HydrophobicContact CB-CD1 4.02Å; A31-Y195 HydrophobicContact CB-CD2 4.01Å; A31-Y195 HydrophobicContact CB-CG 3.68Å; P32-Y195 WeakPolarHBondContact CD-OH 3.36Å; C170-Y195 WeakPolarHBondContact CB-O 3.33Å; D171-Y195 PolarHBondContact O-N 3.39Å; Y195-G198 WeakPolarHBondContact OH-CA 3.47Å; Y195-Y200 AromaticContact CD2-CD2 3.98Å; Y195-Y200 HydrophobicContact CD2-CD2 3.98Å; Y195-Y200 HydrophobicContact CD2-CE1 4.46Å; Y195-Y200 AromaticContact CD2-CE2 3.89Å; Y195-Y200 HydrophobicContact CD2-CE2 3.89Å; Y195-Y200 HydrophobicContact CD2-CG 4.32Å
196	R	88.5	Confident	94	Very high	101 Å²	101	31.9 Å²	31.9	38%	0.381	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	142.9	-179.9	-168.8	-170.2	163.7	164.6	10.5	110.3	Y167 G198 A199	Y167-R196 PolarHBondContact OH-NH1 2.97Å; R196-G198 PolarHBondContact O-N 3.34Å; R196-A199 PolarHBondContact N-O 3.26Å; R196-A199 PolarHBondContact O-N 3.22Å
197	D	86.3	Confident	94	Very high	114 Å²	114	32.6 Å²	32.6	61%	0.61	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	32.2	173.2	-57.1	-39.5	0	0	0	113.3
198	G	86.3	Confident	93.9	Very high	55 Å²	55	32.5 Å²	32.5	57%	0.567	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	0.7	178.6	0	0	0	0	0	116	Y195 R196	Y195-G198 WeakPolarHBondContact OH-CA 3.47Å; R196-G198 PolarHBondContact O-N 3.34Å
199	A	91.3	Very high	93.9	Very high	57 Å²	57	33.3 Å²	33.3	47%	0.471	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.5	-178	0	0	0	0	0	113.2	R196	R196-A199 PolarHBondContact N-O 3.26Å; R196-A199 PolarHBondContact O-N 3.22Å
200	Y	92.2	Very high	93.8	Very high	60 Å²	60	30.5 Å²	30.5	24%	0.235	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.3	168.9	-80.3	-78.7	0	0	0	110.2	A31 D33 M34 K173 S193 Q194 Y195	A31-Y200 HydrophobicContact CB-CE2 4.45Å; A31-Y200 WeakPolarHBondContact CB-OH 3.45Å; D33-Y200 PolarHBondContact OD1-OH 3.3Å; D33-Y200 VanDerWaalsContact OD1-OH 3.12Å; D33-Y200 PolarHBondContact OD2-OH 3.06Å; M34-Y200 HydrophobicContact CE-CE1 4.39Å; M34-Y200 WeakPolarHBondContact CE-OH 3.41Å; K173-Y200 HydrophobicContact CB-CD1 4.11Å; K173-Y200 HydrophobicContact CB-CE1 3.52Å; K173-Y200 HydrophobicContact CD-CE1 4.41Å; K173-Y200 VanDerWaalsContact NZ-CE2 3.26Å; S193-Y200 WeakPolarHBondContact OG-CD1 3.42Å; Q194-Y200 WeakPolarHBondContact O-CA 3.18Å; Y195-Y200 AromaticContact CD2-CD2 3.98Å; Y195-Y200 HydrophobicContact CD2-CD2 3.98Å; Y195-Y200 HydrophobicContact CD2-CE1 4.46Å; Y195-Y200 AromaticContact CD2-CE2 3.89Å; Y195-Y200 HydrophobicContact CD2-CE2 3.89Å; Y195-Y200 HydrophobicContact CD2-CG 4.32Å
201	A	93.2	Very high	93.7	Very high	28 Å²	28	32.1 Å²	32.1	23%	0.231	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.1	174	0	0	0	0	0	110.4	Q163 S193 Q194	Q163-A201 VanDerWaalsContact NE2-CB 3.34Å; S193-A201 CarbonylContact C-O 3.49Å; S193-A201 WeakPolarHBondContact CA-O 3.47Å; S193-A201 WeakPolarHBondContact CB-O 3.08Å; Q194-A201 PolarHBondContact N-O 2.96Å; Q194-A201 PolarHBondContact O-N 2.68Å
202	P	94.1	Very high	93.7	Very high	48 Å²	48	29.6 Å²	29.6	31%	0.312	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.9	-179.8	29.9	-36.1	0	0	0	110.9	Q163 H191	Q163-P202 PolarHBondContact NE2-O 3.35Å; H191-P202 WeakPolarHBondContact CE1-CB 3.39Å; H191-P202 WeakPolarHBondContact NE2-CB 3.42Å
203	V	94.3	Very high	93.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-50.5	-178.3	176.8	0	0	0	0	111.2	M161 R162 Q163 I166 M192 Q194	M161-V203 HydrophobicContact CE-CG1 3.99Å; R162-V203 WeakPolarHBondContact CB-O 3.5Å; R162-V203 PolarHBondContact N-O 2.81Å; Q163-V203 PolarHBondContact N-O 3.08Å; I166-V203 HydrophobicContact CD1-CG1 4.29Å; I166-V203 HydrophobicContact CG1-CG1 3.92Å; M192-V203 HydrophobicContact CE-CG1 4.17Å; M192-V203 HydrophobicContact CG-CB 4.31Å; M192-V203 PolarHBondContact O-N 2.98Å; M192-V203 HydrophobicContact SD-CB 4.39Å; M192-V203 HydrophobicContact SD-CG1 4.17Å; Q194-V203 HydrophobicContact CB-CG2 3.62Å
204	L	94.9	Very high	93.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	160.4	178.8	61.2	80.5	0	0	0	111.3	F120 L127 I159 M161 M192 A206	F120-L204 HydrophobicContact CE2-CD2 3.66Å; F120-L204 HydrophobicContact CZ-CD2 4.08Å; L127-L204 HydrophobicContact CD1-CD1 4.09Å; I159-L204 HydrophobicContact CG2-CB 4.15Å; I159-L204 HydrophobicContact CG2-CD1 4.29Å; I159-L204 HydrophobicContact CG2-CD2 4.15Å; I159-L204 HydrophobicContact CG2-CG 4.42Å; M161-L204 HydrophobicContact CE-CD2 4.16Å; M161-L204 HydrophobicContact SD-CB 4.23Å; M161-L204 HydrophobicContact SD-CD2 3.79Å; M192-L204 HydrophobicContact CB-CD1 3.66Å; M192-L204 HydrophobicContact CB-CG 3.82Å; M192-L204 HydrophobicContact CG-CG 4.37Å; M192-L204 PolarHBondContact N-O 3.14Å; M192-L204 PolarHBondContact O-N 2.94Å; M192-L204 HydrophobicContact SD-CD1 4.14Å; M192-L204 HydrophobicContact SD-CD2 3.69Å; M192-L204 HydrophobicContact SD-CG 3.71Å; L204-A206 HydrophobicContact CD1-CB 4.27Å
205	D	94.7	Very high	92.9	Very high	46 Å²	46	34.5 Å²	34.5	25%	0.246	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.9	162.6	-61.1	-60.5	0	0	0	108.9	R162 M190 H191	R162-D205 IonicContact CZ-OD2 3.78Å; R162-D205 IonicContact NE-OD2 3.3Å; R162-D205 PolarHBondContact NE-OD2 3.01Å; R162-D205 IonicContact NH2-OD1 2.79Å; R162-D205 IonicContact NH2-OD2 3.94Å; R162-D205 PolarHBondContact NH2-OD2 3.44Å; M190-D205 WeakPolarHBondContact O-CA 3.39Å; H191-D205 IonicContact CE1-OD1 3.6Å; H191-D205 IonicContact CG-OD1 3.66Å; H191-D205 IonicContact ND1-OD1 3.76Å; H191-D205 PolarHBondContact ND1-OD1 3.31Å
206	A	95.8	Very high	92.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.5	174.5	0	0	0	0	0	110.8	L127 I159 M190 L204 F208	L127-A206 HydrophobicContact CD1-CB 4.21Å; I159-A206 HydrophobicContact CD1-CB 3.83Å; I159-A206 HydrophobicContact CG1-CB 3.91Å; M190-A206 PolarHBondContact N-O 3.17Å; M190-A206 PolarHBondContact O-N 3.29Å; L204-A206 HydrophobicContact CD1-CB 4.27Å; A206-F208 HydrophobicContact CB-CD2 4.2Å; A206-F208 HydrophobicContact CB-CE2 3.81Å
207	T	96.8	Very high	92.1	Very high	15 Å²	15	30.5 Å²	30.5	9%	0.092	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122	177.1	-57.1	0	0	0	0	108.9	D157 E187 A188	D157-T207 PolarHBondContact N-O 3.3Å; D157-T207 WeakPolarHBondContact OD2-CB 3.3Å; D157-T207 WeakPolarHBondContact OD2-CG2 3.3Å; E187-T207 HydrophobicContact CG-CG2 3.34Å; A188-T207 WeakPolarHBondContact O-CA 3.38Å
208	F	97.1	Very high	92	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.4	-178.7	-80.1	-119.3	0	0	0	109.4	L127 D128 A131 T153 V156 E187 A188 M190 A206 M210 M323	L127-F208 HydrophobicContact CB-CE2 3.98Å; L127-F208 HydrophobicContact CB-CZ 3.82Å; D128-F208 HydrophobicContact CB-CE1 4Å; A131-F208 HydrophobicContact CB-CB 3.54Å; A131-F208 HydrophobicContact CB-CD1 3.71Å; A131-F208 HydrophobicContact CB-CD2 4.44Å; A131-F208 HydrophobicContact CB-CG 3.66Å; T153-F208 HydrophobicContact CG2-CD1 3.9Å; T153-F208 HydrophobicContact CG2-CE1 4.38Å; V156-F208 HydrophobicContact CB-CE1 4.42Å; V156-F208 HydrophobicContact CB-CZ 4.44Å; V156-F208 HydrophobicContact CG1-CD1 4.4Å; V156-F208 HydrophobicContact CG1-CD2 3.88Å; V156-F208 HydrophobicContact CG1-CE1 4.1Å; V156-F208 HydrophobicContact CG1-CE2 3.55Å; V156-F208 HydrophobicContact CG1-CG 4.29Å; V156-F208 HydrophobicContact CG1-CZ 3.66Å; V156-F208 HydrophobicContact CG2-CD1 3.62Å; V156-F208 HydrophobicContact CG2-CE1 3.43Å; V156-F208 VanDerWaalsContact CG2-CE1 3.43Å; V156-F208 HydrophobicContact CG2-CE2 4.39Å; V156-F208 HydrophobicContact CG2-CG 4.18Å; V156-F208 HydrophobicContact CG2-CZ 3.85Å; E187-F208 CarbonylContact C-O 3.59Å; E187-F208 WeakPolarHBondContact CA-O 3.23Å; A188-F208 PolarHBondContact N-O 2.71Å; A188-F208 PolarHBondContact O-N 3.07Å; M190-F208 HydrophobicContact CE-CB 4.34Å; M190-F208 HydrophobicContact CE-CD2 3.23Å; M190-F208 HydrophobicContact CE-CE2 3.57Å; M190-F208 HydrophobicContact CE-CG 3.85Å; M190-F208 HydrophobicContact CE-CZ 4.42Å; A206-F208 HydrophobicContact CB-CD2 4.2Å; A206-F208 HydrophobicContact CB-CE2 3.81Å; F208-M210 HydrophobicContact CB-SD 4.07Å; F208-M210 HydrophobicContact CD1-SD 4.47Å; F208-M323 HydrophobicContact CE1-CE 3.95Å; F208-M323 HydrophobicContact CZ-CE 4.31Å
209	V	96.7	Very high	92.2	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.097	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.3	170.1	-175.3	0	0	0	0	108.8	A154 L155 I186	A154-V209 WeakPolarHBondContact CB-O 3.33Å; A154-V209 PolarHBondContact N-O 3.33Å; L155-V209 HydrophobicContact CB-CB 4.14Å; L155-V209 HydrophobicContact CB-CG2 4.49Å; L155-V209 HydrophobicContact CD2-CB 4.45Å; L155-V209 HydrophobicContact CD2-CG2 3.92Å; L155-V209 PolarHBondContact N-O 3.1Å; L155-V209 VanDerWaalsContact N-O 3.1Å; L155-V209 PolarHBondContact O-N 3.43Å; I186-V209 CarbonylContact O-C 3.56Å; I186-V209 WeakPolarHBondContact O-CA 3.12Å
210	M	95.8	Very high	92.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	146.5	178.5	-49.6	-55	-69.9	0	0	109.4	A131 V132 S135 I151 V152 T153 S185 I186 F208	A131-M210 HydrophobicContact CB-CE 4.42Å; A131-M210 HydrophobicContact CB-CG 4.38Å; A131-M210 HydrophobicContact CB-SD 3.82Å; V132-M210 HydrophobicContact CB-CE 4.24Å; V132-M210 HydrophobicContact CG2-CE 3.35Å; S135-M210 VanDerWaalsContact OG-CG 3.28Å; S135-M210 WeakPolarHBondContact OG-CG 3.37Å; I151-M210 HydrophobicContact CG2-CB 3.79Å; I151-M210 HydrophobicContact CG2-CE 4.21Å; V152-M210 WeakPolarHBondContact O-CA 3.42Å; T153-M210 HydrophobicContact CG2-SD 4.03Å; T153-M210 WeakPolarHBondContact OG1-CE 3.35Å; S185-M210 CarbonylContact C-O 3.58Å; S185-M210 VanDerWaalsContact CA-O 3.25Å; S185-M210 WeakPolarHBondContact CA-O 3.38Å; I186-M210 HydrophobicContact CB-CB 4.38Å; I186-M210 PolarHBondContact N-O 2.87Å; I186-M210 PolarHBondContact O-N 2.62Å; F208-M210 HydrophobicContact CB-SD 4.07Å; F208-M210 HydrophobicContact CD1-SD 4.47Å
211	V	94.9	Very high	92.6	Very high	37 Å²	37	37.7 Å²	37.7	22%	0.224	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.6	175.3	-67.2	0	0	0	0	110.7	I151 V152 A154 S184	I151-V211 WeakPolarHBondContact CA-O 3.41Å; V152-V211 HydrophobicContact CG2-CG2 3.52Å; V152-V211 PolarHBondContact N-O 3.13Å; V152-V211 PolarHBondContact O-N 3.5Å; A154-V211 HydrophobicContact CB-CB 4.33Å; A154-V211 HydrophobicContact CB-CG1 3.57Å; A154-V211 HydrophobicContact CB-CG2 3.91Å; S184-V211 WeakPolarHBondContact O-CA 3.47Å
212	A	95.1	Very high	92.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.1	175.5	0	0	0	0	0	110.4	L149 I151 S184 A221 V223	L149-A212 HydrophobicContact CD2-CB 4.41Å; I151-A212 HydrophobicContact CG1-CB 4.3Å; S184-A212 PolarHBondContact O-N 2.99Å; A212-A221 PolarHBondContact O-N 2.85Å; A212-V223 HydrophobicContact CB-CG1 3.27Å
213	R	93	Very high	92.9	Very high	79 Å²	79	37.5 Å²	37.5	30%	0.298	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	163.4	-179.8	-55.4	-169.3	76.1	152.2	3.5	110.4	S150 N217 K218 R219	S150-R213 PolarHBondContact N-O 2.93Å; S150-R213 PolarHBondContact O-N 2.86Å; R213-N217 WeakPolarHBondContact CD-OD1 3.46Å; R213-K218 PolarHBondContact NH2-O 2.75Å; R213-R219 CarbonylContact C-O 3.55Å; R213-R219 WeakPolarHBondContact CA-O 3.27Å; R213-R219 VanDerWaalsContact CB-O 3.29Å; R213-R219 WeakPolarHBondContact CB-O 3.37Å
214	D	90.8	Very high	93.1	Very high	27 Å²	27	38 Å²	38	14%	0.144	19%	0.192	C	C	.	.			trans	-59.7	162.4	171	70.2	-33.3	0	0	0	111.3	L78 S150 G216 N217 K218 R219	L78-D214 HydrophobicContact CD1-CB 3.8Å; S150-D214 WeakPolarHBondContact CB-O 3.19Å; D214-G216 PolarHBondContact O-N 3.23Å; D214-G216 VanDerWaalsContact O-N 3.09Å; D214-N217 WeakPolarHBondContact O-CA 3.35Å; D214-N217 PolarHBondContact O-N 3.12Å; D214-N217 WeakPolarHBondContact OD1-CA 3.35Å; D214-N217 PolarHBondContact OD1-N 2.99Å; D214-N217 VanDerWaalsContact OD1-N 3.17Å; D214-K218 PolarHBondContact OD1-N 3.25Å; D214-R219 PolarHBondContact N-O 2.75Å; D214-R219 PolarHBondContact OD1-N 3.24Å
215	P	86.1	Confident	93.2	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.058	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.4	-177.3	-16.2	16.5	0	0	0	114.3	R71 L74 A75 P148 N217	R71-P215 HydrophobicContact CB-CB 4.35Å; R71-P215 WeakPolarHBondContact O-CB 3.38Å; R71-P215 WeakPolarHBondContact O-CG 3.4Å; L74-P215 HydrophobicContact CB-CG 4.03Å; A75-P215 HydrophobicContact CB-CG 4.19Å; P148-P215 VanDerWaalsContact O-CD 3.25Å; P148-P215 WeakPolarHBondContact O-CD 3.4Å; P148-P215 WeakPolarHBondContact O-CG 3.32Å; P215-N217 VanDerWaalsContact C-N 3.29Å
216	G	81.6	Confident	93.3	Very high	30 Å²	30	38.9 Å²	38.9	31%	0.309	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.8	175.3	0	0	0	0	0	114.6	D214 K218	D214-G216 PolarHBondContact O-N 3.23Å; D214-G216 VanDerWaalsContact O-N 3.09Å; G216-K218 VanDerWaalsContact C-N 3.32Å; G216-K218 PolarHBondContact O-N 2.88Å
217	N	83.4	Confident	93.3	Very high	18 Å²	18	40.6 Å²	40.6	10%	0.096	21%	0.213	C	C	.	.	S	Bend	trans	53.3	42.4	-178	-158.5	95.2	0	0	0	114.2	S150 R213 D214 P215 R316	S150-N217 PolarHBondContact OG-OD1 3.09Å; S150-N217 VanDerWaalsContact OG-OD1 3.07Å; R213-N217 WeakPolarHBondContact CD-OD1 3.46Å; D214-N217 WeakPolarHBondContact O-CA 3.35Å; D214-N217 PolarHBondContact O-N 3.12Å; D214-N217 WeakPolarHBondContact OD1-CA 3.35Å; D214-N217 PolarHBondContact OD1-N 2.99Å; D214-N217 VanDerWaalsContact OD1-N 3.17Å; P215-N217 VanDerWaalsContact C-N 3.29Å; N217-R316 PolarHBondContact ND2-NH1 2.87Å
218	K	85.1	Confident	93.2	Very high	167 Å²	167	41.6 Å²	41.6	73%	0.726	22%	0.22	S	C	*	.	S	Bend	trans	-107.5	-45.4	177.1	-64.3	-177.2	-178.6	-178.8	0	111.5	R213 D214 G216	R213-K218 PolarHBondContact NH2-O 2.75Å; D214-K218 PolarHBondContact OD1-N 3.25Å; G216-K218 VanDerWaalsContact C-N 3.32Å; G216-K218 PolarHBondContact O-N 2.88Å
219	R	90.6	Very high	93.1	Very high	195 Å²	195	45.8 Å²	45.8	74%	0.736	24%	0.239	S	C	*	.	S	Bend	trans	-115.2	156.1	-173	-63.7	-178.1	179.5	179.4	-0.1	111.6	R213 D214	R213-R219 CarbonylContact C-O 3.55Å; R213-R219 WeakPolarHBondContact CA-O 3.27Å; R213-R219 VanDerWaalsContact CB-O 3.29Å; R213-R219 WeakPolarHBondContact CB-O 3.37Å; D214-R219 PolarHBondContact N-O 2.75Å; D214-R219 PolarHBondContact OD1-N 3.24Å
220	A	94.7	Very high	93	Very high	71 Å²	71	47.2 Å²	47.2	59%	0.587	26%	0.257	S	S	*	.	B	Isolated β-bridge	trans	-67.4	144.1	170.6	0	0	0	0	0	109.9
221	A	95.9	Very high	93	Very high	5 Å²	5	52.8 Å²	52.8	4%	0.041	29%	0.294	C	S	.	.			trans	-121.3	144.2	176.2	0	0	0	0	0	110.4	L78 L149 S184 A212	L78-A221 HydrophobicContact CD2-CB 4.16Å; L149-A221 HydrophobicContact CD2-CB 3.52Å; S184-A221 WeakPolarHBondContact CA-O 3.19Å; S184-A221 WeakPolarHBondContact CB-O 3.48Å; A212-A221 PolarHBondContact O-N 2.85Å
222	F	97.4	Very high	93	Very high	71 Å²	71	58.8 Å²	58.8	31%	0.311	32%	0.319	S	S	.	.			trans	-70.4	146.6	-179.1	-64.7	-73.6	0	0	0	111.8	R80 Q82 L85 R183	R80-F222 WeakPolarHBondContact O-CE2 3.12Å; Q82-F222 HydrophobicContact CB-CD1 4.05Å; L85-F222 HydrophobicContact CD1-CB 4Å; R183-F222 HydrophobicContact CB-CD1 4.45Å; R183-F222 HydrophobicContact CB-CE1 4.46Å; R183-F222 WeakPolarHBondContact O-CA 3.41Å
223	V	97.4	Very high	93	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.325	C	S	.	.			trans	-123.1	155	177.4	-64.2	0	0	0	0	111	Q82 T139 L149 V181 R183 I186 A212	Q82-V223 WeakPolarHBondContact CG-O 3.32Å; Q82-V223 PolarHBondContact NE2-O 3.39Å; T139-V223 HydrophobicContact CG2-CB 4.21Å; T139-V223 HydrophobicContact CG2-CG1 4.07Å; L149-V223 HydrophobicContact CD1-CG1 4.47Å; V181-V223 HydrophobicContact CG1-CG2 3.48Å; V181-V223 VanDerWaalsContact CG1-CG2 3.48Å; R183-V223 PolarHBondContact O-N 3.46Å; I186-V223 HydrophobicContact CD1-CB 4.19Å; I186-V223 HydrophobicContact CD1-CG1 3.89Å; I186-V223 HydrophobicContact CG1-CB 4.28Å; I186-V223 HydrophobicContact CG1-CG1 4.19Å; I186-V223 HydrophobicContact CG1-CG2 4.04Å; A212-V223 HydrophobicContact CB-CG1 3.27Å
224	N	97.7	Very high	93.1	Very high	11 Å²	11	60.1 Å²	60.1	6%	0.059	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-55.2	129.2	-179.7	-65.3	75	0	0	0	111.4	P86 K88 H138 V181	P86-N224 WeakPolarHBondContact CD-ND2 3.41Å; P86-N224 WeakPolarHBondContact O-CB 3.42Å; P86-N224 PolarHBondContact O-ND2 3.24Å; K88-N224 HydrophobicContact CB-CB 4.32Å; K88-N224 HydrophobicContact CG-CB 3.61Å; H138-N224 PolarHBondContact NE2-O 2.68Å; V181-N224 WeakPolarHBondContact CG1-O 3.41Å
225	P	97.3	Very high	93.3	Very high	39 Å²	39	64.9 Å²	64.9	25%	0.253	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.3	149.3	175.2	24.8	-29.2	0	0	0	110.8	Q82 A87 K88	Q82-P225 HydrophobicContact CG-CB 4.42Å; Q82-P225 HydrophobicContact CG-CG 4.42Å; A87-P225 CarbonylContact C-O 3.51Å; A87-P225 WeakPolarHBondContact CA-O 3.37Å; A87-P225 HydrophobicContact CB-CG 4.13Å; K88-P225 PolarHBondContact N-O 3.48Å
226	L	96.8	Very high	93.8	Very high	25 Å²	25	66.4 Å²	66.4	13%	0.131	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-92	130.9	177.6	-166.9	68.2	0	0	0	109.8	K88 M90 V178 T179 V181 L237	K88-L226 CarbonylContact O-C 3.59Å; K88-L226 WeakPolarHBondContact O-CA 3.47Å; M90-L226 HydrophobicContact CE-CD2 3.82Å; M90-L226 HydrophobicContact CG-CD1 4.1Å; M90-L226 HydrophobicContact CG-CD2 4.19Å; M90-L226 HydrophobicContact CG-CG 4.4Å; V178-L226 HydrophobicContact CG1-CD1 4.1Å; V178-L226 HydrophobicContact CG1-CD2 4.16Å; T179-L226 VanDerWaalsContact C-CD2 3.47Å; T179-L226 WeakPolarHBondContact O-CD2 3.48Å; V181-L226 HydrophobicContact CB-CB 4.05Å; V181-L226 HydrophobicContact CG2-CB 3.88Å; V181-L226 HydrophobicContact CG2-CD2 4.5Å; L226-L237 HydrophobicContact CD2-CD1 4.21Å
227	A	96.2	Very high	94.4	Very high	37 Å²	37	66.9 Å²	66.9	31%	0.306	35%	0.351	S	S	.	.			trans	-116.5	104.2	174.3	0	0	0	0	0	108.7	A87 K88	A87-A227 HydrophobicContact CB-CB 4.02Å; K88-A227 PolarHBondContact O-N 3.21Å
228	P	94.1	Very high	95	Very high	35 Å²	35	71.8 Å²	71.8	23%	0.227	37%	0.373	C	S	.	.			trans	-69.2	142.8	177.5	29.3	-34.8	0	0	0	111.2	M90 E233 E234 L237	M90-P228 HydrophobicContact CE-CB 4.48Å; P228-E233 WeakPolarHBondContact CA-OE2 3.5Å; P228-E233 HydrophobicContact CB-CB 3.61Å; P228-E234 WeakPolarHBondContact CG-OE2 3.47Å; P228-L237 HydrophobicContact CG-CD2 3.84Å
229	E	95.1	Very high	95.4	Very high	89 Å²	89	66.9 Å²	66.9	42%	0.416	35%	0.353	S	S	.	.			trans	-108.1	104	172.8	-71.8	-176	154.1	0	0	110.4	R89 K91 E233	R89-E229 WeakPolarHBondContact CD-OE1 3.46Å; R89-E229 HydrophobicContact CG-CG 4.25Å; R89-E229 IonicContact CZ-OE1 3.85Å; R89-E229 IonicContact NE-OE1 2.76Å; R89-E229 IonicContact NH1-OE1 3.77Å; R89-E229 PolarHBondContact NH1-OE1 3.13Å; R89-E229 IonicContact NH1-OE2 3.67Å; K91-E229 WeakPolarHBondContact CE-OE2 3.06Å; K91-E229 IonicContact NZ-OE1 3.44Å; K91-E229 IonicContact NZ-OE2 3.94Å; K91-E229 PolarHBondContact NZ-OE2 3.31Å; E229-E233 PolarHBondContact N-OE2 2.7Å
230	G	95	Very high	95.5	Very high	46 Å²	46	57.6 Å²	57.6	47%	0.474	32%	0.317	S	S	.	.	H	α-helix	trans	88.3	177.6	173.6	0	0	0	0	0	115	E232 E234	G230-E232 VanDerWaalsContact C-N 3.34Å; G230-E232 PolarHBondContact O-N 3.26Å; G230-E234 WeakPolarHBondContact O-CB 3.13Å; G230-E234 PolarHBondContact O-N 2.82Å; G230-E234 VanDerWaalsContact O-N 3.1Å
231	P	95.4	Very high	95.4	Very high	117 Å²	117	58 Å²	58	76%	0.76	31%	0.307	S	S	*	.	H	α-helix	trans	-68.8	-29.3	-170	26.4	-34.6	0	0	0	113.7	K235	P231-K235 PolarHBondContact O-N 2.9Å; P231-K235 VanDerWaalsContact O-N 3.09Å
232	E	93.9	Very high	95.3	Very high	162 Å²	162	60.6 Å²	60.6	76%	0.757	33%	0.329	S	S	*	.	H	α-helix	trans	-70.2	-46.7	178.9	-65.1	-174.4	172.5	0	0	111.8	G230 E234 K235 L236	G230-E232 VanDerWaalsContact C-N 3.34Å; G230-E232 PolarHBondContact O-N 3.26Å; E232-E234 VanDerWaalsContact C-N 3.34Å; E232-K235 WeakPolarHBondContact O-CB 3.48Å; E232-K235 PolarHBondContact O-N 3.04Å; E232-L236 PolarHBondContact O-N 2.87Å; E232-L236 VanDerWaalsContact O-N 3.13Å
233	E	95.4	Very high	95	Very high	29 Å²	29	59 Å²	59	14%	0.136	32%	0.324	C	S	.	.	H	α-helix	trans	-67.9	-34.8	176.3	-66.3	-164.2	178.5	0	0	111.7	M90 P228 E229 K235 L236 L237	M90-E233 HydrophobicContact CE-CB 4Å; M90-E233 WeakPolarHBondContact CE-O 3.49Å; M90-E233 HydrophobicContact CG-CB 4.47Å; M90-E233 HydrophobicContact CG-CG 4.25Å; M90-E233 HydrophobicContact SD-CB 3.84Å; M90-E233 HydrophobicContact SD-CG 3.81Å; P228-E233 WeakPolarHBondContact CA-OE2 3.5Å; P228-E233 HydrophobicContact CB-CB 3.61Å; E229-E233 PolarHBondContact N-OE2 2.7Å; E233-K235 VanDerWaalsContact C-N 3.32Å; E233-K235 PolarHBondContact O-N 2.84Å; E233-L236 PolarHBondContact O-N 3.13Å; E233-L237 PolarHBondContact O-N 2.87Å
234	E	95.1	Very high	94.7	Very high	80 Å²	80	63 Å²	63	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-40.9	174.4	-167.9	63.8	-148.9	0	0	111.4	P228 G230 E232 L237 Q238	P228-E234 WeakPolarHBondContact CG-OE2 3.47Å; G230-E234 WeakPolarHBondContact O-CB 3.13Å; G230-E234 PolarHBondContact O-N 2.82Å; G230-E234 VanDerWaalsContact O-N 3.1Å; E232-E234 VanDerWaalsContact C-N 3.34Å; E234-L237 PolarHBondContact O-N 3.23Å; E234-Q238 VanDerWaalsContact O-CG 3.31Å; E234-Q238 WeakPolarHBondContact O-CG 3.25Å; E234-Q238 PolarHBondContact O-N 2.74Å
235	K	95.9	Very high	94.3	Very high	127 Å²	127	65.2 Å²	65.2	55%	0.552	36%	0.358	S	S	*	.	H	α-helix	trans	-62.3	-44.1	174.5	-174.4	-174.3	174.3	-170.5	0	111.6	P231 E232 E233 L237 Q238 E239	P231-K235 PolarHBondContact O-N 2.9Å; P231-K235 VanDerWaalsContact O-N 3.09Å; E232-K235 WeakPolarHBondContact O-CB 3.48Å; E232-K235 PolarHBondContact O-N 3.04Å; E233-K235 VanDerWaalsContact C-N 3.32Å; E233-K235 PolarHBondContact O-N 2.84Å; K235-L237 VanDerWaalsContact C-N 3.3Å; K235-L237 PolarHBondContact O-N 3Å; K235-Q238 PolarHBondContact O-N 2.99Å; K235-E239 WeakPolarHBondContact CE-OE1 3.08Å; K235-E239 WeakPolarHBondContact O-CG 3.47Å; K235-E239 PolarHBondContact O-N 3.04Å
236	L	94.8	Very high	93.9	Very high	41 Å²	41	67 Å²	67	22%	0.215	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-38.2	176.8	-71.1	174	0	0	0	112	M90 T179 E232 E233 E239 G240	M90-L236 HydrophobicContact CE-CB 3.89Å; M90-L236 HydrophobicContact SD-CB 4.16Å; M90-L236 HydrophobicContact SD-CD1 3.95Å; T179-L236 HydrophobicContact CG2-CB 4.38Å; T179-L236 HydrophobicContact CG2-CD1 4.47Å; E232-L236 PolarHBondContact O-N 2.87Å; E232-L236 VanDerWaalsContact O-N 3.13Å; E233-L236 PolarHBondContact O-N 3.13Å; L236-E239 PolarHBondContact O-N 2.9Å; L236-G240 PolarHBondContact O-N 2.76Å
237	L	95.3	Very high	93.4	Very high	39 Å²	39	67.3 Å²	67.3	20%	0.204	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-42.3	175.6	-178.3	66.6	0	0	0	111.6	M90 W180 L226 P228 E233 E234 K235 G240 E241	M90-L237 HydrophobicContact CE-CB 4.27Å; W180-L237 HydrophobicContact CB-CD1 4.34Å; W180-L237 HydrophobicContact CG-CD1 4.34Å; L226-L237 HydrophobicContact CD2-CD1 4.21Å; P228-L237 HydrophobicContact CG-CD2 3.84Å; E233-L237 PolarHBondContact O-N 2.87Å; E234-L237 PolarHBondContact O-N 3.23Å; K235-L237 VanDerWaalsContact C-N 3.3Å; K235-L237 PolarHBondContact O-N 3Å; L237-G240 PolarHBondContact O-N 2.96Å; L237-E241 PolarHBondContact O-N 2.91Å; L237-E241 VanDerWaalsContact O-N 3.08Å
238	Q	95.1	Very high	92.8	Very high	121 Å²	121	70 Å²	70	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-63.6	-42	175.2	-70.8	172.3	12.2	0	0	112	E234 K235 G240 E241 A242	E234-Q238 VanDerWaalsContact O-CG 3.31Å; E234-Q238 WeakPolarHBondContact O-CG 3.25Å; E234-Q238 PolarHBondContact O-N 2.74Å; K235-Q238 PolarHBondContact O-N 2.99Å; Q238-G240 VanDerWaalsContact C-N 3.3Å; Q238-G240 PolarHBondContact O-N 2.88Å; Q238-E241 PolarHBondContact O-N 2.93Å; Q238-A242 PolarHBondContact O-N 3.14Å
239	E	94.1	Very high	92.3	Very high	64 Å²	64	74.3 Å²	74.3	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-56.8	-43.9	172.2	-75	175.6	-165.4	0	0	111.1	K189 K235 L236 E241 A242 N243	K189-E239 IonicContact NZ-OE2 2.76Å; K189-E239 PolarHBondContact NZ-OE2 3.02Å; K235-E239 WeakPolarHBondContact CE-OE1 3.08Å; K235-E239 WeakPolarHBondContact O-CG 3.47Å; K235-E239 PolarHBondContact O-N 3.04Å; L236-E239 PolarHBondContact O-N 2.9Å; E239-E241 PolarHBondContact O-N 3.32Å; E239-A242 PolarHBondContact O-N 2.8Å; E239-N243 WeakPolarHBondContact O-CB 3.25Å; E239-N243 PolarHBondContact O-N 3.12Å; E239-N243 PolarHBondContact O-ND2 2.94Å
240	G	92.8	Very high	91.6	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-63	-38.8	177	0	0	0	0	0	114.1	E187 L236 L237 Q238 N243 K244	E187-G240 WeakPolarHBondContact OE1-CA 3.36Å; L236-G240 PolarHBondContact O-N 2.76Å; L237-G240 PolarHBondContact O-N 2.96Å; Q238-G240 VanDerWaalsContact C-N 3.3Å; Q238-G240 PolarHBondContact O-N 2.88Å; G240-N243 PolarHBondContact O-N 2.78Å; G240-K244 PolarHBondContact O-N 3.25Å
241	E	93	Very high	90.7	Very high	79 Å²	79	73.6 Å²	73.6	37%	0.369	38%	0.381	S	S	.	.	H	α-helix	trans	-68.8	-37.3	174.8	-167.5	64.1	-155.3	0	0	111.5	W180 L237 Q238 E239 K244 S245	W180-E241 PolarHBondContact NE1-OE2 2.89Å; L237-E241 PolarHBondContact O-N 2.91Å; L237-E241 VanDerWaalsContact O-N 3.08Å; Q238-E241 PolarHBondContact O-N 2.93Å; E239-E241 PolarHBondContact O-N 3.32Å; E241-K244 WeakPolarHBondContact O-CB 3.41Å; E241-K244 PolarHBondContact O-N 3.35Å; E241-K244 IonicContact OE1-NZ 3.02Å; E241-K244 PolarHBondContact OE1-NZ 3.23Å; E241-K244 IonicContact OE2-NZ 3.83Å; E241-S245 PolarHBondContact O-N 3.03Å; E241-S245 PolarHBondContact O-OG 2.87Å
242	A	93.6	Very high	89.9	Confident	60 Å²	60	72.1 Å²	72.1	50%	0.496	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-42.6	172.7	0	0	0	0	0	111.8	Q238 E239 K244 S245 R246	Q238-A242 PolarHBondContact O-N 3.14Å; E239-A242 PolarHBondContact O-N 2.8Å; A242-K244 VanDerWaalsContact C-N 3.32Å; A242-K244 PolarHBondContact O-N 3.37Å; A242-S245 PolarHBondContact O-N 3.44Å; A242-S245 VanDerWaalsContact O-N 3.15Å; A242-R246 PolarHBondContact O-N 3.44Å
243	N	91.8	Very high	89	Confident	38 Å²	38	66.8 Å²	66.8	20%	0.203	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-42.2	176.1	-71.2	-25.8	0	0	0	111.7	E239 G240 S245 R246 R247	E239-N243 WeakPolarHBondContact O-CB 3.25Å; E239-N243 PolarHBondContact O-N 3.12Å; E239-N243 PolarHBondContact O-ND2 2.94Å; G240-N243 PolarHBondContact O-N 2.78Å; N243-S245 PolarHBondContact O-N 2.94Å; N243-R246 WeakPolarHBondContact O-CB 3.12Å; N243-R246 PolarHBondContact O-N 2.87Å; N243-R247 VanDerWaalsContact O-CG 3.22Å; N243-R247 WeakPolarHBondContact O-CG 3.32Å; N243-R247 PolarHBondContact O-N 2.91Å
244	K	89.3	Confident	88.2	Confident	84 Å²	84	67.2 Å²	67.2	37%	0.365	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-46.1	174.3	173.2	-165.8	170.6	-161.3	0	111.9	W180 G240 E241 A242 R247 V248	W180-K244 HydrophobicContact CH2-CD 4.04Å; W180-K244 HydrophobicContact CZ2-CD 3.66Å; G240-K244 PolarHBondContact O-N 3.25Å; E241-K244 WeakPolarHBondContact O-CB 3.41Å; E241-K244 PolarHBondContact O-N 3.35Å; E241-K244 IonicContact OE1-NZ 3.02Å; E241-K244 PolarHBondContact OE1-NZ 3.23Å; E241-K244 IonicContact OE2-NZ 3.83Å; A242-K244 VanDerWaalsContact C-N 3.32Å; A242-K244 PolarHBondContact O-N 3.37Å; K244-R247 PolarHBondContact O-N 2.77Å; K244-V248 WeakPolarHBondContact O-CG2 3.38Å; K244-V248 PolarHBondContact O-N 2.79Å
245	S	89.1	Confident	87.4	Confident	58 Å²	58	64.7 Å²	64.7	41%	0.406	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-46.4	176.6	-62.7	0	0	0	0	111.4	E241 A242 N243 R247 V248 E249	E241-S245 PolarHBondContact O-N 3.03Å; E241-S245 PolarHBondContact O-OG 2.87Å; A242-S245 PolarHBondContact O-N 3.44Å; A242-S245 VanDerWaalsContact O-N 3.15Å; N243-S245 PolarHBondContact O-N 2.94Å; S245-R247 VanDerWaalsContact C-N 3.34Å; S245-R247 PolarHBondContact O-N 3.08Å; S245-V248 WeakPolarHBondContact O-CB 3.2Å; S245-V248 PolarHBondContact O-N 2.83Å; S245-V248 VanDerWaalsContact O-N 3.1Å; S245-E249 PolarHBondContact O-N 2.78Å
246	R	88.9	Confident	86.5	Confident	76 Å²	76	66.1 Å²	66.1	29%	0.287	36%	0.361	S	S	.	.	H	α-helix	trans	-54.4	-45.5	174.8	-176.5	-171.6	69.1	81.5	0.2	112.5	D157 A242 N243 V248 E249 L250 D349	D157-R246 VanDerWaalsContact CG-NH2 3.34Å; D157-R246 IonicContact OD1-NH2 2.61Å; D157-R246 PolarHBondContact OD1-NH2 2.79Å; D157-R246 VanDerWaalsContact OD1-NH2 3.15Å; D157-R246 IonicContact OD2-NH2 3.81Å; A242-R246 PolarHBondContact O-N 3.44Å; N243-R246 WeakPolarHBondContact O-CB 3.12Å; N243-R246 PolarHBondContact O-N 2.87Å; R246-V248 VanDerWaalsContact C-N 3.3Å; R246-V248 PolarHBondContact O-N 2.84Å; R246-E249 PolarHBondContact O-N 2.81Å; R246-L250 HydrophobicContact CG-CD1 4.13Å; R246-L250 WeakPolarHBondContact O-CG 3.45Å; R246-L250 PolarHBondContact O-N 3.23Å; R246-D349 IonicContact CZ-OD1 3.16Å; R246-D349 IonicContact CZ-OD2 2.7Å; R246-D349 IonicContact NH1-OD1 2.66Å; R246-D349 IonicContact NH1-OD2 3.7Å; R246-D349 PolarHBondContact NH1-OD2 3.35Å; R246-D349 IonicContact NH2-OD1 2.72Å; R246-D349 PolarHBondContact NH2-OD1 2.82Å; R246-D349 IonicContact NH2-OD2 3.03Å
247	R	87.3	Confident	85.7	Confident	32 Å²	32	70.8 Å²	70.8	12%	0.121	38%	0.38	C	S	.	.	H	α-helix	trans	-61.6	-37.8	178.9	-68.8	163.7	-168.4	140.6	-4	112.1	L155 D157 E187 N243 K244 S245 S251	L155-R247 HydrophobicContact CD1-CG 4.37Å; D157-R247 VanDerWaalsContact CG-NH2 3.32Å; D157-R247 IonicContact OD1-CZ 3.01Å; D157-R247 IonicContact OD1-NE 3.15Å; D157-R247 PolarHBondContact OD1-NE 3.04Å; D157-R247 IonicContact OD1-NH2 3.91Å; D157-R247 PolarHBondContact OD1-NH2 2.67Å; D157-R247 IonicContact OD2-CZ 3.67Å; D157-R247 IonicContact OD2-NE 3.75Å; D157-R247 IonicContact OD2-NH2 3.84Å; D157-R247 PolarHBondContact OD2-NH2 3.26Å; E187-R247 IonicContact OE2-CZ 3.96Å; E187-R247 VanDerWaalsContact OE2-CZ 3.27Å; E187-R247 IonicContact OE2-NH1 2.68Å; E187-R247 PolarHBondContact OE2-NH1 2.71Å; E187-R247 IonicContact OE2-NH2 3.55Å; E187-R247 PolarHBondContact OE2-NH2 3.18Å; N243-R247 VanDerWaalsContact O-CG 3.22Å; N243-R247 WeakPolarHBondContact O-CG 3.32Å; N243-R247 PolarHBondContact O-N 2.91Å; K244-R247 PolarHBondContact O-N 2.77Å; S245-R247 VanDerWaalsContact C-N 3.34Å; S245-R247 PolarHBondContact O-N 3.08Å; R247-S251 WeakPolarHBondContact O-CB 3.24Å; R247-S251 PolarHBondContact O-N 2.86Å
248	V	84.3	Confident	85.2	Confident	92 Å²	92	72.6 Å²	72.6	56%	0.558	39%	0.393	S	S	*	.	H	α-helix	trans	-66.6	-46.4	176.4	174.6	0	0	0	0	110.3	K244 S245 R246 S251 T252	K244-V248 WeakPolarHBondContact O-CG2 3.38Å; K244-V248 PolarHBondContact O-N 2.79Å; S245-V248 WeakPolarHBondContact O-CB 3.2Å; S245-V248 PolarHBondContact O-N 2.83Å; S245-V248 VanDerWaalsContact O-N 3.1Å; R246-V248 VanDerWaalsContact C-N 3.3Å; R246-V248 PolarHBondContact O-N 2.84Å; V248-S251 WeakPolarHBondContact O-CB 3.39Å; V248-S251 PolarHBondContact O-N 3.1Å; V248-T252 WeakPolarHBondContact O-CG2 3.45Å; V248-T252 PolarHBondContact O-N 2.79Å; V248-T252 VanDerWaalsContact O-N 3.14Å
249	E	83.6	Confident	84.8	Confident	126 Å²	126	70.6 Å²	70.6	59%	0.589	40%	0.396	S	S	*	.	H	α-helix	trans	-59.1	-49.8	178.2	-70.1	172.1	-170.1	0	0	112	S245 R246 S251 T252 A253	S245-E249 PolarHBondContact O-N 2.78Å; R246-E249 PolarHBondContact O-N 2.81Å; E249-S251 VanDerWaalsContact C-N 3.29Å; E249-S251 PolarHBondContact O-N 3.18Å; E249-T252 PolarHBondContact O-N 3.29Å; E249-T252 PolarHBondContact O-OG1 3.07Å; E249-A253 PolarHBondContact O-N 2.73Å
250	L	79.6	Confident	84.6	Confident	57 Å²	57	68.2 Å²	68.2	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-58.5	-40.6	177.9	-73.8	171.9	0	0	0	112.5	R246 T252 A253 D349	R246-L250 HydrophobicContact CG-CD1 4.13Å; R246-L250 WeakPolarHBondContact O-CG 3.45Å; R246-L250 PolarHBondContact O-N 3.23Å; L250-T252 VanDerWaalsContact C-N 3.27Å; L250-T252 PolarHBondContact O-N 3.41Å; L250-A253 PolarHBondContact O-N 3.22Å; L250-D349 VanDerWaalsContact CD1-OD2 3.26Å; L250-D349 WeakPolarHBondContact CD1-OD2 3.47Å
251	S	77.1	Confident	84.5	Confident	64 Å²	64	71.3 Å²	71.3	45%	0.448	41%	0.406	S	S	.	.	H	α-helix	trans	-62.9	-32.7	175.2	-178.8	0	0	0	0	112.8	R247 V248 E249 K257	R247-S251 WeakPolarHBondContact O-CB 3.24Å; R247-S251 PolarHBondContact O-N 2.86Å; V248-S251 WeakPolarHBondContact O-CB 3.39Å; V248-S251 PolarHBondContact O-N 3.1Å; E249-S251 VanDerWaalsContact C-N 3.29Å; E249-S251 PolarHBondContact O-N 3.18Å; S251-K257 PolarHBondContact O-NZ 3.47Å
252	T	76.9	Confident	84.4	Confident	85 Å²	85	72.6 Å²	72.6	52%	0.521	42%	0.415	S	S	.	.	H	α-helix	trans	-78.6	-27.9	178.1	59.6	0	0	0	0	113.6	V248 E249 L250 S254	V248-T252 WeakPolarHBondContact O-CG2 3.45Å; V248-T252 PolarHBondContact O-N 2.79Å; V248-T252 VanDerWaalsContact O-N 3.14Å; E249-T252 PolarHBondContact O-N 3.29Å; E249-T252 PolarHBondContact O-OG1 3.07Å; L250-T252 VanDerWaalsContact C-N 3.27Å; L250-T252 PolarHBondContact O-N 3.41Å; T252-S254 VanDerWaalsContact C-N 3.34Å; T252-S254 PolarHBondContact O-N 3.39Å
253	A	76.2	Confident	84.4	Confident	51 Å²	51	75.8 Å²	75.8	42%	0.421	42%	0.42	S	S	.	.	S	Bend	trans	-84.2	1.5	-176.2	0	0	0	0	0	115.3	E249 L250 R427	E249-A253 PolarHBondContact O-N 2.73Å; L250-A253 PolarHBondContact O-N 3.22Å; A253-R427 PolarHBondContact O-NH1 3.18Å; A253-R427 VanDerWaalsContact O-NH1 3.11Å
254	S	78.3	Confident	84.5	Confident	37 Å²	37	75.1 Å²	75.1	26%	0.259	42%	0.415	S	S	.	.			trans	-57.9	135.8	-177.1	-179.6	0	0	0	0	112.9	T252 L256 K257 V258	T252-S254 VanDerWaalsContact C-N 3.34Å; T252-S254 PolarHBondContact O-N 3.39Å; S254-L256 PolarHBondContact O-N 3.09Å; S254-L256 VanDerWaalsContact O-N 3.1Å; S254-L256 PolarHBondContact OG-N 2.86Å; S254-K257 PolarHBondContact O-N 2.67Å; S254-V258 PolarHBondContact O-N 3.27Å
255	L	78.9	Confident	84.7	Confident	27 Å²	27	78 Å²	78	14%	0.141	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.9	174.4	-75.3	175	0	0	0	113.9	K257 V258 P260 L423 D424 R427	L255-K257 PolarHBondContact O-N 3.33Å; L255-V258 WeakPolarHBondContact CA-O 3.19Å; L255-P260 HydrophobicContact CD2-CB 4.35Å; L255-P260 HydrophobicContact CD2-CG 4Å; L255-L423 HydrophobicContact CD1-CB 3.84Å; L255-D424 HydrophobicContact CD1-CB 4.12Å; L255-R427 VanDerWaalsContact CD2-NH2 3.35Å
256	L	76.8	Confident	84.9	Confident	157 Å²	157	81.7 Å²	81.7	82%	0.822	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.9	170.1	-64.4	175.8	0	0	0	112.7	S254	S254-L256 PolarHBondContact O-N 3.09Å; S254-L256 VanDerWaalsContact O-N 3.1Å; S254-L256 PolarHBondContact OG-N 2.86Å
257	K	78.3	Confident	85.2	Confident	139 Å²	139	80.2 Å²	80.2	60%	0.604	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-33.1	-178.2	-62.2	177.7	-175.7	169.3	0	112.5	S251 S254 L255	S251-K257 PolarHBondContact O-NZ 3.47Å; S254-K257 PolarHBondContact O-N 2.67Å; L255-K257 PolarHBondContact O-N 3.33Å
258	V	85.1	Confident	85.6	Confident	78 Å²	78	79.9 Å²	79.9	47%	0.473	43%	0.43	S	S	.	.	S	Bend	trans	-124.7	139.2	-172.3	-172.5	0	0	0	0	110.2	S254 L255	S254-V258 PolarHBondContact O-N 3.27Å; L255-V258 WeakPolarHBondContact CA-O 3.19Å
259	A	85.9	Confident	86	Confident	78 Å²	78	80.3 Å²	80.3	65%	0.645	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-66.9	153.3	176.6	0	0	0	0	0	112.1
260	P	88.9	Confident	86.4	Confident	15 Å²	15	77.5 Å²	77.5	10%	0.097	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-60	151.2	173.7	-21.7	31.5	0	0	0	113.4	L255 E264 R265 M420 L423	L255-P260 HydrophobicContact CD2-CB 4.35Å; L255-P260 HydrophobicContact CD2-CG 4Å; P260-E264 HydrophobicContact CB-CB 3.98Å; P260-R265 HydrophobicContact CB-CG 4.16Å; P260-M420 HydrophobicContact CG-CE 3.87Å; P260-M420 HydrophobicContact CG-SD 3.6Å; P260-M420 VanDerWaalsContact CG-SD 3.6Å; P260-L423 HydrophobicContact CB-CD1 3.78Å; P260-L423 HydrophobicContact CG-CD1 3.85Å
261	T	91.6	Very high	87	Confident	65 Å²	65	76.3 Å²	76.3	40%	0.399	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-66.2	169.6	175.2	60.1	0	0	0	0	112.2	E263 E264 R265	T261-E263 VanDerWaalsContact C-N 3.3Å; T261-E263 PolarHBondContact O-N 3.23Å; T261-E264 PolarHBondContact N-OE2 2.83Å; T261-E264 PolarHBondContact O-N 3.21Å; T261-E264 WeakPolarHBondContact OG1-CB 3.35Å; T261-E264 VanDerWaalsContact OG1-CD 3.23Å; T261-E264 WeakPolarHBondContact OG1-CG 3.13Å; T261-E264 PolarHBondContact OG1-N 3.44Å; T261-E264 PolarHBondContact OG1-OE2 3.01Å; T261-R265 WeakPolarHBondContact O-CG 3.14Å; T261-R265 PolarHBondContact O-N 3.34Å; T261-R265 PolarHBondContact O-NE 2.89Å
262	N	91.8	Very high	87.8	Confident	105 Å²	105	76.1 Å²	76.1	56%	0.561	40%	0.4	S	S	*	.	H	α-helix	trans	-65.6	-38.5	-179.9	-162.5	37.3	0	0	0	111.9	R265 K266	N262-R265 PolarHBondContact O-N 3.09Å; N262-R265 PolarHBondContact OD1-NH2 3.3Å; N262-K266 PolarHBondContact O-N 2.83Å
263	E	93.1	Very high	88.4	Confident	128 Å²	128	75.6 Å²	75.6	60%	0.598	39%	0.394	S	S	*	.	H	α-helix	trans	-63.6	-45.3	177.1	-63.1	68.7	-149	0	0	110.7	T261 K266 I267	T261-E263 VanDerWaalsContact C-N 3.3Å; T261-E263 PolarHBondContact O-N 3.23Å; E263-K266 WeakPolarHBondContact O-CB 3.37Å; E263-K266 PolarHBondContact O-N 2.54Å; E263-I267 WeakPolarHBondContact O-CG1 3.31Å; E263-I267 PolarHBondContact O-N 2.87Å; E263-I267 VanDerWaalsContact O-N 3.09Å
264	E	93.4	Very high	89.1	Confident	23 Å²	23	78.8 Å²	78.8	11%	0.107	40%	0.404	C	S	.	.	H	α-helix	trans	-65.5	-39.9	176.7	-73.2	171.5	139.7	0	0	112.8	P260 T261 K266 I267 I268 L423 R427	P260-E264 HydrophobicContact CB-CB 3.98Å; T261-E264 PolarHBondContact N-OE2 2.83Å; T261-E264 PolarHBondContact O-N 3.21Å; T261-E264 WeakPolarHBondContact OG1-CB 3.35Å; T261-E264 VanDerWaalsContact OG1-CD 3.23Å; T261-E264 WeakPolarHBondContact OG1-CG 3.13Å; T261-E264 PolarHBondContact OG1-N 3.44Å; T261-E264 PolarHBondContact OG1-OE2 3.01Å; E264-K266 VanDerWaalsContact C-N 3.29Å; E264-K266 PolarHBondContact O-N 2.76Å; E264-I267 WeakPolarHBondContact O-CB 3.4Å; E264-I267 PolarHBondContact O-N 3.41Å; E264-I268 PolarHBondContact O-N 2.87Å; E264-I268 VanDerWaalsContact O-N 3.14Å; E264-L423 HydrophobicContact CB-CD1 3.86Å; E264-L423 HydrophobicContact CB-CD2 3.79Å; E264-L423 HydrophobicContact CB-CG 4.42Å; E264-L423 HydrophobicContact CG-CD2 4.02Å; E264-R427 VanDerWaalsContact CD-NH2 3.32Å; E264-R427 IonicContact OE1-CZ 3.45Å; E264-R427 VanDerWaalsContact OE1-CZ 3.3Å; E264-R427 IonicContact OE1-NE 3.26Å; E264-R427 PolarHBondContact OE1-NE 2.75Å; E264-R427 IonicContact OE1-NH2 2.67Å; E264-R427 PolarHBondContact OE1-NH2 3.12Å; E264-R427 IonicContact OE2-CZ 3.27Å; E264-R427 IonicContact OE2-NE 3.53Å; E264-R427 IonicContact OE2-NH2 2.71Å; E264-R427 PolarHBondContact OE2-NH2 2.86Å
265	R	92.9	Very high	89.7	Confident	144 Å²	144	77.1 Å²	77.1	54%	0.543	39%	0.392	S	S	.	.	H	α-helix	trans	-61.8	-39.4	174.2	-73.8	-177.5	-64.8	176.4	4.8	111.6	P260 T261 N262 I268 H269	P260-R265 HydrophobicContact CB-CG 4.16Å; T261-R265 WeakPolarHBondContact O-CG 3.14Å; T261-R265 PolarHBondContact O-N 3.34Å; T261-R265 PolarHBondContact O-NE 2.89Å; N262-R265 PolarHBondContact O-N 3.09Å; N262-R265 PolarHBondContact OD1-NH2 3.3Å; R265-I268 PolarHBondContact O-N 3.15Å; R265-H269 WeakPolarHBondContact O-CB 3.27Å; R265-H269 PolarHBondContact O-N 3.01Å
266	K	94.7	Very high	90.2	Very high	137 Å²	137	78 Å²	78	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-62.3	-43.6	175.7	-168.3	179.7	178.9	-177.9	0	111.5	N262 E263 E264 I268 H269 D270	N262-K266 PolarHBondContact O-N 2.83Å; E263-K266 WeakPolarHBondContact O-CB 3.37Å; E263-K266 PolarHBondContact O-N 2.54Å; E264-K266 VanDerWaalsContact C-N 3.29Å; E264-K266 PolarHBondContact O-N 2.76Å; K266-I268 VanDerWaalsContact C-N 3.32Å; K266-I268 PolarHBondContact O-N 3Å; K266-H269 WeakPolarHBondContact O-CB 3.39Å; K266-H269 PolarHBondContact O-N 3.35Å; K266-H269 VanDerWaalsContact O-N 3.14Å; K266-D270 PolarHBondContact O-N 3.27Å
267	I	94.8	Very high	90.6	Very high	44 Å²	44	71.5 Å²	71.5	23%	0.226	36%	0.363	C	S	.	.	H	α-helix	trans	-56	-46.8	175.5	-69.1	157.2	0	0	0	111.5	E263 E264 H269 D270 L271 Y422	E263-I267 WeakPolarHBondContact O-CG1 3.31Å; E263-I267 PolarHBondContact O-N 2.87Å; E263-I267 VanDerWaalsContact O-N 3.09Å; E264-I267 WeakPolarHBondContact O-CB 3.4Å; E264-I267 PolarHBondContact O-N 3.41Å; I267-H269 VanDerWaalsContact C-N 3.35Å; I267-D270 PolarHBondContact O-N 2.94Å; I267-L271 HydrophobicContact CG2-CD1 4.04Å; I267-L271 WeakPolarHBondContact O-CB 3.47Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 3.28Å; I267-Y422 HydrophobicContact CG2-CE1 4.17Å
268	I	94.4	Very high	90.9	Very high	25 Å²	25	69.6 Å²	69.6	13%	0.128	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-39	178.7	-64.5	-51.8	0	0	0	111.7	E264 R265 K266 L271 F272 S419 Y422 L423	E264-I268 PolarHBondContact O-N 2.87Å; E264-I268 VanDerWaalsContact O-N 3.14Å; R265-I268 PolarHBondContact O-N 3.15Å; K266-I268 VanDerWaalsContact C-N 3.32Å; K266-I268 PolarHBondContact O-N 3Å; I268-L271 HydrophobicContact CD1-CD1 4.11Å; I268-L271 PolarHBondContact O-N 3Å; I268-F272 WeakPolarHBondContact O-CB 3.33Å; I268-F272 PolarHBondContact O-N 3.27Å; I268-S419 WeakPolarHBondContact CG2-OG 3.46Å; I268-Y422 HydrophobicContact CD1-CD1 4.1Å; I268-L423 HydrophobicContact CD1-CD1 4.38Å; I268-L423 HydrophobicContact CD1-CD2 3.95Å; I268-L423 HydrophobicContact CD1-CG 3.88Å; I268-L423 HydrophobicContact CG1-CD1 3.84Å; I268-L423 HydrophobicContact CG1-CD2 3.96Å; I268-L423 HydrophobicContact CG1-CG 3.87Å
269	H	93.1	Very high	90.7	Very high	102 Å²	102	72.7 Å²	72.7	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-62.7	-45.6	176	-173.6	66.1	0	0	0	111.7	R265 K266 I267 L271 F272 L273	R265-H269 WeakPolarHBondContact O-CB 3.27Å; R265-H269 PolarHBondContact O-N 3.01Å; K266-H269 WeakPolarHBondContact O-CB 3.39Å; K266-H269 PolarHBondContact O-N 3.35Å; K266-H269 VanDerWaalsContact O-N 3.14Å; I267-H269 VanDerWaalsContact C-N 3.35Å; H269-L271 PolarHBondContact O-N 3.19Å; H269-F272 WeakPolarHBondContact O-CB 3.33Å; H269-F272 PolarHBondContact O-N 2.75Å; H269-L273 WeakPolarHBondContact NE2-CD1 3.42Å; H269-L273 WeakPolarHBondContact O-CG 3.44Å; H269-L273 PolarHBondContact O-N 3.22Å
270	D	93.2	Very high	90.3	Very high	67 Å²	67	71.7 Å²	71.7	36%	0.358	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-42.5	178.5	-65.1	-18	0	0	0	111.1	K266 I267 F272 L273 N274	K266-D270 PolarHBondContact O-N 3.27Å; I267-D270 PolarHBondContact O-N 2.94Å; D270-F272 VanDerWaalsContact C-N 3.31Å; D270-F272 PolarHBondContact O-N 2.66Å; D270-L273 PolarHBondContact O-N 3.02Å; D270-N274 WeakPolarHBondContact O-CB 3.34Å; D270-N274 PolarHBondContact O-N 3.43Å; D270-N274 PolarHBondContact O-ND2 3.44Å
271	L	92.6	Very high	89.6	Confident	31 Å²	31	78.5 Å²	78.5	16%	0.162	41%	0.414	C	S	.	.	H	α-helix	trans	-58.7	-42.7	172.7	-80.1	164.3	0	0	0	112	I267 I268 H269 T275 P413 Y422	I267-L271 HydrophobicContact CG2-CD1 4.04Å; I267-L271 WeakPolarHBondContact O-CB 3.47Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 3.28Å; I268-L271 HydrophobicContact CD1-CD1 4.11Å; I268-L271 PolarHBondContact O-N 3Å; H269-L271 PolarHBondContact O-N 3.19Å; L271-T275 WeakPolarHBondContact O-CG2 3.41Å; L271-T275 PolarHBondContact O-N 2.93Å; L271-P413 HydrophobicContact CD1-CG 4.42Å; L271-Y422 HydrophobicContact CD1-CD1 3.9Å; L271-Y422 HydrophobicContact CD1-CE1 3.54Å; L271-Y422 HydrophobicContact CD1-CE2 4.32Å; L271-Y422 HydrophobicContact CD1-CG 4.44Å
272	F	92.2	Very high	89.2	Confident	61 Å²	61	77.9 Å²	77.9	27%	0.268	41%	0.412	S	S	.	.	H	α-helix	trans	-63.6	-49.5	177.1	173.1	-99.9	0	0	0	111.5	I268 H269 D270 N274 T275 L276 F283	I268-F272 WeakPolarHBondContact O-CB 3.33Å; I268-F272 PolarHBondContact O-N 3.27Å; H269-F272 WeakPolarHBondContact O-CB 3.33Å; H269-F272 PolarHBondContact O-N 2.75Å; D270-F272 VanDerWaalsContact C-N 3.31Å; D270-F272 PolarHBondContact O-N 2.66Å; F272-N274 VanDerWaalsContact C-N 3.32Å; F272-N274 PolarHBondContact O-N 3.09Å; F272-T275 PolarHBondContact O-N 3.46Å; F272-T275 PolarHBondContact O-OG1 3.34Å; F272-L276 HydrophobicContact CE1-CD1 4.11Å; F272-L276 HydrophobicContact CE1-CD2 4.15Å; F272-L276 HydrophobicContact CE1-CG 4.36Å; F272-L276 HydrophobicContact CE2-CD2 4.39Å; F272-L276 HydrophobicContact CZ-CD2 3.88Å; F272-F283 HydrophobicContact CE1-CD1 4.1Å; F272-F283 HydrophobicContact CZ-CB 4.22Å; F272-F283 HydrophobicContact CZ-CD1 4.23Å
273	L	90.9	Very high	88.7	Confident	74 Å²	74	80.3 Å²	80.3	39%	0.387	42%	0.418	S	S	.	.	H	α-helix	trans	-59.8	-41.3	178.9	-70	-178.6	0	0	0	112.3	H269 D270 T275 L276	H269-L273 WeakPolarHBondContact NE2-CD1 3.42Å; H269-L273 WeakPolarHBondContact O-CG 3.44Å; H269-L273 PolarHBondContact O-N 3.22Å; D270-L273 PolarHBondContact O-N 3.02Å; L273-T275 PolarHBondContact O-N 2.88Å; L273-T275 VanDerWaalsContact O-N 3.12Å; L273-L276 HydrophobicContact CD2-CD1 3.83Å; L273-L276 WeakPolarHBondContact O-CB 2.87Å; L273-L276 PolarHBondContact O-N 2.89Å
274	N	89.9	Confident	88.2	Confident	118 Å²	118	85.2 Å²	85.2	63%	0.631	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.6	178.5	-72.4	-24.3	0	0	0	113.9	D270 F272	D270-N274 WeakPolarHBondContact O-CB 3.34Å; D270-N274 PolarHBondContact O-N 3.43Å; D270-N274 PolarHBondContact O-ND2 3.44Å; F272-N274 VanDerWaalsContact C-N 3.32Å; F272-N274 PolarHBondContact O-N 3.09Å
275	T	91.2	Very high	87.9	Confident	2 Å²	2	86 Å²	86	1%	0.012	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-4.2	174.8	59.9	0	0	0	0	113.6	L271 F272 L273 R286 I287 W294 V412	L271-T275 WeakPolarHBondContact O-CG2 3.41Å; L271-T275 PolarHBondContact O-N 2.93Å; F272-T275 PolarHBondContact O-N 3.46Å; F272-T275 PolarHBondContact O-OG1 3.34Å; L273-T275 PolarHBondContact O-N 2.88Å; L273-T275 VanDerWaalsContact O-N 3.12Å; T275-R286 CarbonylContact O-C 3.39Å; T275-R286 WeakPolarHBondContact O-CA 3.3Å; T275-R286 WeakPolarHBondContact O-CB 3.32Å; T275-R286 VanDerWaalsContact OG1-CZ 3.24Å; T275-R286 PolarHBondContact OG1-NE 3.03Å; T275-R286 PolarHBondContact OG1-NH2 3.47Å; T275-I287 WeakPolarHBondContact CA-O 3.44Å; T275-I287 PolarHBondContact O-N 2.99Å; T275-W294 HydrophobicContact CG2-CH2 3.95Å; T275-W294 HydrophobicContact CG2-CZ3 4.13Å; T275-V412 HydrophobicContact CG2-CG1 3.51Å
276	L	89.6	Confident	87.7	Confident	44 Å²	44	81.6 Å²	81.6	23%	0.23	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-72.9	137.5	179.8	-67.5	176.8	0	0	0	110.9	F272 L273 A278 F283 R286	F272-L276 HydrophobicContact CE1-CD1 4.11Å; F272-L276 HydrophobicContact CE1-CD2 4.15Å; F272-L276 HydrophobicContact CE1-CG 4.36Å; F272-L276 HydrophobicContact CE2-CD2 4.39Å; F272-L276 HydrophobicContact CZ-CD2 3.88Å; L273-L276 HydrophobicContact CD2-CD1 3.83Å; L273-L276 WeakPolarHBondContact O-CB 2.87Å; L273-L276 PolarHBondContact O-N 2.89Å; L276-A278 PolarHBondContact O-N 3.37Å; L276-F283 HydrophobicContact CD1-CD1 4.01Å; L276-F283 HydrophobicContact CD1-CE1 4.26Å; L276-F283 HydrophobicContact CD2-CD1 4.37Å; L276-R286 HydrophobicContact CD2-CG 4.37Å
277	D	85.9	Confident	87.5	Confident	22 Å²	22	79.4 Å²	79.4	12%	0.118	42%	0.416	C	S	.	.			trans	-72.3	114.9	171.6	176.6	15.9	0	0	0	110.1	N279 T280 S285 I287	D277-N279 PolarHBondContact O-N 2.82Å; D277-N279 VanDerWaalsContact O-N 3.13Å; D277-N279 WeakPolarHBondContact OD1-CB 3.45Å; D277-N279 PolarHBondContact OD1-N 2.77Å; D277-N279 PolarHBondContact OD1-ND2 2.98Å; D277-T280 WeakPolarHBondContact CB-OG1 3.44Å; D277-T280 VanDerWaalsContact CG-OG1 3.27Å; D277-T280 CarbonylContact O-C 3.6Å; D277-T280 PolarHBondContact O-N 2.95Å; D277-T280 WeakPolarHBondContact OD2-CG2 3.41Å; D277-T280 PolarHBondContact OD2-OG1 2.97Å; D277-S285 WeakPolarHBondContact CB-OG 3.49Å; D277-S285 PolarHBondContact N-O 2.81Å; D277-S285 VanDerWaalsContact N-O 3.1Å; D277-S285 PolarHBondContact OD2-OG 2.76Å; D277-I287 HydrophobicContact CB-CD1 3.57Å; D277-I287 HydrophobicContact CB-CG1 3.98Å; D277-I287 VanDerWaalsContact CG-CD1 3.47Å
278	A	83.1	Confident	87.4	Confident	98 Å²	98	79.8 Å²	79.8	81%	0.81	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.8	179.1	0	0	0	0	0	113.3	L276	L276-A278 PolarHBondContact O-N 3.37Å
279	N	82.6	Confident	87.3	Confident	143 Å²	143	80.5 Å²	80.5	77%	0.765	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-22.9	-177.8	-55.1	-64.5	0	0	0	113.1	D277	D277-N279 PolarHBondContact O-N 2.82Å; D277-N279 VanDerWaalsContact O-N 3.13Å; D277-N279 WeakPolarHBondContact OD1-CB 3.45Å; D277-N279 PolarHBondContact OD1-N 2.77Å; D277-N279 PolarHBondContact OD1-ND2 2.98Å
280	T	76.9	Confident	87.3	Confident	57 Å²	57	81.7 Å²	81.7	35%	0.35	44%	0.441	S	S	.	.	S	Bend	trans	-120.1	101.4	-177.8	52.1	0	0	0	0	107	D277 S282 S285	D277-T280 WeakPolarHBondContact CB-OG1 3.44Å; D277-T280 VanDerWaalsContact CG-OG1 3.27Å; D277-T280 CarbonylContact O-C 3.6Å; D277-T280 PolarHBondContact O-N 2.95Å; D277-T280 WeakPolarHBondContact OD2-CG2 3.41Å; D277-T280 PolarHBondContact OD2-OG1 2.97Å; T280-S282 PolarHBondContact O-N 2.89Å; T280-S285 WeakPolarHBondContact OG1-CB 3.3Å; T280-S285 PolarHBondContact OG1-OG 2.88Å
281	V	73.6	Confident	87.3	Confident	159 Å²	159	83.7 Å²	83.7	96%	0.964	45%	0.452	S	S	*	.			trans	-65.7	64.7	-178.9	-169	0	0	0	0	110.5
282	S	83.8	Confident	87.5	Confident	52 Å²	52	83.2 Å²	83.2	36%	0.364	45%	0.451	S	S	.	.			trans	-147.7	127.7	-166.3	173.8	0	0	0	0	109.5	T280 R284 S285	T280-S282 PolarHBondContact O-N 2.89Å; S282-R284 PolarHBondContact O-N 2.83Å; S282-R284 VanDerWaalsContact O-N 3.11Å; S282-R284 PolarHBondContact OG-N 2.86Å; S282-S285 PolarHBondContact O-N 2.82Å
283	F	81.1	Confident	87.7	Confident	156 Å²	156	82.4 Å²	82.4	68%	0.684	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.5	176.6	-60.7	-60.1	0	0	0	114.3	F272 L276	F272-F283 HydrophobicContact CE1-CD1 4.1Å; F272-F283 HydrophobicContact CZ-CB 4.22Å; F272-F283 HydrophobicContact CZ-CD1 4.23Å; L276-F283 HydrophobicContact CD1-CD1 4.01Å; L276-F283 HydrophobicContact CD1-CE1 4.26Å; L276-F283 HydrophobicContact CD2-CD1 4.37Å
284	R	81.6	Confident	88	Confident	231 Å²	231	80.2 Å²	80.2	87%	0.872	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-30.5	179.2	-64.1	-175.2	179.9	-171.6	0.1	113	S282 R286	S282-R284 PolarHBondContact O-N 2.83Å; S282-R284 VanDerWaalsContact O-N 3.11Å; S282-R284 PolarHBondContact OG-N 2.86Å; R284-R286 PolarHBondContact O-N 3.1Å
285	S	87.9	Confident	88.3	Confident	38 Å²	38	74.6 Å²	74.6	27%	0.266	41%	0.408	S	S	.	.			trans	-80.6	109.2	-178.3	-166.9	0	0	0	0	108.6	D277 T280 S282	D277-S285 WeakPolarHBondContact CB-OG 3.49Å; D277-S285 PolarHBondContact N-O 2.81Å; D277-S285 VanDerWaalsContact N-O 3.1Å; D277-S285 PolarHBondContact OD2-OG 2.76Å; T280-S285 WeakPolarHBondContact OG1-CB 3.3Å; T280-S285 PolarHBondContact OG1-OG 2.88Å; S282-S285 PolarHBondContact O-N 2.82Å
286	R	89.2	Confident	88.5	Confident	52 Å²	52	77.2 Å²	77.2	20%	0.196	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-123.1	131.8	-178.3	-65.3	179.2	68.8	-169.5	-1.5	111.2	T275 L276 R284 W294 P413 R414	T275-R286 CarbonylContact O-C 3.39Å; T275-R286 WeakPolarHBondContact O-CA 3.3Å; T275-R286 WeakPolarHBondContact O-CB 3.32Å; T275-R286 VanDerWaalsContact OG1-CZ 3.24Å; T275-R286 PolarHBondContact OG1-NE 3.03Å; T275-R286 PolarHBondContact OG1-NH2 3.47Å; L276-R286 HydrophobicContact CD2-CG 4.37Å; R284-R286 PolarHBondContact O-N 3.1Å; R286-W294 HydrophobicContact CB-CH2 4.09Å; R286-W294 HydrophobicContact CB-CZ2 4.37Å; R286-P413 PolarHBondContact NH2-O 2.79Å; R286-R414 PolarHBondContact NH1-O 2.88Å
287	I	90.9	Very high	88.9	Confident	92 Å²	92	80.3 Å²	80.3	47%	0.472	44%	0.436	S	S	.	.			trans	-120.1	141.6	178.5	-56.8	172.7	0	0	0	107.9	T275 D277	T275-I287 WeakPolarHBondContact CA-O 3.44Å; T275-I287 PolarHBondContact O-N 2.99Å; D277-I287 HydrophobicContact CB-CD1 3.57Å; D277-I287 HydrophobicContact CB-CG1 3.98Å; D277-I287 VanDerWaalsContact CG-CD1 3.47Å
288	L	92.5	Very high	89.4	Confident	52 Å²	52	79.5 Å²	79.5	27%	0.272	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-69.7	134.9	174.1	-80.7	168.6	0	0	0	110.3	W294 V412	L288-W294 HydrophobicContact CD1-CD2 4.22Å; L288-W294 HydrophobicContact CD1-CG 3.96Å; L288-W294 HydrophobicContact CD2-CD2 3.47Å; L288-W294 VanDerWaalsContact CD2-CD2 3.47Å; L288-W294 HydrophobicContact CD2-CE3 3.73Å; L288-W294 HydrophobicContact CD2-CG 3.93Å; L288-W294 HydrophobicContact CD2-CH2 4.05Å; L288-W294 HydrophobicContact CD2-CZ2 3.85Å; L288-W294 HydrophobicContact CD2-CZ3 4.01Å; L288-W294 HydrophobicContact CG-CD2 3.83Å; L288-W294 HydrophobicContact CG-CE3 4.5Å; L288-W294 HydrophobicContact CG-CG 4.12Å; L288-W294 HydrophobicContact CG-CH2 4.37Å; L288-W294 HydrophobicContact CG-CZ2 3.7Å; L288-V412 HydrophobicContact CD2-CB 4.06Å; L288-V412 HydrophobicContact CD2-CG2 4.19Å
289	P	91.9	Very high	90	Very high	39 Å²	39	79.7 Å²	79.7	25%	0.253	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-58.8	159.4	165.6	-21.5	32.5	0	0	0	111.3	S292	P289-S292 VanDerWaalsContact O-CB 3.24Å; P289-S292 WeakPolarHBondContact O-CB 3.48Å; P289-S292 PolarHBondContact O-N 2.91Å; P289-S292 PolarHBondContact O-OG 3.05Å
290	P	92.4	Very high	90.7	Very high	127 Å²	127	75.5 Å²	75.5	83%	0.825	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	143.4	174.8	-24.9	34.3	0	0	0	112	S292	P290-S292 VanDerWaalsContact C-N 3.29Å; P290-S292 PolarHBondContact O-N 2.9Å; P290-S292 PolarHBondContact O-OG 2.96Å
291	N	93.7	Very high	91.7	Very high	110 Å²	110	80.2 Å²	80.2	59%	0.588	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	42.2	-179.5	-167.8	44.4	0	0	0	113.7	P409 S410	N291-P409 CarbonylContact O-C 3.55Å; N291-P409 WeakPolarHBondContact O-CA 3.42Å; N291-P409 WeakPolarHBondContact O-CB 3.44Å; N291-S410 PolarHBondContact O-N 3.43Å
292	S	95.7	Very high	92.7	Very high	21 Å²	21	73.9 Å²	73.9	15%	0.147	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.2	179	-57.9	0	0	0	0	111.6	P289 P290 S410	P289-S292 VanDerWaalsContact O-CB 3.24Å; P289-S292 WeakPolarHBondContact O-CB 3.48Å; P289-S292 PolarHBondContact O-N 2.91Å; P289-S292 PolarHBondContact O-OG 3.05Å; P290-S292 VanDerWaalsContact C-N 3.29Å; P290-S292 PolarHBondContact O-N 2.9Å; P290-S292 PolarHBondContact O-OG 2.96Å; S292-S410 CarbonylContact C-O 3.56Å; S292-S410 WeakPolarHBondContact CA-O 3.41Å; S292-S410 WeakPolarHBondContact CB-O 3.2Å
293	V	96.8	Very high	93.2	Very high	44 Å²	44	76.3 Å²	76.3	27%	0.267	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.7	179.9	178.9	0	0	0	0	108.6	D297 F337 P409 S410 V411 V412	V293-D297 HydrophobicContact CG1-CB 4.25Å; V293-F337 HydrophobicContact CB-CE2 3.93Å; V293-F337 HydrophobicContact CB-CZ 4.5Å; V293-F337 HydrophobicContact CG1-CE2 4.17Å; V293-F337 HydrophobicContact CG2-CE2 4.31Å; V293-P409 HydrophobicContact CG2-CB 3.86Å; V293-P409 HydrophobicContact CG2-CG 4.38Å; V293-S410 PolarHBondContact N-O 3.46Å; V293-V411 WeakPolarHBondContact O-CA 3.24Å; V293-V412 PolarHBondContact O-N 2.96Å
294	W	97.3	Very high	93.8	Very high	28 Å²	28	71.5 Å²	71.5	11%	0.106	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.4	174	-68.6	121.4	0	0	0	110.7	T275 R286 L288 E296 D297 A298 V412 R414	T275-W294 HydrophobicContact CG2-CH2 3.95Å; T275-W294 HydrophobicContact CG2-CZ3 4.13Å; R286-W294 HydrophobicContact CB-CH2 4.09Å; R286-W294 HydrophobicContact CB-CZ2 4.37Å; L288-W294 HydrophobicContact CD1-CD2 4.22Å; L288-W294 HydrophobicContact CD1-CG 3.96Å; L288-W294 HydrophobicContact CD2-CD2 3.47Å; L288-W294 VanDerWaalsContact CD2-CD2 3.47Å; L288-W294 HydrophobicContact CD2-CE3 3.73Å; L288-W294 HydrophobicContact CD2-CG 3.93Å; L288-W294 HydrophobicContact CD2-CH2 4.05Å; L288-W294 HydrophobicContact CD2-CZ2 3.85Å; L288-W294 HydrophobicContact CD2-CZ3 4.01Å; L288-W294 HydrophobicContact CG-CD2 3.83Å; L288-W294 HydrophobicContact CG-CE3 4.5Å; L288-W294 HydrophobicContact CG-CG 4.12Å; L288-W294 HydrophobicContact CG-CH2 4.37Å; L288-W294 HydrophobicContact CG-CZ2 3.7Å; W294-E296 HydrophobicContact CB-CG 4.03Å; W294-E296 PolarHBondContact O-N 2.92Å; W294-D297 PolarHBondContact O-N 3.48Å; W294-A298 PolarHBondContact O-N 2.74Å; W294-V412 HydrophobicContact CE3-CB 4.18Å; W294-V412 HydrophobicContact CE3-CG1 4.1Å; W294-V412 HydrophobicContact CZ3-CB 4.22Å; W294-V412 HydrophobicContact CZ3-CG1 3.65Å; W294-R414 HydrophobicContact CE3-CB 4.11Å; W294-R414 HydrophobicContact CE3-CG 4.48Å; W294-R414 HydrophobicContact CZ3-CB 4.41Å
295	M	97.3	Very high	94.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-56.4	-41.8	178.2	-172.5	172.4	-65.9	0	0	111.4	D297 A298 Q367 C369 V411 V412 P413 E418 L421 Y422	M295-D297 PolarHBondContact O-N 3.44Å; M295-D297 VanDerWaalsContact O-N 3.07Å; M295-A298 PolarHBondContact O-N 2.74Å; M295-Q367 HydrophobicContact CG-CG 4.21Å; M295-Q367 PolarHBondContact O-NE2 3.31Å; M295-Q367 HydrophobicContact SD-CG 4.45Å; M295-C369 VanDerWaalsContact CE-O 3.23Å; M295-C369 WeakPolarHBondContact CE-O 3.48Å; M295-V411 HydrophobicContact CB-CG2 3.85Å; M295-V411 HydrophobicContact CE-CG1 4.41Å; M295-V411 HydrophobicContact CE-CG2 4.19Å; M295-V411 HydrophobicContact CG-CG2 4.1Å; M295-V412 PolarHBondContact N-O 3.32Å; M295-P413 HydrophobicContact CE-CB 4.29Å; M295-E418 HydrophobicContact CB-CB 4.43Å; M295-E418 HydrophobicContact CB-CG 4.26Å; M295-E418 HydrophobicContact CG-CB 4.43Å; M295-E418 HydrophobicContact CG-CG 4.17Å; M295-E418 HydrophobicContact SD-CB 3.6Å; M295-E418 VanDerWaalsContact SD-CB 3.6Å; M295-E418 HydrophobicContact SD-CG 3.79Å; M295-L421 HydrophobicContact SD-CB 4.13Å; M295-Y422 HydrophobicContact CE-CD2 4.1Å
296	E	95.8	Very high	94.2	Very high	57 Å²	57	62.6 Å²	62.6	27%	0.266	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-58.9	-23.2	179	68.6	-172.7	154.9	0	0	114.8	W294 K299 R414 E418	W294-E296 HydrophobicContact CB-CG 4.03Å; W294-E296 PolarHBondContact O-N 2.92Å; E296-K299 WeakPolarHBondContact O-CD 3.38Å; E296-K299 WeakPolarHBondContact O-CE 3.32Å; E296-K299 WeakPolarHBondContact O-CG 3.29Å; E296-K299 PolarHBondContact O-NZ 2.99Å; E296-R414 WeakPolarHBondContact OE1-CD 3.43Å; E296-R414 IonicContact OE1-CZ 3.58Å; E296-R414 IonicContact OE1-NE 2.75Å; E296-R414 IonicContact OE1-NH1 2.73Å; E296-R414 PolarHBondContact OE1-NH1 2.78Å; E296-E418 WeakPolarHBondContact CA-OE1 3.32Å; E296-E418 WeakPolarHBondContact CB-OE1 3.32Å; E296-E418 PolarHBondContact N-OE1 3.09Å; E296-E418 VanDerWaalsContact N-OE1 3.11Å
297	D	96	Very high	94.1	Very high	108 Å²	108	64.5 Å²	64.5	58%	0.578	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-90.9	-16.6	178.5	-63.8	-34.8	0	0	0	112	V293 W294 M295 K299	V293-D297 HydrophobicContact CG1-CB 4.25Å; W294-D297 PolarHBondContact O-N 3.48Å; M295-D297 PolarHBondContact O-N 3.44Å; M295-D297 VanDerWaalsContact O-N 3.07Å; D297-K299 VanDerWaalsContact C-N 3.27Å; D297-K299 PolarHBondContact O-N 3.21Å
298	A	96.6	Very high	93.8	Very high	5 Å²	5	61.9 Å²	61.9	4%	0.041	33%	0.329	C	S	.	.	S	Bend	trans	-91.7	41.5	-178.7	0	0	0	0	0	113.2	W294 M295 N333 F337 Q367 V368 V411	W294-A298 PolarHBondContact O-N 2.74Å; M295-A298 PolarHBondContact O-N 2.74Å; A298-N333 PolarHBondContact O-ND2 2.86Å; A298-N333 PolarHBondContact O-OD1 2.89Å; A298-F337 HydrophobicContact CB-CD2 3.6Å; A298-F337 HydrophobicContact CB-CE2 3.75Å; A298-Q367 PolarHBondContact O-NE2 3.48Å; A298-V368 HydrophobicContact CB-CB 3.85Å; A298-V368 HydrophobicContact CB-CG2 4.13Å; A298-V368 PolarHBondContact O-N 3.39Å; A298-V411 HydrophobicContact CB-CG2 4.39Å
299	K	96.7	Very high	93.2	Very high	102 Å²	102	67.2 Å²	67.2	44%	0.443	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.5	-175.4	71	-173.1	174.5	-131.8	0	112.9	E296 D297 S366	E296-K299 WeakPolarHBondContact O-CD 3.38Å; E296-K299 WeakPolarHBondContact O-CE 3.32Å; E296-K299 WeakPolarHBondContact O-CG 3.29Å; E296-K299 PolarHBondContact O-NZ 2.99Å; D297-K299 VanDerWaalsContact C-N 3.27Å; D297-K299 PolarHBondContact O-N 3.21Å; K299-S366 CarbonylContact C-O 3.53Å; K299-S366 VanDerWaalsContact CA-O 3.28Å; K299-S366 WeakPolarHBondContact CA-O 3.45Å
300	L	97.7	Very high	92.6	Very high	56 Å²	56	67.1 Å²	67.1	29%	0.293	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.9	166.3	-71.8	-176.6	0	0	0	109.9	L329 A332 N333 S366	L300-L329 HydrophobicContact CB-CD1 4.02Å; L300-A332 HydrophobicContact CD1-CB 4.12Å; L300-N333 HydrophobicContact CB-CB 4.23Å; L300-N333 VanDerWaalsContact CD1-CA 3.47Å; L300-N333 HydrophobicContact CD1-CB 3.86Å; L300-N333 HydrophobicContact CG-CB 4.09Å; L300-S366 PolarHBondContact N-O 3.13Å; L300-S366 WeakPolarHBondContact O-CA 3.26Å; L300-S366 PolarHBondContact O-N 2.91Å
301	K	97.1	Very high	91.9	Very high	156 Å²	156	63.3 Å²	63.3	68%	0.678	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	146	177.2	-63.6	-171.6	177.5	-173.6	0	110.4	L364	K301-L364 CarbonylContact C-O 3.51Å; K301-L364 VanDerWaalsContact CA-O 3.3Å; K301-L364 WeakPolarHBondContact CA-O 2.98Å
302	G	95.7	Very high	90.9	Very high	25 Å²	25	59.4 Å²	59.4	26%	0.258	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150.7	173.3	0	0	0	0	0	110.5	L364	G302-L364 PolarHBondContact N-O 3.19Å; G302-L364 PolarHBondContact O-N 2.93Å
303	L	94.3	Very high	89.8	Confident	104 Å²	104	59.4 Å²	59.4	55%	0.545	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.1	172.1	175.1	70	0	0	0	107.8	L361 L362 M363	L303-L361 HydrophobicContact CD1-CB 4.22Å; L303-L362 WeakPolarHBondContact CA-O 3.35Å; L303-M363 HydrophobicContact CD1-CG 3.89Å; L303-M363 HydrophobicContact CD1-SD 4.44Å
304	E	92	Very high	88.4	Confident	55 Å²	55	58.1 Å²	58.1	26%	0.257	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.5	176.2	-70.3	-74.4	170	0	0	109.5	K325 L362	E304-K325 VanDerWaalsContact CD-NZ 3.29Å; E304-K325 HydrophobicContact CG-CD 4.15Å; E304-K325 HydrophobicContact CG-CG 4.41Å; E304-K325 WeakPolarHBondContact OE1-CE 3.3Å; E304-K325 IonicContact OE1-NZ 3.18Å; E304-K325 PolarHBondContact OE1-NZ 3.05Å; E304-K325 IonicContact OE2-NZ 3.75Å; E304-K325 PolarHBondContact OE2-NZ 3.35Å; E304-L362 HydrophobicContact CB-CB 4.28Å; E304-L362 HydrophobicContact CB-CD2 4.36Å; E304-L362 PolarHBondContact N-O 2.75Å; E304-L362 WeakPolarHBondContact O-CB 3.13Å; E304-L362 PolarHBondContact O-N 2.87Å
305	I	90.9	Very high	87.2	Confident	81 Å²	81	57.7 Å²	57.7	42%	0.415	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.4	171	-55.2	178.6	0	0	0	107.7	H307 Q310 L361	I305-H307 PolarHBondContact O-CD2 3.07Å; I305-H307 VanDerWaalsContact O-CD2 3.31Å; I305-H307 PolarHBondContact O-N 3.02Å; I305-H307 VanDerWaalsContact O-N 3.12Å; I305-Q310 PolarHBondContact O-OE1 2.76Å; I305-L361 HydrophobicContact CG1-CD2 3.94Å
306	C	88.4	Confident	86.3	Confident	1 Å²	1	60 Å²	60	1%	0.007	29%	0.294	C	S	.	.			trans	-78	93.9	-175.8	-70.1	0	0	0	0	110.9	I317 G359 S360	C306-I317 HydrophobicContact CB-CD1 3.56Å; C306-I317 HydrophobicContact CB-CG1 3.66Å; C306-G359 PolarHBondContact O-N 3.21Å; C306-S360 VanDerWaalsContact CB-O 3.26Å; C306-S360 WeakPolarHBondContact CB-O 3.29Å; C306-S360 PolarHBondContact N-O 3.23Å; C306-S360 VanDerWaalsContact N-O 3.08Å; C306-S360 PolarHBondContact SG-O 2.93Å; C306-S360 VanDerWaalsContact SG-O 3.33Å
307	H	86.9	Confident	85.6	Confident	91 Å²	91	57.7 Å²	57.7	42%	0.421	28%	0.284	S	S	.	.			trans	-93	158.3	-177.9	-66	-64.2	0	0	0	113.2	I305 Q309 Q310	I305-H307 PolarHBondContact O-CD2 3.07Å; I305-H307 VanDerWaalsContact O-CD2 3.31Å; I305-H307 PolarHBondContact O-N 3.02Å; I305-H307 VanDerWaalsContact O-N 3.12Å; H307-Q309 PolarHBondContact O-N 3.4Å; H307-Q310 WeakPolarHBondContact O-CB 3.46Å; H307-Q310 PolarHBondContact O-N 2.82Å
308	P	83.1	Confident	84.7	Confident	37 Å²	37	53.7 Å²	53.7	24%	0.24	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-55	-26.6	-179	-28.5	35.4	0	0	0	115.6	W61 Q310 R311 I358	W61-P308 HydrophobicContact CD2-CB 3.99Å; W61-P308 HydrophobicContact CD2-CG 3.92Å; W61-P308 HydrophobicContact CE3-CB 3.86Å; W61-P308 HydrophobicContact CE3-CG 4.15Å; W61-P308 HydrophobicContact CG-CB 4.3Å; W61-P308 HydrophobicContact CG-CG 4.27Å; W61-P308 HydrophobicContact CZ2-CG 4.49Å; W61-P308 HydrophobicContact CZ3-CB 4.43Å; P308-Q310 PolarHBondContact O-N 3.42Å; P308-R311 WeakPolarHBondContact O-CB 3.44Å; P308-R311 WeakPolarHBondContact O-CD 3.39Å; P308-R311 WeakPolarHBondContact O-CG 3.41Å; P308-R311 PolarHBondContact O-N 3.24Å; P308-I358 HydrophobicContact CG-CG2 3.99Å
309	Q	81.1	Confident	84.2	Confident	164 Å²	164	53.9 Å²	53.9	77%	0.766	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.2	177.5	-61.2	85.6	-9.9	0	0	113.1	H307	H307-Q309 PolarHBondContact O-N 3.4Å
310	Q	79.8	Confident	83.8	Confident	37 Å²	37	49 Å²	49	17%	0.173	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-99.2	6.6	-176.6	-58.5	156.6	-21.5	0	0	112.2	I305 H307 P308 I317 F318 F321	I305-Q310 PolarHBondContact O-OE1 2.76Å; H307-Q310 WeakPolarHBondContact O-CB 3.46Å; H307-Q310 PolarHBondContact O-N 2.82Å; P308-Q310 PolarHBondContact O-N 3.42Å; Q310-I317 HydrophobicContact CB-CD1 3.86Å; Q310-F318 PolarHBondContact O-N 2.69Å; Q310-F321 HydrophobicContact CB-CD1 4.38Å; Q310-F321 HydrophobicContact CB-CD2 4.1Å; Q310-F321 HydrophobicContact CB-CE1 4.45Å; Q310-F321 HydrophobicContact CB-CE2 4.19Å; Q310-F321 HydrophobicContact CB-CG 4.21Å; Q310-F321 HydrophobicContact CB-CZ 4.37Å; Q310-F321 HydrophobicContact CG-CD2 3.89Å; Q310-F321 HydrophobicContact CG-CE1 4.36Å; Q310-F321 HydrophobicContact CG-CE2 3.54Å; Q310-F321 HydrophobicContact CG-CG 4.45Å; Q310-F321 HydrophobicContact CG-CZ 3.81Å
311	R	77.6	Confident	83.5	Confident	48 Å²	48	46.5 Å²	46.5	18%	0.181	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-75.5	146.7	-178	79.6	-171.1	170.9	145.8	-4.7	112.5	S58 T59 N60 P308 N315 R316 I358	S58-R311 PolarHBondContact O-NH2 3.11Å; T59-R311 PolarHBondContact O-NH2 3.27Å; N60-R311 PolarHBondContact O-NH2 3.28Å; P308-R311 WeakPolarHBondContact O-CB 3.44Å; P308-R311 WeakPolarHBondContact O-CD 3.39Å; P308-R311 WeakPolarHBondContact O-CG 3.41Å; P308-R311 PolarHBondContact O-N 3.24Å; R311-N315 PolarHBondContact NH1-OD1 3.28Å; R311-R316 CarbonylContact C-O 3.43Å; R311-R316 WeakPolarHBondContact CA-O 3.4Å; R311-I358 HydrophobicContact CB-CD1 3.66Å; R311-I358 HydrophobicContact CB-CG1 4.34Å
312	N	72.8	Confident	83.3	Confident	27 Å²	27	39.3 Å²	39.3	14%	0.144	20%	0.198	C	C	.	.			trans	-78.4	179	163.7	71	10.3	0	0	0	110.6	F314 N315 R316 F318	N312-F314 PolarHBondContact O-N 3.26Å; N312-F314 VanDerWaalsContact OD1-C 3.24Å; N312-F314 VanDerWaalsContact OD1-CA 3.28Å; N312-F314 WeakPolarHBondContact OD1-CA 3Å; N312-F314 WeakPolarHBondContact OD1-CB 3.42Å; N312-F314 PolarHBondContact OD1-N 3.34Å; N312-N315 PolarHBondContact O-N 2.86Å; N312-N315 VanDerWaalsContact O-N 3.12Å; N312-N315 PolarHBondContact OD1-N 2.94Å; N312-R316 PolarHBondContact N-O 3.45Å; N312-R316 PolarHBondContact OD1-N 3Å; N312-R316 PolarHBondContact OD1-O 2.65Å; N312-F318 HydrophobicContact CB-CB 4.09Å; N312-F318 HydrophobicContact CB-CD2 3.73Å; N312-F318 HydrophobicContact CB-CG 4.35Å
313	I	72.3	Confident	83.2	Confident	22 Å²	22	38.1 Å²	38.1	11%	0.113	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-5.6	178	63.9	-168.3	0	0	0	114.3	L51 R52 V55 A57 V132 Y136	L51-I313 HydrophobicContact CB-CD1 4.16Å; L51-I313 HydrophobicContact CB-CG2 4.19Å; L51-I313 HydrophobicContact CD2-CD1 4.46Å; R52-I313 HydrophobicContact CG-CG2 4.08Å; V55-I313 HydrophobicContact CB-CD1 4.21Å; V55-I313 HydrophobicContact CG1-CB 4.44Å; V55-I313 HydrophobicContact CG1-CD1 4.45Å; V55-I313 HydrophobicContact CG1-CG1 4.35Å; V55-I313 HydrophobicContact CG2-CD1 3.55Å; V55-I313 HydrophobicContact CG2-CG1 4.31Å; A57-I313 HydrophobicContact CB-CB 4.06Å; A57-I313 HydrophobicContact CB-CG2 4.48Å; V132-I313 HydrophobicContact CG1-CD1 4.36Å; Y136-I313 HydrophobicContact CE2-CD1 4.04Å
314	F	67.1	Low	83.3	Confident	17 Å²	17	34.9 Å²	34.9	8%	0.075	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	18.3	176.9	-53.4	-64.2	0	0	0	113.3	V55 Y136 I151 V152 N312 R316	V55-F314 HydrophobicContact CG1-CD1 4.39Å; V55-F314 HydrophobicContact CG1-CE1 3.58Å; V55-F314 HydrophobicContact CG1-CZ 4.08Å; V55-F314 HydrophobicContact CG2-CE1 4.44Å; V55-F314 HydrophobicContact CG2-CZ 4.17Å; Y136-F314 HydrophobicContact CE2-CZ 4.32Å; Y136-F314 WeakPolarHBondContact OH-CZ 3.38Å; I151-F314 WeakPolarHBondContact O-CE2 3.35Å; V152-F314 HydrophobicContact CG1-CD2 4.3Å; N312-F314 PolarHBondContact O-N 3.26Å; N312-F314 VanDerWaalsContact OD1-C 3.24Å; N312-F314 VanDerWaalsContact OD1-CA 3.28Å; N312-F314 WeakPolarHBondContact OD1-CA 3Å; N312-F314 WeakPolarHBondContact OD1-CB 3.42Å; N312-F314 PolarHBondContact OD1-N 3.34Å; F314-R316 VanDerWaalsContact C-N 3.26Å; F314-R316 PolarHBondContact O-N 3.3Å
315	N	71.8	Confident	83.4	Confident	19 Å²	19	34 Å²	34	10%	0.102	16%	0.161	C	C	.	.	S	Bend	trans	59.8	30.2	-179.9	-60.6	-29.1	0	0	0	115.3	H64 M68 R311 N312 I358	H64-N315 WeakPolarHBondContact CB-ND2 2.96Å; M68-N315 VanDerWaalsContact CG-ND2 3.29Å; M68-N315 WeakPolarHBondContact CG-ND2 3.31Å; R311-N315 PolarHBondContact NH1-OD1 3.28Å; N312-N315 PolarHBondContact O-N 2.86Å; N312-N315 VanDerWaalsContact O-N 3.12Å; N312-N315 PolarHBondContact OD1-N 2.94Å; N315-I358 HydrophobicContact CB-CD1 4.34Å; N315-I358 WeakPolarHBondContact O-CD1 3.44Å
316	R	78.8	Confident	83.7	Confident	48 Å²	48	30.1 Å²	30.1	18%	0.181	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-122.3	163.3	172.4	-68.7	-168	176.3	142.9	5.4	111.2	N217 R311 N312 F314 F318 E357	N217-R316 PolarHBondContact ND2-NH1 2.87Å; R311-R316 CarbonylContact C-O 3.43Å; R311-R316 WeakPolarHBondContact CA-O 3.4Å; N312-R316 PolarHBondContact N-O 3.45Å; N312-R316 PolarHBondContact OD1-N 3Å; N312-R316 PolarHBondContact OD1-O 2.65Å; F314-R316 VanDerWaalsContact C-N 3.26Å; F314-R316 PolarHBondContact O-N 3.3Å; R316-F318 PolarHBondContact O-N 3.17Å; R316-E357 IonicContact CZ-OE1 3.57Å; R316-E357 IonicContact NE-OE1 3.6Å; R316-E357 PolarHBondContact NE-OE1 3.04Å; R316-E357 IonicContact NE-OE2 2.86Å; R316-E357 IonicContact NH2-OE1 2.81Å
317	I	81	Confident	84.1	Confident	9 Å²	9	31.1 Å²	31.1	5%	0.046	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-64.5	131.3	176.9	-60.1	-62.3	0	0	0	110	C306 Q310 F321 L322 V356 I358	C306-I317 HydrophobicContact CB-CD1 3.56Å; C306-I317 HydrophobicContact CB-CG1 3.66Å; Q310-I317 HydrophobicContact CB-CD1 3.86Å; I317-F321 HydrophobicContact CG2-CB 4.47Å; I317-F321 HydrophobicContact CG2-CD1 3.6Å; I317-F321 HydrophobicContact CG2-CE1 4.31Å; I317-F321 HydrophobicContact CG2-CG 4.41Å; I317-L322 HydrophobicContact CG2-CD1 4.46Å; I317-L322 HydrophobicContact CG2-CG 4.14Å; I317-V356 HydrophobicContact CB-CB 3.94Å; I317-V356 HydrophobicContact CB-CG1 3.94Å; I317-V356 HydrophobicContact CG1-CB 4.32Å; I317-V356 HydrophobicContact CG1-CG1 3.81Å; I317-V356 HydrophobicContact CG2-CG1 4.47Å; I317-V356 PolarHBondContact N-O 3.41Å; I317-I358 HydrophobicContact CD1-CG1 4.35Å
318	F	78	Confident	84.6	Confident	23 Å²	23	29.4 Å²	29.4	10%	0.101	14%	0.138	C	C	.	.			trans	-71.8	139.3	-173.7	-176.2	-123.1	0	0	0	111.6	E125 D128 S129 Q310 N312 R316 G320 F321 L322	E125-F318 HydrophobicContact CG-CD1 4.09Å; E125-F318 HydrophobicContact CG-CE1 3.83Å; E125-F318 WeakPolarHBondContact O-CE1 3.12Å; D128-F318 HydrophobicContact CB-CE1 4.12Å; D128-F318 HydrophobicContact CB-CE2 4.47Å; D128-F318 HydrophobicContact CB-CZ 3.74Å; D128-F318 WeakPolarHBondContact OD2-CE2 3.37Å; D128-F318 WeakPolarHBondContact OD2-CZ 3.46Å; S129-F318 WeakPolarHBondContact OG-CZ 3.35Å; Q310-F318 PolarHBondContact O-N 2.69Å; N312-F318 HydrophobicContact CB-CB 4.09Å; N312-F318 HydrophobicContact CB-CD2 3.73Å; N312-F318 HydrophobicContact CB-CG 4.35Å; R316-F318 PolarHBondContact O-N 3.17Å; F318-G320 VanDerWaalsContact C-N 3.29Å; F318-G320 PolarHBondContact O-N 2.82Å; F318-F321 HydrophobicContact CB-CB 4.21Å; F318-F321 WeakPolarHBondContact O-CB 3.15Å; F318-F321 PolarHBondContact O-N 3.01Å; F318-L322 PolarHBondContact O-N 3.37Å
319	G	84.9	Confident	85.3	Confident	9 Å²	9	28.9 Å²	28.9	9%	0.093	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-43.5	-179.8	0	0	0	0	0	111.7	D128 F321 L322 M323	D128-G319 WeakPolarHBondContact OD2-CA 3.18Å; D128-G319 PolarHBondContact OD2-N 3.37Å; G319-F321 VanDerWaalsContact C-N 3.26Å; G319-F321 PolarHBondContact O-N 2.96Å; G319-L322 WeakPolarHBondContact O-CB 3.39Å; G319-L322 PolarHBondContact O-N 3.5Å; G319-L322 VanDerWaalsContact O-N 3.16Å; G319-M323 PolarHBondContact O-N 3.34Å
320	G	89	Confident	86.1	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.4	-34.5	173.4	0	0	0	0	0	114.1	D128 F318 R324	D128-G320 VanDerWaalsContact CG-N 3.33Å; D128-G320 PolarHBondContact OD2-N 3.08Å; F318-G320 VanDerWaalsContact C-N 3.29Å; F318-G320 PolarHBondContact O-N 2.82Å; G320-R324 WeakPolarHBondContact O-CB 3.47Å; G320-R324 PolarHBondContact O-N 3.35Å
321	F	90.4	Very high	86.9	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-69.1	-43.5	176.5	175.3	-94.1	0	0	0	111.6	Q310 I317 F318 G319 R324 K325	Q310-F321 HydrophobicContact CB-CD1 4.38Å; Q310-F321 HydrophobicContact CB-CD2 4.1Å; Q310-F321 HydrophobicContact CB-CE1 4.45Å; Q310-F321 HydrophobicContact CB-CE2 4.19Å; Q310-F321 HydrophobicContact CB-CG 4.21Å; Q310-F321 HydrophobicContact CB-CZ 4.37Å; Q310-F321 HydrophobicContact CG-CD2 3.89Å; Q310-F321 HydrophobicContact CG-CE1 4.36Å; Q310-F321 HydrophobicContact CG-CE2 3.54Å; Q310-F321 HydrophobicContact CG-CG 4.45Å; Q310-F321 HydrophobicContact CG-CZ 3.81Å; I317-F321 HydrophobicContact CG2-CB 4.47Å; I317-F321 HydrophobicContact CG2-CD1 3.6Å; I317-F321 HydrophobicContact CG2-CE1 4.31Å; I317-F321 HydrophobicContact CG2-CG 4.41Å; F318-F321 HydrophobicContact CB-CB 4.21Å; F318-F321 WeakPolarHBondContact O-CB 3.15Å; F318-F321 PolarHBondContact O-N 3.01Å; G319-F321 VanDerWaalsContact C-N 3.26Å; G319-F321 PolarHBondContact O-N 2.96Å; F321-R324 VanDerWaalsContact CE2-NH2 3.28Å; F321-R324 PolarHBondContact O-N 3.08Å; F321-K325 HydrophobicContact CD1-CG 4.39Å; F321-K325 HydrophobicContact CD2-CG 4.47Å; F321-K325 HydrophobicContact CE1-CG 3.9Å; F321-K325 HydrophobicContact CE2-CD 4.42Å; F321-K325 HydrophobicContact CE2-CG 3.97Å; F321-K325 HydrophobicContact CZ-CD 4.23Å; F321-K325 HydrophobicContact CZ-CG 3.65Å; F321-K325 WeakPolarHBondContact O-CG 3.33Å; F321-K325 PolarHBondContact O-N 3.21Å
322	L	92.7	Very high	87.8	Confident	4 Å²	4	22.6 Å²	22.6	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-47.9	175.2	-72.9	157.9	0	0	0	110.8	I317 F318 G319 R324 K325 A326 F352 V356 L362 F398	I317-L322 HydrophobicContact CG2-CD1 4.46Å; I317-L322 HydrophobicContact CG2-CG 4.14Å; F318-L322 PolarHBondContact O-N 3.37Å; G319-L322 WeakPolarHBondContact O-CB 3.39Å; G319-L322 PolarHBondContact O-N 3.5Å; G319-L322 VanDerWaalsContact O-N 3.16Å; L322-R324 PolarHBondContact O-N 3.45Å; L322-K325 PolarHBondContact O-N 2.82Å; L322-A326 WeakPolarHBondContact O-CB 3.4Å; L322-A326 PolarHBondContact O-N 3.15Å; L322-F352 HydrophobicContact CB-CE1 4.36Å; L322-F352 HydrophobicContact CD1-CD1 4.34Å; L322-F352 HydrophobicContact CD1-CE1 4.08Å; L322-V356 HydrophobicContact CD1-CG2 4.12Å; L322-V356 HydrophobicContact CD2-CG2 4.24Å; L322-L362 HydrophobicContact CD2-CD1 3.65Å; L322-L362 HydrophobicContact CD2-CD2 3.62Å; L322-L362 HydrophobicContact CD2-CG 4.29Å; L322-F398 HydrophobicContact CB-CZ 4.38Å
323	M	94.9	Very high	89	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.5	-46.9	176.5	-73.3	-172	-71.8	0	0	112	L124 D128 V156 F208 G319 K325 A326 Y327 I350 F352 F398	L124-M323 HydrophobicContact CB-CB 4.21Å; L124-M323 HydrophobicContact CD1-CB 4.23Å; D128-M323 HydrophobicContact CB-CE 3.66Å; V156-M323 HydrophobicContact CG2-CE 4.43Å; V156-M323 HydrophobicContact CG2-SD 3.93Å; F208-M323 HydrophobicContact CE1-CE 3.95Å; F208-M323 HydrophobicContact CZ-CE 4.31Å; G319-M323 PolarHBondContact O-N 3.34Å; M323-K325 PolarHBondContact O-N 3.05Å; M323-A326 PolarHBondContact O-N 2.81Å; M323-Y327 VanDerWaalsContact O-CB 3.27Å; M323-Y327 WeakPolarHBondContact O-CB 3.41Å; M323-Y327 PolarHBondContact O-N 3.43Å; M323-I350 HydrophobicContact CG-CD1 3.94Å; M323-I350 HydrophobicContact SD-CD1 3.73Å; M323-F352 HydrophobicContact CE-CZ 4.26Å; M323-F352 HydrophobicContact CG-CZ 3.96Å; M323-F352 HydrophobicContact SD-CZ 4.14Å; M323-F398 HydrophobicContact CG-CE1 3.91Å
324	R	95.1	Very high	90.2	Very high	36 Å²	36	20.4 Å²	20.4	14%	0.136	10%	0.097	C	C	.	.	H	α-helix	trans	-57.3	-51.1	177.3	-179	175.6	67.8	134.6	-1.5	111.9	G121 E125 G320 F321 L322 Y327 E328	G121-R324 VanDerWaalsContact O-CB 3.31Å; G121-R324 WeakPolarHBondContact O-CB 3.35Å; E125-R324 WeakPolarHBondContact OE2-CD 3.29Å; E125-R324 IonicContact OE2-CZ 3.71Å; E125-R324 IonicContact OE2-NE 3.41Å; E125-R324 PolarHBondContact OE2-NE 3.24Å; G320-R324 WeakPolarHBondContact O-CB 3.47Å; G320-R324 PolarHBondContact O-N 3.35Å; F321-R324 VanDerWaalsContact CE2-NH2 3.28Å; F321-R324 PolarHBondContact O-N 3.08Å; L322-R324 PolarHBondContact O-N 3.45Å; R324-Y327 PolarHBondContact O-N 3.49Å; R324-E328 HydrophobicContact CG-CG 4.4Å; R324-E328 WeakPolarHBondContact O-CB 2.98Å; R324-E328 WeakPolarHBondContact O-CG 3.5Å; R324-E328 PolarHBondContact O-N 2.77Å
325	K	95.6	Very high	91.6	Very high	36 Å²	36	21.2 Å²	21.2	16%	0.157	10%	0.104	C	C	.	.	H	α-helix	trans	-66.7	-39.8	-176.5	-71.1	-64.1	-170.7	167.7	0	112.1	E304 F321 L322 M323 L329 L364	E304-K325 VanDerWaalsContact CD-NZ 3.29Å; E304-K325 HydrophobicContact CG-CD 4.15Å; E304-K325 HydrophobicContact CG-CG 4.41Å; E304-K325 WeakPolarHBondContact OE1-CE 3.3Å; E304-K325 IonicContact OE1-NZ 3.18Å; E304-K325 PolarHBondContact OE1-NZ 3.05Å; E304-K325 IonicContact OE2-NZ 3.75Å; E304-K325 PolarHBondContact OE2-NZ 3.35Å; F321-K325 HydrophobicContact CD1-CG 4.39Å; F321-K325 HydrophobicContact CD2-CG 4.47Å; F321-K325 HydrophobicContact CE1-CG 3.9Å; F321-K325 HydrophobicContact CE2-CD 4.42Å; F321-K325 HydrophobicContact CE2-CG 3.97Å; F321-K325 HydrophobicContact CZ-CD 4.23Å; F321-K325 HydrophobicContact CZ-CG 3.65Å; F321-K325 WeakPolarHBondContact O-CG 3.33Å; F321-K325 PolarHBondContact O-N 3.21Å; L322-K325 PolarHBondContact O-N 2.82Å; M323-K325 PolarHBondContact O-N 3.05Å; K325-L329 PolarHBondContact O-N 2.57Å; K325-L329 VanDerWaalsContact O-N 3.12Å; K325-L364 HydrophobicContact CB-CD1 3.79Å
326	A	96.8	Very high	92.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-43.4	174.3	0	0	0	0	0	112	L322 M323 L329 G330 L364 V380 F398 Y400	L322-A326 WeakPolarHBondContact O-CB 3.4Å; L322-A326 PolarHBondContact O-N 3.15Å; M323-A326 PolarHBondContact O-N 2.81Å; A326-L329 PolarHBondContact O-N 3.28Å; A326-G330 PolarHBondContact O-N 3.37Å; A326-L364 HydrophobicContact CB-CD2 4.43Å; A326-V380 HydrophobicContact CB-CB 4.41Å; A326-V380 HydrophobicContact CB-CG1 4.05Å; A326-F398 HydrophobicContact CB-CB 4.39Å; A326-F398 HydrophobicContact CB-CD1 4.06Å; A326-F398 HydrophobicContact CB-CD2 3.28Å; A326-F398 HydrophobicContact CB-CE1 4.14Å; A326-F398 HydrophobicContact CB-CE2 3.37Å; A326-F398 HydrophobicContact CB-CG 3.65Å; A326-F398 HydrophobicContact CB-CZ 3.82Å; A326-Y400 HydrophobicContact CB-CE2 4.5Å
327	Y	97	Very high	93.6	Very high	22 Å²	22	23.3 Å²	23.3	9%	0.086	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-48.3	176.6	175.4	-92.7	0	0	0	111.8	F120 L124 M323 R324 L329 G330 W331 L344 Y400 F402	F120-Y327 HydrophobicContact CB-CE1 3.8Å; F120-Y327 HydrophobicContact CB-CE2 4.38Å; F120-Y327 AromaticContact CD1-CD2 3.95Å; F120-Y327 HydrophobicContact CD1-CD2 3.95Å; F120-Y327 HydrophobicContact CD1-CE1 4.34Å; F120-Y327 AromaticContact CD1-CE2 3.66Å; F120-Y327 HydrophobicContact CD1-CE2 3.66Å; F120-Y327 HydrophobicContact CD1-CG 4.4Å; F120-Y327 AromaticContact CD1-CZ 3.89Å; F120-Y327 HydrophobicContact CE1-CE2 4.45Å; F120-Y327 HydrophobicContact CG-CE2 4.38Å; L124-Y327 HydrophobicContact CD1-CG 4.44Å; M323-Y327 VanDerWaalsContact O-CB 3.27Å; M323-Y327 WeakPolarHBondContact O-CB 3.41Å; M323-Y327 PolarHBondContact O-N 3.43Å; R324-Y327 PolarHBondContact O-N 3.49Å; Y327-L329 VanDerWaalsContact C-N 3.3Å; Y327-L329 PolarHBondContact O-N 3Å; Y327-G330 PolarHBondContact O-N 3.16Å; Y327-W331 HydrophobicContact CE1-CB 4.36Å; Y327-W331 VanDerWaalsContact O-CB 3.32Å; Y327-W331 WeakPolarHBondContact O-CB 3.38Å; Y327-W331 PolarHBondContact O-N 2.79Å; Y327-L344 HydrophobicContact CE2-CB 4.43Å; Y327-L344 HydrophobicContact CE2-CD1 4.01Å; Y327-L344 HydrophobicContact CE2-CD2 3.87Å; Y327-L344 HydrophobicContact CE2-CG 4.33Å; Y327-Y400 HydrophobicContact CD2-CD1 4.13Å; Y327-Y400 AromaticContact CD2-CE1 3.91Å; Y327-Y400 HydrophobicContact CD2-CE1 3.91Å; Y327-Y400 PolarHBondContact N-OH 3.34Å; Y327-F402 HydrophobicContact CD2-CZ 4.5Å; Y327-F402 AromaticContact CE2-CE1 3.96Å; Y327-F402 HydrophobicContact CE2-CE1 3.96Å; Y327-F402 HydrophobicContact CE2-CZ 4.08Å
328	E	96.3	Very high	94.3	Very high	56 Å²	56	23.2 Å²	23.2	26%	0.262	13%	0.126	S	C	.	.	H	α-helix	trans	-59	-41.7	179.5	-74.3	175.8	166.8	0	0	111.2	R119 R324 A332	R119-E328 IonicContact CZ-OE1 3.85Å; R119-E328 IonicContact NE-OE1 2.87Å; R119-E328 IonicContact NH2-OE1 3.25Å; R119-E328 PolarHBondContact NH2-OE1 3.44Å; R324-E328 HydrophobicContact CG-CG 4.4Å; R324-E328 WeakPolarHBondContact O-CB 2.98Å; R324-E328 WeakPolarHBondContact O-CG 3.5Å; R324-E328 PolarHBondContact O-N 2.77Å; E328-A332 WeakPolarHBondContact O-CB 2.98Å; E328-A332 PolarHBondContact O-N 2.82Å
329	L	97.9	Very high	95	Very high	26 Å²	26	24.7 Å²	24.7	14%	0.136	15%	0.147	C	C	.	.	H	α-helix	trans	-69.1	-43.2	175.9	-174.1	68	0	0	0	112.6	L300 K325 A326 Y327 A332 N333 L364 V380	L300-L329 HydrophobicContact CB-CD1 4.02Å; K325-L329 PolarHBondContact O-N 2.57Å; K325-L329 VanDerWaalsContact O-N 3.12Å; A326-L329 PolarHBondContact O-N 3.28Å; Y327-L329 VanDerWaalsContact C-N 3.3Å; Y327-L329 PolarHBondContact O-N 3Å; L329-A332 PolarHBondContact O-N 2.83Å; L329-N333 PolarHBondContact O-N 2.82Å; L329-L364 HydrophobicContact CD2-CB 3.47Å; L329-L364 VanDerWaalsContact CD2-CB 3.47Å; L329-V380 HydrophobicContact CD2-CG1 4.22Å
330	G	97.9	Very high	95.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-44.7	178.6	0	0	0	0	0	112.2	A326 Y327 N333 A334	A326-G330 PolarHBondContact O-N 3.37Å; Y327-G330 PolarHBondContact O-N 3.16Å; G330-N333 PolarHBondContact O-N 3.24Å; G330-A334 PolarHBondContact O-N 2.89Å
331	W	97	Very high	95.5	Very high	79 Å²	79	32 Å²	32	30%	0.299	18%	0.175	S	C	.	.	H	α-helix	trans	-61.7	-43.4	174.4	-177.9	89.1	0	0	0	111.6	Y327 N333 A334 C335 R341 P342 F402	Y327-W331 HydrophobicContact CE1-CB 4.36Å; Y327-W331 VanDerWaalsContact O-CB 3.32Å; Y327-W331 WeakPolarHBondContact O-CB 3.38Å; Y327-W331 PolarHBondContact O-N 2.79Å; W331-N333 VanDerWaalsContact C-N 3.29Å; W331-N333 PolarHBondContact O-N 2.87Å; W331-A334 PolarHBondContact O-N 2.87Å; W331-C335 HydrophobicContact CE3-CB 4.46Å; W331-C335 HydrophobicContact CH2-CB 4.34Å; W331-C335 HydrophobicContact CZ3-CB 4.29Å; W331-C335 VanDerWaalsContact O-CB 3.29Å; W331-C335 WeakPolarHBondContact O-CB 3.35Å; W331-C335 PolarHBondContact O-N 3.03Å; W331-R341 HydrophobicContact CZ2-CB 4.43Å; W331-P342 PolarHBondContact NE1-O 3.31Å; W331-F402 HydrophobicContact CB-CE1 4.19Å; W331-F402 HydrophobicContact CB-CZ 3.97Å; W331-F402 AromaticContact CD1-CE1 3.81Å; W331-F402 HydrophobicContact CG-CE1 4.42Å
332	A	97.1	Very high	95.6	Very high	37 Å²	37	32.2 Å²	32.2	31%	0.306	18%	0.177	S	C	.	.	H	α-helix	trans	-60.7	-38.9	176.5	0	0	0	0	0	112	L300 E328 L329 C335 S336	L300-A332 HydrophobicContact CD1-CB 4.12Å; E328-A332 WeakPolarHBondContact O-CB 2.98Å; E328-A332 PolarHBondContact O-N 2.82Å; L329-A332 PolarHBondContact O-N 2.83Å; A332-C335 PolarHBondContact O-N 2.91Å; A332-S336 WeakPolarHBondContact O-CB 3.45Å; A332-S336 PolarHBondContact O-N 2.91Å
333	N	98.1	Very high	95.7	Very high	4 Å²	4	34 Å²	34	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-68.9	-45.3	177.7	-164.2	24.7	0	0	0	111.8	A298 L300 L329 G330 W331 C335 S336 F337 S366 V368	A298-N333 PolarHBondContact O-ND2 2.86Å; A298-N333 PolarHBondContact O-OD1 2.89Å; L300-N333 HydrophobicContact CB-CB 4.23Å; L300-N333 VanDerWaalsContact CD1-CA 3.47Å; L300-N333 HydrophobicContact CD1-CB 3.86Å; L300-N333 HydrophobicContact CG-CB 4.09Å; L329-N333 PolarHBondContact O-N 2.82Å; G330-N333 PolarHBondContact O-N 3.24Å; W331-N333 VanDerWaalsContact C-N 3.29Å; W331-N333 PolarHBondContact O-N 2.87Å; N333-C335 VanDerWaalsContact C-N 3.28Å; N333-C335 PolarHBondContact O-N 2.86Å; N333-S336 PolarHBondContact O-N 2.93Å; N333-F337 VanDerWaalsContact O-CB 3.27Å; N333-F337 WeakPolarHBondContact O-CB 3.48Å; N333-F337 PolarHBondContact O-N 3.05Å; N333-S366 WeakPolarHBondContact CB-OG 3.37Å; N333-S366 PolarHBondContact ND2-O 3.44Å; N333-S366 PolarHBondContact ND2-OG 3.43Å; N333-S366 VanDerWaalsContact ND2-OG 3.08Å; N333-V368 PolarHBondContact ND2-N 2.94Å
334	A	97.6	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-40.6	174.3	0	0	0	0	0	111.8	G330 W331 F337 G338 P342 I376 V378 F402	G330-A334 PolarHBondContact O-N 2.89Å; W331-A334 PolarHBondContact O-N 2.87Å; A334-F337 PolarHBondContact O-N 2.92Å; A334-G338 PolarHBondContact O-N 3.31Å; A334-P342 HydrophobicContact CB-CB 4.43Å; A334-P342 HydrophobicContact CB-CG 3.78Å; A334-I376 HydrophobicContact CB-CD1 4.11Å; A334-I376 HydrophobicContact CB-CG2 4.35Å; A334-I376 WeakPolarHBondContact O-CD1 3.46Å; A334-V378 HydrophobicContact CB-CG2 3.97Å; A334-F402 HydrophobicContact CB-CB 4.16Å; A334-F402 HydrophobicContact CB-CD2 3.58Å; A334-F402 HydrophobicContact CB-CE2 4.12Å; A334-F402 HydrophobicContact CB-CG 3.92Å
335	C	95.9	Very high	95.6	Very high	33 Å²	33	33.5 Å²	33.5	22%	0.223	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-45.1	176.7	-174	0	0	0	0	112.2	W331 A332 N333 G339 C340 P342	W331-C335 HydrophobicContact CE3-CB 4.46Å; W331-C335 HydrophobicContact CH2-CB 4.34Å; W331-C335 HydrophobicContact CZ3-CB 4.29Å; W331-C335 VanDerWaalsContact O-CB 3.29Å; W331-C335 WeakPolarHBondContact O-CB 3.35Å; W331-C335 PolarHBondContact O-N 3.03Å; A332-C335 PolarHBondContact O-N 2.91Å; N333-C335 VanDerWaalsContact C-N 3.28Å; N333-C335 PolarHBondContact O-N 2.86Å; C335-G339 WeakPolarHBondContact O-CA 3.4Å; C335-G339 PolarHBondContact O-N 2.98Å; C335-C340 WeakPolarHBondContact CA-O 3.28Å; C335-C340 PolarHBondContact O-N 3.48Å; C335-C340 PolarHBondContact SG-O 2.85Å; C335-P342 HydrophobicContact CB-CG 4.49Å
336	S	96.5	Very high	95.6	Very high	86 Å²	86	31.8 Å²	31.8	60%	0.601	18%	0.183	S	C	*	.	H	α-helix	trans	-62.4	-45.4	176.5	-170.7	0	0	0	0	111.2	A332 N333 G339	A332-S336 WeakPolarHBondContact O-CB 3.45Å; A332-S336 PolarHBondContact O-N 2.91Å; N333-S336 PolarHBondContact O-N 2.93Å; S336-G339 PolarHBondContact O-N 3.25Å
337	F	96.9	Very high	95.5	Very high	25 Å²	25	31.8 Å²	31.8	11%	0.11	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-46.9	-178.3	-176.2	-90.5	0	0	0	113.4	V293 A298 N333 A334 G339 V368 T371 I376 V408 P409 V411	V293-F337 HydrophobicContact CB-CE2 3.93Å; V293-F337 HydrophobicContact CB-CZ 4.5Å; V293-F337 HydrophobicContact CG1-CE2 4.17Å; V293-F337 HydrophobicContact CG2-CE2 4.31Å; A298-F337 HydrophobicContact CB-CD2 3.6Å; A298-F337 HydrophobicContact CB-CE2 3.75Å; N333-F337 VanDerWaalsContact O-CB 3.27Å; N333-F337 WeakPolarHBondContact O-CB 3.48Å; N333-F337 PolarHBondContact O-N 3.05Å; A334-F337 PolarHBondContact O-N 2.92Å; F337-G339 VanDerWaalsContact C-N 3.31Å; F337-V368 HydrophobicContact CB-CG2 3.87Å; F337-V368 HydrophobicContact CD1-CG1 4.35Å; F337-V368 HydrophobicContact CD1-CG2 4.43Å; F337-V368 HydrophobicContact CD2-CB 4.28Å; F337-V368 HydrophobicContact CD2-CG1 4.35Å; F337-V368 HydrophobicContact CD2-CG2 3.92Å; F337-V368 HydrophobicContact CE1-CG1 4.3Å; F337-V368 HydrophobicContact CE2-CB 4.5Å; F337-V368 HydrophobicContact CE2-CG1 4.27Å; F337-V368 HydrophobicContact CG-CB 4.5Å; F337-V368 HydrophobicContact CG-CG1 4.38Å; F337-V368 HydrophobicContact CG-CG2 3.81Å; F337-V368 HydrophobicContact CZ-CG1 4.25Å; F337-T371 HydrophobicContact CD1-CG2 4.47Å; F337-T371 HydrophobicContact CE1-CG2 3.52Å; F337-T371 HydrophobicContact CZ-CG2 3.78Å; F337-I376 HydrophobicContact CD1-CD1 4.18Å; F337-I376 HydrophobicContact CD1-CG1 4.39Å; F337-I376 HydrophobicContact CD1-CG2 4.37Å; F337-V408 HydrophobicContact CE1-CB 4.22Å; F337-V408 HydrophobicContact CE1-CG2 4.32Å; F337-P409 VanDerWaalsContact CE1-O 3.31Å; F337-P409 WeakPolarHBondContact CE1-O 3.35Å; F337-P409 HydrophobicContact CZ-CB 4.3Å; F337-P409 VanDerWaalsContact CZ-O 3.31Å; F337-P409 WeakPolarHBondContact CZ-O 3.44Å; F337-V411 HydrophobicContact CE2-CB 4.39Å; F337-V411 HydrophobicContact CZ-CB 4.13Å
338	G	94.4	Very high	95.3	Very high	7 Å²	7	30.9 Å²	30.9	7%	0.072	18%	0.18	C	C	.	.	H	α-helix	trans	-78.4	-13.5	179	0	0	0	0	0	114.2	A334 C340 R406	A334-G338 PolarHBondContact O-N 3.31Å; G338-C340 PolarHBondContact O-N 3.26Å; G338-R406 PolarHBondContact O-NE 3.35Å; G338-R406 PolarHBondContact O-NH2 2.72Å
339	G	93.6	Very high	95.1	Very high	54 Å²	54	29.9 Å²	29.9	56%	0.557	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	19.8	-174.2	0	0	0	0	0	113.8	C335 S336 F337 R406	C335-G339 WeakPolarHBondContact O-CA 3.4Å; C335-G339 PolarHBondContact O-N 2.98Å; S336-G339 PolarHBondContact O-N 3.25Å; F337-G339 VanDerWaalsContact C-N 3.31Å; G339-R406 PolarHBondContact O-NH2 2.8Å
340	C	92.1	Very high	94.9	Very high	22 Å²	22	28.7 Å²	28.7	15%	0.149	17%	0.17	C	C	.	.	S	Bend	trans	-148.5	173	-179	63.9	0	0	0	0	109.4	C335 G338 P342 S404	C335-C340 WeakPolarHBondContact CA-O 3.28Å; C335-C340 PolarHBondContact O-N 3.48Å; C335-C340 PolarHBondContact SG-O 2.85Å; G338-C340 PolarHBondContact O-N 3.26Å; C340-P342 VanDerWaalsContact O-CD 3.23Å; C340-P342 WeakPolarHBondContact O-CD 3.4Å; C340-S404 PolarHBondContact SG-OG 2.84Å
341	R	91.3	Very high	94.5	Very high	141 Å²	141	32.9 Å²	32.9	53%	0.532	19%	0.192	S	C	.	.			trans	-85.7	114	-178.7	-62.8	-178.6	-175.6	111.1	5	109.5	H115 W331	H115-R341 PolarHBondContact CD2-NE 3.05Å; H115-R341 PolarHBondContact CE1-NH2 3Å; H115-R341 PolarHBondContact ND1-NH2 3.07Å; H115-R341 PolarHBondContact NE2-NE 3.09Å; H115-R341 PolarHBondContact NE2-NH2 3.3Å; H115-R341 VanDerWaalsContact NE2-NH2 3.11Å; W331-R341 HydrophobicContact CZ2-CB 4.43Å
342	P	94.1	Very high	94.2	Very high	9 Å²	9	30.6 Å²	30.6	6%	0.058	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-81	148.5	177.5	30.1	-30.6	0	0	0	111.6	W331 A334 C335 C340 F402 A403	W331-P342 PolarHBondContact NE1-O 3.31Å; A334-P342 HydrophobicContact CB-CB 4.43Å; A334-P342 HydrophobicContact CB-CG 3.78Å; C335-P342 HydrophobicContact CB-CG 4.49Å; C340-P342 VanDerWaalsContact O-CD 3.23Å; C340-P342 WeakPolarHBondContact O-CD 3.4Å; P342-F402 HydrophobicContact CB-CB 3.84Å; P342-F402 HydrophobicContact CB-CD1 4.21Å; P342-F402 HydrophobicContact CB-CG 4.26Å; P342-F402 HydrophobicContact CG-CB 4.48Å; P342-F402 HydrophobicContact CG-CD1 4.31Å; P342-F402 HydrophobicContact CG-CG 4.45Å; P342-A403 CarbonylContact C-O 3.52Å; P342-A403 WeakPolarHBondContact CA-O 3.14Å
343	S	93	Very high	93.7	Very high	40 Å²	40	33.6 Å²	33.6	28%	0.28	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.8	163.5	60.4	0	0	0	0	110.4	F402 A403	S343-F402 WeakPolarHBondContact O-CA 3.45Å; S343-A403 PolarHBondContact N-O 2.75Å; S343-A403 PolarHBondContact O-N 3.07Å; S343-A403 PolarHBondContact OG-O 3.17Å
344	L	94.8	Very high	93	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.058	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133	172	178.6	64.8	0	0	0	110.2	F120 M161 H164 Y327 A346 V347 F402	F120-L344 HydrophobicContact CD1-CD2 3.36Å; F120-L344 HydrophobicContact CD2-CD2 4.08Å; F120-L344 HydrophobicContact CE1-CD2 3.18Å; F120-L344 HydrophobicContact CE2-CD2 3.94Å; F120-L344 HydrophobicContact CG-CD2 3.8Å; F120-L344 HydrophobicContact CZ-CD2 3.49Å; F120-L344 VanDerWaalsContact CZ-CD2 3.49Å; M161-L344 HydrophobicContact CG-CD2 4.12Å; M161-L344 HydrophobicContact CG-CG 4.07Å; M161-L344 HydrophobicContact SD-CD2 4.11Å; H164-L344 PolarHBondContact CD2-O 3.32Å; Y327-L344 HydrophobicContact CE2-CB 4.43Å; Y327-L344 HydrophobicContact CE2-CD1 4.01Å; Y327-L344 HydrophobicContact CE2-CD2 3.87Å; Y327-L344 HydrophobicContact CE2-CG 4.33Å; L344-A346 WeakPolarHBondContact CD1-O 3.41Å; L344-V347 HydrophobicContact CD1-CG2 4.17Å; L344-V347 HydrophobicContact CD2-CG2 3.98Å; L344-F402 HydrophobicContact CB-CD1 4.49Å; L344-F402 HydrophobicContact CB-CE1 4.34Å; L344-F402 HydrophobicContact CD1-CD1 4.29Å; L344-F402 HydrophobicContact CD1-CE1 3.91Å; L344-F402 HydrophobicContact CD1-CZ 4.46Å
345	V	94.3	Very high	92.3	Very high	15 Å²	15	42.3 Å²	42.3	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-52.1	172.6	179.6	0	0	0	0	109.8	M161 Y375 T401 A403 T432	M161-V345 WeakPolarHBondContact CB-O 3.33Å; M161-V345 WeakPolarHBondContact CG-O 3.28Å; M161-V345 PolarHBondContact N-O 3.31Å; M161-V345 VanDerWaalsContact N-O 3.13Å; V345-Y375 HydrophobicContact CG2-CD1 4.27Å; V345-Y375 HydrophobicContact CG2-CE1 4.14Å; V345-T401 HydrophobicContact CB-CG2 4.09Å; V345-T401 WeakPolarHBondContact CB-O 3.05Å; V345-T401 HydrophobicContact CG1-CG2 4.37Å; V345-T401 PolarHBondContact N-O 3.08Å; V345-A403 HydrophobicContact CG2-CB 3.6Å; V345-T432 HydrophobicContact CG1-CG2 3.97Å
346	A	94.3	Very high	91.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	151.3	-179.7	0	0	0	0	0	112.1	I159 D160 L344 T401 T432	I159-A346 WeakPolarHBondContact O-CA 3.25Å; D160-A346 WeakPolarHBondContact OD1-CB 3.43Å; L344-A346 WeakPolarHBondContact CD1-O 3.41Å; A346-T401 PolarHBondContact N-O 3.31Å; A346-T401 PolarHBondContact O-N 3.09Å; A346-T432 HydrophobicContact CB-CG2 3.5Å
347	V	95.3	Very high	91.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.1	162.6	-176.1	0	0	0	0	106.7	F120 K158 I159 L344 I350 Y400	F120-V347 HydrophobicContact CE1-CG2 3.84Å; F120-V347 HydrophobicContact CZ-CG2 4.41Å; K158-V347 CarbonylContact C-O 3.58Å; K158-V347 VanDerWaalsContact CA-O 3.25Å; K158-V347 WeakPolarHBondContact CA-O 3.41Å; K158-V347 WeakPolarHBondContact CG-O 3.45Å; I159-V347 HydrophobicContact CB-CB 4.25Å; I159-V347 PolarHBondContact N-O 2.8Å; I159-V347 PolarHBondContact O-N 2.95Å; L344-V347 HydrophobicContact CD1-CG2 4.17Å; L344-V347 HydrophobicContact CD2-CG2 3.98Å; V347-I350 HydrophobicContact CG1-CD1 3.73Å; V347-I350 HydrophobicContact CG1-CG1 4.24Å; V347-Y400 HydrophobicContact CB-CD1 4.29Å; V347-Y400 HydrophobicContact CB-CE1 4.34Å; V347-Y400 HydrophobicContact CG1-CD1 3.98Å; V347-Y400 HydrophobicContact CG1-CE1 3.64Å; V347-Y400 HydrophobicContact CG2-CD1 3.96Å; V347-Y400 HydrophobicContact CG2-CE1 4.01Å
348	D	93.8	Very high	90.8	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.011	22%	0.221	C	C	.	.			trans	-79.4	176.4	-179.3	-137.5	-33.4	0	0	0	113.1	I350 H399 H428	D348-I350 WeakPolarHBondContact O-CG1 3.41Å; D348-I350 PolarHBondContact O-N 3.01Å; D348-H399 HydrophobicContact CB-CB 3.7Å; D348-H399 PolarHBondContact N-O 3.12Å; D348-H428 WeakPolarHBondContact OD2-CB 3.41Å; D348-H428 IonicContact OD2-CE1 3.31Å; D348-H428 IonicContact OD2-CG 3.06Å; D348-H428 VanDerWaalsContact OD2-CG 3.31Å; D348-H428 IonicContact OD2-ND1 3.6Å; D348-H428 PolarHBondContact OD2-ND1 3.09Å
349	D	91.4	Very high	90.3	Very high	35 Å²	35	43.6 Å²	43.6	19%	0.187	24%	0.244	C	C	.	.			trans	-52.9	123.6	178.2	-66.4	-44.7	0	0	0	111.2	V156 D157 K158 R246 L250	V156-D349 CarbonylContact O-C 3.52Å; V156-D349 VanDerWaalsContact O-CA 3.32Å; V156-D349 WeakPolarHBondContact O-CA 3.12Å; D157-D349 WeakPolarHBondContact CA-OD1 3.46Å; K158-D349 PolarHBondContact N-OD1 3.3Å; R246-D349 IonicContact CZ-OD1 3.16Å; R246-D349 IonicContact CZ-OD2 2.7Å; R246-D349 IonicContact NH1-OD1 2.66Å; R246-D349 IonicContact NH1-OD2 3.7Å; R246-D349 PolarHBondContact NH1-OD2 3.35Å; R246-D349 IonicContact NH2-OD1 2.72Å; R246-D349 PolarHBondContact NH2-OD1 2.82Å; R246-D349 IonicContact NH2-OD2 3.03Å; L250-D349 VanDerWaalsContact CD1-OD2 3.26Å; L250-D349 WeakPolarHBondContact CD1-OD2 3.47Å
350	I	93.1	Very high	90	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.4	179.3	-57.8	170.2	0	0	0	109.2	L155 V156 M323 V347 D348 F352 F398	L155-I350 CarbonylContact C-O 3.58Å; L155-I350 WeakPolarHBondContact CA-O 3.33Å; V156-I350 HydrophobicContact CB-CB 4.18Å; V156-I350 PolarHBondContact N-O 3.45Å; V156-I350 PolarHBondContact O-N 3.01Å; M323-I350 HydrophobicContact CG-CD1 3.94Å; M323-I350 HydrophobicContact SD-CD1 3.73Å; V347-I350 HydrophobicContact CG1-CD1 3.73Å; V347-I350 HydrophobicContact CG1-CG1 4.24Å; D348-I350 WeakPolarHBondContact O-CG1 3.41Å; D348-I350 PolarHBondContact O-N 3.01Å; I350-F352 HydrophobicContact CG2-CD2 4.32Å; I350-F352 HydrophobicContact CG2-CE2 3.84Å; I350-F352 HydrophobicContact CG2-CZ 4.09Å; I350-F398 HydrophobicContact CB-CD1 4.46Å; I350-F398 HydrophobicContact CD1-CD1 3.71Å; I350-F398 HydrophobicContact CD1-CE1 4.04Å; I350-F398 HydrophobicContact CG1-CD1 3.85Å; I350-F398 HydrophobicContact CG1-CE1 4.34Å; I350-F398 HydrophobicContact CG2-CD1 3.77Å; I350-F398 HydrophobicContact CG2-CE1 3.51Å; I350-F398 HydrophobicContact CG2-CZ 4.44Å
351	L	90.9	Very high	90	Very high	88 Å²	88	43.1 Å²	43.1	46%	0.461	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.5	173.4	-178.9	66.8	0	0	0	111.4	L155 Q353 N396	L155-L351 HydrophobicContact CB-CD1 4.35Å; L155-L351 HydrophobicContact CD1-CD1 4.2Å; L351-Q353 HydrophobicContact CD2-CG 4.17Å; L351-Q353 HydrophobicContact CG-CG 4.22Å; L351-Q353 PolarHBondContact O-N 2.89Å; L351-N396 PolarHBondContact O-ND2 2.87Å
352	F	89.8	Confident	90.1	Very high	32 Å²	32	36.4 Å²	36.4	14%	0.14	20%	0.204	C	C	.	.			trans	-89	96.1	172.5	-66.6	-92.4	0	0	0	110.5	T153 A154 V156 L322 M323 I350 N396	T153-F352 HydrophobicContact CG2-CD2 3.97Å; T153-F352 HydrophobicContact CG2-CE2 3.69Å; T153-F352 HydrophobicContact CG2-CZ 4.49Å; A154-F352 PolarHBondContact O-N 3.31Å; V156-F352 HydrophobicContact CG2-CE2 4.06Å; L322-F352 HydrophobicContact CB-CE1 4.36Å; L322-F352 HydrophobicContact CD1-CD1 4.34Å; L322-F352 HydrophobicContact CD1-CE1 4.08Å; M323-F352 HydrophobicContact CE-CZ 4.26Å; M323-F352 HydrophobicContact CG-CZ 3.96Å; M323-F352 HydrophobicContact SD-CZ 4.14Å; I350-F352 HydrophobicContact CG2-CD2 4.32Å; I350-F352 HydrophobicContact CG2-CE2 3.84Å; I350-F352 HydrophobicContact CG2-CZ 4.09Å; F352-N396 VanDerWaalsContact CA-ND2 3.32Å; F352-N396 WeakPolarHBondContact CA-ND2 3.22Å; F352-N396 WeakPolarHBondContact CD1-ND2 3.25Å; F352-N396 WeakPolarHBondContact CE1-ND2 3.4Å; F352-N396 VanDerWaalsContact CG-ND2 3.32Å; F352-N396 WeakPolarHBondContact CG-ND2 3.33Å
353	Q	86.9	Confident	90.2	Very high	100 Å²	100	38.7 Å²	38.7	47%	0.467	22%	0.215	S	C	.	.			trans	-76.2	-39.6	-173.5	-59.4	-176.9	1.6	0	0	112.4	L351 T395	L351-Q353 HydrophobicContact CD2-CG 4.17Å; L351-Q353 HydrophobicContact CG-CG 4.22Å; L351-Q353 PolarHBondContact O-N 2.89Å; Q353-T395 WeakPolarHBondContact CB-O 3.4Å; Q353-T395 PolarHBondContact N-O 2.75Å
354	K	83.6	Confident	90.4	Very high	111 Å²	111	37 Å²	37	48%	0.483	20%	0.203	S	C	.	.	S	Bend	trans	-142.4	143.6	-175.7	-71	179.8	-179.2	-174.5	0	111.7	S393	K354-S393 WeakPolarHBondContact CD-OG 3.49Å; K354-S393 WeakPolarHBondContact CE-OG 3.36Å; K354-S393 PolarHBondContact NZ-OG 2.75Å
355	P	83	Confident	90.5	Very high	76 Å²	76	38.2 Å²	38.2	49%	0.494	21%	0.212	S	C	.	.			trans	-65.7	150.3	173.3	28.4	-33.2	0	0	0	111
356	V	85.5	Confident	90.7	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.024	21%	0.208	C	C	.	.			trans	-110.5	124.3	174.5	179.1	0	0	0	0	109	I317 L322 V384 T395	I317-V356 HydrophobicContact CB-CB 3.94Å; I317-V356 HydrophobicContact CB-CG1 3.94Å; I317-V356 HydrophobicContact CG1-CB 4.32Å; I317-V356 HydrophobicContact CG1-CG1 3.81Å; I317-V356 HydrophobicContact CG2-CG1 4.47Å; I317-V356 PolarHBondContact N-O 3.41Å; L322-V356 HydrophobicContact CD1-CG2 4.12Å; L322-V356 HydrophobicContact CD2-CG2 4.24Å; V356-V384 HydrophobicContact CB-CG2 4.25Å; V356-V384 HydrophobicContact CG1-CG2 3.72Å; V356-V384 HydrophobicContact CG2-CG2 3.78Å; V356-T395 HydrophobicContact CG2-CG2 3.42Å; V356-T395 VanDerWaalsContact CG2-CG2 3.42Å
357	E	85.1	Confident	90.9	Very high	83 Å²	83	39 Å²	39	39%	0.388	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-87.9	157.4	-177.4	-60.6	-62.1	161.4	0	0	111.2	R316 S360	R316-E357 IonicContact CZ-OE1 3.57Å; R316-E357 IonicContact NE-OE1 3.6Å; R316-E357 PolarHBondContact NE-OE1 3.04Å; R316-E357 IonicContact NE-OE2 2.86Å; R316-E357 IonicContact NH2-OE1 2.81Å; E357-S360 VanDerWaalsContact O-CB 3.26Å; E357-S360 WeakPolarHBondContact O-CB 3.45Å; E357-S360 PolarHBondContact O-N 3.09Å; E357-S360 PolarHBondContact O-OG 3.05Å
358	I	85.9	Confident	91	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.185	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	139.4	173.6	-62.2	168.5	0	0	0	108.6	W61 P308 R311 N315 I317 S360	W61-I358 HydrophobicContact CE3-CD1 4.4Å; W61-I358 HydrophobicContact CH2-CB 4.39Å; W61-I358 HydrophobicContact CH2-CD1 3.73Å; W61-I358 HydrophobicContact CH2-CG2 4.15Å; W61-I358 HydrophobicContact CZ3-CD1 3.39Å; P308-I358 HydrophobicContact CG-CG2 3.99Å; R311-I358 HydrophobicContact CB-CD1 3.66Å; R311-I358 HydrophobicContact CB-CG1 4.34Å; N315-I358 HydrophobicContact CB-CD1 4.34Å; N315-I358 WeakPolarHBondContact O-CD1 3.44Å; I317-I358 HydrophobicContact CD1-CG1 4.35Å; I358-S360 VanDerWaalsContact C-N 3.3Å
359	G	84.8	Confident	91.2	Very high	54 Å²	54	38.8 Å²	38.8	56%	0.557	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	-10.7	-174.9	0	0	0	0	0	113.8	C306	C306-G359 PolarHBondContact O-N 3.21Å
360	S	87.3	Confident	91.5	Very high	25 Å²	25	37.7 Å²	37.7	18%	0.175	21%	0.207	C	C	.	.			trans	-64.9	146.4	175.8	-67.3	0	0	0	0	112.7	C306 E357 I358	C306-S360 VanDerWaalsContact CB-O 3.26Å; C306-S360 WeakPolarHBondContact CB-O 3.29Å; C306-S360 PolarHBondContact N-O 3.23Å; C306-S360 VanDerWaalsContact N-O 3.08Å; C306-S360 PolarHBondContact SG-O 2.93Å; C306-S360 VanDerWaalsContact SG-O 3.33Å; E357-S360 VanDerWaalsContact O-CB 3.26Å; E357-S360 WeakPolarHBondContact O-CB 3.45Å; E357-S360 PolarHBondContact O-N 3.09Å; E357-S360 PolarHBondContact O-OG 3.05Å; I358-S360 VanDerWaalsContact C-N 3.3Å
361	L	92.1	Very high	91.7	Very high	41 Å²	41	38.1 Å²	38.1	22%	0.215	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	106.6	170.6	-60.5	177.4	0	0	0	108.5	L303 I305 V384 F385 P387	L303-L361 HydrophobicContact CD1-CB 4.22Å; I305-L361 HydrophobicContact CG1-CD2 3.94Å; L361-V384 WeakPolarHBondContact O-CA 3.19Å; L361-F385 HydrophobicContact CB-CB 4.33Å; L361-F385 HydrophobicContact CD1-CD1 3.8Å; L361-F385 HydrophobicContact CD1-CE1 4.36Å; L361-F385 PolarHBondContact O-N 3.15Å; L361-P387 HydrophobicContact CD1-CB 4.33Å; L361-P387 HydrophobicContact CD1-CG 4.22Å
362	L	93.4	Very high	91.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	110.2	179.6	-177.6	72.2	0	0	0	109.4	L303 E304 L322 L364 S382 V384	L303-L362 WeakPolarHBondContact CA-O 3.35Å; E304-L362 HydrophobicContact CB-CB 4.28Å; E304-L362 HydrophobicContact CB-CD2 4.36Å; E304-L362 PolarHBondContact N-O 2.75Å; E304-L362 WeakPolarHBondContact O-CB 3.13Å; E304-L362 PolarHBondContact O-N 2.87Å; L322-L362 HydrophobicContact CD2-CD1 3.65Å; L322-L362 HydrophobicContact CD2-CD2 3.62Å; L322-L362 HydrophobicContact CD2-CG 4.29Å; L362-L364 HydrophobicContact CD2-CD1 4.41Å; L362-L364 HydrophobicContact CD2-CG 4.48Å; L362-L364 HydrophobicContact CG-CG 4.4Å; L362-S382 VanDerWaalsContact CD1-OG 3.25Å; L362-S382 WeakPolarHBondContact CD1-OG 3.16Å; L362-V384 HydrophobicContact CD1-CG2 4.36Å
363	M	95.4	Very high	92.2	Very high	58 Å²	58	38.7 Å²	38.7	29%	0.286	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.8	174.1	-55.9	-139.8	-57.5	0	0	110.1	L303 S382 E383 F385	L303-M363 HydrophobicContact CD1-CG 3.89Å; L303-M363 HydrophobicContact CD1-SD 4.44Å; M363-S382 WeakPolarHBondContact O-CA 3.47Å; M363-E383 HydrophobicContact CB-CG 3.92Å; M363-E383 WeakPolarHBondContact CE-OE1 3.08Å; M363-E383 PolarHBondContact N-O 3.33Å; M363-E383 PolarHBondContact O-N 2.86Å; M363-F385 HydrophobicContact CG-CB 4.41Å
364	L	97.1	Very high	92.6	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.9	178.6	-65.6	164.8	0	0	0	108.5	K301 G302 K325 A326 L329 L362 V380 H381 S382	K301-L364 CarbonylContact C-O 3.51Å; K301-L364 VanDerWaalsContact CA-O 3.3Å; K301-L364 WeakPolarHBondContact CA-O 2.98Å; G302-L364 PolarHBondContact N-O 3.19Å; G302-L364 PolarHBondContact O-N 2.93Å; K325-L364 HydrophobicContact CB-CD1 3.79Å; A326-L364 HydrophobicContact CB-CD2 4.43Å; L329-L364 HydrophobicContact CD2-CB 3.47Å; L329-L364 VanDerWaalsContact CD2-CB 3.47Å; L362-L364 HydrophobicContact CD2-CD1 4.41Å; L362-L364 HydrophobicContact CD2-CG 4.48Å; L362-L364 HydrophobicContact CG-CG 4.4Å; L364-V380 HydrophobicContact CD2-CG1 4.35Å; L364-H381 CarbonylContact C-O 3.53Å; L364-H381 WeakPolarHBondContact CA-O 3.36Å; L364-S382 WeakPolarHBondContact CD2-OG 3.46Å
365	S	97.8	Very high	93.3	Very high	35 Å²	35	35.8 Å²	35.8	25%	0.245	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	107.5	177.1	-66.5	0	0	0	0	109.5	V380 H381	S365-V380 CarbonylContact O-C 3.6Å; S365-V380 WeakPolarHBondContact O-CA 3.44Å; S365-H381 PolarHBondContact N-O 2.81Å; S365-H381 PolarHBondContact O-N 2.84Å
366	S	98.3	Very high	94	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135.4	175.3	173.4	0	0	0	0	110.8	K299 L300 N333 V378 R379	K299-S366 CarbonylContact C-O 3.53Å; K299-S366 VanDerWaalsContact CA-O 3.28Å; K299-S366 WeakPolarHBondContact CA-O 3.45Å; L300-S366 PolarHBondContact N-O 3.13Å; L300-S366 WeakPolarHBondContact O-CA 3.26Å; L300-S366 PolarHBondContact O-N 2.91Å; N333-S366 WeakPolarHBondContact CB-OG 3.37Å; N333-S366 PolarHBondContact ND2-O 3.44Å; N333-S366 PolarHBondContact ND2-OG 3.43Å; N333-S366 VanDerWaalsContact ND2-OG 3.08Å; S366-V378 VanDerWaalsContact OG-CG1 3.28Å; S366-V378 WeakPolarHBondContact OG-CG1 3.44Å; S366-R379 CarbonylContact C-O 3.59Å; S366-R379 WeakPolarHBondContact CA-O 3.48Å
367	Q	98.1	Very high	94.6	Very high	29 Å²	29	32 Å²	32	14%	0.136	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	125.2	-177.4	-178.7	59.3	65.4	0	0	109.2	M295 A298 C369 V378 R379	M295-Q367 HydrophobicContact CG-CG 4.21Å; M295-Q367 PolarHBondContact O-NE2 3.31Å; M295-Q367 HydrophobicContact SD-CG 4.45Å; A298-Q367 PolarHBondContact O-NE2 3.48Å; Q367-C369 PolarHBondContact O-N 2.94Å; Q367-V378 WeakPolarHBondContact O-CA 3.33Å; Q367-R379 PolarHBondContact N-O 3.35Å; Q367-R379 PolarHBondContact O-N 2.98Å
368	V	98.3	Very high	95.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	117.6	165	180	0	0	0	0	106.7	A298 N333 F337 T371 I376 V378 V411	A298-V368 HydrophobicContact CB-CB 3.85Å; A298-V368 HydrophobicContact CB-CG2 4.13Å; A298-V368 PolarHBondContact O-N 3.39Å; N333-V368 PolarHBondContact ND2-N 2.94Å; F337-V368 HydrophobicContact CB-CG2 3.87Å; F337-V368 HydrophobicContact CD1-CG1 4.35Å; F337-V368 HydrophobicContact CD1-CG2 4.43Å; F337-V368 HydrophobicContact CD2-CB 4.28Å; F337-V368 HydrophobicContact CD2-CG1 4.35Å; F337-V368 HydrophobicContact CD2-CG2 3.92Å; F337-V368 HydrophobicContact CE1-CG1 4.3Å; F337-V368 HydrophobicContact CE2-CB 4.5Å; F337-V368 HydrophobicContact CE2-CG1 4.27Å; F337-V368 HydrophobicContact CG-CB 4.5Å; F337-V368 HydrophobicContact CG-CG1 4.38Å; F337-V368 HydrophobicContact CG-CG2 3.81Å; F337-V368 HydrophobicContact CZ-CG1 4.25Å; V368-T371 HydrophobicContact CG1-CG2 3.81Å; V368-I376 HydrophobicContact CB-CG2 4.46Å; V368-I376 HydrophobicContact CG1-CG2 3.64Å; V368-I376 HydrophobicContact CG2-CG2 4.07Å; V368-V378 HydrophobicContact CG2-CG2 4.25Å; V368-V411 HydrophobicContact CG1-CB 4.24Å; V368-V411 HydrophobicContact CG1-CG1 4.3Å; V368-V411 HydrophobicContact CG1-CG2 4.42Å
369	C	97.1	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-28.8	-173.8	56.1	0	0	0	0	112.8	M295 Q367 Q377 R379 L421 Y422 G425	M295-C369 VanDerWaalsContact CE-O 3.23Å; M295-C369 WeakPolarHBondContact CE-O 3.48Å; Q367-C369 PolarHBondContact O-N 2.94Å; C369-Q377 PolarHBondContact N-O 3Å; C369-Q377 VanDerWaalsContact SG-CG 3.57Å; C369-Q377 PolarHBondContact SG-O 3.44Å; C369-R379 HydrophobicContact CB-CB 4.48Å; C369-L421 WeakPolarHBondContact CB-O 3.43Å; C369-Y422 WeakPolarHBondContact O-CA 3.38Å; C369-Y422 WeakPolarHBondContact O-CD2 3.38Å; C369-G425 VanDerWaalsContact SG-CA 3.58Å
370	Y	97.9	Very high	96.4	Very high	12 Å²	12	25.9 Å²	25.9	5%	0.047	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	151.4	177.7	-177.4	-99	0	0	0	111.1	Q372 Q377 Y422 K426 F429	Y370-Q372 HydrophobicContact CE1-CB 3.72Å; Y370-Q372 PolarHBondContact OH-OE1 3.21Å; Y370-Q377 PolarHBondContact N-O 3.25Å; Y370-Q377 PolarHBondContact O-N 2.75Å; Y370-Y422 HydrophobicContact CD2-CD1 4.27Å; Y370-Y422 HydrophobicContact CD2-CD2 4.15Å; Y370-Y422 AromaticContact CD2-CE1 3.76Å; Y370-Y422 HydrophobicContact CD2-CE1 3.76Å; Y370-Y422 AromaticContact CD2-CE2 3.64Å; Y370-Y422 HydrophobicContact CD2-CE2 3.64Å; Y370-Y422 HydrophobicContact CD2-CG 4.45Å; Y370-Y422 AromaticContact CD2-CZ 3.42Å; Y370-Y422 VanDerWaalsContact CD2-CZ 3.42Å; Y370-Y422 AromaticContact CE2-CE1 3.79Å; Y370-Y422 HydrophobicContact CE2-CE1 3.79Å; Y370-Y422 HydrophobicContact CE2-CE2 4.15Å; Y370-Y422 AromaticContact CE2-CZ 3.49Å; Y370-Y422 VanDerWaalsContact CE2-CZ 3.49Å; Y370-Y422 VanDerWaalsContact CE2-OH 3.29Å; Y370-Y422 WeakPolarHBondContact CE2-OH 3.44Å; Y370-K426 HydrophobicContact CD2-CB 3.7Å; Y370-K426 HydrophobicContact CD2-CG 4.16Å; Y370-K426 HydrophobicContact CE1-CG 4.42Å; Y370-K426 HydrophobicContact CE2-CB 3.76Å; Y370-K426 HydrophobicContact CE2-CD 3.83Å; Y370-K426 HydrophobicContact CE2-CG 3.68Å; Y370-K426 HydrophobicContact CG-CB 4.16Å; Y370-F429 HydrophobicContact CD1-CB 3.85Å; Y370-F429 AromaticContact CD1-CD1 3.94Å; Y370-F429 HydrophobicContact CD1-CD1 3.94Å; Y370-F429 HydrophobicContact CD1-CD2 4.45Å; Y370-F429 AromaticContact CD1-CG 3.8Å; Y370-F429 HydrophobicContact CD1-CG 3.8Å; Y370-F429 HydrophobicContact CE1-CB 4.17Å; Y370-F429 AromaticContact CE1-CD1 3.41Å; Y370-F429 HydrophobicContact CE1-CD1 3.41Å; Y370-F429 VanDerWaalsContact CE1-CD1 3.41Å; Y370-F429 AromaticContact CE1-CE1 3.85Å; Y370-F429 HydrophobicContact CE1-CE1 3.85Å; Y370-F429 AromaticContact CE1-CG 3.79Å; Y370-F429 HydrophobicContact CE1-CG 3.79Å
371	T	97.5	Very high	96.8	Very high	9 Å²	9	26.4 Å²	26.4	6%	0.055	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	137.8	-180	53.5	0	0	0	0	109.8	F337 V368 Y375 V408 S410 V411	F337-T371 HydrophobicContact CD1-CG2 4.47Å; F337-T371 HydrophobicContact CE1-CG2 3.52Å; F337-T371 HydrophobicContact CZ-CG2 3.78Å; V368-T371 HydrophobicContact CG1-CG2 3.81Å; T371-Y375 WeakPolarHBondContact CA-O 3.45Å; T371-V408 HydrophobicContact CG2-CG2 4.2Å; T371-S410 WeakPolarHBondContact OG1-CA 3.4Å; T371-V411 HydrophobicContact CG2-CB 4.02Å; T371-V411 HydrophobicContact CG2-CG1 3.86Å; T371-V411 PolarHBondContact OG1-N 2.9Å
372	Q	96.1	Very high	97	Very high	91 Å²	91	24.5 Å²	24.5	43%	0.425	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	116.9	174.4	-178.7	172.2	-26.2	0	0	111	Y370 K374 Y375 F429	Y370-Q372 HydrophobicContact CE1-CB 3.72Å; Y370-Q372 PolarHBondContact OH-OE1 3.21Å; Q372-K374 PolarHBondContact O-N 3.34Å; Q372-K374 VanDerWaalsContact O-N 3.08Å; Q372-Y375 PolarHBondContact N-O 3.42Å; Q372-Y375 VanDerWaalsContact N-O 3.07Å; Q372-Y375 PolarHBondContact O-N 3.06Å; Q372-F429 HydrophobicContact CB-CE1 3.99Å; Q372-F429 HydrophobicContact CB-CZ 4.01Å; Q372-F429 HydrophobicContact CG-CE1 4.33Å; Q372-F429 VanDerWaalsContact OE1-CE1 3.3Å
373	G	95.3	Very high	97	Very high	42 Å²	42	25.9 Å²	25.9	43%	0.433	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-111.6	-177	0	0	0	0	0	111.2	N407 V408	G373-N407 VanDerWaalsContact C-OD1 3.3Å; G373-N407 VanDerWaalsContact O-CA 3.29Å; G373-N407 WeakPolarHBondContact O-CA 3.17Å; G373-V408 WeakPolarHBondContact O-CG2 3.21Å; G373-V408 PolarHBondContact O-N 3.03Å
374	K	95.4	Very high	96.9	Very high	91 Å²	91	24.1 Å²	24.1	40%	0.396	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.5	176.7	69.1	175.5	-179.1	173.8	0	114.5	Q372 S404 R406	Q372-K374 PolarHBondContact O-N 3.34Å; Q372-K374 VanDerWaalsContact O-N 3.08Å; K374-S404 WeakPolarHBondContact CB-O 3.26Å; K374-S404 WeakPolarHBondContact O-CB 3.26Å; K374-S404 PolarHBondContact O-N 2.81Å; K374-R406 WeakPolarHBondContact CB-O 3.46Å
375	Y	97.2	Very high	96.6	Very high	59 Å²	59	26.1 Å²	26.1	23%	0.231	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	142.8	-174	-59.3	-76.3	0	0	0	112.3	V345 T371 Q372 F402 A403 F429 L433	V345-Y375 HydrophobicContact CG2-CD1 4.27Å; V345-Y375 HydrophobicContact CG2-CE1 4.14Å; T371-Y375 WeakPolarHBondContact CA-O 3.45Å; Q372-Y375 PolarHBondContact N-O 3.42Å; Q372-Y375 VanDerWaalsContact N-O 3.07Å; Q372-Y375 PolarHBondContact O-N 3.06Å; Y375-F402 CarbonylContact C-O 3.58Å; Y375-F402 VanDerWaalsContact CA-O 3.28Å; Y375-F402 WeakPolarHBondContact CA-O 3.48Å; Y375-A403 HydrophobicContact CD1-CB 3.85Å; Y375-A403 HydrophobicContact CE1-CB 3.82Å; Y375-F429 HydrophobicContact CD1-CE2 4.41Å; Y375-F429 HydrophobicContact CD2-CE2 4Å; Y375-F429 AromaticContact CD2-CZ 3.83Å; Y375-F429 HydrophobicContact CD2-CZ 3.83Å; Y375-F429 AromaticContact CG-CE2 3.7Å; Y375-F429 HydrophobicContact CG-CE2 3.7Å; Y375-F429 HydrophobicContact CG-CZ 4.02Å; Y375-L433 HydrophobicContact CE2-CD2 4.46Å
376	I	97.9	Very high	96	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.9	178.3	-51.1	169	0	0	0	107.7	A334 F337 V368 V378 F402 V408	A334-I376 HydrophobicContact CB-CD1 4.11Å; A334-I376 HydrophobicContact CB-CG2 4.35Å; A334-I376 WeakPolarHBondContact O-CD1 3.46Å; F337-I376 HydrophobicContact CD1-CD1 4.18Å; F337-I376 HydrophobicContact CD1-CG1 4.39Å; F337-I376 HydrophobicContact CD1-CG2 4.37Å; V368-I376 HydrophobicContact CB-CG2 4.46Å; V368-I376 HydrophobicContact CG1-CG2 3.64Å; V368-I376 HydrophobicContact CG2-CG2 4.07Å; I376-V378 HydrophobicContact CG2-CG2 3.79Å; I376-F402 HydrophobicContact CB-CB 4.38Å; I376-F402 PolarHBondContact N-O 2.83Å; I376-F402 PolarHBondContact O-N 2.89Å; I376-V408 HydrophobicContact CD1-CG1 3.95Å; I376-V408 HydrophobicContact CG1-CB 4.33Å; I376-V408 HydrophobicContact CG1-CG1 3.94Å; I376-V408 HydrophobicContact CG1-CG2 3.96Å
377	Q	98	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.2	167.6	-165.5	69.5	17.1	0	0	109.4	C369 Y370 T401	C369-Q377 PolarHBondContact N-O 3Å; C369-Q377 VanDerWaalsContact SG-CG 3.57Å; C369-Q377 PolarHBondContact SG-O 3.44Å; Y370-Q377 PolarHBondContact N-O 3.25Å; Y370-Q377 PolarHBondContact O-N 2.75Å; Q377-T401 PolarHBondContact OE1-OG1 2.84Å
378	V	98.3	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.9	178.2	-177.6	0	0	0	0	110	A334 S366 Q367 V368 I376 V380 H399 Y400 F402	A334-V378 HydrophobicContact CB-CG2 3.97Å; S366-V378 VanDerWaalsContact OG-CG1 3.28Å; S366-V378 WeakPolarHBondContact OG-CG1 3.44Å; Q367-V378 WeakPolarHBondContact O-CA 3.33Å; V368-V378 HydrophobicContact CG2-CG2 4.25Å; I376-V378 HydrophobicContact CG2-CG2 3.79Å; V378-V380 HydrophobicContact CG1-CG2 4.15Å; V378-H399 WeakPolarHBondContact O-CA 3.02Å; V378-Y400 PolarHBondContact N-O 3.46Å; V378-Y400 PolarHBondContact O-N 3.14Å; V378-F402 HydrophobicContact CB-CD2 4.33Å; V378-F402 HydrophobicContact CB-CE2 4.23Å; V378-F402 HydrophobicContact CG2-CD2 3.91Å; V378-F402 HydrophobicContact CG2-CE2 4.18Å
379	R	97.7	Very high	94.1	Very high	43 Å²	43	40.5 Å²	40.5	16%	0.162	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128	170.7	-177.4	179.9	-177.5	-86.5	-0.6	109.4	S366 Q367 C369 I397 F398	S366-R379 CarbonylContact C-O 3.59Å; S366-R379 WeakPolarHBondContact CA-O 3.48Å; Q367-R379 PolarHBondContact N-O 3.35Å; Q367-R379 PolarHBondContact O-N 2.98Å; C369-R379 HydrophobicContact CB-CB 4.48Å; R379-I397 HydrophobicContact CG-CG2 3.97Å; R379-I397 VanDerWaalsContact NH2-CD1 3.26Å; R379-F398 CarbonylContact C-O 3.54Å; R379-F398 WeakPolarHBondContact CA-O 3.26Å
380	V	97.9	Very high	93.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.8	172.7	-171.5	0	0	0	0	108.9	A326 L329 L364 S365 V378 F398 Y400	A326-V380 HydrophobicContact CB-CB 4.41Å; A326-V380 HydrophobicContact CB-CG1 4.05Å; L329-V380 HydrophobicContact CD2-CG1 4.22Å; L364-V380 HydrophobicContact CD2-CG1 4.35Å; S365-V380 CarbonylContact O-C 3.6Å; S365-V380 WeakPolarHBondContact O-CA 3.44Å; V378-V380 HydrophobicContact CG1-CG2 4.15Å; V380-F398 HydrophobicContact CB-CB 4.22Å; V380-F398 HydrophobicContact CB-CD2 4.33Å; V380-F398 PolarHBondContact N-O 3.2Å; V380-F398 WeakPolarHBondContact O-CD2 3.47Å; V380-F398 PolarHBondContact O-N 2.97Å; V380-Y400 HydrophobicContact CB-CE2 4.36Å; V380-Y400 HydrophobicContact CG2-CD2 4.01Å; V380-Y400 HydrophobicContact CG2-CE2 3.84Å
381	H	96.3	Very high	93.2	Very high	37 Å²	37	53.8 Å²	53.8	17%	0.171	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.7	175.3	177.8	-132.3	0	0	0	109.8	L364 S365 E383 T394	L364-H381 CarbonylContact C-O 3.53Å; L364-H381 WeakPolarHBondContact CA-O 3.36Å; S365-H381 PolarHBondContact N-O 2.81Å; S365-H381 PolarHBondContact O-N 2.84Å; H381-E383 IonicContact CE1-OE2 3.53Å; H381-T394 WeakPolarHBondContact NE2-CG2 3.12Å; H381-T394 PolarHBondContact NE2-OG1 3.31Å
382	S	95.1	Very high	92.8	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133	178	-173.3	0	0	0	0	110.5	L362 M363 L364 T395 N396	L362-S382 VanDerWaalsContact CD1-OG 3.25Å; L362-S382 WeakPolarHBondContact CD1-OG 3.16Å; M363-S382 WeakPolarHBondContact O-CA 3.47Å; L364-S382 WeakPolarHBondContact CD2-OG 3.46Å; S382-T395 WeakPolarHBondContact CB-OG1 3.29Å; S382-T395 PolarHBondContact O-N 3.5Å; S382-T395 PolarHBondContact O-OG1 3.07Å; S382-T395 VanDerWaalsContact O-OG1 3.05Å; S382-T395 PolarHBondContact OG-OG1 3.09Å; S382-N396 PolarHBondContact N-O 3.28Å
383	E	94.6	Very high	92.6	Very high	30 Å²	30	55.2 Å²	55.2	14%	0.14	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.3	175.8	63.1	179.7	-169.6	0	0	111.5	M363 H381 H392 S393	M363-E383 HydrophobicContact CB-CG 3.92Å; M363-E383 WeakPolarHBondContact CE-OE1 3.08Å; M363-E383 PolarHBondContact N-O 3.33Å; M363-E383 PolarHBondContact O-N 2.86Å; H381-E383 IonicContact CE1-OE2 3.53Å; E383-H392 VanDerWaalsContact CD-ND1 3.29Å; E383-H392 IonicContact OE1-CE1 2.92Å; E383-H392 IonicContact OE1-ND1 3.49Å; E383-H392 PolarHBondContact OE1-ND1 3.41Å; E383-H392 IonicContact OE2-CG 3.83Å; E383-H392 IonicContact OE2-ND1 3.24Å; E383-H392 PolarHBondContact OE2-ND1 3.18Å; E383-S393 CarbonylContact C-O 3.6Å; E383-S393 VanDerWaalsContact CA-O 3.29Å; E383-S393 WeakPolarHBondContact CA-O 3.44Å
384	V	92.9	Very high	92.4	Very high	20 Å²	20	55.2 Å²	55.2	12%	0.121	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.2	169.4	167.9	0	0	0	0	108.6	V356 L361 L362 H392 S393 T395	V356-V384 HydrophobicContact CB-CG2 4.25Å; V356-V384 HydrophobicContact CG1-CG2 3.72Å; V356-V384 HydrophobicContact CG2-CG2 3.78Å; L361-V384 WeakPolarHBondContact O-CA 3.19Å; L362-V384 HydrophobicContact CD1-CG2 4.36Å; V384-H392 WeakPolarHBondContact O-CA 3.39Å; V384-S393 PolarHBondContact N-O 2.98Å; V384-S393 PolarHBondContact O-N 3.25Å; V384-T395 HydrophobicContact CB-CG2 4.41Å; V384-T395 HydrophobicContact CG2-CG2 3.73Å
385	F	90.1	Very high	92.1	Very high	47 Å²	47	50.9 Å²	50.9	21%	0.206	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.8	169.7	176.4	-116.1	0	0	0	109.7	L361 M363 P387 Q390 H392	L361-F385 HydrophobicContact CB-CB 4.33Å; L361-F385 HydrophobicContact CD1-CD1 3.8Å; L361-F385 HydrophobicContact CD1-CE1 4.36Å; L361-F385 PolarHBondContact O-N 3.15Å; M363-F385 HydrophobicContact CG-CB 4.41Å; F385-P387 HydrophobicContact CE1-CB 4.08Å; F385-Q390 HydrophobicContact CE2-CB 4.34Å; F385-H392 AromaticContact CD2-CD2 3.66Å; F385-H392 AromaticContact CD2-CE1 3.59Å; F385-H392 AromaticContact CD2-NE2 3.26Å; F385-H392 VanDerWaalsContact CD2-NE2 3.26Å; F385-H392 WeakPolarHBondContact CD2-NE2 3.49Å; F385-H392 AromaticContact CE2-NE2 3.57Å
386	D	85.8	Confident	91.9	Very high	59 Å²	59	48.1 Å²	48.1	32%	0.316	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	112.6	170.2	176	-2.1	0	0	0	109.2	L388 T389 Q390 Q391	D386-L388 VanDerWaalsContact C-N 3.25Å; D386-L388 PolarHBondContact O-N 3.22Å; D386-L388 WeakPolarHBondContact OD1-CB 3.08Å; D386-L388 PolarHBondContact OD1-N 3.13Å; D386-T389 VanDerWaalsContact CB-OG1 3.29Å; D386-T389 WeakPolarHBondContact CB-OG1 3.39Å; D386-T389 PolarHBondContact OD1-N 3.14Å; D386-T389 VanDerWaalsContact OD2-CG2 3.24Å; D386-T389 WeakPolarHBondContact OD2-CG2 3.27Å; D386-T389 PolarHBondContact OD2-OG1 3.04Å; D386-Q390 WeakPolarHBondContact O-CA 3.49Å; D386-Q390 PolarHBondContact O-N 3.12Å; D386-Q391 PolarHBondContact N-O 2.71Å
387	P	81.8	Confident	91.7	Very high	75 Å²	75	49.8 Å²	49.8	49%	0.487	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.3	-176.9	28.8	-34.8	0	0	0	113.5	L361 F385	L361-P387 HydrophobicContact CD1-CB 4.33Å; L361-P387 HydrophobicContact CD1-CG 4.22Å; F385-P387 HydrophobicContact CE1-CB 4.08Å
388	L	85.4	Confident	91.6	Very high	161 Å²	161	49.8 Å²	49.8	84%	0.843	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-41.2	-179.2	-61.6	178	0	0	0	111.4	D386	D386-L388 VanDerWaalsContact C-N 3.25Å; D386-L388 PolarHBondContact O-N 3.22Å; D386-L388 WeakPolarHBondContact OD1-CB 3.08Å; D386-L388 PolarHBondContact OD1-N 3.13Å
389	T	87.5	Confident	91.5	Very high	74 Å²	74	50.3 Å²	50.3	45%	0.454	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-11.2	179.9	62.8	0	0	0	0	113.5	D386 Q391	D386-T389 VanDerWaalsContact CB-OG1 3.29Å; D386-T389 WeakPolarHBondContact CB-OG1 3.39Å; D386-T389 PolarHBondContact OD1-N 3.14Å; D386-T389 VanDerWaalsContact OD2-CG2 3.24Å; D386-T389 WeakPolarHBondContact OD2-CG2 3.27Å; D386-T389 PolarHBondContact OD2-OG1 3.04Å; T389-Q391 PolarHBondContact O-N 3.02Å
390	Q	86.7	Confident	91.4	Very high	152 Å²	152	48.2 Å²	48.2	71%	0.71	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	24.7	-172.1	-58.7	-175.7	-4.5	0	0	113.8	F385 D386	F385-Q390 HydrophobicContact CE2-CB 4.34Å; D386-Q390 WeakPolarHBondContact O-CA 3.49Å; D386-Q390 PolarHBondContact O-N 3.12Å
391	Q	89.1	Confident	91.4	Very high	139 Å²	139	48.3 Å²	48.3	65%	0.65	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.9	-179.7	-66.6	-170.9	-5	0	0	111.5	D386 T389	D386-Q391 PolarHBondContact N-O 2.71Å; T389-Q391 PolarHBondContact O-N 3.02Å
392	H	90.1	Very high	91.4	Very high	98 Å²	98	46.5 Å²	46.5	45%	0.454	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.4	171.4	-68.4	-110.6	0	0	0	109.6	E383 V384 F385	E383-H392 VanDerWaalsContact CD-ND1 3.29Å; E383-H392 IonicContact OE1-CE1 2.92Å; E383-H392 IonicContact OE1-ND1 3.49Å; E383-H392 PolarHBondContact OE1-ND1 3.41Å; E383-H392 IonicContact OE2-CG 3.83Å; E383-H392 IonicContact OE2-ND1 3.24Å; E383-H392 PolarHBondContact OE2-ND1 3.18Å; V384-H392 WeakPolarHBondContact O-CA 3.39Å; F385-H392 AromaticContact CD2-CD2 3.66Å; F385-H392 AromaticContact CD2-CE1 3.59Å; F385-H392 AromaticContact CD2-NE2 3.26Å; F385-H392 VanDerWaalsContact CD2-NE2 3.26Å; F385-H392 WeakPolarHBondContact CD2-NE2 3.49Å; F385-H392 AromaticContact CE2-NE2 3.57Å
393	S	90.5	Very high	91.4	Very high	31 Å²	31	46.8 Å²	46.8	22%	0.217	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	115.1	175.9	179.9	0	0	0	0	110.3	K354 E383 V384 T395	K354-S393 WeakPolarHBondContact CD-OG 3.49Å; K354-S393 WeakPolarHBondContact CE-OG 3.36Å; K354-S393 PolarHBondContact NZ-OG 2.75Å; E383-S393 CarbonylContact C-O 3.6Å; E383-S393 VanDerWaalsContact CA-O 3.29Å; E383-S393 WeakPolarHBondContact CA-O 3.44Å; V384-S393 PolarHBondContact N-O 2.98Å; V384-S393 PolarHBondContact O-N 3.25Å; S393-T395 PolarHBondContact O-N 3.28Å
394	T	91.4	Very high	91.4	Very high	42 Å²	42	45.6 Å²	45.6	26%	0.258	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	133.1	173.4	-63.1	0	0	0	0	110.4	H381 I397	H381-T394 WeakPolarHBondContact NE2-CG2 3.12Å; H381-T394 PolarHBondContact NE2-OG1 3.31Å; T394-I397 HydrophobicContact CG2-CG1 4.42Å
395	T	90.3	Very high	91.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-48.8	179.8	51.6	0	0	0	0	110.3	Q353 V356 S382 V384 S393	Q353-T395 WeakPolarHBondContact CB-O 3.4Å; Q353-T395 PolarHBondContact N-O 2.75Å; V356-T395 HydrophobicContact CG2-CG2 3.42Å; V356-T395 VanDerWaalsContact CG2-CG2 3.42Å; S382-T395 WeakPolarHBondContact CB-OG1 3.29Å; S382-T395 PolarHBondContact O-N 3.5Å; S382-T395 PolarHBondContact O-OG1 3.07Å; S382-T395 VanDerWaalsContact O-OG1 3.05Å; S382-T395 PolarHBondContact OG-OG1 3.09Å; V384-T395 HydrophobicContact CB-CG2 4.41Å; V384-T395 HydrophobicContact CG2-CG2 3.73Å; S393-T395 PolarHBondContact O-N 3.28Å
396	N	92.3	Very high	91.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	153	-172.6	-67.2	95.5	0	0	0	110.7	L351 F352 S382 F398	L351-N396 PolarHBondContact O-ND2 2.87Å; F352-N396 VanDerWaalsContact CA-ND2 3.32Å; F352-N396 WeakPolarHBondContact CA-ND2 3.22Å; F352-N396 WeakPolarHBondContact CD1-ND2 3.25Å; F352-N396 WeakPolarHBondContact CE1-ND2 3.4Å; F352-N396 VanDerWaalsContact CG-ND2 3.32Å; F352-N396 WeakPolarHBondContact CG-ND2 3.33Å; S382-N396 PolarHBondContact N-O 3.28Å; N396-F398 HydrophobicContact CB-CD2 4.16Å; N396-F398 HydrophobicContact CB-CE1 4.2Å; N396-F398 HydrophobicContact CB-CE2 3.36Å; N396-F398 HydrophobicContact CB-CZ 3.39Å
397	I	93.3	Very high	92	Very high	37 Å²	37	58.7 Å²	58.7	19%	0.19	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.8	164.6	-60.5	162	0	0	0	105.4	R379 T394 H399	R379-I397 HydrophobicContact CG-CG2 3.97Å; R379-I397 VanDerWaalsContact NH2-CD1 3.26Å; T394-I397 HydrophobicContact CG2-CG1 4.42Å; I397-H399 VanDerWaalsContact CG2-NE2 3.3Å; I397-H399 WeakPolarHBondContact CG2-NE2 3.44Å
398	F	95.8	Very high	92.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.4	179.4	-52.1	-92	0	0	0	109	L322 M323 A326 I350 R379 V380 N396 Y400	L322-F398 HydrophobicContact CB-CZ 4.38Å; M323-F398 HydrophobicContact CG-CE1 3.91Å; A326-F398 HydrophobicContact CB-CB 4.39Å; A326-F398 HydrophobicContact CB-CD1 4.06Å; A326-F398 HydrophobicContact CB-CD2 3.28Å; A326-F398 HydrophobicContact CB-CE1 4.14Å; A326-F398 HydrophobicContact CB-CE2 3.37Å; A326-F398 HydrophobicContact CB-CG 3.65Å; A326-F398 HydrophobicContact CB-CZ 3.82Å; I350-F398 HydrophobicContact CB-CD1 4.46Å; I350-F398 HydrophobicContact CD1-CD1 3.71Å; I350-F398 HydrophobicContact CD1-CE1 4.04Å; I350-F398 HydrophobicContact CG1-CD1 3.85Å; I350-F398 HydrophobicContact CG1-CE1 4.34Å; I350-F398 HydrophobicContact CG2-CD1 3.77Å; I350-F398 HydrophobicContact CG2-CE1 3.51Å; I350-F398 HydrophobicContact CG2-CZ 4.44Å; R379-F398 CarbonylContact C-O 3.54Å; R379-F398 WeakPolarHBondContact CA-O 3.26Å; V380-F398 HydrophobicContact CB-CB 4.22Å; V380-F398 HydrophobicContact CB-CD2 4.33Å; V380-F398 PolarHBondContact N-O 3.2Å; V380-F398 WeakPolarHBondContact O-CD2 3.47Å; V380-F398 PolarHBondContact O-N 2.97Å; N396-F398 HydrophobicContact CB-CD2 4.16Å; N396-F398 HydrophobicContact CB-CE1 4.2Å; N396-F398 HydrophobicContact CB-CE2 3.36Å; N396-F398 HydrophobicContact CB-CZ 3.39Å; F398-Y400 HydrophobicContact CB-CD2 4.35Å; F398-Y400 HydrophobicContact CB-CE2 3.51Å; F398-Y400 WeakPolarHBondContact CD1-OH 3.28Å; F398-Y400 HydrophobicContact CG-CE2 4.37Å
399	H	96.4	Very high	93.2	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.046	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	172.4	-69.5	-97.5	0	0	0	108.7	D348 V378 I397 D424 H428	D348-H399 HydrophobicContact CB-CB 3.7Å; D348-H399 PolarHBondContact N-O 3.12Å; V378-H399 WeakPolarHBondContact O-CA 3.02Å; I397-H399 VanDerWaalsContact CG2-NE2 3.3Å; I397-H399 WeakPolarHBondContact CG2-NE2 3.44Å; H399-D424 IonicContact CE1-OD2 3.77Å; H399-D424 PolarHBondContact CE1-OD2 3.3Å; H399-D424 IonicContact NE2-OD2 2.68Å; H399-H428 AromaticContact CD2-NE2 3.78Å; H399-H428 AromaticContact CE1-CD2 3.53Å; H399-H428 AromaticContact CE1-NE2 3.71Å; H399-H428 AromaticContact CG-CD2 3.82Å; H399-H428 AromaticContact CG-NE2 3.95Å; H399-H428 AromaticContact ND1-CD2 3.47Å; H399-H428 PolarHBondContact ND1-CD2 3.21Å; H399-H428 AromaticContact ND1-CG 3.98Å; H399-H428 AromaticContact ND1-NE2 3.93Å; H399-H428 AromaticContact NE2-CD2 3.99Å; H399-H428 AromaticContact NE2-NE2 3.7Å
400	Y	97.3	Very high	93.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.9	-178.8	-58.5	-70.4	0	0	0	109.6	A326 Y327 V347 V378 V380 F398 F402	A326-Y400 HydrophobicContact CB-CE2 4.5Å; Y327-Y400 HydrophobicContact CD2-CD1 4.13Å; Y327-Y400 AromaticContact CD2-CE1 3.91Å; Y327-Y400 HydrophobicContact CD2-CE1 3.91Å; Y327-Y400 PolarHBondContact N-OH 3.34Å; V347-Y400 HydrophobicContact CB-CD1 4.29Å; V347-Y400 HydrophobicContact CB-CE1 4.34Å; V347-Y400 HydrophobicContact CG1-CD1 3.98Å; V347-Y400 HydrophobicContact CG1-CE1 3.64Å; V347-Y400 HydrophobicContact CG2-CD1 3.96Å; V347-Y400 HydrophobicContact CG2-CE1 4.01Å; V378-Y400 PolarHBondContact N-O 3.46Å; V378-Y400 PolarHBondContact O-N 3.14Å; V380-Y400 HydrophobicContact CB-CE2 4.36Å; V380-Y400 HydrophobicContact CG2-CD2 4.01Å; V380-Y400 HydrophobicContact CG2-CE2 3.84Å; F398-Y400 HydrophobicContact CB-CD2 4.35Å; F398-Y400 HydrophobicContact CB-CE2 3.51Å; F398-Y400 WeakPolarHBondContact CD1-OH 3.28Å; F398-Y400 HydrophobicContact CG-CE2 4.37Å; Y400-F402 HydrophobicContact CG-CE2 4.14Å; Y400-F402 HydrophobicContact CG-CZ 4.2Å
401	T	96.9	Very high	94.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.5	172.4	-48.9	0	0	0	0	108.3	V345 A346 Q377 F429 T432	V345-T401 HydrophobicContact CB-CG2 4.09Å; V345-T401 WeakPolarHBondContact CB-O 3.05Å; V345-T401 HydrophobicContact CG1-CG2 4.37Å; V345-T401 PolarHBondContact N-O 3.08Å; A346-T401 PolarHBondContact N-O 3.31Å; A346-T401 PolarHBondContact O-N 3.09Å; Q377-T401 PolarHBondContact OE1-OG1 2.84Å; T401-F429 HydrophobicContact CG2-CD2 4.02Å; T401-F429 HydrophobicContact CG2-CE2 4.28Å; T401-T432 HydrophobicContact CG2-CG2 4.03Å; T401-T432 PolarHBondContact OG1-OG1 3.5Å
402	F	96.7	Very high	94.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147	179.6	-70.9	-68.9	0	0	0	110.8	Y327 W331 A334 P342 S343 L344 Y375 I376 V378 Y400	Y327-F402 HydrophobicContact CD2-CZ 4.5Å; Y327-F402 AromaticContact CE2-CE1 3.96Å; Y327-F402 HydrophobicContact CE2-CE1 3.96Å; Y327-F402 HydrophobicContact CE2-CZ 4.08Å; W331-F402 HydrophobicContact CB-CE1 4.19Å; W331-F402 HydrophobicContact CB-CZ 3.97Å; W331-F402 AromaticContact CD1-CE1 3.81Å; W331-F402 HydrophobicContact CG-CE1 4.42Å; A334-F402 HydrophobicContact CB-CB 4.16Å; A334-F402 HydrophobicContact CB-CD2 3.58Å; A334-F402 HydrophobicContact CB-CE2 4.12Å; A334-F402 HydrophobicContact CB-CG 3.92Å; P342-F402 HydrophobicContact CB-CB 3.84Å; P342-F402 HydrophobicContact CB-CD1 4.21Å; P342-F402 HydrophobicContact CB-CG 4.26Å; P342-F402 HydrophobicContact CG-CB 4.48Å; P342-F402 HydrophobicContact CG-CD1 4.31Å; P342-F402 HydrophobicContact CG-CG 4.45Å; S343-F402 WeakPolarHBondContact O-CA 3.45Å; L344-F402 HydrophobicContact CB-CD1 4.49Å; L344-F402 HydrophobicContact CB-CE1 4.34Å; L344-F402 HydrophobicContact CD1-CD1 4.29Å; L344-F402 HydrophobicContact CD1-CE1 3.91Å; L344-F402 HydrophobicContact CD1-CZ 4.46Å; Y375-F402 CarbonylContact C-O 3.58Å; Y375-F402 VanDerWaalsContact CA-O 3.28Å; Y375-F402 WeakPolarHBondContact CA-O 3.48Å; I376-F402 HydrophobicContact CB-CB 4.38Å; I376-F402 PolarHBondContact N-O 2.83Å; I376-F402 PolarHBondContact O-N 2.89Å; V378-F402 HydrophobicContact CB-CD2 4.33Å; V378-F402 HydrophobicContact CB-CE2 4.23Å; V378-F402 HydrophobicContact CG2-CD2 3.91Å; V378-F402 HydrophobicContact CG2-CE2 4.18Å; Y400-F402 HydrophobicContact CG-CE2 4.14Å; Y400-F402 HydrophobicContact CG-CZ 4.2Å
403	A	95.5	Very high	94.8	Very high	6 Å²	6	30.4 Å²	30.4	5%	0.05	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.5	171.6	0	0	0	0	0	110.4	P342 S343 V345 Y375	P342-A403 CarbonylContact C-O 3.52Å; P342-A403 WeakPolarHBondContact CA-O 3.14Å; S343-A403 PolarHBondContact N-O 2.75Å; S343-A403 PolarHBondContact O-N 3.07Å; S343-A403 PolarHBondContact OG-O 3.17Å; V345-A403 HydrophobicContact CG2-CB 3.6Å; Y375-A403 HydrophobicContact CD1-CB 3.85Å; Y375-A403 HydrophobicContact CE1-CB 3.82Å
404	S	94.7	Very high	94.9	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.028	18%	0.175	C	C	.	.			trans	-92.8	157.8	172.3	159.4	0	0	0	0	110.5	C340 K374 R406	C340-S404 PolarHBondContact SG-OG 2.84Å; K374-S404 WeakPolarHBondContact CB-O 3.26Å; K374-S404 WeakPolarHBondContact O-CB 3.26Å; K374-S404 PolarHBondContact O-N 2.81Å; S404-R406 VanDerWaalsContact CB-O 3.3Å; S404-R406 WeakPolarHBondContact CB-O 3.25Å; S404-R406 PolarHBondContact O-N 2.96Å; S404-R406 PolarHBondContact OG-N 2.82Å; S404-R406 VanDerWaalsContact OG-N 3.09Å; S404-R406 PolarHBondContact OG-O 2.66Å
405	D	91.7	Very high	95	Very high	144 Å²	144	36.3 Å²	36.3	77%	0.77	19%	0.185	S	C	*	.	S	Bend	trans	-70.6	-14.1	173.4	-62.2	-28.2	0	0	0	112.8
406	R	93.4	Very high	95.1	Very high	135 Å²	135	44 Å²	44	51%	0.509	22%	0.215	S	C	.	.	S	Bend	trans	-139.3	166.5	-178.4	61.6	-176.8	176.4	-158	-1.9	111.6	G338 G339 K374 S404	G338-R406 PolarHBondContact O-NE 3.35Å; G338-R406 PolarHBondContact O-NH2 2.72Å; G339-R406 PolarHBondContact O-NH2 2.8Å; K374-R406 WeakPolarHBondContact CB-O 3.46Å; S404-R406 VanDerWaalsContact CB-O 3.3Å; S404-R406 WeakPolarHBondContact CB-O 3.25Å; S404-R406 PolarHBondContact O-N 2.96Å; S404-R406 PolarHBondContact OG-N 2.82Å; S404-R406 VanDerWaalsContact OG-N 3.09Å; S404-R406 PolarHBondContact OG-O 2.66Å
407	N	95.6	Very high	95.1	Very high	123 Å²	123	46 Å²	46	66%	0.658	24%	0.235	S	C	*	.			trans	-61	140	171.1	-70.9	-23.6	0	0	0	110.7	G373	G373-N407 VanDerWaalsContact C-OD1 3.3Å; G373-N407 VanDerWaalsContact O-CA 3.29Å; G373-N407 WeakPolarHBondContact O-CA 3.17Å
408	V	96.6	Very high	95.2	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.055	23%	0.231	C	C	.	.			trans	-105.2	157.9	-178.5	-59.6	0	0	0	0	110.2	F337 T371 G373 I376	F337-V408 HydrophobicContact CE1-CB 4.22Å; F337-V408 HydrophobicContact CE1-CG2 4.32Å; T371-V408 HydrophobicContact CG2-CG2 4.2Å; G373-V408 WeakPolarHBondContact O-CG2 3.21Å; G373-V408 PolarHBondContact O-N 3.03Å; I376-V408 HydrophobicContact CD1-CG1 3.95Å; I376-V408 HydrophobicContact CG1-CB 4.33Å; I376-V408 HydrophobicContact CG1-CG1 3.94Å; I376-V408 HydrophobicContact CG1-CG2 3.96Å
409	P	96.6	Very high	95.2	Very high	27 Å²	27	45.9 Å²	45.9	18%	0.175	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-58.6	150.7	172.3	-23.4	34.7	0	0	0	111.8	N291 V293 F337	N291-P409 CarbonylContact O-C 3.55Å; N291-P409 WeakPolarHBondContact O-CA 3.42Å; N291-P409 WeakPolarHBondContact O-CB 3.44Å; V293-P409 HydrophobicContact CG2-CB 3.86Å; V293-P409 HydrophobicContact CG2-CG 4.38Å; F337-P409 VanDerWaalsContact CE1-O 3.31Å; F337-P409 WeakPolarHBondContact CE1-O 3.35Å; F337-P409 HydrophobicContact CZ-CB 4.3Å; F337-P409 VanDerWaalsContact CZ-O 3.31Å; F337-P409 WeakPolarHBondContact CZ-O 3.44Å
410	S	96.6	Very high	95.1	Very high	59 Å²	59	47 Å²	47	41%	0.413	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.8	173.9	-65.4	0	0	0	0	110.6	N291 S292 V293 T371	N291-S410 PolarHBondContact O-N 3.43Å; S292-S410 CarbonylContact C-O 3.56Å; S292-S410 WeakPolarHBondContact CA-O 3.41Å; S292-S410 WeakPolarHBondContact CB-O 3.2Å; V293-S410 PolarHBondContact N-O 3.46Å; T371-S410 WeakPolarHBondContact OG1-CA 3.4Å
411	V	97.2	Very high	95	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.4	171.1	71.9	0	0	0	0	110	V293 M295 A298 F337 V368 T371 Y422	V293-V411 WeakPolarHBondContact O-CA 3.24Å; M295-V411 HydrophobicContact CB-CG2 3.85Å; M295-V411 HydrophobicContact CE-CG1 4.41Å; M295-V411 HydrophobicContact CE-CG2 4.19Å; M295-V411 HydrophobicContact CG-CG2 4.1Å; A298-V411 HydrophobicContact CB-CG2 4.39Å; F337-V411 HydrophobicContact CE2-CB 4.39Å; F337-V411 HydrophobicContact CZ-CB 4.13Å; V368-V411 HydrophobicContact CG1-CB 4.24Å; V368-V411 HydrophobicContact CG1-CG1 4.3Å; V368-V411 HydrophobicContact CG1-CG2 4.42Å; T371-V411 HydrophobicContact CG2-CB 4.02Å; T371-V411 HydrophobicContact CG2-CG1 3.86Å; T371-V411 PolarHBondContact OG1-N 2.9Å; V411-Y422 HydrophobicContact CG1-CD2 4.28Å; V411-Y422 HydrophobicContact CG1-CE2 4.25Å
412	V	96.8	Very high	95	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.1	-175.2	-177.3	0	0	0	0	110.4	T275 L288 V293 W294 M295	T275-V412 HydrophobicContact CG2-CG1 3.51Å; L288-V412 HydrophobicContact CD2-CB 4.06Å; L288-V412 HydrophobicContact CD2-CG2 4.19Å; V293-V412 PolarHBondContact O-N 2.96Å; W294-V412 HydrophobicContact CE3-CB 4.18Å; W294-V412 HydrophobicContact CE3-CG1 4.1Å; W294-V412 HydrophobicContact CZ3-CB 4.22Å; W294-V412 HydrophobicContact CZ3-CG1 3.65Å; M295-V412 PolarHBondContact N-O 3.32Å
413	P	96.6	Very high	95	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.019	26%	0.257	C	S	.	.			trans	-73.6	138.9	177	30.1	-34	0	0	0	111.8	L271 R286 M295 E418 Y422	L271-P413 HydrophobicContact CD1-CG 4.42Å; R286-P413 PolarHBondContact NH2-O 2.79Å; M295-P413 HydrophobicContact CE-CB 4.29Å; P413-E418 VanDerWaalsContact CB-C 3.48Å; P413-E418 HydrophobicContact CB-CB 3.6Å; P413-Y422 HydrophobicContact CG-CG 4.42Å
414	R	92.3	Very high	94.9	Very high	123 Å²	123	51.6 Å²	51.6	46%	0.464	26%	0.263	S	S	.	.			trans	-99.3	-40.6	176.4	-164.9	173.7	-174.9	160.5	4.7	111.7	R286 W294 E296 E418	R286-R414 PolarHBondContact NH1-O 2.88Å; W294-R414 HydrophobicContact CE3-CB 4.11Å; W294-R414 HydrophobicContact CE3-CG 4.48Å; W294-R414 HydrophobicContact CZ3-CB 4.41Å; E296-R414 WeakPolarHBondContact OE1-CD 3.43Å; E296-R414 IonicContact OE1-CZ 3.58Å; E296-R414 IonicContact OE1-NE 2.75Å; E296-R414 IonicContact OE1-NH1 2.73Å; E296-R414 PolarHBondContact OE1-NH1 2.78Å; R414-E418 VanDerWaalsContact CA-OE2 3.23Å; R414-E418 WeakPolarHBondContact CA-OE2 3.46Å; R414-E418 WeakPolarHBondContact CB-OE2 3.49Å; R414-E418 PolarHBondContact N-OE2 2.98Å
415	T	93.4	Very high	94.9	Very high	74 Å²	74	51.4 Å²	51.4	45%	0.454	26%	0.261	S	S	.	.	S	Bend	trans	-105.1	163.8	-177.7	69.5	0	0	0	0	112.4	G417 E418 S419	T415-G417 VanDerWaalsContact C-N 3.26Å; T415-G417 PolarHBondContact O-N 3.34Å; T415-E418 PolarHBondContact N-OE2 3.05Å; T415-E418 PolarHBondContact O-N 3.41Å; T415-E418 WeakPolarHBondContact OG1-CG 3.29Å; T415-E418 PolarHBondContact OG1-N 3.13Å; T415-E418 VanDerWaalsContact OG1-N 3.14Å; T415-E418 PolarHBondContact OG1-OE2 3.13Å; T415-S419 PolarHBondContact O-N 2.96Å; T415-S419 PolarHBondContact O-OG 3.36Å
416	Y	91.4	Very high	95	Very high	164 Å²	164	46.9 Å²	46.9	64%	0.643	24%	0.235	S	C	*	.	H	α-helix	trans	-59.1	-38.7	172.3	179.8	-99.5	0	0	0	112.2	E418 S419 M420	Y416-E418 VanDerWaalsContact C-N 3.34Å; Y416-E418 PolarHBondContact O-N 2.78Å; Y416-S419 WeakPolarHBondContact O-CB 3.24Å; Y416-S419 PolarHBondContact O-N 3.47Å; Y416-S419 VanDerWaalsContact O-N 3.15Å; Y416-M420 HydrophobicContact CD1-CG 4.24Å; Y416-M420 HydrophobicContact CD2-CE 4.27Å; Y416-M420 HydrophobicContact CE1-CE 4.45Å; Y416-M420 HydrophobicContact CE1-CG 3.76Å; Y416-M420 HydrophobicContact CE1-SD 4.13Å; Y416-M420 HydrophobicContact CE2-CE 3.66Å; Y416-M420 HydrophobicContact CE2-SD 4.27Å; Y416-M420 WeakPolarHBondContact O-CG 3.39Å; Y416-M420 PolarHBondContact O-N 3Å
417	G	92.8	Very high	95	Very high	41 Å²	41	43.4 Å²	43.4	42%	0.423	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-43.3	176	0	0	0	0	0	112.1	T415 S419 M420 L421	T415-G417 VanDerWaalsContact C-N 3.26Å; T415-G417 PolarHBondContact O-N 3.34Å; G417-S419 VanDerWaalsContact C-N 3.34Å; G417-M420 PolarHBondContact O-N 3.35Å; G417-L421 WeakPolarHBondContact O-CG 3.28Å; G417-L421 PolarHBondContact O-N 2.87Å
418	E	95.6	Very high	94.8	Very high	21 Å²	21	39.3 Å²	39.3	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-34.9	173.6	-70.9	172.5	150.7	0	0	112.5	M295 E296 P413 R414 T415 Y416 M420 L421 Y422	M295-E418 HydrophobicContact CB-CB 4.43Å; M295-E418 HydrophobicContact CB-CG 4.26Å; M295-E418 HydrophobicContact CG-CB 4.43Å; M295-E418 HydrophobicContact CG-CG 4.17Å; M295-E418 HydrophobicContact SD-CB 3.6Å; M295-E418 VanDerWaalsContact SD-CB 3.6Å; M295-E418 HydrophobicContact SD-CG 3.79Å; E296-E418 WeakPolarHBondContact CA-OE1 3.32Å; E296-E418 WeakPolarHBondContact CB-OE1 3.32Å; E296-E418 PolarHBondContact N-OE1 3.09Å; E296-E418 VanDerWaalsContact N-OE1 3.11Å; P413-E418 VanDerWaalsContact CB-C 3.48Å; P413-E418 HydrophobicContact CB-CB 3.6Å; R414-E418 VanDerWaalsContact CA-OE2 3.23Å; R414-E418 WeakPolarHBondContact CA-OE2 3.46Å; R414-E418 WeakPolarHBondContact CB-OE2 3.49Å; R414-E418 PolarHBondContact N-OE2 2.98Å; T415-E418 PolarHBondContact N-OE2 3.05Å; T415-E418 PolarHBondContact O-N 3.41Å; T415-E418 WeakPolarHBondContact OG1-CG 3.29Å; T415-E418 PolarHBondContact OG1-N 3.13Å; T415-E418 VanDerWaalsContact OG1-N 3.14Å; T415-E418 PolarHBondContact OG1-OE2 3.13Å; Y416-E418 VanDerWaalsContact C-N 3.34Å; Y416-E418 PolarHBondContact O-N 2.78Å; E418-M420 VanDerWaalsContact C-N 3.29Å; E418-M420 PolarHBondContact O-N 3Å; E418-L421 CarbonylContact O-C 3.58Å; E418-L421 PolarHBondContact O-N 2.67Å; E418-Y422 WeakPolarHBondContact O-CB 3.25Å; E418-Y422 PolarHBondContact O-N 3.5Å
419	S	95.3	Very high	94.7	Very high	13 Å²	13	39 Å²	39	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-38.7	172.5	-63.2	0	0	0	0	111.7	I268 T415 Y416 G417 Y422 L423	I268-S419 WeakPolarHBondContact CG2-OG 3.46Å; T415-S419 PolarHBondContact O-N 2.96Å; T415-S419 PolarHBondContact O-OG 3.36Å; Y416-S419 WeakPolarHBondContact O-CB 3.24Å; Y416-S419 PolarHBondContact O-N 3.47Å; Y416-S419 VanDerWaalsContact O-N 3.15Å; G417-S419 VanDerWaalsContact C-N 3.34Å; S419-Y422 WeakPolarHBondContact O-CB 3.29Å; S419-Y422 PolarHBondContact O-N 3.34Å; S419-L423 WeakPolarHBondContact O-CG 3.24Å; S419-L423 PolarHBondContact O-N 3.32Å; S419-L423 VanDerWaalsContact O-N 3.09Å
420	M	95.1	Very high	94.5	Very high	35 Å²	35	40.2 Å²	40.2	17%	0.172	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-42.1	173.8	-62.8	-56.3	93.7	0	0	111.4	P260 Y416 G417 E418 Y422 L423 D424	P260-M420 HydrophobicContact CG-CE 3.87Å; P260-M420 HydrophobicContact CG-SD 3.6Å; P260-M420 VanDerWaalsContact CG-SD 3.6Å; Y416-M420 HydrophobicContact CD1-CG 4.24Å; Y416-M420 HydrophobicContact CD2-CE 4.27Å; Y416-M420 HydrophobicContact CE1-CE 4.45Å; Y416-M420 HydrophobicContact CE1-CG 3.76Å; Y416-M420 HydrophobicContact CE1-SD 4.13Å; Y416-M420 HydrophobicContact CE2-CE 3.66Å; Y416-M420 HydrophobicContact CE2-SD 4.27Å; Y416-M420 WeakPolarHBondContact O-CG 3.39Å; Y416-M420 PolarHBondContact O-N 3Å; G417-M420 PolarHBondContact O-N 3.35Å; E418-M420 VanDerWaalsContact C-N 3.29Å; E418-M420 PolarHBondContact O-N 3Å; M420-Y422 VanDerWaalsContact C-N 3.26Å; M420-Y422 PolarHBondContact O-N 3.34Å; M420-L423 HydrophobicContact CE-CD1 3.89Å; M420-L423 PolarHBondContact O-N 2.97Å; M420-D424 VanDerWaalsContact O-CB 3.28Å; M420-D424 WeakPolarHBondContact O-CB 3.44Å; M420-D424 PolarHBondContact O-N 3.22Å
421	L	94.8	Very high	94	Very high	47 Å²	47	41 Å²	41	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-35.9	173.8	-70.1	175.5	0	0	0	112.3	M295 C369 G417 E418 G425	M295-L421 HydrophobicContact SD-CB 4.13Å; C369-L421 WeakPolarHBondContact CB-O 3.43Å; G417-L421 WeakPolarHBondContact O-CG 3.28Å; G417-L421 PolarHBondContact O-N 2.87Å; E418-L421 CarbonylContact O-C 3.58Å; E418-L421 PolarHBondContact O-N 2.67Å; L421-G425 PolarHBondContact O-N 3.19Å
422	Y	97	Very high	93.5	Very high	24 Å²	24	41.2 Å²	41.2	9%	0.094	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-46.9	176.4	-175.6	-86.9	0	0	0	111.8	I267 I268 L271 M295 C369 Y370 V411 P413 E418 S419 M420 G425 K426	I267-Y422 HydrophobicContact CG2-CE1 4.17Å; I268-Y422 HydrophobicContact CD1-CD1 4.1Å; L271-Y422 HydrophobicContact CD1-CD1 3.9Å; L271-Y422 HydrophobicContact CD1-CE1 3.54Å; L271-Y422 HydrophobicContact CD1-CE2 4.32Å; L271-Y422 HydrophobicContact CD1-CG 4.44Å; M295-Y422 HydrophobicContact CE-CD2 4.1Å; C369-Y422 WeakPolarHBondContact O-CA 3.38Å; C369-Y422 WeakPolarHBondContact O-CD2 3.38Å; Y370-Y422 HydrophobicContact CD2-CD1 4.27Å; Y370-Y422 HydrophobicContact CD2-CD2 4.15Å; Y370-Y422 AromaticContact CD2-CE1 3.76Å; Y370-Y422 HydrophobicContact CD2-CE1 3.76Å; Y370-Y422 AromaticContact CD2-CE2 3.64Å; Y370-Y422 HydrophobicContact CD2-CE2 3.64Å; Y370-Y422 HydrophobicContact CD2-CG 4.45Å; Y370-Y422 AromaticContact CD2-CZ 3.42Å; Y370-Y422 VanDerWaalsContact CD2-CZ 3.42Å; Y370-Y422 AromaticContact CE2-CE1 3.79Å; Y370-Y422 HydrophobicContact CE2-CE1 3.79Å; Y370-Y422 HydrophobicContact CE2-CE2 4.15Å; Y370-Y422 AromaticContact CE2-CZ 3.49Å; Y370-Y422 VanDerWaalsContact CE2-CZ 3.49Å; Y370-Y422 VanDerWaalsContact CE2-OH 3.29Å; Y370-Y422 WeakPolarHBondContact CE2-OH 3.44Å; V411-Y422 HydrophobicContact CG1-CD2 4.28Å; V411-Y422 HydrophobicContact CG1-CE2 4.25Å; P413-Y422 HydrophobicContact CG-CG 4.42Å; E418-Y422 WeakPolarHBondContact O-CB 3.25Å; E418-Y422 PolarHBondContact O-N 3.5Å; S419-Y422 WeakPolarHBondContact O-CB 3.29Å; S419-Y422 PolarHBondContact O-N 3.34Å; M420-Y422 VanDerWaalsContact C-N 3.26Å; M420-Y422 PolarHBondContact O-N 3.34Å; Y422-G425 PolarHBondContact O-N 3.23Å; Y422-K426 WeakPolarHBondContact O-CB 3.06Å; Y422-K426 PolarHBondContact O-N 3.5Å
423	L	95.6	Very high	92.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-43.7	176.7	-66.8	178	0	0	0	111.9	L255 P260 E264 I268 S419 M420 K426 R427	L255-L423 HydrophobicContact CD1-CB 3.84Å; P260-L423 HydrophobicContact CB-CD1 3.78Å; P260-L423 HydrophobicContact CG-CD1 3.85Å; E264-L423 HydrophobicContact CB-CD1 3.86Å; E264-L423 HydrophobicContact CB-CD2 3.79Å; E264-L423 HydrophobicContact CB-CG 4.42Å; E264-L423 HydrophobicContact CG-CD2 4.02Å; I268-L423 HydrophobicContact CD1-CD1 4.38Å; I268-L423 HydrophobicContact CD1-CD2 3.95Å; I268-L423 HydrophobicContact CD1-CG 3.88Å; I268-L423 HydrophobicContact CG1-CD1 3.84Å; I268-L423 HydrophobicContact CG1-CD2 3.96Å; I268-L423 HydrophobicContact CG1-CG 3.87Å; S419-L423 WeakPolarHBondContact O-CG 3.24Å; S419-L423 PolarHBondContact O-N 3.32Å; S419-L423 VanDerWaalsContact O-N 3.09Å; M420-L423 HydrophobicContact CE-CD1 3.89Å; M420-L423 PolarHBondContact O-N 2.97Å; L423-K426 WeakPolarHBondContact O-CB 3.5Å; L423-K426 PolarHBondContact O-N 3.49Å; L423-R427 WeakPolarHBondContact O-CG 3.46Å; L423-R427 PolarHBondContact O-N 3.41Å
424	D	93.6	Very high	91.4	Very high	31 Å²	31	52.1 Å²	52.1	17%	0.166	25%	0.253	C	S	.	.	H	α-helix	trans	-57.3	-49.7	175.2	-169.8	65.2	0	0	0	110.7	L255 H399 M420 K426 R427 H428	L255-D424 HydrophobicContact CD1-CB 4.12Å; H399-D424 IonicContact CE1-OD2 3.77Å; H399-D424 PolarHBondContact CE1-OD2 3.3Å; H399-D424 IonicContact NE2-OD2 2.68Å; M420-D424 VanDerWaalsContact O-CB 3.28Å; M420-D424 WeakPolarHBondContact O-CB 3.44Å; M420-D424 PolarHBondContact O-N 3.22Å; D424-K426 VanDerWaalsContact C-N 3.33Å; D424-K426 PolarHBondContact O-N 2.96Å; D424-R427 PolarHBondContact O-N 2.65Å; D424-H428 PolarHBondContact O-CD2 3.19Å; D424-H428 PolarHBondContact O-N 3.16Å; D424-H428 VanDerWaalsContact O-N 3.15Å; D424-H428 IonicContact OD1-NE2 2.81Å
425	G	95.1	Very high	89.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58	-41.7	173.6	0	0	0	0	0	113.3	C369 L421 Y422 H428 F429	C369-G425 VanDerWaalsContact SG-CA 3.58Å; L421-G425 PolarHBondContact O-N 3.19Å; Y422-G425 PolarHBondContact O-N 3.23Å; G425-H428 PolarHBondContact O-N 3.39Å; G425-F429 VanDerWaalsContact O-CB 3.31Å; G425-F429 WeakPolarHBondContact O-CB 3.28Å; G425-F429 PolarHBondContact O-N 3.19Å
426	K	95	Very high	89.5	Confident	49 Å²	49	50.7 Å²	50.7	21%	0.213	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-40.5	177	-173.2	176.5	-178.4	-178.4	0	112.4	Y370 Y422 L423 D424 F429 N430	Y370-K426 HydrophobicContact CD2-CB 3.7Å; Y370-K426 HydrophobicContact CD2-CG 4.16Å; Y370-K426 HydrophobicContact CE1-CG 4.42Å; Y370-K426 HydrophobicContact CE2-CB 3.76Å; Y370-K426 HydrophobicContact CE2-CD 3.83Å; Y370-K426 HydrophobicContact CE2-CG 3.68Å; Y370-K426 HydrophobicContact CG-CB 4.16Å; Y422-K426 WeakPolarHBondContact O-CB 3.06Å; Y422-K426 PolarHBondContact O-N 3.5Å; L423-K426 WeakPolarHBondContact O-CB 3.5Å; L423-K426 PolarHBondContact O-N 3.49Å; D424-K426 VanDerWaalsContact C-N 3.33Å; D424-K426 PolarHBondContact O-N 2.96Å; K426-F429 PolarHBondContact O-N 3.39Å; K426-N430 WeakPolarHBondContact O-CB 3.36Å; K426-N430 VanDerWaalsContact O-CG 3.3Å; K426-N430 PolarHBondContact O-N 2.59Å; K426-N430 PolarHBondContact O-OD1 2.89Å
427	R	92.7	Very high	89.4	Confident	63 Å²	63	44.7 Å²	44.7	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-50.2	176.6	-73.1	177.2	178	-164	-0.7	111.1	A253 L255 E264 L423 D424 F429 N430 Q431	A253-R427 PolarHBondContact O-NH1 3.18Å; A253-R427 VanDerWaalsContact O-NH1 3.11Å; L255-R427 VanDerWaalsContact CD2-NH2 3.35Å; E264-R427 VanDerWaalsContact CD-NH2 3.32Å; E264-R427 IonicContact OE1-CZ 3.45Å; E264-R427 VanDerWaalsContact OE1-CZ 3.3Å; E264-R427 IonicContact OE1-NE 3.26Å; E264-R427 PolarHBondContact OE1-NE 2.75Å; E264-R427 IonicContact OE1-NH2 2.67Å; E264-R427 PolarHBondContact OE1-NH2 3.12Å; E264-R427 IonicContact OE2-CZ 3.27Å; E264-R427 IonicContact OE2-NE 3.53Å; E264-R427 IonicContact OE2-NH2 2.71Å; E264-R427 PolarHBondContact OE2-NH2 2.86Å; L423-R427 WeakPolarHBondContact O-CG 3.46Å; L423-R427 PolarHBondContact O-N 3.41Å; D424-R427 PolarHBondContact O-N 2.65Å; R427-F429 VanDerWaalsContact C-N 3.31Å; R427-F429 PolarHBondContact O-N 3.36Å; R427-N430 PolarHBondContact O-N 3.49Å; R427-Q431 WeakPolarHBondContact O-CG 3.44Å; R427-Q431 PolarHBondContact O-N 3.15Å
428	H	92.1	Very high	89.2	Confident	36 Å²	36	44.9 Å²	44.9	17%	0.167	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-40.3	176.5	-75.6	-66.3	0	0	0	112.4	D348 H399 D424 G425 T432	D348-H428 WeakPolarHBondContact OD2-CB 3.41Å; D348-H428 IonicContact OD2-CE1 3.31Å; D348-H428 IonicContact OD2-CG 3.06Å; D348-H428 VanDerWaalsContact OD2-CG 3.31Å; D348-H428 IonicContact OD2-ND1 3.6Å; D348-H428 PolarHBondContact OD2-ND1 3.09Å; H399-H428 AromaticContact CD2-NE2 3.78Å; H399-H428 AromaticContact CE1-CD2 3.53Å; H399-H428 AromaticContact CE1-NE2 3.71Å; H399-H428 AromaticContact CG-CD2 3.82Å; H399-H428 AromaticContact CG-NE2 3.95Å; H399-H428 AromaticContact ND1-CD2 3.47Å; H399-H428 PolarHBondContact ND1-CD2 3.21Å; H399-H428 AromaticContact ND1-CG 3.98Å; H399-H428 AromaticContact ND1-NE2 3.93Å; H399-H428 AromaticContact NE2-CD2 3.99Å; H399-H428 AromaticContact NE2-NE2 3.7Å; D424-H428 PolarHBondContact O-CD2 3.19Å; D424-H428 PolarHBondContact O-N 3.16Å; D424-H428 VanDerWaalsContact O-N 3.15Å; D424-H428 IonicContact OD1-NE2 2.81Å; G425-H428 PolarHBondContact O-N 3.39Å; H428-T432 PolarHBondContact O-N 3.31Å; H428-T432 VanDerWaalsContact O-N 3.16Å; H428-T432 PolarHBondContact O-OG1 3.15Å
429	F	93.6	Very high	88.9	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-47	175.8	178.1	-101.9	0	0	0	112.8	Y370 Q372 Y375 T401 G425 K426 R427 Q431 T432 L433	Y370-F429 HydrophobicContact CD1-CB 3.85Å; Y370-F429 AromaticContact CD1-CD1 3.94Å; Y370-F429 HydrophobicContact CD1-CD1 3.94Å; Y370-F429 HydrophobicContact CD1-CD2 4.45Å; Y370-F429 AromaticContact CD1-CG 3.8Å; Y370-F429 HydrophobicContact CD1-CG 3.8Å; Y370-F429 HydrophobicContact CE1-CB 4.17Å; Y370-F429 AromaticContact CE1-CD1 3.41Å; Y370-F429 HydrophobicContact CE1-CD1 3.41Å; Y370-F429 VanDerWaalsContact CE1-CD1 3.41Å; Y370-F429 AromaticContact CE1-CE1 3.85Å; Y370-F429 HydrophobicContact CE1-CE1 3.85Å; Y370-F429 AromaticContact CE1-CG 3.79Å; Y370-F429 HydrophobicContact CE1-CG 3.79Å; Q372-F429 HydrophobicContact CB-CE1 3.99Å; Q372-F429 HydrophobicContact CB-CZ 4.01Å; Q372-F429 HydrophobicContact CG-CE1 4.33Å; Q372-F429 VanDerWaalsContact OE1-CE1 3.3Å; Y375-F429 HydrophobicContact CD1-CE2 4.41Å; Y375-F429 HydrophobicContact CD2-CE2 4Å; Y375-F429 AromaticContact CD2-CZ 3.83Å; Y375-F429 HydrophobicContact CD2-CZ 3.83Å; Y375-F429 AromaticContact CG-CE2 3.7Å; Y375-F429 HydrophobicContact CG-CE2 3.7Å; Y375-F429 HydrophobicContact CG-CZ 4.02Å; T401-F429 HydrophobicContact CG2-CD2 4.02Å; T401-F429 HydrophobicContact CG2-CE2 4.28Å; G425-F429 VanDerWaalsContact O-CB 3.31Å; G425-F429 WeakPolarHBondContact O-CB 3.28Å; G425-F429 PolarHBondContact O-N 3.19Å; K426-F429 PolarHBondContact O-N 3.39Å; R427-F429 VanDerWaalsContact C-N 3.31Å; R427-F429 PolarHBondContact O-N 3.36Å; F429-Q431 VanDerWaalsContact C-N 3.34Å; F429-Q431 PolarHBondContact O-N 3.42Å; F429-T432 WeakPolarHBondContact O-CA 3.4Å; F429-T432 WeakPolarHBondContact O-CB 3.45Å; F429-T432 PolarHBondContact O-N 3.38Å; F429-L433 HydrophobicContact CD1-CD1 4.37Å; F429-L433 HydrophobicContact CE1-CD1 3.44Å; F429-L433 VanDerWaalsContact CE1-CD1 3.44Å; F429-L433 HydrophobicContact CE1-CG 4.15Å; F429-L433 HydrophobicContact CE2-CD1 3.93Å; F429-L433 HydrophobicContact CE2-CG 4.08Å; F429-L433 HydrophobicContact CZ-CD1 3.2Å; F429-L433 HydrophobicContact CZ-CG 3.85Å; F429-L433 PolarHBondContact O-N 3.25Å; F429-L433 VanDerWaalsContact O-N 3.14Å
430	N	92.4	Very high	88.5	Confident	54 Å²	54	48.4 Å²	48.4	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-43.9	178.4	-74.1	2.1	0	0	0	111.3	K426 R427 T432 L433 E434	K426-N430 WeakPolarHBondContact O-CB 3.36Å; K426-N430 VanDerWaalsContact O-CG 3.3Å; K426-N430 PolarHBondContact O-N 2.59Å; K426-N430 PolarHBondContact O-OD1 2.89Å; R427-N430 PolarHBondContact O-N 3.49Å; N430-T432 PolarHBondContact O-N 2.95Å; N430-L433 PolarHBondContact O-N 2.96Å; N430-L433 VanDerWaalsContact O-N 3.12Å; N430-E434 WeakPolarHBondContact O-CB 3.45Å; N430-E434 VanDerWaalsContact O-CG 3.32Å; N430-E434 WeakPolarHBondContact O-CG 3.29Å; N430-E434 PolarHBondContact O-N 3.19Å
431	Q	87	Confident	88	Confident	75 Å²	75	49.3 Å²	49.3	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-26.9	174.2	-72.3	174.1	-9.8	0	0	113.1	K158 R427 F429 S435	K158-Q431 PolarHBondContact NZ-O 2.95Å; R427-Q431 WeakPolarHBondContact O-CG 3.44Å; R427-Q431 PolarHBondContact O-N 3.15Å; F429-Q431 VanDerWaalsContact C-N 3.34Å; F429-Q431 PolarHBondContact O-N 3.42Å; Q431-S435 WeakPolarHBondContact O-CB 3.39Å; Q431-S435 PolarHBondContact O-OG 3.21Å
432	T	85.8	Confident	87.5	Confident	6 Å²	6	49.4 Å²	49.4	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-78.7	-34.3	176.4	-56.1	0	0	0	0	113.1	V345 A346 T401 H428 F429 N430 S435	V345-T432 HydrophobicContact CG1-CG2 3.97Å; A346-T432 HydrophobicContact CB-CG2 3.5Å; T401-T432 HydrophobicContact CG2-CG2 4.03Å; T401-T432 PolarHBondContact OG1-OG1 3.5Å; H428-T432 PolarHBondContact O-N 3.31Å; H428-T432 VanDerWaalsContact O-N 3.16Å; H428-T432 PolarHBondContact O-OG1 3.15Å; F429-T432 WeakPolarHBondContact O-CA 3.4Å; F429-T432 WeakPolarHBondContact O-CB 3.45Å; F429-T432 PolarHBondContact O-N 3.38Å; N430-T432 PolarHBondContact O-N 2.95Å; T432-S435 PolarHBondContact O-OG 2.97Å
433	L	80.2	Confident	86.8	Confident	80 Å²	80	51.4 Å²	51.4	42%	0.419	26%	0.263	S	S	.	.	H	α-helix	trans	-91.1	-20.6	-178	-70.7	-167.6	0	0	0	114.2	Y375 F429 N430	Y375-L433 HydrophobicContact CE2-CD2 4.46Å; F429-L433 HydrophobicContact CD1-CD1 4.37Å; F429-L433 HydrophobicContact CE1-CD1 3.44Å; F429-L433 VanDerWaalsContact CE1-CD1 3.44Å; F429-L433 HydrophobicContact CE1-CG 4.15Å; F429-L433 HydrophobicContact CE2-CD1 3.93Å; F429-L433 HydrophobicContact CE2-CG 4.08Å; F429-L433 HydrophobicContact CZ-CD1 3.2Å; F429-L433 HydrophobicContact CZ-CG 3.85Å; F429-L433 PolarHBondContact O-N 3.25Å; F429-L433 VanDerWaalsContact O-N 3.14Å; N430-L433 PolarHBondContact O-N 2.96Å; N430-L433 VanDerWaalsContact O-N 3.12Å
434	E	69.1	Low	86.1	Confident	157 Å²	157	55.7 Å²	55.7	73%	0.734	29%	0.285	S	S	*	.			trans	-85	-16.3	176.9	-69	171.5	-171.2	0	0	112.8	N430	N430-E434 WeakPolarHBondContact O-CB 3.45Å; N430-E434 VanDerWaalsContact O-CG 3.32Å; N430-E434 WeakPolarHBondContact O-CG 3.29Å; N430-E434 PolarHBondContact O-N 3.19Å
435	S	56.4	Low	85.4	Confident	115 Å²	115	57.9 Å²	57.9	80%	0.804	30%	0.296	S	S	*	.			trans	-86.4	0	173.2	61.6	0	0	0	0	111.9	K158 Q431 T432	K158-S435 PolarHBondContact NZ-OG 3.25Å; Q431-S435 WeakPolarHBondContact O-CB 3.39Å; Q431-S435 PolarHBondContact O-OG 3.21Å; T432-S435 PolarHBondContact O-OG 2.97Å

Retrieved 435 of 435 residues in 936.8 ms (Link to these results)

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