A0A087XRS1_POEFO Loading...

MBL associated serine protease 1

AlphaFold DB , UniProt , Accession A0A087XRS1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 708 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	35.8	Very low	33.9	Very low	240 Å²	240	170.5 Å²	170.5	100%	1.182	85%	0.852	S	S	*	*				0	121.3	0	-91.3	160.1	76.9	0	0	108.2
2	R	34.9	Very low	34	Very low	226 Å²	226	171.5 Å²	171.5	85%	0.853	85%	0.848	S	S	*	*			trans	-73	133.9	173.1	-75.6	176.7	168.5	177.4	-4.2	109.2
3	V	32.3	Very low	33.8	Very low	125 Å²	125	163.5 Å²	163.5	76%	0.758	84%	0.837	S	S	*	*			trans	-132.4	107.9	151.5	178.9	0	0	0	0	106.9	L5	V3-L5 HydrophobicContact CG1-CD1 4.02Å
4	F	33.6	Very low	34.2	Very low	175 Å²	175	161.1 Å²	161.1	77%	0.768	84%	0.84	S	S	*	*			trans	-77.4	130.2	163.2	-96.4	-96.4	0	0	0	107.5
5	L	35.2	Very low	35.2	Very low	151 Å²	151	157.7 Å²	157.7	79%	0.791	84%	0.835	S	S	*	*			trans	-118.8	120.6	159	-117.5	103.2	0	0	0	108.5	V3	V3-L5 HydrophobicContact CG1-CD1 4.02Å
6	L	36.1	Very low	36.8	Very low	166 Å²	166	151.4 Å²	151.4	87%	0.869	81%	0.812	S	S	*	*			trans	-56.6	132.3	170.2	-91.2	78.5	0	0	0	110.1
7	S	31	Very low	39.2	Very low	118 Å²	118	147.2 Å²	147.2	83%	0.825	79%	0.787	S	S	*	*			trans	-107.7	127.8	164.9	9.4	0	0	0	0	109.5
8	L	33.4	Very low	41.5	Very low	166 Å²	166	145.5 Å²	145.5	87%	0.869	78%	0.777	S	S	*	*			trans	-63.1	137.1	177.6	-121.3	76.6	0	0	0	111.1
9	L	34.4	Very low	43.8	Very low	161 Å²	161	141.6 Å²	141.6	84%	0.843	75%	0.75	S	S	*	*			trans	-74	121.6	169	-81.7	151.1	0	0	0	110.6
10	V	31.5	Very low	45.9	Very low	135 Å²	135	139.2 Å²	139.2	82%	0.818	75%	0.745	S	S	*	*			trans	-128.2	124.6	156.9	-179.3	0	0	0	0	107.6
11	R	35	Very low	48	Very low	212 Å²	212	138.1 Å²	138.1	80%	0.8	74%	0.735	S	S	*	*			trans	-122.1	141.3	169.4	-91.7	-175.2	180	-169.5	1.8	104.6
12	F	34.6	Very low	50.6	Low	183 Å²	183	130.5 Å²	130.5	80%	0.803	70%	0.698	S	S	*	*			cis	-161.6	155.2	23.3	-128	-81.7	0	0	0	107.5
13	G	31	Very low	53.5	Low	68 Å²	68	128 Å²	128	70%	0.701	69%	0.69	S	S	*	*	S	Bend	trans	148.8	96.4	156.3	0	0	0	0	0	115.6
14	C	40.3	Very low	56.4	Low	130 Å²	130	122.9 Å²	122.9	88%	0.878	66%	0.663	S	S	*	*			trans	75.9	83	176.3	-136.7	0	0	0	0	115.6
15	S	49	Very low	59.3	Low	109 Å²	109	117.1 Å²	117.1	76%	0.762	64%	0.644	S	S	*	*			trans	-116.6	108.7	166.1	-170.7	0	0	0	0	108.2	Q17	S15-Q17 PolarHBondContact O-N 2.69Å
16	A	61.1	Low	62.1	Low	58 Å²	58	110 Å²	110	48%	0.479	61%	0.607	S	S	.	*			trans	-59	131.4	155.5	0	0	0	0	0	107.4	N42	A16-N42 WeakPolarHBondContact CA-O 3.5Å; A16-N42 HydrophobicContact CB-CB 4.3Å
17	Q	77.4	Confident	64.9	Low	80 Å²	80	106.7 Å²	106.7	37%	0.374	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.9	107.4	-178.6	-171.9	164.3	27.1	0	0	109	S15 R19 N42 W43 T44	S15-Q17 PolarHBondContact O-N 2.69Å; Q17-R19 VanDerWaalsContact NE2-NH1 3.1Å; Q17-N42 PolarHBondContact N-O 2.87Å; Q17-W43 WeakPolarHBondContact O-CA 3.2Å; Q17-T44 PolarHBondContact O-N 2.66Å
18	L	80.6	Confident	67.8	Low	116 Å²	116	101.2 Å²	101.2	61%	0.607	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.6	173.4	-174.6	68.3	0	0	0	109.6	T44	L18-T44 CarbonylContact C-O 3.46Å; L18-T44 WeakPolarHBondContact CA-O 3.09Å; L18-T44 HydrophobicContact CD1-CG2 4.12Å
19	R	85.4	Confident	70.6	Confident	72 Å²	72	94.3 Å²	94.3	27%	0.272	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.1	174.1	-64.5	-58.7	-169.7	-163.7	7.3	108.7	Q17 T44 I45 S46	Q17-R19 VanDerWaalsContact NE2-NH1 3.1Å; R19-T44 PolarHBondContact N-O 2.85Å; R19-I45 HydrophobicContact CB-CG1 4.43Å; R19-I45 WeakPolarHBondContact O-CA 3.46Å; R19-S46 PolarHBondContact O-N 3.08Å
20	S	85.8	Confident	73.4	Confident	93 Å²	93	91.4 Å²	91.4	65%	0.65	50%	0.499	S	S	*	.			trans	-112.1	12.5	-179.2	64	0	0	0	0	113.5	S46	S20-S46 WeakPolarHBondContact CA-O 3.24Å
21	E	89.6	Confident	76.2	Confident	116 Å²	116	87.6 Å²	87.6	54%	0.542	47%	0.472	S	S	.	.	S	Bend	trans	-84.9	148	-179.1	-65	175.2	-170.6	0	0	110.2	Y23 Y130	E21-Y23 WeakPolarHBondContact CB-O 3.18Å; E21-Y23 PolarHBondContact O-N 2.81Å; E21-Y130 WeakPolarHBondContact O-CE2 3.39Å
22	M	90.6	Very high	78.8	Confident	80 Å²	80	82 Å²	82	39%	0.394	46%	0.462	S	S	.	.	S	Bend	trans	-70.2	-12.8	-179.9	-66.2	-65	-129.3	0	0	113.4	P48 F51 S131 A132	M22-P48 HydrophobicContact CE-CG 4.11Å; M22-P48 HydrophobicContact SD-CG 4.24Å; M22-F51 HydrophobicContact CE-CD1 4.3Å; M22-F51 HydrophobicContact CE-CD2 4.17Å; M22-F51 HydrophobicContact CE-CE1 3.86Å; M22-F51 HydrophobicContact CE-CE2 3.69Å; M22-F51 HydrophobicContact CE-CG 4.45Å; M22-F51 HydrophobicContact CE-CZ 3.52Å; M22-S131 CarbonylContact O-C 3.48Å; M22-S131 WeakPolarHBondContact O-CA 3.42Å; M22-A132 HydrophobicContact CB-CB 4.17Å; M22-A132 WeakPolarHBondContact O-CB 3.06Å; M22-A132 PolarHBondContact O-N 3.23Å; M22-A132 HydrophobicContact SD-CB 3.65Å
23	Y	94.8	Very high	81.6	Confident	174 Å²	174	78.6 Å²	78.6	68%	0.682	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.8	161.2	172.1	64	-84	0	0	0	108.9	E21 Y130	E21-Y23 WeakPolarHBondContact CB-O 3.18Å; E21-Y23 PolarHBondContact O-N 2.81Å; Y23-Y130 CarbonylContact C-O 3.51Å; Y23-Y130 WeakPolarHBondContact CA-O 3.45Å
24	G	94.1	Very high	84.5	Confident	18 Å²	18	78 Å²	78	19%	0.186	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-179.6	175.4	0	0	0	0	0	112.9	H129 Y130	G24-H129 WeakPolarHBondContact O-CA 3.29Å; G24-Y130 PolarHBondContact N-O 2.92Å; G24-Y130 WeakPolarHBondContact O-CD1 3.43Å; G24-Y130 PolarHBondContact O-N 3Å
25	S	93.7	Very high	86.9	Confident	54 Å²	54	72.1 Å²	72.1	38%	0.378	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.3	172.8	57.2	0	0	0	0	111.5	A128	S25-A128 CarbonylContact C-O 3.56Å; S25-A128 WeakPolarHBondContact CA-O 3.36Å
26	L	94.4	Very high	88.8	Confident	2 Å²	2	69 Å²	69	1%	0.01	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.9	171.6	-54.7	-179.1	0	0	0	107.8	W43 I45 V111 F126 V127 A128 Y130	L26-W43 HydrophobicContact CD1-CB 4Å; L26-W43 HydrophobicContact CD1-CD2 4.25Å; L26-W43 HydrophobicContact CD1-CE3 4.39Å; L26-W43 HydrophobicContact CD1-CG 4.11Å; L26-W43 HydrophobicContact CD2-CB 4.08Å; L26-W43 HydrophobicContact CD2-CD2 4.19Å; L26-W43 HydrophobicContact CD2-CG 3.71Å; L26-W43 HydrophobicContact CG-CG 4.46Å; L26-I45 HydrophobicContact CD1-CD1 4.14Å; L26-V111 HydrophobicContact CD1-CB 3.99Å; L26-V111 HydrophobicContact CD1-CG1 4.24Å; L26-V111 HydrophobicContact CD1-CG2 3.95Å; L26-F126 HydrophobicContact CB-CE2 4.33Å; L26-V127 WeakPolarHBondContact O-CA 3.38Å; L26-A128 HydrophobicContact CB-CB 4.36Å; L26-A128 PolarHBondContact N-O 2.79Å; L26-A128 PolarHBondContact O-N 2.88Å; L26-Y130 HydrophobicContact CD2-CE1 4.15Å; L26-Y130 HydrophobicContact CG-CD1 4.22Å; L26-Y130 HydrophobicContact CG-CE1 4.34Å
27	E	94.5	Very high	90.2	Very high	95 Å²	95	69.2 Å²	69.2	44%	0.444	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.7	-178.2	-62.6	176.3	-171.4	0	0	109.2	F31 F126 V127	E27-F31 HydrophobicContact CB-CB 4.2Å; E27-F126 WeakPolarHBondContact CA-O 3.46Å; E27-V127 HydrophobicContact CG-CG1 4.2Å; E27-V127 HydrophobicContact CG-CG2 4.21Å
28	S	93.5	Very high	90.8	Very high	3 Å²	3	72 Å²	72	2%	0.021	39%	0.386	C	S	.	.			trans	-60.7	149.8	167.9	51.4	0	0	0	0	110.6	N30 F31 G125 F126	S28-N30 PolarHBondContact O-N 3.18Å; S28-F31 WeakPolarHBondContact O-CB 3.16Å; S28-F31 PolarHBondContact O-N 3.32Å; S28-G125 VanDerWaalsContact OG-CA 3.32Å; S28-G125 WeakPolarHBondContact OG-CA 3.36Å; S28-F126 PolarHBondContact N-O 2.8Å; S28-F126 PolarHBondContact OG-N 2.85Å; S28-F126 PolarHBondContact OG-O 2.59Å
29	P	92.3	Very high	91.2	Very high	21 Å²	21	67.3 Å²	67.3	14%	0.136	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	136.1	178.8	-21.8	33.2	0	0	0	111.5	F31 Y35 P36 T39 R41 F113	P29-F31 VanDerWaalsContact C-N 3.28Å; P29-F31 PolarHBondContact O-N 3.15Å; P29-Y35 WeakPolarHBondContact O-CA 3.39Å; P29-P36 HydrophobicContact CB-CG 4.06Å; P29-T39 HydrophobicContact CG-CG2 3.93Å; P29-R41 HydrophobicContact CG-CG 3.87Å; P29-F113 HydrophobicContact CG-CE1 4.42Å
30	N	91.4	Very high	91.6	Very high	101 Å²	101	70.5 Å²	70.5	54%	0.54	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	2	-177.5	-52.3	-26.5	0	0	0	116.7	S28 D33	S28-N30 PolarHBondContact O-N 3.18Å; N30-D33 CarbonylContact C-O 3.57Å; N30-D33 HydrophobicContact CB-CB 4.36Å; N30-D33 WeakPolarHBondContact O-CA 2.8Å; N30-D33 VanDerWaalsContact O-CB 3.3Å; N30-D33 WeakPolarHBondContact O-CB 2.86Å; N30-D33 PolarHBondContact O-N 2.97Å
31	F	90.3	Very high	91.9	Very high	55 Å²	55	71.2 Å²	71.2	24%	0.241	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	133.5	176.9	-172.2	-89.3	0	0	0	111.6	E27 S28 P29 H59 S124 V127	E27-F31 HydrophobicContact CB-CB 4.2Å; S28-F31 WeakPolarHBondContact O-CB 3.16Å; S28-F31 PolarHBondContact O-N 3.32Å; P29-F31 VanDerWaalsContact C-N 3.28Å; P29-F31 PolarHBondContact O-N 3.15Å; F31-H59 HydrophobicContact CE2-CB 4.49Å; F31-H59 AromaticContact CE2-CD2 3.51Å; F31-H59 AromaticContact CE2-NE2 3.99Å; F31-H59 HydrophobicContact CZ-CB 4.44Å; F31-S124 WeakPolarHBondContact CD2-O 3.47Å; F31-V127 HydrophobicContact CD1-CG2 3.57Å; F31-V127 HydrophobicContact CD2-CG2 3.94Å; F31-V127 HydrophobicContact CE1-CG2 3.24Å; F31-V127 HydrophobicContact CE2-CG2 3.66Å; F31-V127 HydrophobicContact CG-CG2 3.93Å; F31-V127 HydrophobicContact CZ-CG2 3.29Å
32	P	91.3	Very high	92.1	Very high	94 Å²	94	68.2 Å²	68.2	61%	0.61	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.2	2.5	8.9	36.2	-37.4	0	0	0	115.7
33	D	92.6	Very high	92.3	Very high	112 Å²	112	65.2 Å²	65.2	60%	0.599	33%	0.334	S	S	*	.	S	Bend	trans	-76.3	160.6	174.9	-65	-48.7	0	0	0	111.5	N30 Y35	N30-D33 CarbonylContact C-O 3.57Å; N30-D33 HydrophobicContact CB-CB 4.36Å; N30-D33 WeakPolarHBondContact O-CA 2.8Å; N30-D33 VanDerWaalsContact O-CB 3.3Å; N30-D33 WeakPolarHBondContact O-CB 2.86Å; N30-D33 PolarHBondContact O-N 2.97Å; D33-Y35 PolarHBondContact O-N 2.8Å
34	P	91.1	Very high	92.3	Very high	55 Å²	55	58.7 Å²	58.7	36%	0.357	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-57	139.3	-178	-26.2	34.9	0	0	0	114.1	R122 F123	P34-R122 HydrophobicContact CB-CB 4.49Å; P34-R122 HydrophobicContact CG-CB 3.95Å; P34-R122 HydrophobicContact CG-CG 4.33Å; P34-F123 WeakPolarHBondContact CA-O 3.36Å; P34-F123 WeakPolarHBondContact CB-O 3.49Å
35	Y	91.2	Very high	92.3	Very high	6 Å²	6	57.8 Å²	57.8	2%	0.024	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-71.5	149	-179.5	60.4	-100.3	0	0	0	111.9	P29 D33 L62 E63 D71 F113 N119 F123	P29-Y35 WeakPolarHBondContact O-CA 3.39Å; D33-Y35 PolarHBondContact O-N 2.8Å; Y35-L62 HydrophobicContact CE1-CG 4.25Å; Y35-E63 PolarHBondContact OH-N 3.4Å; Y35-D71 WeakPolarHBondContact CE2-OD2 3.36Å; Y35-D71 PolarHBondContact OH-OD2 3.2Å; Y35-F113 HydrophobicContact CD1-CZ 4.26Å; Y35-F113 HydrophobicContact CD2-CE1 4.44Å; Y35-F113 AromaticContact CD2-CZ 3.67Å; Y35-F113 HydrophobicContact CD2-CZ 3.67Å; Y35-F113 HydrophobicContact CE2-CZ 4.05Å; Y35-F113 HydrophobicContact CG-CE1 4.5Å; Y35-F113 AromaticContact CG-CZ 3.78Å; Y35-F113 HydrophobicContact CG-CZ 3.78Å; Y35-N119 WeakPolarHBondContact CD2-ND2 3.4Å; Y35-N119 WeakPolarHBondContact CE2-ND2 3.44Å; Y35-N119 PolarHBondContact O-ND2 2.79Å; Y35-F123 HydrophobicContact CD1-CB 4.26Å; Y35-F123 WeakPolarHBondContact CD1-O 3.43Å; Y35-F123 HydrophobicContact CE1-CB 3.36Å; Y35-F123 HydrophobicContact CE1-CG 4.44Å; Y35-F123 PolarHBondContact N-O 3.3Å
36	P	89.7	Confident	92.3	Very high	44 Å²	44	57.1 Å²	57.1	29%	0.286	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-72.7	150.3	178.4	27.6	-30.3	0	0	0	112.1	P29 T39 S115	P29-P36 HydrophobicContact CB-CG 4.06Å; P36-T39 HydrophobicContact CG-CG2 4.3Å; P36-T39 WeakPolarHBondContact CG-OG1 3.32Å; P36-T39 PolarHBondContact O-OG1 3.04Å; P36-S115 PolarHBondContact O-OG 3.44Å
37	T	90.3	Very high	92.3	Very high	63 Å²	63	57.3 Å²	57.3	39%	0.387	30%	0.301	S	S	.	.	S	Bend	trans	-71.3	166	169	53.5	0	0	0	0	111.4	T39 D116 N119	T37-T39 PolarHBondContact O-N 3.16Å; T37-T39 PolarHBondContact O-OG1 2.79Å; T37-D116 CarbonylContact C-O 3.48Å; T37-D116 WeakPolarHBondContact CA-O 3.46Å; T37-D116 VanDerWaalsContact CB-O 3.27Å; T37-D116 WeakPolarHBondContact CB-O 3.24Å; T37-N119 HydrophobicContact CG2-CB 3.84Å
38	D	89.8	Confident	92.2	Very high	139 Å²	139	56.1 Å²	56.1	74%	0.743	30%	0.301	S	S	*	.	S	Bend	trans	49.7	42.8	179.6	-166.6	29.8	0	0	0	112.8	S115 D116	D38-S115 WeakPolarHBondContact CA-O 3.18Å; D38-D116 PolarHBondContact N-O 2.98Å
39	T	89.2	Confident	92.1	Very high	16 Å²	16	62 Å²	62	10%	0.098	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.2	-172.7	-64.8	0	0	0	0	111.7	P29 P36 T37 R41 V114 S115	P29-T39 HydrophobicContact CG-CG2 3.93Å; P36-T39 HydrophobicContact CG-CG2 4.3Å; P36-T39 WeakPolarHBondContact CG-OG1 3.32Å; P36-T39 PolarHBondContact O-OG1 3.04Å; T37-T39 PolarHBondContact O-N 3.16Å; T37-T39 PolarHBondContact O-OG1 2.79Å; T39-R41 HydrophobicContact CG2-CG 4.24Å; T39-V114 CarbonylContact O-C 3.54Å; T39-V114 WeakPolarHBondContact O-CA 3.19Å; T39-S115 WeakPolarHBondContact CB-OG 3.43Å; T39-S115 PolarHBondContact N-O 2.79Å; T39-S115 PolarHBondContact N-OG 2.94Å; T39-S115 PolarHBondContact O-N 2.82Å; T39-S115 PolarHBondContact O-OG 2.89Å
40	R	93.2	Very high	91.9	Very high	140 Å²	140	61.6 Å²	61.6	53%	0.528	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.2	170.5	-175.2	174.2	-68.3	-123.4	4.2	110.9	Q112 F113 V114	R40-Q112 VanDerWaalsContact NH1-NE2 3.13Å; R40-F113 WeakPolarHBondContact CA-O 3.44Å; R40-V114 HydrophobicContact CG-CG2 4.27Å
41	R	93.5	Very high	91.9	Very high	107 Å²	107	57.6 Å²	57.6	40%	0.404	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.9	172.1	-67	-65.8	178.8	-95.4	-2	109.9	P29 T39 W43 Q112 F113	P29-R41 HydrophobicContact CG-CG 3.87Å; T39-R41 HydrophobicContact CG2-CG 4.24Å; R41-W43 HydrophobicContact CB-CE3 4.38Å; R41-W43 HydrophobicContact CB-CH2 3.43Å; R41-W43 VanDerWaalsContact CB-CH2 3.43Å; R41-W43 HydrophobicContact CB-CZ2 3.78Å; R41-W43 HydrophobicContact CB-CZ3 3.74Å; R41-W43 HydrophobicContact CG-CH2 4.13Å; R41-W43 HydrophobicContact CG-CZ2 4.27Å; R41-Q112 CarbonylContact O-C 3.52Å; R41-Q112 WeakPolarHBondContact O-CA 3.33Å; R41-F113 HydrophobicContact CB-CB 4.41Å; R41-F113 PolarHBondContact N-O 3.41Å; R41-F113 PolarHBondContact O-N 2.82Å
42	N	93.4	Very high	92.1	Very high	54 Å²	54	58.5 Å²	58.5	29%	0.289	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.3	176.9	-62.9	-2.9	0	0	0	108.2	A16 Q17 V111 Q112	A16-N42 WeakPolarHBondContact CA-O 3.5Å; A16-N42 HydrophobicContact CB-CB 4.3Å; Q17-N42 PolarHBondContact N-O 2.87Å; N42-V111 WeakPolarHBondContact CA-O 3.4Å; N42-Q112 PolarHBondContact ND2-NE2 2.94Å; N42-Q112 WeakPolarHBondContact OD1-CG 3.41Å; N42-Q112 PolarHBondContact OD1-NE2 2.81Å
43	W	94.6	Very high	92.2	Very high	16 Å²	16	54 Å²	54	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.4	170.4	-59.6	-84.8	0	0	0	108.8	Q17 L26 R41 S110 V111 F113 F126	Q17-W43 WeakPolarHBondContact O-CA 3.2Å; L26-W43 HydrophobicContact CD1-CB 4Å; L26-W43 HydrophobicContact CD1-CD2 4.25Å; L26-W43 HydrophobicContact CD1-CE3 4.39Å; L26-W43 HydrophobicContact CD1-CG 4.11Å; L26-W43 HydrophobicContact CD2-CB 4.08Å; L26-W43 HydrophobicContact CD2-CD2 4.19Å; L26-W43 HydrophobicContact CD2-CG 3.71Å; L26-W43 HydrophobicContact CG-CG 4.46Å; R41-W43 HydrophobicContact CB-CE3 4.38Å; R41-W43 HydrophobicContact CB-CH2 3.43Å; R41-W43 VanDerWaalsContact CB-CH2 3.43Å; R41-W43 HydrophobicContact CB-CZ2 3.78Å; R41-W43 HydrophobicContact CB-CZ3 3.74Å; R41-W43 HydrophobicContact CG-CH2 4.13Å; R41-W43 HydrophobicContact CG-CZ2 4.27Å; W43-S110 CarbonylContact O-C 3.59Å; W43-S110 WeakPolarHBondContact O-CA 3.2Å; W43-V111 HydrophobicContact CE3-CB 4.34Å; W43-V111 HydrophobicContact CE3-CG1 4.24Å; W43-V111 PolarHBondContact N-O 3.24Å; W43-V111 PolarHBondContact O-N 2.78Å; W43-F113 HydrophobicContact CH2-CB 4.22Å; W43-F113 HydrophobicContact CZ3-CB 3.81Å; W43-F126 AromaticContact CH2-CZ 3.89Å; W43-F126 HydrophobicContact CH2-CZ 3.89Å; W43-F126 AromaticContact CZ3-CZ 3.76Å; W43-F126 HydrophobicContact CZ3-CZ 3.76Å
44	T	93.8	Very high	92.4	Very high	37 Å²	37	49.7 Å²	49.7	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.7	170.3	-59.1	0	0	0	0	106.9	Q17 L18 R19 T108 S110	Q17-T44 PolarHBondContact O-N 2.66Å; L18-T44 CarbonylContact C-O 3.46Å; L18-T44 WeakPolarHBondContact CA-O 3.09Å; L18-T44 HydrophobicContact CD1-CG2 4.12Å; R19-T44 PolarHBondContact N-O 2.85Å; T44-T108 HydrophobicContact CG2-CG2 3.96Å; T44-S110 PolarHBondContact OG1-OG 2.9Å
45	I	94.6	Very high	92.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.4	176.1	-51.5	164.2	0	0	0	106.7	R19 L26 I53 T108 L109 V111 Y130	R19-I45 HydrophobicContact CB-CG1 4.43Å; R19-I45 WeakPolarHBondContact O-CA 3.46Å; L26-I45 HydrophobicContact CD1-CD1 4.14Å; I45-I53 HydrophobicContact CB-CD1 3.97Å; I45-I53 HydrophobicContact CD1-CG2 4.42Å; I45-I53 HydrophobicContact CG2-CD1 3.68Å; I45-I53 HydrophobicContact CG2-CG1 4.24Å; I45-I53 HydrophobicContact CG2-CG2 4.14Å; I45-I53 WeakPolarHBondContact O-CD1 3.18Å; I45-T108 CarbonylContact O-C 3.59Å; I45-T108 WeakPolarHBondContact O-CA 3.46Å; I45-L109 HydrophobicContact CB-CB 4.49Å; I45-L109 HydrophobicContact CD1-CD2 4.48Å; I45-L109 PolarHBondContact N-O 3.49Å; I45-L109 PolarHBondContact O-N 3.5Å; I45-V111 HydrophobicContact CD1-CG2 4.37Å; I45-Y130 HydrophobicContact CD1-CD1 3.71Å; I45-Y130 HydrophobicContact CD1-CD2 4.21Å; I45-Y130 HydrophobicContact CD1-CE1 4.29Å; I45-Y130 HydrophobicContact CD1-CG 3.67Å; I45-Y130 HydrophobicContact CG1-CD1 4.3Å; I45-Y130 HydrophobicContact CG1-CE1 4.39Å; I45-Y130 HydrophobicContact CG1-CG 4.4Å; I45-Y130 HydrophobicContact CG2-CD2 3.62Å; I45-Y130 HydrophobicContact CG2-CE2 3.66Å; I45-Y130 HydrophobicContact CG2-CG 4.21Å
46	S	93.9	Very high	92.7	Very high	40 Å²	40	50.8 Å²	50.8	28%	0.28	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123	177.3	180	0	0	0	0	108.9	R19 S20 N107	R19-S46 PolarHBondContact O-N 3.08Å; S20-S46 WeakPolarHBondContact CA-O 3.24Å; S46-N107 WeakPolarHBondContact CA-O 3.3Å
47	V	93.8	Very high	92.8	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	25%	0.25	C	C	.	.			trans	-110.2	163.4	177.2	-63	0	0	0	0	109.1	F51 I53 N107 A132	V47-F51 HydrophobicContact CB-CB 4.26Å; V47-F51 HydrophobicContact CG2-CB 3.63Å; V47-I53 HydrophobicContact CB-CG1 4.43Å; V47-I53 HydrophobicContact CG1-CD1 4.32Å; V47-I53 HydrophobicContact CG1-CG1 3.89Å; V47-I53 HydrophobicContact CG2-CD1 4.14Å; V47-I53 HydrophobicContact CG2-CG1 3.65Å; V47-N107 HydrophobicContact CG2-CB 3.91Å; V47-N107 WeakPolarHBondContact CG2-O 3.36Å; V47-N107 PolarHBondContact N-O 3.29Å; V47-N107 WeakPolarHBondContact O-CB 3.21Å; V47-N107 PolarHBondContact O-ND2 3.34Å; V47-A132 HydrophobicContact CB-CB 4.17Å; V47-A132 HydrophobicContact CG1-CB 3.79Å
48	P	93.8	Very high	92.9	Very high	69 Å²	69	50 Å²	50	45%	0.448	26%	0.255	S	S	.	.			trans	-54.9	157	175.3	-25.1	35.5	0	0	0	112.5	M22 F51	M22-P48 HydrophobicContact CE-CG 4.11Å; M22-P48 HydrophobicContact SD-CG 4.24Å; P48-F51 HydrophobicContact CB-CD2 4.09Å; P48-F51 HydrophobicContact CB-CE2 4.33Å; P48-F51 PolarHBondContact O-N 2.97Å
49	D	89.7	Confident	93	Very high	126 Å²	126	46.7 Å²	46.7	67%	0.674	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	150.4	168.9	-62.3	-39.1	0	0	0	110.2	F51 N107	D49-F51 VanDerWaalsContact C-N 3.33Å; D49-N107 PolarHBondContact OD1-ND2 2.84Å
50	G	88.7	Confident	93.1	Very high	14 Å²	14	46.6 Å²	46.6	14%	0.144	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-2.1	-170	0	0	0	0	0	114.2	I135	G50-I135 WeakPolarHBondContact O-CB 3.42Å; G50-I135 PolarHBondContact O-N 3.25Å
51	F	92.3	Very high	93	Very high	17 Å²	17	40.3 Å²	40.3	8%	0.075	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	152	175.6	-62.8	-94.8	0	0	0	112.1	M22 V47 P48 D49 N107 A132 V133 D134 I156	M22-F51 HydrophobicContact CE-CD1 4.3Å; M22-F51 HydrophobicContact CE-CD2 4.17Å; M22-F51 HydrophobicContact CE-CE1 3.86Å; M22-F51 HydrophobicContact CE-CE2 3.69Å; M22-F51 HydrophobicContact CE-CG 4.45Å; M22-F51 HydrophobicContact CE-CZ 3.52Å; V47-F51 HydrophobicContact CB-CB 4.26Å; V47-F51 HydrophobicContact CG2-CB 3.63Å; P48-F51 HydrophobicContact CB-CD2 4.09Å; P48-F51 HydrophobicContact CB-CE2 4.33Å; P48-F51 PolarHBondContact O-N 2.97Å; D49-F51 VanDerWaalsContact C-N 3.33Å; F51-N107 VanDerWaalsContact O-CA 3.31Å; F51-N107 WeakPolarHBondContact O-CA 3.01Å; F51-N107 WeakPolarHBondContact O-CB 3.32Å; F51-A132 HydrophobicContact CB-CB 4.28Å; F51-A132 HydrophobicContact CD1-CB 3.94Å; F51-A132 HydrophobicContact CG-CB 4.32Å; F51-V133 CarbonylContact C-O 3.55Å; F51-V133 WeakPolarHBondContact CA-O 3.08Å; F51-D134 HydrophobicContact CD1-CB 4.42Å; F51-D134 HydrophobicContact CE1-CB 4.23Å; F51-I156 HydrophobicContact CE1-CG2 3.88Å; F51-I156 HydrophobicContact CZ-CG2 3.59Å
52	R	93.1	Very high	92.9	Very high	73 Å²	73	35.2 Å²	35.2	28%	0.275	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	164.7	163.8	66.1	-171.1	-174.5	-162.5	-6.4	110.4	T103 S104 A132 V133 I135 E140	R52-T103 HydrophobicContact CB-CG2 4.47Å; R52-T103 VanDerWaalsContact CD-CG2 3.45Å; R52-T103 HydrophobicContact CG-CG2 3.91Å; R52-S104 WeakPolarHBondContact CB-O 3.03Å; R52-A132 CarbonylContact O-C 3.5Å; R52-A132 WeakPolarHBondContact O-CA 3.34Å; R52-V133 HydrophobicContact CG-CB 4.2Å; R52-V133 PolarHBondContact N-O 3.39Å; R52-V133 PolarHBondContact O-N 3.3Å; R52-I135 HydrophobicContact CB-CD1 4.38Å; R52-I135 HydrophobicContact CB-CG1 4.24Å; R52-I135 HydrophobicContact CG-CG1 4.29Å; R52-E140 IonicContact CZ-OE1 3.67Å; R52-E140 IonicContact NH1-OE1 2.81Å; R52-E140 PolarHBondContact NH1-OE1 3.5Å; R52-E140 IonicContact NH1-OE2 3.86Å; R52-E140 IonicContact NH2-OE1 3.8Å
53	I	95	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.5	-175.7	-59.2	160.3	0	0	0	108.3	I45 V47 T103 S104 N107 L109	I45-I53 HydrophobicContact CB-CD1 3.97Å; I45-I53 HydrophobicContact CD1-CG2 4.42Å; I45-I53 HydrophobicContact CG2-CD1 3.68Å; I45-I53 HydrophobicContact CG2-CG1 4.24Å; I45-I53 HydrophobicContact CG2-CG2 4.14Å; I45-I53 WeakPolarHBondContact O-CD1 3.18Å; V47-I53 HydrophobicContact CB-CG1 4.43Å; V47-I53 HydrophobicContact CG1-CD1 4.32Å; V47-I53 HydrophobicContact CG1-CG1 3.89Å; V47-I53 HydrophobicContact CG2-CD1 4.14Å; V47-I53 HydrophobicContact CG2-CG1 3.65Å; I53-T103 CarbonylContact O-C 3.5Å; I53-T103 WeakPolarHBondContact O-CA 3.4Å; I53-S104 WeakPolarHBondContact CB-OG 3.38Å; I53-S104 PolarHBondContact N-OG 3.16Å; I53-S104 PolarHBondContact O-N 2.81Å; I53-S104 PolarHBondContact O-OG 3.38Å; I53-N107 WeakPolarHBondContact CD1-O 3.33Å; I53-L109 HydrophobicContact CB-CB 4.22Å; I53-L109 HydrophobicContact CB-CD2 4.31Å; I53-L109 HydrophobicContact CD1-CB 3.72Å; I53-L109 HydrophobicContact CG2-CB 4.23Å; I53-L109 HydrophobicContact CG2-CD2 3.78Å
54	T	95.3	Very high	92.4	Very high	21 Å²	21	35.7 Å²	35.7	13%	0.129	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130	167	55	0	0	0	0	109.5	V101 I102 T103 Y130 S131 V133	T54-V101 HydrophobicContact CG2-CG1 4.13Å; T54-I102 CarbonylContact C-O 3.54Å; T54-I102 VanDerWaalsContact CA-O 3.3Å; T54-I102 WeakPolarHBondContact CA-O 3.46Å; T54-T103 HydrophobicContact CG2-CG2 4.17Å; T54-Y130 CarbonylContact O-C 3.52Å; T54-Y130 WeakPolarHBondContact O-CA 3.15Å; T54-S131 PolarHBondContact N-O 3.04Å; T54-S131 PolarHBondContact O-N 3.17Å; T54-S131 PolarHBondContact OG1-O 3.4Å; T54-S131 PolarHBondContact OG1-OG 3.43Å; T54-V133 HydrophobicContact CG2-CB 4.41Å; T54-V133 HydrophobicContact CG2-CG2 3.59Å
55	L	94.6	Very high	92.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.5	178.5	-179.7	78.4	0	0	0	109.3	F57 V75 I102 L109 V111 A128 H129	L55-F57 HydrophobicContact CD2-CE2 4.17Å; L55-F57 HydrophobicContact CD2-CZ 4.27Å; L55-V75 HydrophobicContact CD2-CG1 4.07Å; L55-V75 HydrophobicContact CD2-CG2 3.82Å; L55-I102 HydrophobicContact CB-CB 4.44Å; L55-I102 HydrophobicContact CD2-CD1 4.43Å; L55-I102 PolarHBondContact N-O 2.54Å; L55-I102 PolarHBondContact O-N 3.22Å; L55-L109 HydrophobicContact CB-CD2 3.82Å; L55-L109 HydrophobicContact CD2-CD2 4.16Å; L55-V111 HydrophobicContact CD2-CG2 3.76Å; L55-A128 HydrophobicContact CD1-CB 3.86Å; L55-H129 WeakPolarHBondContact CA-O 3.4Å
56	F	94.1	Very high	91.5	Very high	84 Å²	84	43 Å²	43	37%	0.368	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.4	171.3	69.5	-88.4	0	0	0	110.7	V101 A128 H129	F56-V101 HydrophobicContact CB-CG2 4.27Å; F56-A128 CarbonylContact O-C 3.52Å; F56-A128 VanDerWaalsContact O-CA 3.29Å; F56-A128 WeakPolarHBondContact O-CA 3.49Å; F56-H129 HydrophobicContact CD1-CB 4.24Å; F56-H129 HydrophobicContact CE1-CB 3.65Å; F56-H129 HydrophobicContact CE2-CB 4.02Å; F56-H129 AromaticContact CE2-CD2 3.73Å; F56-H129 HydrophobicContact CZ-CB 3.52Å; F56-H129 AromaticContact CZ-CD2 3.95Å; F56-H129 AromaticContact CZ-CG 3.97Å; F56-H129 PolarHBondContact N-O 2.04Å; F56-H129 PolarHBondContact O-N 3.31Å
57	F	93.2	Very high	91.1	Very high	19 Å²	19	47 Å²	47	8%	0.083	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.3	178.8	-65.2	-98.3	0	0	0	109.6	L55 F60 V73 V75 F85 P97 I102 F126 V127 A128	L55-F57 HydrophobicContact CD2-CE2 4.17Å; L55-F57 HydrophobicContact CD2-CZ 4.27Å; F57-F60 AromaticContact CD1-CD2 3.66Å; F57-F60 HydrophobicContact CD1-CD2 3.66Å; F57-F60 HydrophobicContact CD1-CE2 4.15Å; F57-F60 HydrophobicContact CE1-CD2 4.04Å; F57-F60 HydrophobicContact CE1-CE2 4.04Å; F57-F60 HydrophobicContact CG-CD2 4.17Å; F57-V73 HydrophobicContact CE1-CG1 4.14Å; F57-V73 HydrophobicContact CZ-CG1 3.88Å; F57-V75 HydrophobicContact CZ-CG2 4.48Å; F57-F85 HydrophobicContact CE2-CD2 4.17Å; F57-F85 AromaticContact CE2-CE2 3.96Å; F57-F85 HydrophobicContact CE2-CE2 3.96Å; F57-F85 HydrophobicContact CZ-CD2 4.4Å; F57-P97 HydrophobicContact CB-CB 4.03Å; F57-P97 HydrophobicContact CB-CG 4.11Å; F57-P97 HydrophobicContact CD1-CG 4.49Å; F57-P97 HydrophobicContact CD2-CB 3.66Å; F57-P97 HydrophobicContact CD2-CG 3.69Å; F57-P97 HydrophobicContact CE2-CB 4.45Å; F57-P97 HydrophobicContact CE2-CG 4.22Å; F57-P97 HydrophobicContact CG-CB 4.05Å; F57-P97 HydrophobicContact CG-CG 3.84Å; F57-I102 HydrophobicContact CE2-CD1 4.12Å; F57-F126 HydrophobicContact CD1-CB 4.21Å; F57-F126 AromaticContact CD1-CD2 3.88Å; F57-F126 HydrophobicContact CD1-CD2 3.88Å; F57-F126 HydrophobicContact CD1-CG 4.34Å; F57-F126 HydrophobicContact CE1-CB 4.46Å; F57-F126 AromaticContact CE1-CD2 3.61Å; F57-F126 HydrophobicContact CE1-CD2 3.61Å; F57-F126 HydrophobicContact CE1-CE2 4.12Å; F57-F126 HydrophobicContact CE1-CG 4.16Å; F57-V127 CarbonylContact C-O 3.56Å; F57-V127 WeakPolarHBondContact CA-O 3.44Å; F57-A128 HydrophobicContact CD1-CB 3.63Å; F57-A128 HydrophobicContact CE1-CB 3.62Å; F57-A128 HydrophobicContact CG-CB 4.21Å; F57-A128 HydrophobicContact CZ-CB 4.16Å
58	S	91.8	Very high	90.9	Very high	71 Å²	71	47.2 Å²	47.2	50%	0.497	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-21.9	173.9	55.5	0	0	0	0	112.3	V127 H129	S58-V127 PolarHBondContact N-O 2.77Å; S58-V127 WeakPolarHBondContact OG-CG1 3.24Å; S58-V127 PolarHBondContact OG-O 2.76Å; S58-H129 PolarHBondContact OG-CD2 2.78Å; S58-H129 VanDerWaalsContact OG-CD2 3.26Å; S58-H129 PolarHBondContact OG-NE2 3.47Å
59	H	91.4	Very high	90.6	Very high	71 Å²	71	49.6 Å²	49.6	33%	0.329	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	139.2	173.7	-175.5	87.6	0	0	0	109.9	F31 S124 G125 F126 V127	F31-H59 HydrophobicContact CE2-CB 4.49Å; F31-H59 AromaticContact CE2-CD2 3.51Å; F31-H59 AromaticContact CE2-NE2 3.99Å; F31-H59 HydrophobicContact CZ-CB 4.44Å; H59-S124 PolarHBondContact NE2-OG 3.02Å; H59-G125 PolarHBondContact CD2-O 3.15Å; H59-F126 VanDerWaalsContact O-CA 3.23Å; H59-F126 WeakPolarHBondContact O-CA 3.34Å; H59-F126 WeakPolarHBondContact O-CB 3.41Å; H59-V127 HydrophobicContact CB-CB 4.21Å; H59-V127 HydrophobicContact CB-CG2 4.21Å; H59-V127 PolarHBondContact N-O 3.49Å; H59-V127 PolarHBondContact O-N 3.13Å
60	F	92	Very high	90.6	Very high	14 Å²	14	48.7 Å²	48.7	6%	0.061	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	118.4	179	-159.3	-88	0	0	0	112	F57 L62 V73 F85 G87 P97 G125 F126	F57-F60 AromaticContact CD1-CD2 3.66Å; F57-F60 HydrophobicContact CD1-CD2 3.66Å; F57-F60 HydrophobicContact CD1-CE2 4.15Å; F57-F60 HydrophobicContact CE1-CD2 4.04Å; F57-F60 HydrophobicContact CE1-CE2 4.04Å; F57-F60 HydrophobicContact CG-CD2 4.17Å; F60-L62 HydrophobicContact CD1-CD1 4.42Å; F60-L62 HydrophobicContact CD2-CD1 4.44Å; F60-L62 HydrophobicContact CE1-CB 4.22Å; F60-L62 HydrophobicContact CE1-CD1 4.07Å; F60-L62 HydrophobicContact CE2-CD1 4.1Å; F60-L62 HydrophobicContact CZ-CD1 3.9Å; F60-L62 HydrophobicContact CZ-CD2 4.03Å; F60-L62 HydrophobicContact CZ-CG 4.38Å; F60-V73 HydrophobicContact CE2-CB 4.11Å; F60-V73 HydrophobicContact CE2-CG2 3.83Å; F60-V73 HydrophobicContact CZ-CB 4.39Å; F60-V73 HydrophobicContact CZ-CG2 4.21Å; F60-F85 HydrophobicContact CE1-CB 4.04Å; F60-F85 HydrophobicContact CE2-CB 3.98Å; F60-F85 HydrophobicContact CZ-CB 3.41Å; F60-F85 VanDerWaalsContact CZ-CB 3.41Å; F60-G87 WeakPolarHBondContact CD1-O 3.45Å; F60-P97 HydrophobicContact CB-CG 4.33Å; F60-P97 HydrophobicContact CD1-CG 4.26Å; F60-P97 HydrophobicContact CD2-CG 3.62Å; F60-P97 HydrophobicContact CE2-CG 3.92Å; F60-P97 HydrophobicContact CG-CG 3.81Å; F60-P97 HydrophobicContact CZ-CG 4.37Å; F60-G125 CarbonylContact C-O 3.57Å; F60-F126 HydrophobicContact CD2-CB 3.71Å; F60-F126 HydrophobicContact CE2-CB 4.19Å; F60-F126 HydrophobicContact CG-CB 4.48Å
61	D	91.1	Very high	90.7	Very high	8 Å²	8	48 Å²	48	4%	0.043	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	89.6	-175.6	-179.1	48.9	0	0	0	108.4	K88 F123 S124 G125	D61-K88 WeakPolarHBondContact OD1-CD 3.39Å; D61-K88 VanDerWaalsContact OD1-CE 3.24Å; D61-K88 WeakPolarHBondContact OD1-CE 3.48Å; D61-K88 WeakPolarHBondContact OD1-CG 3.29Å; D61-K88 IonicContact OD1-NZ 2.81Å; D61-K88 PolarHBondContact OD1-NZ 2.81Å; D61-K88 IonicContact OD2-NZ 3.65Å; D61-F123 WeakPolarHBondContact O-CB 3.31Å; D61-S124 WeakPolarHBondContact CB-OG 3.3Å; D61-S124 PolarHBondContact OD2-N 3.13Å; D61-S124 PolarHBondContact OD2-OG 3.2Å; D61-G125 PolarHBondContact N-O 2.85Å; D61-G125 VanDerWaalsContact O-CA 3.24Å; D61-G125 WeakPolarHBondContact O-CA 3.3Å; D61-G125 PolarHBondContact O-N 2.82Å
62	L	91.3	Very high	90.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.233	C	C	.	.			trans	-121.1	163.3	-179.2	-91.4	73	0	0	0	111.1	Y35 F60 V73 G87 F113 F126	Y35-L62 HydrophobicContact CE1-CG 4.25Å; F60-L62 HydrophobicContact CD1-CD1 4.42Å; F60-L62 HydrophobicContact CD2-CD1 4.44Å; F60-L62 HydrophobicContact CE1-CB 4.22Å; F60-L62 HydrophobicContact CE1-CD1 4.07Å; F60-L62 HydrophobicContact CE2-CD1 4.1Å; F60-L62 HydrophobicContact CZ-CD1 3.9Å; F60-L62 HydrophobicContact CZ-CD2 4.03Å; F60-L62 HydrophobicContact CZ-CG 4.38Å; L62-V73 HydrophobicContact CD2-CG2 3.91Å; L62-G87 PolarHBondContact N-O 2.89Å; L62-G87 CarbonylContact O-C 3.54Å; L62-G87 WeakPolarHBondContact O-CA 3.34Å; L62-G87 PolarHBondContact O-N 3.26Å; L62-F113 HydrophobicContact CD2-CD2 4.12Å; L62-F113 HydrophobicContact CD2-CE2 3.82Å; L62-F113 HydrophobicContact CG-CE2 4.22Å; L62-F126 HydrophobicContact CD1-CB 4.25Å; L62-F126 HydrophobicContact CD1-CD1 4.25Å
63	E	89.8	Confident	90.9	Very high	21 Å²	21	45.4 Å²	45.4	10%	0.098	22%	0.22	C	C	.	.			trans	-59.1	130.6	174	-169.3	-176.5	-132.3	0	0	111.5	Y35 Y70 D71 G87 F123	Y35-E63 PolarHBondContact OH-N 3.4Å; E63-Y70 WeakPolarHBondContact OE2-CB 3.33Å; E63-D71 HydrophobicContact CB-CB 3.91Å; E63-G87 PolarHBondContact O-N 3.34Å; E63-F123 HydrophobicContact CB-CD2 3.86Å; E63-F123 HydrophobicContact CB-CE2 3.54Å; E63-F123 HydrophobicContact CB-CZ 4.1Å; E63-F123 HydrophobicContact CG-CD2 4.47Å; E63-F123 HydrophobicContact CG-CE2 3.68Å; E63-F123 HydrophobicContact CG-CZ 4.1Å
64	P	87.9	Confident	90.9	Very high	59 Å²	59	48 Å²	48	38%	0.383	23%	0.231	S	C	.	.			trans	-75.6	137.1	176.4	30	-35.4	0	0	0	113	E94	P64-E94 WeakPolarHBondContact CA-OE1 3.42Å; P64-E94 WeakPolarHBondContact CB-OE1 3.36Å; P64-E94 WeakPolarHBondContact CB-OE2 3.39Å
65	S	87.2	Confident	90.9	Very high	11 Å²	11	47 Å²	47	8%	0.077	23%	0.225	C	C	.	.			trans	-157.6	154.4	174.3	62.3	0	0	0	0	113.5	L67 C68 E69 Y70 E94	S65-L67 PolarHBondContact O-N 3.49Å; S65-C68 PolarHBondContact O-N 3.42Å; S65-C68 VanDerWaalsContact OG-CA 3.24Å; S65-C68 WeakPolarHBondContact OG-CA 3.23Å; S65-E69 PolarHBondContact OG-N 3.49Å; S65-Y70 VanDerWaalsContact CB-CD2 3.44Å; S65-Y70 PolarHBondContact OG-N 3.35Å; S65-Y70 VanDerWaalsContact OG-N 3.13Å; S65-E94 PolarHBondContact N-OE1 3.42Å
66	Y	82.5	Confident	90.9	Very high	179 Å²	179	49.3 Å²	49.3	70%	0.702	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-62.1	122	178.5	177.8	-105.2	0	0	0	110.3	C68 E69	Y66-C68 PolarHBondContact O-N 2.95Å; Y66-C68 VanDerWaalsContact O-N 3.16Å; Y66-E69 WeakPolarHBondContact O-CG 3.32Å; Y66-E69 PolarHBondContact O-N 2.96Å
67	L	84.4	Confident	90.8	Very high	125 Å²	125	45.6 Å²	45.6	65%	0.654	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	56.5	21.9	-174.4	-59.3	174.4	0	0	0	114.5	S65 E69 L84	S65-L67 PolarHBondContact O-N 3.49Å; L67-E69 PolarHBondContact O-N 3.38Å; L67-L84 WeakPolarHBondContact O-CD2 3.39Å
68	C	89.1	Confident	90.3	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.061	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	57.6	45	-179.3	-52.9	0	0	0	0	113.1	S65 Y66 F72 L84 F85 C86	S65-C68 PolarHBondContact O-N 3.42Å; S65-C68 VanDerWaalsContact OG-CA 3.24Å; S65-C68 WeakPolarHBondContact OG-CA 3.23Å; Y66-C68 PolarHBondContact O-N 2.95Å; Y66-C68 VanDerWaalsContact O-N 3.16Å; C68-F72 HydrophobicContact CB-CB 3.91Å; C68-F72 VanDerWaalsContact O-CD1 3.3Å; C68-F72 WeakPolarHBondContact O-CD1 3.42Å; C68-L84 HydrophobicContact CB-CD2 4.02Å; C68-L84 HydrophobicContact CB-CG 3.96Å; C68-F85 VanDerWaalsContact SG-C 3.59Å; C68-C86 WeakPolarHBondContact CA-SG 3.31Å; C68-C86 HydrophobicContact CB-CB 3.53Å; C68-C86 WeakPolarHBondContact CB-SG 3.39Å; C68-C86 WeakPolarHBondContact SG-CB 3.28Å; C68-C86 PolarHBondContact SG-N 2.86Å; C68-C86 CovalentContact SG-SG 2.04Å; C68-C86 PolarHBondContact SG-SG 2.89Å
69	E	88.1	Confident	89.9	Confident	119 Å²	119	49.5 Å²	49.5	56%	0.556	25%	0.254	S	S	*	.			trans	-79.6	-20.3	-177.5	66.5	178.4	172.3	0	0	114.9	S65 Y66 L67	S65-E69 PolarHBondContact OG-N 3.49Å; Y66-E69 WeakPolarHBondContact O-CG 3.32Å; Y66-E69 PolarHBondContact O-N 2.96Å; L67-E69 PolarHBondContact O-N 3.38Å
70	Y	89.5	Confident	89.8	Confident	107 Å²	107	53.1 Å²	53.1	42%	0.42	27%	0.271	S	S	.	.	S	Bend	trans	-91.2	-94.6	175.4	-53.4	-24.4	0	0	0	109.8	E63 S65	E63-Y70 WeakPolarHBondContact OE2-CB 3.33Å; S65-Y70 VanDerWaalsContact CB-CD2 3.44Å; S65-Y70 PolarHBondContact OG-N 3.35Å; S65-Y70 VanDerWaalsContact OG-N 3.13Å
71	D	91.9	Very high	89.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-93.5	133.4	178.4	-66.5	-3.5	0	0	0	111.7	Y35 E63 C86 V114 S115 D116 N119	Y35-D71 WeakPolarHBondContact CE2-OD2 3.36Å; Y35-D71 PolarHBondContact OH-OD2 3.2Å; E63-D71 HydrophobicContact CB-CB 3.91Å; D71-C86 WeakPolarHBondContact O-CB 3.5Å; D71-V114 WeakPolarHBondContact CA-O 3.46Å; D71-S115 WeakPolarHBondContact OD1-CA 3.19Å; D71-D116 PolarHBondContact OD1-N 2.82Å; D71-N119 PolarHBondContact OD2-OD1 2.73Å
72	F	93.4	Very high	89.7	Confident	36 Å²	36	57.6 Å²	57.6	16%	0.158	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	157.5	-178.9	64.5	-96.9	0	0	0	114.8	C68 K74 L84 F85 Q112 F113 V114	C68-F72 HydrophobicContact CB-CB 3.91Å; C68-F72 VanDerWaalsContact O-CD1 3.3Å; C68-F72 WeakPolarHBondContact O-CD1 3.42Å; F72-K74 HydrophobicContact CD2-CB 3.92Å; F72-K74 HydrophobicContact CE2-CB 3.91Å; F72-L84 HydrophobicContact CB-CD1 3.83Å; F72-L84 HydrophobicContact CD2-CD1 3.51Å; F72-L84 HydrophobicContact CE2-CD1 4.24Å; F72-L84 HydrophobicContact CG-CD1 3.8Å; F72-F85 CarbonylContact C-O 3.32Å; F72-F85 VanDerWaalsContact CA-O 3.28Å; F72-F85 WeakPolarHBondContact CA-O 3.41Å; F72-Q112 HydrophobicContact CE2-CG 4.42Å; F72-F113 WeakPolarHBondContact O-CA 3.35Å; F72-V114 HydrophobicContact CD1-CB 4.2Å; F72-V114 HydrophobicContact CD2-CB 4.5Å; F72-V114 HydrophobicContact CE1-CB 3.76Å; F72-V114 HydrophobicContact CE1-CG1 4.09Å; F72-V114 HydrophobicContact CE1-CG2 4.08Å; F72-V114 HydrophobicContact CE2-CB 4.09Å; F72-V114 HydrophobicContact CE2-CG2 3.76Å; F72-V114 HydrophobicContact CZ-CB 3.7Å; F72-V114 HydrophobicContact CZ-CG1 4.31Å; F72-V114 HydrophobicContact CZ-CG2 3.49Å; F72-V114 VanDerWaalsContact CZ-CG2 3.49Å; F72-V114 PolarHBondContact N-O 2.81Å; F72-V114 PolarHBondContact O-N 2.68Å
73	V	95.1	Very high	89.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.3	160.2	-178.4	0	0	0	0	109.2	F57 F60 L62 L84 F85 V111 Q112 F113 F126	F57-V73 HydrophobicContact CE1-CG1 4.14Å; F57-V73 HydrophobicContact CZ-CG1 3.88Å; F60-V73 HydrophobicContact CE2-CB 4.11Å; F60-V73 HydrophobicContact CE2-CG2 3.83Å; F60-V73 HydrophobicContact CZ-CB 4.39Å; F60-V73 HydrophobicContact CZ-CG2 4.21Å; L62-V73 HydrophobicContact CD2-CG2 3.91Å; V73-L84 WeakPolarHBondContact O-CA 2.99Å; V73-F85 PolarHBondContact N-O 3.22Å; V73-F85 PolarHBondContact O-N 2.72Å; V73-V111 HydrophobicContact CG1-CG1 3.76Å; V73-Q112 CarbonylContact C-O 3.6Å; V73-Q112 VanDerWaalsContact CA-O 3.31Å; V73-Q112 WeakPolarHBondContact CA-O 3.44Å; V73-F113 HydrophobicContact CG2-CB 4.49Å; V73-F113 HydrophobicContact CG2-CD2 3.95Å; V73-F126 HydrophobicContact CG2-CD1 3.61Å; V73-F126 HydrophobicContact CG2-CE1 3.61Å; V73-F126 HydrophobicContact CG2-CG 4.21Å; V73-F126 HydrophobicContact CG2-CZ 4.2Å
74	K	94.6	Very high	89.9	Confident	53 Å²	53	60.4 Å²	60.4	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.8	174.4	-172.3	-172.4	-179.1	-150.3	0	109.6	F72 E76 L84 V111 Q112	F72-K74 HydrophobicContact CD2-CB 3.92Å; F72-K74 HydrophobicContact CE2-CB 3.91Å; K74-E76 IonicContact NZ-OE2 2.76Å; K74-E76 PolarHBondContact NZ-OE2 3.43Å; K74-L84 HydrophobicContact CB-CD1 3.81Å; K74-L84 HydrophobicContact CG-CD1 4.15Å; K74-V111 CarbonylContact O-C 3.5Å; K74-V111 WeakPolarHBondContact O-CA 3.48Å; K74-Q112 HydrophobicContact CB-CB 4.4Å; K74-Q112 PolarHBondContact N-O 2.98Å; K74-Q112 PolarHBondContact O-N 2.78Å
75	V	95.1	Very high	90.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.3	172.4	-173.9	0	0	0	0	108.3	L55 F57 L82 A83 F85 I102 L109 S110 V111	L55-V75 HydrophobicContact CD2-CG1 4.07Å; L55-V75 HydrophobicContact CD2-CG2 3.82Å; F57-V75 HydrophobicContact CZ-CG2 4.48Å; V75-L82 PolarHBondContact O-N 3.46Å; V75-A83 HydrophobicContact CB-CB 4.47Å; V75-A83 PolarHBondContact N-O 2.86Å; V75-A83 PolarHBondContact O-N 3.31Å; V75-A83 VanDerWaalsContact O-N 3.16Å; V75-F85 HydrophobicContact CG2-CE2 4.38Å; V75-I102 HydrophobicContact CB-CD1 4.43Å; V75-I102 HydrophobicContact CG1-CG2 4.05Å; V75-I102 HydrophobicContact CG2-CD1 4.02Å; V75-L109 HydrophobicContact CG1-CD1 3.53Å; V75-L109 HydrophobicContact CG1-CD2 4.15Å; V75-L109 HydrophobicContact CG1-CG 3.96Å; V75-S110 CarbonylContact C-O 3.46Å; V75-S110 WeakPolarHBondContact CA-O 3.49Å; V75-V111 HydrophobicContact CG2-CG2 4.47Å
76	E	94.8	Very high	90.3	Very high	50 Å²	50	57.4 Å²	57.4	23%	0.234	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.6	-175.3	70	-169.3	171.2	0	0	111.4	K74 E80 S110	K74-E76 IonicContact NZ-OE2 2.76Å; K74-E76 PolarHBondContact NZ-OE2 3.43Å; E76-E80 CarbonylContact C-O 3.57Å; E76-E80 WeakPolarHBondContact CA-O 3.06Å; E76-E80 WeakPolarHBondContact CB-O 3.27Å; E76-S110 VanDerWaalsContact CG-CB 3.46Å; E76-S110 PolarHBondContact N-O 2.85Å; E76-S110 PolarHBondContact O-N 2.76Å
77	A	92.7	Very high	90.5	Very high	5 Å²	5	48.9 Å²	48.9	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.3	172.6	0	0	0	0	0	108.9	G79 E80 L82 P105 L109	A77-G79 PolarHBondContact O-N 3Å; A77-E80 PolarHBondContact N-O 2.87Å; A77-E80 PolarHBondContact O-N 3Å; A77-L82 HydrophobicContact CB-CD1 3.71Å; A77-L82 HydrophobicContact CB-CD2 4.48Å; A77-L82 HydrophobicContact CB-CG 4.09Å; A77-P105 HydrophobicContact CB-CG 3.99Å; A77-L109 HydrophobicContact CB-CD1 4.12Å
78	D	83.6	Confident	90.5	Very high	101 Å²	101	48.1 Å²	48.1	54%	0.54	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	27.6	179	-58.5	-29.4	0	0	0	115.1	E80 R106	D78-E80 VanDerWaalsContact C-N 3.35Å; D78-R106 VanDerWaalsContact OD2-CD 3.29Å; D78-R106 WeakPolarHBondContact OD2-CD 3.19Å; D78-R106 IonicContact OD2-NE 3.71Å
79	G	82.1	Confident	89.4	Confident	72 Å²	72	53.5 Å²	53.5	74%	0.742	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-4.7	-178.5	0	0	0	0	0	115.1	A77	A77-G79 PolarHBondContact O-N 3Å
80	E	89.5	Confident	88.2	Confident	147 Å²	147	56.6 Å²	56.6	69%	0.687	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.5	174.6	-63.5	-167.1	163.3	0	0	111.4	E76 A77 D78 L82	E76-E80 CarbonylContact C-O 3.57Å; E76-E80 WeakPolarHBondContact CA-O 3.06Å; E76-E80 WeakPolarHBondContact CB-O 3.27Å; A77-E80 PolarHBondContact N-O 2.87Å; A77-E80 PolarHBondContact O-N 3Å; D78-E80 VanDerWaalsContact C-N 3.35Å; E80-L82 PolarHBondContact O-N 3Å
81	A	90.4	Very high	86.8	Confident	66 Å²	66	54.5 Å²	54.5	55%	0.545	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	109.4	175.3	0	0	0	0	0	109.6
82	L	91.8	Very high	85.2	Confident	50 Å²	50	62.7 Å²	62.7	26%	0.262	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-33.7	176.2	-60.9	-176.3	0	0	0	111.6	V75 A77 E80 I102 L109	V75-L82 PolarHBondContact O-N 3.46Å; A77-L82 HydrophobicContact CB-CD1 3.71Å; A77-L82 HydrophobicContact CB-CD2 4.48Å; A77-L82 HydrophobicContact CB-CG 4.09Å; E80-L82 PolarHBondContact O-N 3Å; L82-I102 HydrophobicContact CB-CG2 4.19Å; L82-I102 HydrophobicContact CD1-CG2 4.05Å; L82-L109 HydrophobicContact CD1-CD1 3.74Å
83	A	91.1	Very high	83.5	Confident	12 Å²	12	67.2 Å²	67.2	10%	0.099	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	155.5	176.1	0	0	0	0	0	112.7	V75 F85 I102	V75-A83 HydrophobicContact CB-CB 4.47Å; V75-A83 PolarHBondContact N-O 2.86Å; V75-A83 PolarHBondContact O-N 3.31Å; V75-A83 VanDerWaalsContact O-N 3.16Å; A83-F85 HydrophobicContact CB-CD2 4.18Å; A83-F85 HydrophobicContact CB-CE1 4.01Å; A83-F85 HydrophobicContact CB-CE2 3.37Å; A83-F85 HydrophobicContact CB-CZ 3.29Å; A83-I102 HydrophobicContact CB-CD1 4.19Å
84	L	92.4	Very high	82.1	Confident	68 Å²	68	69 Å²	69	36%	0.356	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	124.6	171.7	-177.2	68.9	0	0	0	107.6	L67 C68 F72 V73 K74	L67-L84 WeakPolarHBondContact O-CD2 3.39Å; C68-L84 HydrophobicContact CB-CD2 4.02Å; C68-L84 HydrophobicContact CB-CG 3.96Å; F72-L84 HydrophobicContact CB-CD1 3.83Å; F72-L84 HydrophobicContact CD2-CD1 3.51Å; F72-L84 HydrophobicContact CE2-CD1 4.24Å; F72-L84 HydrophobicContact CG-CD1 3.8Å; V73-L84 WeakPolarHBondContact O-CA 2.99Å; K74-L84 HydrophobicContact CB-CD1 3.81Å; K74-L84 HydrophobicContact CG-CD1 4.15Å
85	F	92.7	Very high	81.2	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.026	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.7	-173.9	-54.1	-67.7	0	0	0	113.1	F57 F60 C68 F72 V73 V75 A83 A95 P97 I102	F57-F85 HydrophobicContact CE2-CD2 4.17Å; F57-F85 AromaticContact CE2-CE2 3.96Å; F57-F85 HydrophobicContact CE2-CE2 3.96Å; F57-F85 HydrophobicContact CZ-CD2 4.4Å; F60-F85 HydrophobicContact CE1-CB 4.04Å; F60-F85 HydrophobicContact CE2-CB 3.98Å; F60-F85 HydrophobicContact CZ-CB 3.41Å; F60-F85 VanDerWaalsContact CZ-CB 3.41Å; C68-F85 VanDerWaalsContact SG-C 3.59Å; F72-F85 CarbonylContact C-O 3.32Å; F72-F85 VanDerWaalsContact CA-O 3.28Å; F72-F85 WeakPolarHBondContact CA-O 3.41Å; V73-F85 PolarHBondContact N-O 3.22Å; V73-F85 PolarHBondContact O-N 2.72Å; V75-F85 HydrophobicContact CG2-CE2 4.38Å; A83-F85 HydrophobicContact CB-CD2 4.18Å; A83-F85 HydrophobicContact CB-CE1 4.01Å; A83-F85 HydrophobicContact CB-CE2 3.37Å; A83-F85 HydrophobicContact CB-CZ 3.29Å; F85-A95 WeakPolarHBondContact CA-O 3.39Å; F85-A95 WeakPolarHBondContact CD1-O 3.42Å; F85-P97 HydrophobicContact CB-CG 4.19Å; F85-P97 HydrophobicContact CD1-CB 4.49Å; F85-P97 HydrophobicContact CD1-CG 3.99Å; F85-P97 HydrophobicContact CD2-CG 3.96Å; F85-P97 HydrophobicContact CE1-CB 4.32Å; F85-P97 HydrophobicContact CE1-CG 4.29Å; F85-P97 HydrophobicContact CE2-CG 4.27Å; F85-P97 HydrophobicContact CG-CG 3.8Å; F85-P97 HydrophobicContact CZ-CB 4.32Å; F85-P97 HydrophobicContact CZ-CG 4.4Å; F85-I102 HydrophobicContact CE2-CD1 3.47Å; F85-I102 VanDerWaalsContact CE2-CD1 3.47Å; F85-I102 HydrophobicContact CZ-CD1 3.73Å
86	C	90.9	Very high	80.7	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	40%	0.397	C	S	.	.			trans	-156.1	173.1	173.3	58.8	0	0	0	0	109.6	C68 D71 A95 V96	C68-C86 WeakPolarHBondContact CA-SG 3.31Å; C68-C86 HydrophobicContact CB-CB 3.53Å; C68-C86 WeakPolarHBondContact CB-SG 3.39Å; C68-C86 WeakPolarHBondContact SG-CB 3.28Å; C68-C86 PolarHBondContact SG-N 2.86Å; C68-C86 CovalentContact SG-SG 2.04Å; C68-C86 PolarHBondContact SG-SG 2.89Å; D71-C86 WeakPolarHBondContact O-CB 3.5Å; C86-A95 PolarHBondContact N-O 2.95Å; C86-V96 VanDerWaalsContact O-CG1 3.32Å; C86-V96 WeakPolarHBondContact O-CG1 3.35Å
87	G	88.4	Confident	80	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	39%	0.387	C	S	.	.	S	Bend	trans	83.5	-164	178.4	0	0	0	0	0	115.5	F60 L62 E63 E94	F60-G87 WeakPolarHBondContact CD1-O 3.45Å; L62-G87 PolarHBondContact N-O 2.89Å; L62-G87 CarbonylContact O-C 3.54Å; L62-G87 WeakPolarHBondContact O-CA 3.34Å; L62-G87 PolarHBondContact O-N 3.26Å; E63-G87 PolarHBondContact O-N 3.34Å; G87-E94 WeakPolarHBondContact CA-OE2 3.48Å
88	K	83.6	Confident	79	Confident	110 Å²	110	71 Å²	71	48%	0.478	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-133.1	152.2	-177	-170.2	-177.1	-162.1	131.4	0	110.4	D61 E90 T91	D61-K88 WeakPolarHBondContact OD1-CD 3.39Å; D61-K88 VanDerWaalsContact OD1-CE 3.24Å; D61-K88 WeakPolarHBondContact OD1-CE 3.48Å; D61-K88 WeakPolarHBondContact OD1-CG 3.29Å; D61-K88 IonicContact OD1-NZ 2.81Å; D61-K88 PolarHBondContact OD1-NZ 2.81Å; D61-K88 IonicContact OD2-NZ 3.65Å; K88-E90 PolarHBondContact O-N 2.81Å; K88-T91 PolarHBondContact O-N 3.44Å; K88-T91 PolarHBondContact O-OG1 3.17Å
89	E	66.3	Low	78.6	Confident	121 Å²	121	74.5 Å²	74.5	57%	0.565	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	17.1	-168.3	-114.6	179.3	177.8	0	0	118.7
90	E	62.6	Low	78.8	Confident	184 Å²	184	78 Å²	78	86%	0.86	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.3	11.9	-177.7	-61.8	-178.7	164.4	0	0	114.6	K88	K88-E90 PolarHBondContact O-N 2.81Å
91	T	60.9	Low	78.8	Confident	63 Å²	63	74.8 Å²	74.8	39%	0.387	41%	0.405	S	S	.	.			trans	-104.3	121.1	179.7	46.2	0	0	0	0	113.4	K88 T93 E94	K88-T91 PolarHBondContact O-N 3.44Å; K88-T91 PolarHBondContact O-OG1 3.17Å; T91-T93 VanDerWaalsContact C-N 3.27Å; T91-T93 PolarHBondContact O-N 3Å; T91-E94 PolarHBondContact OG1-OE2 3.36Å
92	D	57.6	Low	78.9	Confident	173 Å²	173	72 Å²	72	93%	0.925	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-8.5	-172.9	-85.4	-15.3	0	0	0	115.7
93	T	56.6	Low	79	Confident	131 Å²	131	72.5 Å²	72.5	80%	0.804	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	5.1	-171.6	48.7	0	0	0	0	114.7	T91	T91-T93 VanDerWaalsContact C-N 3.27Å; T91-T93 PolarHBondContact O-N 3Å
94	E	67.4	Low	79.1	Confident	37 Å²	37	72.1 Å²	72.1	17%	0.173	38%	0.382	C	S	.	.	S	Bend	trans	-138.9	159.9	-161	-54.3	-170.3	130.6	0	0	114.7	P64 S65 G87 T91	P64-E94 WeakPolarHBondContact CA-OE1 3.42Å; P64-E94 WeakPolarHBondContact CB-OE1 3.36Å; P64-E94 WeakPolarHBondContact CB-OE2 3.39Å; S65-E94 PolarHBondContact N-OE1 3.42Å; G87-E94 WeakPolarHBondContact CA-OE2 3.48Å; T91-E94 PolarHBondContact OG1-OE2 3.36Å
95	A	75.7	Confident	78.9	Confident	50 Å²	50	72.6 Å²	72.6	41%	0.413	39%	0.389	S	S	.	.			trans	-94.9	99.3	174.8	0	0	0	0	0	109.9	F85 C86	F85-A95 WeakPolarHBondContact CA-O 3.39Å; F85-A95 WeakPolarHBondContact CD1-O 3.42Å; C86-A95 PolarHBondContact N-O 2.95Å
96	V	83	Confident	78.6	Confident	32 Å²	32	79.3 Å²	79.3	19%	0.194	41%	0.414	C	S	.	.			trans	-99.1	155.8	169.1	-69.6	0	0	0	0	110.8	C86 A98	C86-V96 VanDerWaalsContact O-CG1 3.32Å; C86-V96 WeakPolarHBondContact O-CG1 3.35Å; V96-A98 VanDerWaalsContact C-N 3.33Å; V96-A98 HydrophobicContact CG2-CB 4.36Å; V96-A98 PolarHBondContact O-N 2.8Å
97	P	81.4	Confident	78.7	Confident	5 Å²	5	80.9 Å²	80.9	3%	0.032	42%	0.423	C	S	.	.			trans	-63.2	-29.4	-178.8	-23.5	33.5	0	0	0	115.1	F57 F60 F85 Q99 R100	F57-P97 HydrophobicContact CB-CB 4.03Å; F57-P97 HydrophobicContact CB-CG 4.11Å; F57-P97 HydrophobicContact CD1-CG 4.49Å; F57-P97 HydrophobicContact CD2-CB 3.66Å; F57-P97 HydrophobicContact CD2-CG 3.69Å; F57-P97 HydrophobicContact CE2-CB 4.45Å; F57-P97 HydrophobicContact CE2-CG 4.22Å; F57-P97 HydrophobicContact CG-CB 4.05Å; F57-P97 HydrophobicContact CG-CG 3.84Å; F60-P97 HydrophobicContact CB-CG 4.33Å; F60-P97 HydrophobicContact CD1-CG 4.26Å; F60-P97 HydrophobicContact CD2-CG 3.62Å; F60-P97 HydrophobicContact CE2-CG 3.92Å; F60-P97 HydrophobicContact CG-CG 3.81Å; F60-P97 HydrophobicContact CZ-CG 4.37Å; F85-P97 HydrophobicContact CB-CG 4.19Å; F85-P97 HydrophobicContact CD1-CB 4.49Å; F85-P97 HydrophobicContact CD1-CG 3.99Å; F85-P97 HydrophobicContact CD2-CG 3.96Å; F85-P97 HydrophobicContact CE1-CB 4.32Å; F85-P97 HydrophobicContact CE1-CG 4.29Å; F85-P97 HydrophobicContact CE2-CG 4.27Å; F85-P97 HydrophobicContact CG-CG 3.8Å; F85-P97 HydrophobicContact CZ-CB 4.32Å; F85-P97 HydrophobicContact CZ-CG 4.4Å; P97-Q99 PolarHBondContact O-N 2.79Å; P97-R100 WeakPolarHBondContact O-CA 3.42Å; P97-R100 WeakPolarHBondContact O-CB 3.35Å; P97-R100 PolarHBondContact O-N 2.86Å
98	A	71.9	Confident	78.9	Confident	64 Å²	64	82.9 Å²	82.9	53%	0.529	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.3	54.8	174.6	0	0	0	0	0	115.3	V96 R100	V96-A98 VanDerWaalsContact C-N 3.33Å; V96-A98 HydrophobicContact CG2-CB 4.36Å; V96-A98 PolarHBondContact O-N 2.8Å; A98-R100 PolarHBondContact O-N 2.99Å; A98-R100 VanDerWaalsContact O-N 3.08Å
99	Q	75.1	Confident	79.4	Confident	174 Å²	174	77.6 Å²	77.6	81%	0.813	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	8.4	-175.7	-55.7	-174.9	-20.8	0	0	116.5	P97 V101	P97-Q99 PolarHBondContact O-N 2.79Å; Q99-V101 PolarHBondContact O-N 2.81Å
100	R	84.9	Confident	80.8	Confident	144 Å²	144	73 Å²	73	54%	0.543	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-64.4	126.1	177.1	-175.3	176.7	172.4	-177.4	-5.4	110.8	P97 A98	P97-R100 WeakPolarHBondContact O-CA 3.42Å; P97-R100 WeakPolarHBondContact O-CB 3.35Å; P97-R100 PolarHBondContact O-N 2.86Å; A98-R100 PolarHBondContact O-N 2.99Å; A98-R100 VanDerWaalsContact O-N 3.08Å
101	V	90.9	Very high	82.3	Confident	81 Å²	81	64.3 Å²	64.3	49%	0.491	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-86.8	123.8	168.2	-175.8	0	0	0	0	108.7	T54 F56 Q99	T54-V101 HydrophobicContact CG2-CG1 4.13Å; F56-V101 HydrophobicContact CB-CG2 4.27Å; Q99-V101 PolarHBondContact O-N 2.81Å
102	I	92.8	Very high	84	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.036	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122	177.9	-57.1	160.9	0	0	0	107.1	T54 L55 F57 V75 L82 A83 F85	T54-I102 CarbonylContact C-O 3.54Å; T54-I102 VanDerWaalsContact CA-O 3.3Å; T54-I102 WeakPolarHBondContact CA-O 3.46Å; L55-I102 HydrophobicContact CB-CB 4.44Å; L55-I102 HydrophobicContact CD2-CD1 4.43Å; L55-I102 PolarHBondContact N-O 2.54Å; L55-I102 PolarHBondContact O-N 3.22Å; F57-I102 HydrophobicContact CE2-CD1 4.12Å; V75-I102 HydrophobicContact CB-CD1 4.43Å; V75-I102 HydrophobicContact CG1-CG2 4.05Å; V75-I102 HydrophobicContact CG2-CD1 4.02Å; L82-I102 HydrophobicContact CB-CG2 4.19Å; L82-I102 HydrophobicContact CD1-CG2 4.05Å; A83-I102 HydrophobicContact CB-CD1 4.19Å; F85-I102 HydrophobicContact CE2-CD1 3.47Å; F85-I102 VanDerWaalsContact CE2-CD1 3.47Å; F85-I102 HydrophobicContact CZ-CD1 3.73Å
103	T	92.4	Very high	85.8	Confident	61 Å²	61	54.2 Å²	54.2	37%	0.374	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.9	179.3	-53.7	0	0	0	0	109.1	R52 I53 T54	R52-T103 HydrophobicContact CB-CG2 4.47Å; R52-T103 VanDerWaalsContact CD-CG2 3.45Å; R52-T103 HydrophobicContact CG-CG2 3.91Å; I53-T103 CarbonylContact O-C 3.5Å; I53-T103 WeakPolarHBondContact O-CA 3.4Å; T54-T103 HydrophobicContact CG2-CG2 4.17Å
104	S	93.1	Very high	87.6	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.021	26%	0.263	C	S	.	.			trans	-72.9	145.9	174.8	65.2	0	0	0	0	111	R52 I53 R106	R52-S104 WeakPolarHBondContact CB-O 3.03Å; I53-S104 WeakPolarHBondContact CB-OG 3.38Å; I53-S104 PolarHBondContact N-OG 3.16Å; I53-S104 PolarHBondContact O-N 2.81Å; I53-S104 PolarHBondContact O-OG 3.38Å; S104-R106 VanDerWaalsContact C-N 3.31Å; S104-R106 WeakPolarHBondContact CB-O 3.18Å; S104-R106 PolarHBondContact OG-O 2.82Å
105	P	88	Confident	88.8	Confident	78 Å²	78	47.3 Å²	47.3	51%	0.506	26%	0.256	S	S	.	.	S	Bend	trans	-70.9	-25.6	175.5	27.5	-34.2	0	0	0	113.2	A77	A77-P105 HydrophobicContact CB-CG 3.99Å
106	R	87.7	Confident	89.5	Confident	147 Å²	147	46.4 Å²	46.4	56%	0.555	24%	0.244	S	C	*	.	S	Bend	trans	-132.1	-165.1	179.1	-64.8	-172	-178.3	-92.1	-3.8	110.8	D78 S104 T108	D78-R106 VanDerWaalsContact OD2-CD 3.29Å; D78-R106 WeakPolarHBondContact OD2-CD 3.19Å; D78-R106 IonicContact OD2-NE 3.71Å; S104-R106 VanDerWaalsContact C-N 3.31Å; S104-R106 WeakPolarHBondContact CB-O 3.18Å; S104-R106 PolarHBondContact OG-O 2.82Å; R106-T108 VanDerWaalsContact C-N 3.26Å; R106-T108 PolarHBondContact O-N 2.83Å
107	N	91.9	Very high	89.7	Confident	34 Å²	34	53.3 Å²	53.3	18%	0.182	27%	0.272	C	S	.	.	S	Bend	trans	-81.9	10.7	-177.8	66.8	-34.6	0	0	0	115.1	S46 V47 D49 F51 I53	S46-N107 WeakPolarHBondContact CA-O 3.3Å; V47-N107 HydrophobicContact CG2-CB 3.91Å; V47-N107 WeakPolarHBondContact CG2-O 3.36Å; V47-N107 PolarHBondContact N-O 3.29Å; V47-N107 WeakPolarHBondContact O-CB 3.21Å; V47-N107 PolarHBondContact O-ND2 3.34Å; D49-N107 PolarHBondContact OD1-ND2 2.84Å; F51-N107 VanDerWaalsContact O-CA 3.31Å; F51-N107 WeakPolarHBondContact O-CA 3.01Å; F51-N107 WeakPolarHBondContact O-CB 3.32Å; I53-N107 WeakPolarHBondContact CD1-O 3.33Å
108	T	93	Very high	89.6	Confident	41 Å²	41	54.7 Å²	54.7	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.2	-179.2	-53.2	0	0	0	0	111.6	T44 I45 R106	T44-T108 HydrophobicContact CG2-CG2 3.96Å; I45-T108 CarbonylContact O-C 3.59Å; I45-T108 WeakPolarHBondContact O-CA 3.46Å; R106-T108 VanDerWaalsContact C-N 3.26Å; R106-T108 PolarHBondContact O-N 2.83Å
109	L	94.9	Very high	89.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128.1	178.3	-171.7	66.6	0	0	0	109.7	I45 I53 L55 V75 A77 L82	I45-L109 HydrophobicContact CB-CB 4.49Å; I45-L109 HydrophobicContact CD1-CD2 4.48Å; I45-L109 PolarHBondContact N-O 3.49Å; I45-L109 PolarHBondContact O-N 3.5Å; I53-L109 HydrophobicContact CB-CB 4.22Å; I53-L109 HydrophobicContact CB-CD2 4.31Å; I53-L109 HydrophobicContact CD1-CB 3.72Å; I53-L109 HydrophobicContact CG2-CB 4.23Å; I53-L109 HydrophobicContact CG2-CD2 3.78Å; L55-L109 HydrophobicContact CB-CD2 3.82Å; L55-L109 HydrophobicContact CD2-CD2 4.16Å; V75-L109 HydrophobicContact CG1-CD1 3.53Å; V75-L109 HydrophobicContact CG1-CD2 4.15Å; V75-L109 HydrophobicContact CG1-CG 3.96Å; A77-L109 HydrophobicContact CB-CD1 4.12Å; L82-L109 HydrophobicContact CD1-CD1 3.74Å
110	S	94.5	Very high	89.5	Confident	25 Å²	25	53.8 Å²	53.8	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.4	176.7	-75.8	0	0	0	0	110.6	W43 T44 V75 E76	W43-S110 CarbonylContact O-C 3.59Å; W43-S110 WeakPolarHBondContact O-CA 3.2Å; T44-S110 PolarHBondContact OG1-OG 2.9Å; V75-S110 CarbonylContact C-O 3.46Å; V75-S110 WeakPolarHBondContact CA-O 3.49Å; E76-S110 VanDerWaalsContact CG-CB 3.46Å; E76-S110 PolarHBondContact N-O 2.85Å; E76-S110 PolarHBondContact O-N 2.76Å
111	V	95	Very high	89.1	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.6	177.7	-175.8	0	0	0	0	108.1	L26 N42 W43 I45 L55 V73 K74 V75	L26-V111 HydrophobicContact CD1-CB 3.99Å; L26-V111 HydrophobicContact CD1-CG1 4.24Å; L26-V111 HydrophobicContact CD1-CG2 3.95Å; N42-V111 WeakPolarHBondContact CA-O 3.4Å; W43-V111 HydrophobicContact CE3-CB 4.34Å; W43-V111 HydrophobicContact CE3-CG1 4.24Å; W43-V111 PolarHBondContact N-O 3.24Å; W43-V111 PolarHBondContact O-N 2.78Å; I45-V111 HydrophobicContact CD1-CG2 4.37Å; L55-V111 HydrophobicContact CD2-CG2 3.76Å; V73-V111 HydrophobicContact CG1-CG1 3.76Å; K74-V111 CarbonylContact O-C 3.5Å; K74-V111 WeakPolarHBondContact O-CA 3.48Å; V75-V111 HydrophobicContact CG2-CG2 4.47Å
112	Q	95.4	Very high	88.8	Confident	24 Å²	24	60.1 Å²	60.1	11%	0.112	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123	179.6	167.6	166.7	75.8	0	0	110	R40 R41 N42 F72 V73 K74 V114	R40-Q112 VanDerWaalsContact NH1-NE2 3.13Å; R41-Q112 CarbonylContact O-C 3.52Å; R41-Q112 WeakPolarHBondContact O-CA 3.33Å; N42-Q112 PolarHBondContact ND2-NE2 2.94Å; N42-Q112 WeakPolarHBondContact OD1-CG 3.41Å; N42-Q112 PolarHBondContact OD1-NE2 2.81Å; F72-Q112 HydrophobicContact CE2-CG 4.42Å; V73-Q112 CarbonylContact C-O 3.6Å; V73-Q112 VanDerWaalsContact CA-O 3.31Å; V73-Q112 WeakPolarHBondContact CA-O 3.44Å; K74-Q112 HydrophobicContact CB-CB 4.4Å; K74-Q112 PolarHBondContact N-O 2.98Å; K74-Q112 PolarHBondContact O-N 2.78Å; Q112-V114 HydrophobicContact CG-CG2 3.82Å
113	F	95.8	Very high	88.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.8	169.1	170.8	-112.3	0	0	0	109.8	P29 Y35 R40 R41 W43 L62 F72 V73 F126	P29-F113 HydrophobicContact CG-CE1 4.42Å; Y35-F113 HydrophobicContact CD1-CZ 4.26Å; Y35-F113 HydrophobicContact CD2-CE1 4.44Å; Y35-F113 AromaticContact CD2-CZ 3.67Å; Y35-F113 HydrophobicContact CD2-CZ 3.67Å; Y35-F113 HydrophobicContact CE2-CZ 4.05Å; Y35-F113 HydrophobicContact CG-CE1 4.5Å; Y35-F113 AromaticContact CG-CZ 3.78Å; Y35-F113 HydrophobicContact CG-CZ 3.78Å; R40-F113 WeakPolarHBondContact CA-O 3.44Å; R41-F113 HydrophobicContact CB-CB 4.41Å; R41-F113 PolarHBondContact N-O 3.41Å; R41-F113 PolarHBondContact O-N 2.82Å; W43-F113 HydrophobicContact CH2-CB 4.22Å; W43-F113 HydrophobicContact CZ3-CB 3.81Å; L62-F113 HydrophobicContact CD2-CD2 4.12Å; L62-F113 HydrophobicContact CD2-CE2 3.82Å; L62-F113 HydrophobicContact CG-CE2 4.22Å; F72-F113 WeakPolarHBondContact O-CA 3.35Å; V73-F113 HydrophobicContact CG2-CB 4.49Å; V73-F113 HydrophobicContact CG2-CD2 3.95Å; F113-F126 HydrophobicContact CB-CE1 3.82Å; F113-F126 HydrophobicContact CB-CZ 4.25Å; F113-F126 HydrophobicContact CD2-CD1 4.28Å; F113-F126 AromaticContact CD2-CE1 3.8Å; F113-F126 HydrophobicContact CD2-CE1 3.8Å; F113-F126 AromaticContact CG-CE1 3.79Å; F113-F126 HydrophobicContact CG-CE1 3.79Å
114	V	94.6	Very high	88.6	Confident	18 Å²	18	58.7 Å²	58.7	11%	0.109	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.8	176	-179.7	0	0	0	0	108.5	T39 R40 D71 F72 Q112	T39-V114 CarbonylContact O-C 3.54Å; T39-V114 WeakPolarHBondContact O-CA 3.19Å; R40-V114 HydrophobicContact CG-CG2 4.27Å; D71-V114 WeakPolarHBondContact CA-O 3.46Å; F72-V114 HydrophobicContact CD1-CB 4.2Å; F72-V114 HydrophobicContact CD2-CB 4.5Å; F72-V114 HydrophobicContact CE1-CB 3.76Å; F72-V114 HydrophobicContact CE1-CG1 4.09Å; F72-V114 HydrophobicContact CE1-CG2 4.08Å; F72-V114 HydrophobicContact CE2-CB 4.09Å; F72-V114 HydrophobicContact CE2-CG2 3.76Å; F72-V114 HydrophobicContact CZ-CB 3.7Å; F72-V114 HydrophobicContact CZ-CG1 4.31Å; F72-V114 HydrophobicContact CZ-CG2 3.49Å; F72-V114 VanDerWaalsContact CZ-CG2 3.49Å; F72-V114 PolarHBondContact N-O 2.81Å; F72-V114 PolarHBondContact O-N 2.68Å; Q112-V114 HydrophobicContact CG-CG2 3.82Å
115	S	93.6	Very high	88.6	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.028	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.5	163.3	61.9	0	0	0	0	111.2	P36 D38 T39 D71	P36-S115 PolarHBondContact O-OG 3.44Å; D38-S115 WeakPolarHBondContact CA-O 3.18Å; T39-S115 WeakPolarHBondContact CB-OG 3.43Å; T39-S115 PolarHBondContact N-O 2.79Å; T39-S115 PolarHBondContact N-OG 2.94Å; T39-S115 PolarHBondContact O-N 2.82Å; T39-S115 PolarHBondContact O-OG 2.89Å; D71-S115 WeakPolarHBondContact OD1-CA 3.19Å
116	D	89.4	Confident	88.9	Confident	31 Å²	31	54.8 Å²	54.8	17%	0.166	26%	0.255	C	S	.	.			trans	-83.4	-167.8	179.4	93.5	-20.1	0	0	0	111.7	T37 D38 D71 S118	T37-D116 CarbonylContact C-O 3.48Å; T37-D116 WeakPolarHBondContact CA-O 3.46Å; T37-D116 VanDerWaalsContact CB-O 3.27Å; T37-D116 WeakPolarHBondContact CB-O 3.24Å; D38-D116 PolarHBondContact N-O 2.98Å; D71-D116 PolarHBondContact OD1-N 2.82Å; D116-S118 VanDerWaalsContact C-N 3.31Å; D116-S118 PolarHBondContact O-N 2.97Å; D116-S118 WeakPolarHBondContact OD1-CA 3.4Å; D116-S118 PolarHBondContact OD1-N 2.97Å
117	F	87	Confident	89.2	Confident	177 Å²	177	48.3 Å²	48.3	78%	0.776	23%	0.231	S	C	*	.	S	Bend	trans	-79.8	-6.6	-177.8	64.6	-90	0	0	0	114.5
118	S	79.4	Confident	89.3	Confident	34 Å²	34	46.7 Å²	46.7	24%	0.238	22%	0.223	C	C	.	.			trans	-132.1	113.2	-167.5	-178.4	0	0	0	0	112.3	D116	D116-S118 VanDerWaalsContact C-N 3.31Å; D116-S118 PolarHBondContact O-N 2.97Å; D116-S118 WeakPolarHBondContact OD1-CA 3.4Å; D116-S118 PolarHBondContact OD1-N 2.97Å
119	N	74.5	Confident	89.4	Confident	41 Å²	41	47.7 Å²	47.7	22%	0.219	22%	0.224	C	C	.	.			trans	-115.8	91	164.3	-88.9	-27	0	0	0	108.1	Y35 T37 D71 E121	Y35-N119 WeakPolarHBondContact CD2-ND2 3.4Å; Y35-N119 WeakPolarHBondContact CE2-ND2 3.44Å; Y35-N119 PolarHBondContact O-ND2 2.79Å; T37-N119 HydrophobicContact CG2-CB 3.84Å; D71-N119 PolarHBondContact OD2-OD1 2.73Å; N119-E121 VanDerWaalsContact C-N 3.28Å
120	E	69.9	Low	89.4	Confident	178 Å²	178	48 Å²	48	83%	0.832	23%	0.225	S	C	*	.	S	Bend	trans	-66	-34.7	178.8	-66.5	-164.1	168.9	0	0	111.5
121	E	77.8	Confident	89.5	Confident	134 Å²	134	48.7 Å²	48.7	63%	0.626	23%	0.231	S	C	*	.	S	Bend	trans	-106.4	168	174.3	-61.9	-169.7	178.8	0	0	112.4	N119 F123	N119-E121 VanDerWaalsContact C-N 3.28Å; E121-F123 HydrophobicContact CB-CD2 4.46Å; E121-F123 HydrophobicContact CB-CE1 4.28Å; E121-F123 HydrophobicContact CB-CE2 3.76Å; E121-F123 HydrophobicContact CB-CZ 3.65Å; E121-F123 HydrophobicContact CG-CZ 4.4Å; E121-F123 PolarHBondContact O-N 2.66Å
122	R	84.8	Confident	89.5	Confident	224 Å²	224	49.8 Å²	49.8	85%	0.845	24%	0.239	S	C	*	.			trans	-97.2	90.6	-179.9	-70.1	-173.1	178.2	-165.5	-0.9	110.9	P34	P34-R122 HydrophobicContact CB-CB 4.49Å; P34-R122 HydrophobicContact CG-CB 3.95Å; P34-R122 HydrophobicContact CG-CG 4.33Å
123	F	89.4	Confident	89.4	Confident	14 Å²	14	51 Å²	51	6%	0.061	25%	0.249	C	C	.	.			trans	-88.1	128.7	176.8	-58.9	-70.5	0	0	0	111.8	P34 Y35 D61 E63 E121 G125	P34-F123 WeakPolarHBondContact CA-O 3.36Å; P34-F123 WeakPolarHBondContact CB-O 3.49Å; Y35-F123 HydrophobicContact CD1-CB 4.26Å; Y35-F123 WeakPolarHBondContact CD1-O 3.43Å; Y35-F123 HydrophobicContact CE1-CB 3.36Å; Y35-F123 HydrophobicContact CE1-CG 4.44Å; Y35-F123 PolarHBondContact N-O 3.3Å; D61-F123 WeakPolarHBondContact O-CB 3.31Å; E63-F123 HydrophobicContact CB-CD2 3.86Å; E63-F123 HydrophobicContact CB-CE2 3.54Å; E63-F123 HydrophobicContact CB-CZ 4.1Å; E63-F123 HydrophobicContact CG-CD2 4.47Å; E63-F123 HydrophobicContact CG-CE2 3.68Å; E63-F123 HydrophobicContact CG-CZ 4.1Å; E121-F123 HydrophobicContact CB-CD2 4.46Å; E121-F123 HydrophobicContact CB-CE1 4.28Å; E121-F123 HydrophobicContact CB-CE2 3.76Å; E121-F123 HydrophobicContact CB-CZ 3.65Å; E121-F123 HydrophobicContact CG-CZ 4.4Å; E121-F123 PolarHBondContact O-N 2.66Å; F123-G125 VanDerWaalsContact C-N 3.32Å; F123-G125 PolarHBondContact O-N 3.17Å
124	S	91.2	Very high	89.3	Confident	24 Å²	24	53 Å²	53	17%	0.168	26%	0.259	C	S	.	.			trans	-77.8	-14.4	-175.8	54.8	0	0	0	0	114	F31 H59 D61	F31-S124 WeakPolarHBondContact CD2-O 3.47Å; H59-S124 PolarHBondContact NE2-OG 3.02Å; D61-S124 WeakPolarHBondContact CB-OG 3.3Å; D61-S124 PolarHBondContact OD2-N 3.13Å; D61-S124 PolarHBondContact OD2-OG 3.2Å
125	G	92.8	Very high	89.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.2	-139.7	176.3	0	0	0	0	0	113.1	S28 H59 F60 D61 F123	S28-G125 VanDerWaalsContact OG-CA 3.32Å; S28-G125 WeakPolarHBondContact OG-CA 3.36Å; H59-G125 PolarHBondContact CD2-O 3.15Å; F60-G125 CarbonylContact C-O 3.57Å; D61-G125 PolarHBondContact N-O 2.85Å; D61-G125 VanDerWaalsContact O-CA 3.24Å; D61-G125 WeakPolarHBondContact O-CA 3.3Å; D61-G125 PolarHBondContact O-N 2.82Å; F123-G125 VanDerWaalsContact C-N 3.32Å; F123-G125 PolarHBondContact O-N 3.17Å
126	F	93.5	Very high	88.9	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.6	-173.3	75.2	-88.5	0	0	0	113.8	L26 E27 S28 W43 F57 H59 F60 L62 V73 F113 A128	L26-F126 HydrophobicContact CB-CE2 4.33Å; E27-F126 WeakPolarHBondContact CA-O 3.46Å; S28-F126 PolarHBondContact N-O 2.8Å; S28-F126 PolarHBondContact OG-N 2.85Å; S28-F126 PolarHBondContact OG-O 2.59Å; W43-F126 AromaticContact CH2-CZ 3.89Å; W43-F126 HydrophobicContact CH2-CZ 3.89Å; W43-F126 AromaticContact CZ3-CZ 3.76Å; W43-F126 HydrophobicContact CZ3-CZ 3.76Å; F57-F126 HydrophobicContact CD1-CB 4.21Å; F57-F126 AromaticContact CD1-CD2 3.88Å; F57-F126 HydrophobicContact CD1-CD2 3.88Å; F57-F126 HydrophobicContact CD1-CG 4.34Å; F57-F126 HydrophobicContact CE1-CB 4.46Å; F57-F126 AromaticContact CE1-CD2 3.61Å; F57-F126 HydrophobicContact CE1-CD2 3.61Å; F57-F126 HydrophobicContact CE1-CE2 4.12Å; F57-F126 HydrophobicContact CE1-CG 4.16Å; H59-F126 VanDerWaalsContact O-CA 3.23Å; H59-F126 WeakPolarHBondContact O-CA 3.34Å; H59-F126 WeakPolarHBondContact O-CB 3.41Å; F60-F126 HydrophobicContact CD2-CB 3.71Å; F60-F126 HydrophobicContact CE2-CB 4.19Å; F60-F126 HydrophobicContact CG-CB 4.48Å; L62-F126 HydrophobicContact CD1-CB 4.25Å; L62-F126 HydrophobicContact CD1-CD1 4.25Å; V73-F126 HydrophobicContact CG2-CD1 3.61Å; V73-F126 HydrophobicContact CG2-CE1 3.61Å; V73-F126 HydrophobicContact CG2-CG 4.21Å; V73-F126 HydrophobicContact CG2-CZ 4.2Å; F113-F126 HydrophobicContact CB-CE1 3.82Å; F113-F126 HydrophobicContact CB-CZ 4.25Å; F113-F126 HydrophobicContact CD2-CD1 4.28Å; F113-F126 AromaticContact CD2-CE1 3.8Å; F113-F126 HydrophobicContact CD2-CE1 3.8Å; F113-F126 AromaticContact CG-CE1 3.79Å; F113-F126 HydrophobicContact CG-CE1 3.79Å; F126-A128 HydrophobicContact CD2-CB 4.12Å; F126-A128 HydrophobicContact CE2-CB 4.18Å
127	V	94.8	Very high	88.9	Confident	10 Å²	10	54.7 Å²	54.7	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.8	164.8	-175.9	0	0	0	0	108.1	L26 E27 F31 F57 S58 H59	L26-V127 WeakPolarHBondContact O-CA 3.38Å; E27-V127 HydrophobicContact CG-CG1 4.2Å; E27-V127 HydrophobicContact CG-CG2 4.21Å; F31-V127 HydrophobicContact CD1-CG2 3.57Å; F31-V127 HydrophobicContact CD2-CG2 3.94Å; F31-V127 HydrophobicContact CE1-CG2 3.24Å; F31-V127 HydrophobicContact CE2-CG2 3.66Å; F31-V127 HydrophobicContact CG-CG2 3.93Å; F31-V127 HydrophobicContact CZ-CG2 3.29Å; F57-V127 CarbonylContact C-O 3.56Å; F57-V127 WeakPolarHBondContact CA-O 3.44Å; S58-V127 PolarHBondContact N-O 2.77Å; S58-V127 WeakPolarHBondContact OG-CG1 3.24Å; S58-V127 PolarHBondContact OG-O 2.76Å; H59-V127 HydrophobicContact CB-CB 4.21Å; H59-V127 HydrophobicContact CB-CG2 4.21Å; H59-V127 PolarHBondContact N-O 3.49Å; H59-V127 PolarHBondContact O-N 3.13Å
128	A	94.1	Very high	88.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.8	175.1	0	0	0	0	0	110.3	S25 L26 L55 F56 F57 F126	S25-A128 CarbonylContact C-O 3.56Å; S25-A128 WeakPolarHBondContact CA-O 3.36Å; L26-A128 HydrophobicContact CB-CB 4.36Å; L26-A128 PolarHBondContact N-O 2.79Å; L26-A128 PolarHBondContact O-N 2.88Å; L55-A128 HydrophobicContact CD1-CB 3.86Å; F56-A128 CarbonylContact O-C 3.52Å; F56-A128 VanDerWaalsContact O-CA 3.29Å; F56-A128 WeakPolarHBondContact O-CA 3.49Å; F57-A128 HydrophobicContact CD1-CB 3.63Å; F57-A128 HydrophobicContact CE1-CB 3.62Å; F57-A128 HydrophobicContact CG-CB 4.21Å; F57-A128 HydrophobicContact CZ-CB 4.16Å; F126-A128 HydrophobicContact CD2-CB 4.12Å; F126-A128 HydrophobicContact CE2-CB 4.18Å
129	H	95.3	Very high	89.3	Confident	62 Å²	62	51 Å²	51	29%	0.287	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.8	175.2	-60.2	-78.6	0	0	0	109.2	G24 L55 F56 S58	G24-H129 WeakPolarHBondContact O-CA 3.29Å; L55-H129 WeakPolarHBondContact CA-O 3.4Å; F56-H129 HydrophobicContact CD1-CB 4.24Å; F56-H129 HydrophobicContact CE1-CB 3.65Å; F56-H129 HydrophobicContact CE2-CB 4.02Å; F56-H129 AromaticContact CE2-CD2 3.73Å; F56-H129 HydrophobicContact CZ-CB 3.52Å; F56-H129 AromaticContact CZ-CD2 3.95Å; F56-H129 AromaticContact CZ-CG 3.97Å; F56-H129 PolarHBondContact N-O 2.04Å; F56-H129 PolarHBondContact O-N 3.31Å; S58-H129 PolarHBondContact OG-CD2 2.78Å; S58-H129 VanDerWaalsContact OG-CD2 3.26Å; S58-H129 PolarHBondContact OG-NE2 3.47Å
130	Y	95.4	Very high	89.3	Confident	6 Å²	6	52.9 Å²	52.9	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.8	175.4	70.3	-92.4	0	0	0	111.6	E21 Y23 G24 L26 I45 T54	E21-Y130 WeakPolarHBondContact O-CE2 3.39Å; Y23-Y130 CarbonylContact C-O 3.51Å; Y23-Y130 WeakPolarHBondContact CA-O 3.45Å; G24-Y130 PolarHBondContact N-O 2.92Å; G24-Y130 WeakPolarHBondContact O-CD1 3.43Å; G24-Y130 PolarHBondContact O-N 3Å; L26-Y130 HydrophobicContact CD2-CE1 4.15Å; L26-Y130 HydrophobicContact CG-CD1 4.22Å; L26-Y130 HydrophobicContact CG-CE1 4.34Å; I45-Y130 HydrophobicContact CD1-CD1 3.71Å; I45-Y130 HydrophobicContact CD1-CD2 4.21Å; I45-Y130 HydrophobicContact CD1-CE1 4.29Å; I45-Y130 HydrophobicContact CD1-CG 3.67Å; I45-Y130 HydrophobicContact CG1-CD1 4.3Å; I45-Y130 HydrophobicContact CG1-CE1 4.39Å; I45-Y130 HydrophobicContact CG1-CG 4.4Å; I45-Y130 HydrophobicContact CG2-CD2 3.62Å; I45-Y130 HydrophobicContact CG2-CE2 3.66Å; I45-Y130 HydrophobicContact CG2-CG 4.21Å; T54-Y130 CarbonylContact O-C 3.52Å; T54-Y130 WeakPolarHBondContact O-CA 3.15Å
131	S	95.7	Very high	88.9	Confident	41 Å²	41	50.2 Å²	50.2	29%	0.287	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	145.1	172.6	53.3	0	0	0	0	111.3	M22 T54	M22-S131 CarbonylContact O-C 3.48Å; M22-S131 WeakPolarHBondContact O-CA 3.42Å; T54-S131 PolarHBondContact N-O 3.04Å; T54-S131 PolarHBondContact O-N 3.17Å; T54-S131 PolarHBondContact OG1-O 3.4Å; T54-S131 PolarHBondContact OG1-OG 3.43Å
132	A	94.8	Very high	88	Confident	23 Å²	23	50.9 Å²	50.9	19%	0.19	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.7	168.4	0	0	0	0	0	109	M22 V47 F51 R52	M22-A132 HydrophobicContact CB-CB 4.17Å; M22-A132 WeakPolarHBondContact O-CB 3.06Å; M22-A132 PolarHBondContact O-N 3.23Å; M22-A132 HydrophobicContact SD-CB 3.65Å; V47-A132 HydrophobicContact CB-CB 4.17Å; V47-A132 HydrophobicContact CG1-CB 3.79Å; F51-A132 HydrophobicContact CB-CB 4.28Å; F51-A132 HydrophobicContact CD1-CB 3.94Å; F51-A132 HydrophobicContact CG-CB 4.32Å; R52-A132 CarbonylContact O-C 3.5Å; R52-A132 WeakPolarHBondContact O-CA 3.34Å
133	V	93.4	Very high	86.8	Confident	50 Å²	50	47.2 Å²	47.2	30%	0.303	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.5	175.3	-179.8	0	0	0	0	107.2	F51 R52 T54	F51-V133 CarbonylContact C-O 3.55Å; F51-V133 WeakPolarHBondContact CA-O 3.08Å; R52-V133 HydrophobicContact CG-CB 4.2Å; R52-V133 PolarHBondContact N-O 3.39Å; R52-V133 PolarHBondContact O-N 3.3Å; T54-V133 HydrophobicContact CG2-CB 4.41Å; T54-V133 HydrophobicContact CG2-CG2 3.59Å
134	D	93.3	Very high	85.4	Confident	41 Å²	41	56 Å²	56	22%	0.219	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	136.1	174.9	-173.9	56.2	0	0	0	110.5	F51 N154 I156 G157	F51-D134 HydrophobicContact CD1-CB 4.42Å; F51-D134 HydrophobicContact CE1-CB 4.23Å; D134-N154 PolarHBondContact OD2-ND2 3.01Å; D134-I156 WeakPolarHBondContact OD1-CA 3.4Å; D134-G157 PolarHBondContact OD1-N 3.05Å
135	I	90.4	Very high	84	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.056	33%	0.329	C	S	.	.			trans	-87.4	123.1	172.7	-60.9	173	0	0	0	106.5	G50 R52 E137 N154	G50-I135 WeakPolarHBondContact O-CB 3.42Å; G50-I135 PolarHBondContact O-N 3.25Å; R52-I135 HydrophobicContact CB-CD1 4.38Å; R52-I135 HydrophobicContact CB-CG1 4.24Å; R52-I135 HydrophobicContact CG-CG1 4.29Å; I135-E137 HydrophobicContact CG2-CG 4.12Å; I135-E137 PolarHBondContact O-N 3.4Å; I135-E137 VanDerWaalsContact O-OE2 3.12Å; I135-N154 PolarHBondContact O-OD1 2.93Å
136	D	89.9	Confident	82.9	Confident	54 Å²	54	65.6 Å²	65.6	29%	0.289	36%	0.358	S	S	.	.			trans	-86.1	89.6	171.7	-176.8	-4.8	0	0	0	109.3	C138 S139 E140 N154	D136-C138 PolarHBondContact O-N 2.92Å; D136-C138 WeakPolarHBondContact OD1-CB 3.36Å; D136-C138 PolarHBondContact OD1-N 2.04Å; D136-C138 VanDerWaalsContact OD1-N 3.13Å; D136-S139 VanDerWaalsContact CG-OG 3.28Å; D136-S139 PolarHBondContact O-N 3.35Å; D136-S139 VanDerWaalsContact O-N 3.13Å; D136-S139 PolarHBondContact OD1-N 3.23Å; D136-S139 VanDerWaalsContact OD2-CB 3.31Å; D136-S139 WeakPolarHBondContact OD2-CB 3.4Å; D136-S139 PolarHBondContact OD2-OG 3.13Å; D136-E140 PolarHBondContact O-N 2.78Å; D136-E140 VanDerWaalsContact O-N 3.15Å; D136-N154 WeakPolarHBondContact OD1-CB 3.25Å
137	E	88.9	Confident	82.4	Confident	25 Å²	25	68.1 Å²	68.1	12%	0.117	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.8	-178.6	-59.8	94.8	166.1	0	0	113.1	I135 L147 N154 Y159	I135-E137 HydrophobicContact CG2-CG 4.12Å; I135-E137 PolarHBondContact O-N 3.4Å; I135-E137 VanDerWaalsContact O-OE2 3.12Å; E137-L147 HydrophobicContact CB-CD2 3.69Å; E137-N154 PolarHBondContact OE2-OD1 2.99Å; E137-Y159 HydrophobicContact CB-CD1 3.75Å; E137-Y159 HydrophobicContact CB-CE1 4.23Å; E137-Y159 HydrophobicContact CB-CG 4.15Å; E137-Y159 HydrophobicContact CG-CD1 3.8Å; E137-Y159 HydrophobicContact CG-CE1 4.2Å
138	C	88.2	Confident	82.2	Confident	49 Å²	49	68.2 Å²	68.2	33%	0.331	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-23.9	177.1	-56.5	0	0	0	0	112.9	D136 C152 N154	D136-C138 PolarHBondContact O-N 2.92Å; D136-C138 WeakPolarHBondContact OD1-CB 3.36Å; D136-C138 PolarHBondContact OD1-N 2.04Å; D136-C138 VanDerWaalsContact OD1-N 3.13Å; C138-C152 WeakPolarHBondContact CA-SG 3.48Å; C138-C152 HydrophobicContact CB-CB 3.74Å; C138-C152 WeakPolarHBondContact CB-SG 3.31Å; C138-C152 WeakPolarHBondContact SG-CB 3.49Å; C138-C152 CovalentContact SG-SG 2.04Å; C138-C152 PolarHBondContact SG-SG 3.2Å; C138-N154 PolarHBondContact SG-N 3.2Å; C138-N154 VanDerWaalsContact SG-N 3.4Å
139	S	86.3	Confident	82.1	Confident	84 Å²	84	69.9 Å²	69.9	59%	0.587	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-20.4	-178.2	-64.5	0	0	0	0	113.3	D136 P141	D136-S139 VanDerWaalsContact CG-OG 3.28Å; D136-S139 PolarHBondContact O-N 3.35Å; D136-S139 VanDerWaalsContact O-N 3.13Å; D136-S139 PolarHBondContact OD1-N 3.23Å; D136-S139 VanDerWaalsContact OD2-CB 3.31Å; D136-S139 WeakPolarHBondContact OD2-CB 3.4Å; D136-S139 PolarHBondContact OD2-OG 3.13Å; S139-P141 WeakPolarHBondContact O-CD 3.39Å
140	E	75.8	Confident	82	Confident	81 Å²	81	68.7 Å²	68.7	38%	0.379	38%	0.375	S	S	.	.	S	Bend	trans	-104.2	99	178.5	-66.1	-170.8	179.9	0	0	110.4	R52 D136 R142	R52-E140 IonicContact CZ-OE1 3.67Å; R52-E140 IonicContact NH1-OE1 2.81Å; R52-E140 PolarHBondContact NH1-OE1 3.5Å; R52-E140 IonicContact NH1-OE2 3.86Å; R52-E140 IonicContact NH2-OE1 3.8Å; D136-E140 PolarHBondContact O-N 2.78Å; D136-E140 VanDerWaalsContact O-N 3.15Å; E140-R142 PolarHBondContact O-N 2.9Å
141	P	60.3	Low	81.9	Confident	122 Å²	122	72.9 Å²	72.9	79%	0.792	39%	0.394	S	S	*	.			trans	-66.4	121	178.6	25.5	-31.6	0	0	0	110.4	S139	S139-P141 WeakPolarHBondContact O-CD 3.39Å
142	R	59.9	Low	81.8	Confident	147 Å²	147	73 Å²	73	56%	0.555	39%	0.393	S	S	*	.			trans	-95	106	165.1	-70.3	-173.9	179.2	177.5	4.6	107.2	E140	E140-R142 PolarHBondContact O-N 2.9Å
143	D	60.5	Low	81.8	Confident	147 Å²	147	75.1 Å²	75.1	79%	0.786	40%	0.4	S	S	*	.	S	Bend	trans	64.3	172.1	-179	-58.3	-42.9	0	0	0	115.4	D145	D143-D145 PolarHBondContact O-N 3.37Å
144	E	58	Low	81.7	Confident	198 Å²	198	75.4 Å²	75.4	93%	0.925	40%	0.399	S	S	*	.	S	Bend	trans	-64.4	-7.5	-169.7	-68.3	-173.5	156	0	0	114.4
145	D	63.1	Low	81.7	Confident	134 Å²	134	78.2 Å²	78.2	72%	0.717	41%	0.41	S	S	*	.	S	Bend	trans	-103.9	134.9	-176.7	-68.8	-41.4	0	0	0	113.2	D143 L147	D143-D145 PolarHBondContact O-N 3.37Å; D145-L147 PolarHBondContact O-N 2.93Å
146	P	69.9	Low	81.8	Confident	93 Å²	93	84.3 Å²	84.3	60%	0.604	44%	0.441	S	S	*	.			trans	-68.1	130.6	179.1	26.1	-31.6	0	0	0	111.9	C148	P146-C148 VanDerWaalsContact C-N 3.25Å; P146-C148 PolarHBondContact O-N 2.87Å
147	L	83.4	Confident	81.7	Confident	52 Å²	52	83 Å²	83	27%	0.272	44%	0.441	S	S	.	.	S	Bend	trans	-59	-31	-178.8	-151.2	86.6	0	0	0	114.3	E137 D145 Y159 H174	E137-L147 HydrophobicContact CB-CD2 3.69Å; D145-L147 PolarHBondContact O-N 2.93Å; L147-Y159 HydrophobicContact CD2-CD1 4.05Å; L147-Y159 HydrophobicContact CD2-CD2 3.64Å; L147-Y159 HydrophobicContact CD2-CE1 3.68Å; L147-Y159 HydrophobicContact CD2-CE2 3.22Å; L147-Y159 HydrophobicContact CD2-CG 4.02Å; L147-Y159 HydrophobicContact CG-CE2 3.77Å; L147-Y159 WeakPolarHBondContact CG-OH 3.44Å; L147-H174 PolarHBondContact O-ND1 3.05Å
148	C	90.6	Very high	81.8	Confident	12 Å²	12	82.2 Å²	82.2	8%	0.081	44%	0.439	C	S	.	.	S	Bend	trans	-132	137.1	177.1	-66.6	0	0	0	0	109.1	P146 H150 C152 C161	P146-C148 VanDerWaalsContact C-N 3.25Å; P146-C148 PolarHBondContact O-N 2.87Å; C148-H150 PolarHBondContact O-N 2.87Å; C148-C152 HydrophobicContact CB-CB 4Å; C148-C161 WeakPolarHBondContact CA-SG 3.44Å; C148-C161 HydrophobicContact CB-CB 3.63Å; C148-C161 WeakPolarHBondContact CB-SG 3.44Å; C148-C161 WeakPolarHBondContact SG-CA 3.46Å; C148-C161 WeakPolarHBondContact SG-CB 3.47Å; C148-C161 CovalentContact SG-SG 2.03Å; C148-C161 PolarHBondContact SG-SG 2.88Å
149	D	90.9	Very high	82	Confident	35 Å²	35	83.2 Å²	83.2	19%	0.187	44%	0.436	C	S	.	.	S	Bend	trans	-65	-36.8	-176.2	-174	37.3	0	0	0	113.3	H174 C176 K203	D149-H174 WeakPolarHBondContact CB-O 3.42Å; D149-H174 PolarHBondContact N-O 2.84Å; D149-C176 WeakPolarHBondContact OD2-CB 3.44Å; D149-C176 PolarHBondContact OD2-N 3.06Å; D149-K203 IonicContact OD1-NZ 3.49Å; D149-K203 PolarHBondContact OD1-NZ 3.43Å
150	H	92.8	Very high	82.4	Confident	37 Å²	37	85.1 Å²	85.1	17%	0.171	43%	0.431	C	S	.	.	S	Bend	trans	-119.7	-66.9	-179	-76.7	156.1	0	0	0	114.6	C148 S162 R164 Y167 C176	C148-H150 PolarHBondContact O-N 2.87Å; H150-S162 WeakPolarHBondContact CB-O 3.41Å; H150-R164 HydrophobicContact CB-CG 4.34Å; H150-R164 PolarHBondContact ND1-N 3.46Å; H150-Y167 AromaticContact CE1-CD1 3.52Å; H150-Y167 AromaticContact CE1-CE1 3.68Å; H150-Y167 AromaticContact CE1-CG 3.72Å; H150-C176 VanDerWaalsContact ND1-CB 3.29Å; H150-C176 WeakPolarHBondContact ND1-CB 3.33Å; H150-C176 PolarHBondContact ND1-SG 3.37Å
151	F	94.2	Very high	83.3	Confident	95 Å²	95	81.6 Å²	81.6	42%	0.417	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.7	-176.2	-55.5	-62.5	0	0	0	110	C161 S162 R164	F151-C161 CarbonylContact O-C 3.56Å; F151-C161 WeakPolarHBondContact O-CA 3.46Å; F151-S162 WeakPolarHBondContact CB-OG 3.49Å; F151-S162 PolarHBondContact N-O 3.11Å; F151-S162 VanDerWaalsContact N-O 3.12Å; F151-S162 PolarHBondContact O-N 2.81Å; F151-R164 HydrophobicContact CE2-CB 4.31Å; F151-R164 HydrophobicContact CE2-CG 3.54Å; F151-R164 HydrophobicContact CZ-CG 3.65Å
152	C	93.8	Very high	85	Confident	42 Å²	42	77.3 Å²	77.3	28%	0.284	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.4	172.1	-174.2	0	0	0	0	109.9	C138 C148	C138-C152 WeakPolarHBondContact CA-SG 3.48Å; C138-C152 HydrophobicContact CB-CB 3.74Å; C138-C152 WeakPolarHBondContact CB-SG 3.31Å; C138-C152 WeakPolarHBondContact SG-CB 3.49Å; C138-C152 CovalentContact SG-SG 2.04Å; C138-C152 PolarHBondContact SG-SG 3.2Å; C148-C152 HydrophobicContact CB-CB 4Å
153	H	94.1	Very high	86.8	Confident	69 Å²	69	71.7 Å²	71.7	32%	0.319	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111	176.2	-59.7	-84.9	0	0	0	109.7	Y159 Y160 S162	H153-Y159 CarbonylContact O-C 3.59Å; H153-Y159 VanDerWaalsContact O-CA 3.25Å; H153-Y159 WeakPolarHBondContact O-CA 3.5Å; H153-Y159 WeakPolarHBondContact O-CB 3.32Å; H153-Y160 HydrophobicContact CB-CD1 4.08Å; H153-Y160 HydrophobicContact CB-CD2 4.24Å; H153-Y160 HydrophobicContact CB-CE1 3.63Å; H153-Y160 HydrophobicContact CB-CE2 3.79Å; H153-Y160 HydrophobicContact CB-CG 4.35Å; H153-Y160 VanDerWaalsContact CB-CZ 3.46Å; H153-Y160 AromaticContact CD2-CE2 3.49Å; H153-Y160 VanDerWaalsContact CD2-CE2 3.49Å; H153-Y160 WeakPolarHBondContact CD2-CE2 3.06Å; H153-Y160 AromaticContact CD2-CZ 3.96Å; H153-Y160 AromaticContact CG-CE2 3.76Å; H153-Y160 AromaticContact CG-CZ 3.73Å; H153-Y160 PolarHBondContact N-O 2.92Å; H153-Y160 PolarHBondContact O-N 3.39Å; H153-S162 PolarHBondContact CD2-OG 3.22Å; H153-S162 PolarHBondContact NE2-OG 2.83Å
154	N	91.8	Very high	88.4	Confident	55 Å²	55	71.4 Å²	71.4	29%	0.294	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	143.3	174.3	-172.8	46.9	0	0	0	111.1	D134 I135 D136 E137 C138 G158	D134-N154 PolarHBondContact OD2-ND2 3.01Å; I135-N154 PolarHBondContact O-OD1 2.93Å; D136-N154 WeakPolarHBondContact OD1-CB 3.25Å; E137-N154 PolarHBondContact OE2-OD1 2.99Å; C138-N154 PolarHBondContact SG-N 3.2Å; C138-N154 VanDerWaalsContact SG-N 3.4Å; N154-G158 PolarHBondContact OD1-O 3.12Å
155	F	93.4	Very high	90.1	Very high	100 Å²	100	73.1 Å²	73.1	44%	0.439	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.3	169.9	67	-93.8	0	0	0	110	G157 G158 Y160	F155-G157 PolarHBondContact O-N 2.91Å; F155-G158 CarbonylContact C-O 3.41Å; F155-G158 WeakPolarHBondContact CD1-O 3.12Å; F155-G158 VanDerWaalsContact CE1-C 3.47Å; F155-G158 WeakPolarHBondContact CE1-O 3.03Å; F155-G158 WeakPolarHBondContact CG-O 3.39Å; F155-G158 PolarHBondContact N-O 2.03Å; F155-G158 PolarHBondContact O-N 3.45Å; F155-Y160 AromaticContact CD1-CD1 3.81Å; F155-Y160 HydrophobicContact CD1-CD1 3.81Å; F155-Y160 HydrophobicContact CD1-CE1 4.27Å; F155-Y160 AromaticContact CE1-CD1 3.97Å; F155-Y160 HydrophobicContact CE1-CD1 3.97Å
156	I	92.4	Very high	91.4	Very high	140 Å²	140	69.5 Å²	69.5	72%	0.718	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	109.2	-178.4	-63.4	171.9	0	0	0	110.5	F51 D134	F51-I156 HydrophobicContact CE1-CG2 3.88Å; F51-I156 HydrophobicContact CZ-CG2 3.59Å; D134-I156 WeakPolarHBondContact OD1-CA 3.4Å
157	G	88.5	Confident	92.7	Very high	27 Å²	27	67.1 Å²	67.1	28%	0.278	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	11.1	-179.6	0	0	0	0	0	116	D134 F155	D134-G157 PolarHBondContact OD1-N 3.05Å; F155-G157 PolarHBondContact O-N 2.91Å
158	G	90.7	Very high	93.3	Very high	8 Å²	8	68.9 Å²	68.9	8%	0.082	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-162.3	169.2	0	0	0	0	0	114	N154 F155	N154-G158 PolarHBondContact OD1-O 3.12Å; F155-G158 CarbonylContact C-O 3.41Å; F155-G158 WeakPolarHBondContact CD1-O 3.12Å; F155-G158 VanDerWaalsContact CE1-C 3.47Å; F155-G158 WeakPolarHBondContact CE1-O 3.03Å; F155-G158 WeakPolarHBondContact CG-O 3.39Å; F155-G158 PolarHBondContact N-O 2.03Å; F155-G158 PolarHBondContact O-N 3.45Å
159	Y	92.4	Very high	93.5	Very high	69 Å²	69	71.5 Å²	71.5	27%	0.271	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	167.9	-175.8	72.7	-76.5	0	0	0	112.4	E137 L147 H153 H174	E137-Y159 HydrophobicContact CB-CD1 3.75Å; E137-Y159 HydrophobicContact CB-CE1 4.23Å; E137-Y159 HydrophobicContact CB-CG 4.15Å; E137-Y159 HydrophobicContact CG-CD1 3.8Å; E137-Y159 HydrophobicContact CG-CE1 4.2Å; L147-Y159 HydrophobicContact CD2-CD1 4.05Å; L147-Y159 HydrophobicContact CD2-CD2 3.64Å; L147-Y159 HydrophobicContact CD2-CE1 3.68Å; L147-Y159 HydrophobicContact CD2-CE2 3.22Å; L147-Y159 HydrophobicContact CD2-CG 4.02Å; L147-Y159 HydrophobicContact CG-CE2 3.77Å; L147-Y159 WeakPolarHBondContact CG-OH 3.44Å; H153-Y159 CarbonylContact O-C 3.59Å; H153-Y159 VanDerWaalsContact O-CA 3.25Å; H153-Y159 WeakPolarHBondContact O-CA 3.5Å; H153-Y159 WeakPolarHBondContact O-CB 3.32Å; Y159-H174 AromaticContact CE2-CE1 3.77Å; Y159-H174 AromaticContact CZ-CE1 3.81Å; Y159-H174 PolarHBondContact OH-CE1 2.9Å
160	Y	94	Very high	93.7	Very high	125 Å²	125	72.4 Å²	72.4	49%	0.49	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153	166.2	67.4	-88.6	0	0	0	111.5	H153 F155	H153-Y160 HydrophobicContact CB-CD1 4.08Å; H153-Y160 HydrophobicContact CB-CD2 4.24Å; H153-Y160 HydrophobicContact CB-CE1 3.63Å; H153-Y160 HydrophobicContact CB-CE2 3.79Å; H153-Y160 HydrophobicContact CB-CG 4.35Å; H153-Y160 VanDerWaalsContact CB-CZ 3.46Å; H153-Y160 AromaticContact CD2-CE2 3.49Å; H153-Y160 VanDerWaalsContact CD2-CE2 3.49Å; H153-Y160 WeakPolarHBondContact CD2-CE2 3.06Å; H153-Y160 AromaticContact CD2-CZ 3.96Å; H153-Y160 AromaticContact CG-CE2 3.76Å; H153-Y160 AromaticContact CG-CZ 3.73Å; H153-Y160 PolarHBondContact N-O 2.92Å; H153-Y160 PolarHBondContact O-N 3.39Å; F155-Y160 AromaticContact CD1-CD1 3.81Å; F155-Y160 HydrophobicContact CD1-CD1 3.81Å; F155-Y160 HydrophobicContact CD1-CE1 4.27Å; F155-Y160 AromaticContact CE1-CD1 3.97Å; F155-Y160 HydrophobicContact CE1-CD1 3.97Å
161	C	95.6	Very high	93.8	Very high	6 Å²	6	76.6 Å²	76.6	4%	0.041	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	153.4	176.6	-51.1	0	0	0	0	111.6	C148 F151 L169 N173	C148-C161 WeakPolarHBondContact CA-SG 3.44Å; C148-C161 HydrophobicContact CB-CB 3.63Å; C148-C161 WeakPolarHBondContact CB-SG 3.44Å; C148-C161 WeakPolarHBondContact SG-CA 3.46Å; C148-C161 WeakPolarHBondContact SG-CB 3.47Å; C148-C161 CovalentContact SG-SG 2.03Å; C148-C161 PolarHBondContact SG-SG 2.88Å; F151-C161 CarbonylContact O-C 3.56Å; F151-C161 WeakPolarHBondContact O-CA 3.46Å; C161-L169 HydrophobicContact CB-CD1 4.07Å; C161-N173 VanDerWaalsContact CB-O 3.28Å; C161-N173 WeakPolarHBondContact CB-O 3.48Å; C161-N173 PolarHBondContact SG-O 3.19Å
162	S	95.9	Very high	93.7	Very high	33 Å²	33	74.2 Å²	74.2	23%	0.231	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.8	170.8	73.8	0	0	0	0	111.1	H150 F151 H153	H150-S162 WeakPolarHBondContact CB-O 3.41Å; F151-S162 WeakPolarHBondContact CB-OG 3.49Å; F151-S162 PolarHBondContact N-O 3.11Å; F151-S162 VanDerWaalsContact N-O 3.12Å; F151-S162 PolarHBondContact O-N 2.81Å; H153-S162 PolarHBondContact CD2-OG 3.22Å; H153-S162 PolarHBondContact NE2-OG 2.83Å
163	C	96.2	Very high	93.7	Very high	28 Å²	28	77.2 Å²	77.2	19%	0.189	39%	0.388	C	S	.	.			trans	-108.8	156.1	-172.1	-58	0	0	0	0	113.6	L169 C176	C163-L169 VanDerWaalsContact SG-CA 3.53Å; C163-L169 PolarHBondContact SG-N 3.13Å; C163-C176 WeakPolarHBondContact CA-SG 3.3Å; C163-C176 HydrophobicContact CB-CB 3.79Å; C163-C176 WeakPolarHBondContact CB-SG 3.39Å; C163-C176 VanDerWaalsContact SG-CA 3.53Å; C163-C176 WeakPolarHBondContact SG-CB 3.49Å; C163-C176 CovalentContact SG-SG 2.03Å; C163-C176 PolarHBondContact SG-SG 2.83Å
164	R	95.2	Very high	93.6	Very high	141 Å²	141	77.1 Å²	77.1	53%	0.532	39%	0.388	S	S	.	.			trans	-60.3	157.1	168.6	-67.5	175.4	-176.2	168.3	5	111.1	H150 F151 G166 Y167	H150-R164 HydrophobicContact CB-CG 4.34Å; H150-R164 PolarHBondContact ND1-N 3.46Å; F151-R164 HydrophobicContact CE2-CB 4.31Å; F151-R164 HydrophobicContact CE2-CG 3.54Å; F151-R164 HydrophobicContact CZ-CG 3.65Å; R164-G166 PolarHBondContact O-N 2.75Å; R164-Y167 HydrophobicContact CB-CD2 4.14Å; R164-Y167 WeakPolarHBondContact O-CB 3.5Å; R164-Y167 PolarHBondContact O-N 3.15Å; R164-Y167 VanDerWaalsContact O-N 3.1Å
165	Y	93.3	Very high	93.7	Very high	235 Å²	235	74.9 Å²	74.9	92%	0.922	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	132	175.5	-178.9	-92.9	0	0	0	111.1
166	G	91.4	Very high	93.8	Very high	58 Å²	58	70.1 Å²	70.1	60%	0.598	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	-7.2	-176.5	0	0	0	0	0	115	R164	R164-G166 PolarHBondContact O-N 2.75Å
167	Y	96	Very high	93.9	Very high	43 Å²	43	67.7 Å²	67.7	17%	0.169	34%	0.337	C	S	.	.			trans	-107.5	159.5	175.8	-69.5	-108.6	0	0	0	110.8	H150 R164 C176 R177 V178 N196 P202	H150-Y167 AromaticContact CE1-CD1 3.52Å; H150-Y167 AromaticContact CE1-CE1 3.68Å; H150-Y167 AromaticContact CE1-CG 3.72Å; R164-Y167 HydrophobicContact CB-CD2 4.14Å; R164-Y167 WeakPolarHBondContact O-CB 3.5Å; R164-Y167 PolarHBondContact O-N 3.15Å; R164-Y167 VanDerWaalsContact O-N 3.1Å; Y167-C176 HydrophobicContact CD1-CB 3.97Å; Y167-C176 WeakPolarHBondContact CD1-O 3.43Å; Y167-C176 HydrophobicContact CG-CB 4.42Å; Y167-R177 CarbonylContact C-O 3.54Å; Y167-R177 WeakPolarHBondContact CA-O 3.15Å; Y167-V178 HydrophobicContact CD1-CG1 3.36Å; Y167-V178 HydrophobicContact CD2-CG1 4.32Å; Y167-V178 HydrophobicContact CE1-CG1 3.37Å; Y167-V178 HydrophobicContact CE2-CG1 4.26Å; Y167-V178 HydrophobicContact CG-CG1 3.87Å; Y167-N196 PolarHBondContact OH-ND2 3Å; Y167-N196 PolarHBondContact OH-OD1 2.89Å; Y167-P202 HydrophobicContact CD1-CB 4.36Å; Y167-P202 HydrophobicContact CE1-CB 3.7Å; Y167-P202 HydrophobicContact CE1-CG 3.56Å
168	Q	95.6	Very high	94.3	Very high	89 Å²	89	67 Å²	67	42%	0.416	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.1	176.4	-62.1	177.8	16.8	0	0	109	H170 C176 R177	Q168-H170 PolarHBondContact O-N 3.42Å; Q168-C176 CarbonylContact O-C 3.49Å; Q168-C176 WeakPolarHBondContact O-CA 3.38Å; Q168-R177 HydrophobicContact CB-CG 4.13Å; Q168-R177 PolarHBondContact N-O 3.44Å; Q168-R177 PolarHBondContact O-N 2.74Å
169	L	96.2	Very high	94.4	Very high	67 Å²	67	72.3 Å²	72.3	35%	0.351	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	128.2	172.9	-167.4	68.4	0	0	0	108.7	C161 C163 N173	C161-L169 HydrophobicContact CB-CD1 4.07Å; C163-L169 VanDerWaalsContact SG-CA 3.53Å; C163-L169 PolarHBondContact SG-N 3.13Å; L169-N173 HydrophobicContact CD2-CB 4.39Å
170	H	95.1	Very high	94.4	Very high	54 Å²	54	69.8 Å²	69.8	25%	0.25	35%	0.347	C	S	.	.			trans	-73.2	170.1	178.5	-177	-117.4	0	0	0	111	Q168 D172 N173 T175	Q168-H170 PolarHBondContact O-N 3.42Å; H170-D172 IonicContact CE1-OD2 3.7Å; H170-D172 IonicContact CG-OD2 2.62Å; H170-D172 IonicContact ND1-OD1 2.89Å; H170-D172 IonicContact ND1-OD2 3.32Å; H170-D172 PolarHBondContact ND1-OD2 3.29Å; H170-D172 PolarHBondContact O-N 3.41Å; H170-N173 PolarHBondContact O-N 2.76Å; H170-T175 WeakPolarHBondContact CB-O 2.87Å; H170-T175 WeakPolarHBondContact CB-OG1 3.05Å; H170-T175 PolarHBondContact N-O 3.26Å
171	T	93.8	Very high	94.2	Very high	125 Å²	125	66 Å²	66	77%	0.767	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.3	-177.1	48.6	0	0	0	0	113.9	N173	T171-N173 PolarHBondContact O-N 2.47Å
172	D	92	Very high	93.6	Very high	45 Å²	45	69 Å²	69	24%	0.241	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.3	169.1	57.5	26.1	0	0	0	112.9	H170 H174 T175	H170-D172 IonicContact CE1-OD2 3.7Å; H170-D172 IonicContact CG-OD2 2.62Å; H170-D172 IonicContact ND1-OD1 2.89Å; H170-D172 IonicContact ND1-OD2 3.32Å; H170-D172 PolarHBondContact ND1-OD2 3.29Å; H170-D172 PolarHBondContact O-N 3.41Å; D172-H174 PolarHBondContact O-CD2 3.39Å; D172-H174 PolarHBondContact O-N 3.13Å; D172-H174 PolarHBondContact OD1-N 2.88Å; D172-T175 PolarHBondContact OD1-N 2.91Å; D172-T175 PolarHBondContact OD1-OG1 3.3Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.32Å; D172-T175 PolarHBondContact OD2-OG1 3.23Å
173	N	93.7	Very high	93	Very high	104 Å²	104	71.2 Å²	71.2	56%	0.556	38%	0.382	S	S	*	.	S	Bend	trans	62.1	15.4	-172.2	-58.5	-30.1	0	0	0	115.3	C161 L169 H170 T171	C161-N173 VanDerWaalsContact CB-O 3.28Å; C161-N173 WeakPolarHBondContact CB-O 3.48Å; C161-N173 PolarHBondContact SG-O 3.19Å; L169-N173 HydrophobicContact CD2-CB 4.39Å; H170-N173 PolarHBondContact O-N 2.76Å; T171-N173 PolarHBondContact O-N 2.47Å
174	H	91.9	Very high	92.9	Very high	67 Å²	67	72.8 Å²	72.8	31%	0.31	39%	0.391	S	S	.	.	S	Bend	trans	-121.1	-48.6	-178.1	-70.1	-70.6	0	0	0	113	L147 D149 Y159 D172	L147-H174 PolarHBondContact O-ND1 3.05Å; D149-H174 WeakPolarHBondContact CB-O 3.42Å; D149-H174 PolarHBondContact N-O 2.84Å; Y159-H174 AromaticContact CE2-CE1 3.77Å; Y159-H174 AromaticContact CZ-CE1 3.81Å; Y159-H174 PolarHBondContact OH-CE1 2.9Å; D172-H174 PolarHBondContact O-CD2 3.39Å; D172-H174 PolarHBondContact O-N 3.13Å; D172-H174 PolarHBondContact OD1-N 2.88Å
175	T	94.4	Very high	92.8	Very high	9 Å²	9	68.7 Å²	68.7	6%	0.055	38%	0.377	C	S	.	.			trans	-91.5	153.7	-172.7	65.4	0	0	0	0	112.5	H170 D172 K203 S204 D278	H170-T175 WeakPolarHBondContact CB-O 2.87Å; H170-T175 WeakPolarHBondContact CB-OG1 3.05Å; H170-T175 PolarHBondContact N-O 3.26Å; D172-T175 PolarHBondContact OD1-N 2.91Å; D172-T175 PolarHBondContact OD1-OG1 3.3Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.32Å; D172-T175 PolarHBondContact OD2-OG1 3.23Å; T175-K203 HydrophobicContact CG2-CB 4.37Å; T175-K203 HydrophobicContact CG2-CD 4.44Å; T175-S204 WeakPolarHBondContact OG1-CB 3.17Å; T175-S204 PolarHBondContact OG1-OG 2.89Å; T175-S204 VanDerWaalsContact OG1-OG 3.11Å; T175-D278 HydrophobicContact CG2-CB 3.9Å
176	C	95.4	Very high	92.9	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	105.4	-178.2	-68.8	0	0	0	0	111.1	D149 H150 C163 Y167 Q168	D149-C176 WeakPolarHBondContact OD2-CB 3.44Å; D149-C176 PolarHBondContact OD2-N 3.06Å; H150-C176 VanDerWaalsContact ND1-CB 3.29Å; H150-C176 WeakPolarHBondContact ND1-CB 3.33Å; H150-C176 PolarHBondContact ND1-SG 3.37Å; C163-C176 WeakPolarHBondContact CA-SG 3.3Å; C163-C176 HydrophobicContact CB-CB 3.79Å; C163-C176 WeakPolarHBondContact CB-SG 3.39Å; C163-C176 VanDerWaalsContact SG-CA 3.53Å; C163-C176 WeakPolarHBondContact SG-CB 3.49Å; C163-C176 CovalentContact SG-SG 2.03Å; C163-C176 PolarHBondContact SG-SG 2.83Å; Y167-C176 HydrophobicContact CD1-CB 3.97Å; Y167-C176 WeakPolarHBondContact CD1-O 3.43Å; Y167-C176 HydrophobicContact CG-CB 4.42Å; Q168-C176 CarbonylContact O-C 3.49Å; Q168-C176 WeakPolarHBondContact O-CA 3.38Å
177	R	95.5	Very high	93.1	Very high	89 Å²	89	69.1 Å²	69.1	34%	0.336	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	164.9	178	77.6	-173.3	-165.6	102	10.2	112.8	Y167 Q168 K203 S204 S205	Y167-R177 CarbonylContact C-O 3.54Å; Y167-R177 WeakPolarHBondContact CA-O 3.15Å; Q168-R177 HydrophobicContact CB-CG 4.13Å; Q168-R177 PolarHBondContact N-O 3.44Å; Q168-R177 PolarHBondContact O-N 2.74Å; R177-K203 WeakPolarHBondContact CA-O 3.32Å; R177-S204 WeakPolarHBondContact CB-O 3.45Å; R177-S205 WeakPolarHBondContact CA-OG 3.27Å
178	V	95.8	Very high	93	Very high	13 Å²	13	73.2 Å²	73.2	8%	0.079	38%	0.381	C	S	.	.			trans	-122.5	152.2	173.1	-65.5	0	0	0	0	112.1	Y167 C180 V195 P202 S205	Y167-V178 HydrophobicContact CD1-CG1 3.36Å; Y167-V178 HydrophobicContact CD2-CG1 4.32Å; Y167-V178 HydrophobicContact CE1-CG1 3.37Å; Y167-V178 HydrophobicContact CE2-CG1 4.26Å; Y167-V178 HydrophobicContact CG-CG1 3.87Å; V178-C180 HydrophobicContact CG2-CB 4.1Å; V178-V195 HydrophobicContact CG2-CB 4.44Å; V178-V195 HydrophobicContact CG2-CG1 4.47Å; V178-V195 HydrophobicContact CG2-CG2 4.07Å; V178-P202 HydrophobicContact CB-CG 4.37Å; V178-P202 HydrophobicContact CG1-CB 3.96Å; V178-P202 HydrophobicContact CG1-CG 3.7Å; V178-P202 HydrophobicContact CG2-CB 3.89Å; V178-P202 HydrophobicContact CG2-CG 3.72Å; V178-S205 PolarHBondContact N-OG 3.11Å
179	D	93.3	Very high	93	Very high	118 Å²	118	72.3 Å²	72.3	63%	0.631	38%	0.384	S	S	*	.			trans	-92.1	97.5	165.5	-168.7	3.1	0	0	0	109.3
180	C	91.9	Very high	93	Very high	17 Å²	17	70.2 Å²	70.2	12%	0.115	38%	0.378	C	S	.	.			trans	-111.3	12.2	-175	43	0	0	0	0	112.5	V178 V195 C207	V178-C180 HydrophobicContact CG2-CB 4.1Å; C180-V195 HydrophobicContact CB-CG2 3.92Å; C180-C207 HydrophobicContact CB-CB 3.76Å; C180-C207 WeakPolarHBondContact CB-SG 3.44Å; C180-C207 WeakPolarHBondContact SG-CA 3.22Å; C180-C207 WeakPolarHBondContact SG-CB 3.26Å; C180-C207 CovalentContact SG-SG 2.01Å; C180-C207 PolarHBondContact SG-SG 2.88Å
181	S	90.9	Very high	93.1	Very high	44 Å²	44	70.9 Å²	70.9	31%	0.308	39%	0.386	S	S	.	.			trans	-104.2	154.2	-174.5	-70.4	0	0	0	0	112.1	D206 W208	S181-D206 PolarHBondContact OG-O 2.96Å; S181-D206 VanDerWaalsContact OG-O 3.07Å; S181-W208 PolarHBondContact OG-N 2.78Å
182	G	81.1	Confident	93.2	Very high	71 Å²	71	65.1 Å²	65.1	73%	0.732	35%	0.351	S	S	*	.			trans	103.1	1.9	172.2	0	0	0	0	0	115.9
183	V	84.5	Confident	93.4	Very high	78 Å²	78	65.9 Å²	65.9	47%	0.473	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.8	174.2	-171.7	0	0	0	0	110.4	F185 R210	V183-F185 HydrophobicContact CB-CE2 3.85Å; V183-F185 HydrophobicContact CB-CZ 4.22Å; V183-F185 HydrophobicContact CG1-CD2 4.09Å; V183-F185 HydrophobicContact CG1-CE1 4.2Å; V183-F185 HydrophobicContact CG1-CE2 3.43Å; V183-F185 VanDerWaalsContact CG1-CE2 3.43Å; V183-F185 HydrophobicContact CG1-CZ 3.51Å; V183-R210 PolarHBondContact O-N 3.41Å
184	V	93	Very high	93.5	Very high	62 Å²	62	60.9 Å²	60.9	38%	0.376	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.7	175	-172.8	0	0	0	0	110.2	R186 R210 E212	V184-R186 HydrophobicContact CG1-CG 4.24Å; V184-R210 CarbonylContact C-O 3.58Å; V184-R210 VanDerWaalsContact CA-O 3.28Å; V184-R210 WeakPolarHBondContact CA-O 3.13Å; V184-R210 HydrophobicContact CG1-CG 4.44Å; V184-R210 HydrophobicContact CG2-CB 4.36Å; V184-E212 HydrophobicContact CG1-CB 3.82Å
185	F	94.9	Very high	93.7	Very high	54 Å²	54	59.5 Å²	59.5	24%	0.237	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.7	-179.6	-62.7	-96	0	0	0	110	V183 L192 Y209 R210 I211 E212 Y289	V183-F185 HydrophobicContact CB-CE2 3.85Å; V183-F185 HydrophobicContact CB-CZ 4.22Å; V183-F185 HydrophobicContact CG1-CD2 4.09Å; V183-F185 HydrophobicContact CG1-CE1 4.2Å; V183-F185 HydrophobicContact CG1-CE2 3.43Å; V183-F185 VanDerWaalsContact CG1-CE2 3.43Å; V183-F185 HydrophobicContact CG1-CZ 3.51Å; F185-L192 HydrophobicContact CD1-CD2 4.23Å; F185-L192 HydrophobicContact CD2-CD2 3.8Å; F185-L192 HydrophobicContact CE1-CD2 3.74Å; F185-L192 HydrophobicContact CE2-CD2 3.28Å; F185-L192 HydrophobicContact CG-CD2 4.27Å; F185-L192 HydrophobicContact CZ-CD2 3.24Å; F185-Y209 HydrophobicContact CE2-CD1 4.38Å; F185-R210 PolarHBondContact N-O 3.17Å; F185-I211 HydrophobicContact CB-CG1 4.31Å; F185-I211 WeakPolarHBondContact O-CA 3.25Å; F185-E212 PolarHBondContact O-N 3.06Å; F185-Y289 HydrophobicContact CB-CE1 4.28Å
186	R	95.4	Very high	93.7	Very high	157 Å²	157	62.9 Å²	62.9	59%	0.592	34%	0.342	S	S	*	.			trans	-112.3	-4.3	-176.6	-61.7	-175.3	177.4	-80.4	-3.4	114.1	V184 E212	V184-R186 HydrophobicContact CG1-CG 4.24Å; R186-E212 IonicContact CZ-OE1 3.15Å; R186-E212 IonicContact NH1-OE1 3.81Å; R186-E212 PolarHBondContact NH1-OE1 3.26Å; R186-E212 IonicContact NH2-OE1 3.42Å; R186-E212 PolarHBondContact NH2-OE1 2.77Å
187	E	94.9	Very high	93.7	Very high	146 Å²	146	64.2 Å²	64.2	68%	0.682	35%	0.348	S	S	*	.	S	Bend	trans	-78.3	147.9	179.6	-63.1	-172.7	176.9	0	0	111.4	S189 L213 Y289	E187-S189 PolarHBondContact O-N 3.36Å; E187-S189 VanDerWaalsContact O-N 3.1Å; E187-L213 VanDerWaalsContact O-CD2 3.3Å; E187-L213 WeakPolarHBondContact O-CD2 3.38Å; E187-Y289 WeakPolarHBondContact O-CE2 3.5Å; E187-Y289 PolarHBondContact O-OH 3.12Å
188	R	92.8	Very high	93.7	Very high	129 Å²	129	63.6 Å²	63.6	49%	0.487	36%	0.355	S	S	.	.	S	Bend	trans	-62.9	-17.2	-178	-70.4	-169.9	-177.1	-172.6	3	113.9	F217 S290 A291	R188-F217 VanDerWaalsContact CZ-CZ 3.45Å; R188-S290 CarbonylContact O-C 3.54Å; R188-S290 WeakPolarHBondContact O-CA 3.41Å; R188-A291 HydrophobicContact CB-CB 4.01Å; R188-A291 HydrophobicContact CG-CB 4.3Å; R188-A291 WeakPolarHBondContact O-CB 3.22Å; R188-A291 PolarHBondContact O-N 3.41Å
189	S	96.6	Very high	93.7	Very high	70 Å²	70	65.1 Å²	65.1	49%	0.49	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	151.8	173.2	56.4	0	0	0	0	109.6	E187 Y289	E187-S189 PolarHBondContact O-N 3.36Å; E187-S189 VanDerWaalsContact O-N 3.1Å; S189-Y289 CarbonylContact C-O 3.51Å; S189-Y289 WeakPolarHBondContact CA-O 3.38Å; S189-Y289 WeakPolarHBondContact CB-O 3.41Å
190	G	96.3	Very high	93.8	Very high	22 Å²	22	61.5 Å²	61.5	23%	0.227	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	179.2	178.5	0	0	0	0	0	112.4	S288 Y289	G190-S288 CarbonylContact O-C 3.57Å; G190-S288 VanDerWaalsContact O-CA 3.3Å; G190-S288 WeakPolarHBondContact O-CA 3.4Å; G190-Y289 VanDerWaalsContact CA-CE1 3.42Å; G190-Y289 PolarHBondContact N-O 2.73Å; G190-Y289 WeakPolarHBondContact O-CD1 3.49Å; G190-Y289 PolarHBondContact O-N 2.86Å
191	V	96.7	Very high	94	Very high	68 Å²	68	61.2 Å²	61.2	41%	0.412	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.4	179.7	179.4	0	0	0	0	108.9	R286 L287	V191-R286 HydrophobicContact CG1-CG 4.15Å; V191-L287 WeakPolarHBondContact CA-O 3.32Å; V191-L287 WeakPolarHBondContact CG1-O 3.49Å
192	L	95.8	Very high	94.3	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149	178.5	-69	161.6	0	0	0	108.9	F185 Y209 I211 I272 W285 R286 L287 Y289	F185-L192 HydrophobicContact CD1-CD2 4.23Å; F185-L192 HydrophobicContact CD2-CD2 3.8Å; F185-L192 HydrophobicContact CE1-CD2 3.74Å; F185-L192 HydrophobicContact CE2-CD2 3.28Å; F185-L192 HydrophobicContact CG-CD2 4.27Å; F185-L192 HydrophobicContact CZ-CD2 3.24Å; L192-Y209 HydrophobicContact CD2-CD1 4.03Å; L192-Y209 HydrophobicContact CD2-CG 4.34Å; L192-I211 HydrophobicContact CD1-CD1 3.72Å; L192-I211 HydrophobicContact CD1-CG1 3.96Å; L192-I272 HydrophobicContact CD1-CD1 3.82Å; L192-W285 HydrophobicContact CB-CH2 4.46Å; L192-W285 HydrophobicContact CB-CZ3 4.08Å; L192-R286 CarbonylContact O-C 3.56Å; L192-R286 WeakPolarHBondContact O-CA 3.42Å; L192-L287 HydrophobicContact CB-CD1 4.04Å; L192-L287 HydrophobicContact CB-CG 4.02Å; L192-L287 HydrophobicContact CD1-CD1 4Å; L192-L287 HydrophobicContact CG-CD1 4.47Å; L192-L287 PolarHBondContact N-O 3.24Å; L192-L287 PolarHBondContact O-N 2.76Å; L192-L287 VanDerWaalsContact O-O 3.09Å; L192-Y289 HydrophobicContact CD1-CD1 4.05Å; L192-Y289 HydrophobicContact CD1-CE1 4.38Å
193	N	96.3	Very high	95	Very high	60 Å²	60	57.1 Å²	57.1	32%	0.321	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	159.7	176.9	45.5	86.7	0	0	0	110.7	F197 Y209 W285 R286	N193-F197 HydrophobicContact CB-CB 3.82Å; N193-F197 HydrophobicContact CB-CD1 4.45Å; N193-F197 HydrophobicContact CB-CG 4.22Å; N193-Y209 PolarHBondContact O-OH 3.28Å; N193-W285 CarbonylContact C-O 3.54Å; N193-W285 WeakPolarHBondContact CA-O 3.43Å; N193-W285 VanDerWaalsContact CB-O 3.27Å; N193-W285 WeakPolarHBondContact CB-O 3.47Å; N193-R286 HydrophobicContact CB-CB 4.04Å; N193-R286 HydrophobicContact CB-CG 4.2Å
194	S	96.4	Very high	95.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.			trans	-58.6	149.4	164.1	53.5	0	0	0	0	110.2	N196 F197 G284 W285	S194-N196 PolarHBondContact O-N 3.25Å; S194-F197 WeakPolarHBondContact O-CB 3.46Å; S194-F197 PolarHBondContact O-N 2.77Å; S194-F197 VanDerWaalsContact O-N 3.12Å; S194-G284 WeakPolarHBondContact OG-CA 3.42Å; S194-W285 PolarHBondContact N-O 2.85Å; S194-W285 PolarHBondContact OG-N 3.08Å; S194-W285 PolarHBondContact OG-O 2.82Å
195	V	95.3	Very high	95.7	Very high	38 Å²	38	51.2 Å²	51.2	23%	0.23	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	137.2	-180	178.9	0	0	0	0	109.8	V178 C180 F197 P202	V178-V195 HydrophobicContact CG2-CB 4.44Å; V178-V195 HydrophobicContact CG2-CG1 4.47Å; V178-V195 HydrophobicContact CG2-CG2 4.07Å; C180-V195 HydrophobicContact CB-CG2 3.92Å; V195-F197 VanDerWaalsContact C-N 3.27Å; V195-F197 PolarHBondContact O-N 3.33Å; V195-P202 HydrophobicContact CB-CG 3.92Å; V195-P202 HydrophobicContact CG1-CG 3.83Å
196	N	94.1	Very high	95.8	Very high	80 Å²	80	52.3 Å²	52.3	43%	0.428	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	-0.3	-174.1	-47.5	-39.7	0	0	0	117.8	Y167 S194 A199 P200	Y167-N196 PolarHBondContact OH-ND2 3Å; Y167-N196 PolarHBondContact OH-OD1 2.89Å; S194-N196 PolarHBondContact O-N 3.25Å; N196-A199 HydrophobicContact CB-CB 4.14Å; N196-A199 WeakPolarHBondContact O-CB 3.29Å; N196-A199 PolarHBondContact O-N 3.33Å; N196-P200 PolarHBondContact ND2-O 2.86Å
197	F	95.5	Very high	95.8	Very high	27 Å²	27	45 Å²	45	12%	0.118	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	128.2	-178.8	-176.7	-87.5	0	0	0	111.4	N193 S194 V195 R226 L283 R286	N193-F197 HydrophobicContact CB-CB 3.82Å; N193-F197 HydrophobicContact CB-CD1 4.45Å; N193-F197 HydrophobicContact CB-CG 4.22Å; S194-F197 WeakPolarHBondContact O-CB 3.46Å; S194-F197 PolarHBondContact O-N 2.77Å; S194-F197 VanDerWaalsContact O-N 3.12Å; V195-F197 VanDerWaalsContact C-N 3.27Å; V195-F197 PolarHBondContact O-N 3.33Å; F197-R226 HydrophobicContact CZ-CB 4.24Å; F197-L283 WeakPolarHBondContact CD2-O 3.2Å; F197-R286 HydrophobicContact CD1-CB 3.81Å; F197-R286 HydrophobicContact CD1-CG 4.45Å; F197-R286 HydrophobicContact CD2-CB 4.49Å; F197-R286 HydrophobicContact CE1-CB 3.54Å; F197-R286 HydrophobicContact CE1-CG 4.27Å; F197-R286 HydrophobicContact CE2-CB 4.26Å; F197-R286 HydrophobicContact CG-CB 4.28Å; F197-R286 HydrophobicContact CZ-CB 3.78Å
198	P	95.5	Very high	95.8	Very high	76 Å²	76	44 Å²	44	49%	0.494	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	cis	-98.2	21.4	15.6	40.2	-37.9	0	0	0	115.2	L283	P198-L283 WeakPolarHBondContact O-CD2 3.28Å
199	A	95.9	Very high	96	Very high	46 Å²	46	38.7 Å²	38.7	38%	0.38	22%	0.223	S	C	.	.	S	Bend	trans	-87.7	165.3	170	0	0	0	0	0	110.7	N196 Y201	N196-A199 HydrophobicContact CB-CB 4.14Å; N196-A199 WeakPolarHBondContact O-CB 3.29Å; N196-A199 PolarHBondContact O-N 3.33Å; A199-Y201 PolarHBondContact O-N 3Å
200	P	96.3	Very high	95.9	Very high	42 Å²	42	40.1 Å²	40.1	27%	0.273	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-51.2	136.9	-178.9	-28.5	35.7	0	0	0	113.4	N196 E281 N282 L283	N196-P200 PolarHBondContact ND2-O 2.86Å; P200-E281 WeakPolarHBondContact CB-OE2 3.46Å; P200-E281 HydrophobicContact CG-CB 4.43Å; P200-E281 WeakPolarHBondContact CG-O 3.34Å; P200-N282 VanDerWaalsContact CA-O 3.3Å; P200-N282 WeakPolarHBondContact CA-O 3.43Å; P200-L283 HydrophobicContact CG-CD2 4.4Å
201	Y	96.6	Very high	96	Very high	11 Å²	11	39.1 Å²	39.1	4%	0.043	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-75.8	153	177.7	50.8	-99.5	0	0	0	111.6	A199 E230 D240 F274 N282 G284	A199-Y201 PolarHBondContact O-N 3Å; Y201-E230 PolarHBondContact OH-N 3.31Å; Y201-E230 VanDerWaalsContact OH-N 3.13Å; Y201-D240 WeakPolarHBondContact CE2-OD2 3.48Å; Y201-D240 PolarHBondContact OH-OD2 3.42Å; Y201-F274 HydrophobicContact CD1-CE1 4.26Å; Y201-F274 AromaticContact CD1-CZ 3.93Å; Y201-F274 HydrophobicContact CD1-CZ 3.93Å; Y201-F274 AromaticContact CD2-CE1 4Å; Y201-F274 HydrophobicContact CD2-CE1 4Å; Y201-F274 AromaticContact CD2-CZ 3.97Å; Y201-F274 HydrophobicContact CD2-CZ 3.97Å; Y201-F274 AromaticContact CE1-CZ 3.94Å; Y201-F274 HydrophobicContact CE1-CZ 3.94Å; Y201-F274 HydrophobicContact CE2-CE1 4.48Å; Y201-F274 HydrophobicContact CE2-CZ 4.02Å; Y201-F274 AromaticContact CG-CE1 3.88Å; Y201-F274 HydrophobicContact CG-CE1 3.88Å; Y201-F274 AromaticContact CG-CZ 3.93Å; Y201-F274 HydrophobicContact CG-CZ 3.93Å; Y201-N282 WeakPolarHBondContact CD1-O 3.43Å; Y201-N282 HydrophobicContact CE1-CB 3.64Å; Y201-N282 WeakPolarHBondContact CE1-O 3.28Å; Y201-N282 PolarHBondContact N-O 3.12Å; Y201-N282 WeakPolarHBondContact OH-CB 3.41Å; Y201-N282 PolarHBondContact OH-ND2 3.44Å; Y201-G284 VanDerWaalsContact CD1-CA 3.41Å
202	P	96.3	Very high	95.9	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.065	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-62.5	136.1	176.3	-23.5	36.5	0	0	0	111.9	Y167 V178 V195 S276	Y167-P202 HydrophobicContact CD1-CB 4.36Å; Y167-P202 HydrophobicContact CE1-CB 3.7Å; Y167-P202 HydrophobicContact CE1-CG 3.56Å; V178-P202 HydrophobicContact CB-CG 4.37Å; V178-P202 HydrophobicContact CG1-CB 3.96Å; V178-P202 HydrophobicContact CG1-CG 3.7Å; V178-P202 HydrophobicContact CG2-CB 3.89Å; V178-P202 HydrophobicContact CG2-CG 3.72Å; V195-P202 HydrophobicContact CB-CG 3.92Å; V195-P202 HydrophobicContact CG1-CG 3.83Å; P202-S276 PolarHBondContact O-OG 3.29Å
203	K	95.6	Very high	95.9	Very high	18 Å²	18	38.4 Å²	38.4	8%	0.078	20%	0.199	C	C	.	.	S	Bend	trans	-69.8	163.8	172.7	-65.5	167.8	-170.3	142.7	0	111.3	D149 T175 R177 S205 D277 G280 E281	D149-K203 IonicContact OD1-NZ 3.49Å; D149-K203 PolarHBondContact OD1-NZ 3.43Å; T175-K203 HydrophobicContact CG2-CB 4.37Å; T175-K203 HydrophobicContact CG2-CD 4.44Å; R177-K203 WeakPolarHBondContact CA-O 3.32Å; K203-S205 PolarHBondContact O-N 2.99Å; K203-S205 VanDerWaalsContact O-N 3.08Å; K203-S205 PolarHBondContact O-OG 2.83Å; K203-D277 CarbonylContact C-O 3.53Å; K203-D277 WeakPolarHBondContact CA-O 3.36Å; K203-D277 WeakPolarHBondContact CB-O 3.33Å; K203-G280 WeakPolarHBondContact CE-O 3.36Å; K203-E281 WeakPolarHBondContact CE-OE1 3.44Å; K203-E281 IonicContact NZ-OE1 3.55Å; K203-E281 PolarHBondContact NZ-OE1 3.16Å
204	S	96.3	Very high	95.7	Very high	15 Å²	15	40 Å²	40	11%	0.105	21%	0.205	C	C	.	.	S	Bend	trans	51.2	37.5	171.8	-67.8	0	0	0	0	113.5	T175 R177 S276 D277	T175-S204 WeakPolarHBondContact OG1-CB 3.17Å; T175-S204 PolarHBondContact OG1-OG 2.89Å; T175-S204 VanDerWaalsContact OG1-OG 3.11Å; R177-S204 WeakPolarHBondContact CB-O 3.45Å; S204-S276 VanDerWaalsContact CA-O 3.3Å; S204-S276 WeakPolarHBondContact CA-O 3.2Å; S204-S276 PolarHBondContact N-O 3.3Å; S204-D277 PolarHBondContact N-O 2.71Å
205	S	96.7	Very high	95.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	23%	0.232	C	C	.	.			trans	-120.3	135.8	-173.2	-63.5	0	0	0	0	111.8	R177 V178 K203 S276	R177-S205 WeakPolarHBondContact CA-OG 3.27Å; V178-S205 PolarHBondContact N-OG 3.11Å; K203-S205 PolarHBondContact O-N 2.99Å; K203-S205 VanDerWaalsContact O-N 3.08Å; K203-S205 PolarHBondContact O-OG 2.83Å; S205-S276 WeakPolarHBondContact CA-OG 3.41Å; S205-S276 WeakPolarHBondContact CB-OG 3.44Å; S205-S276 PolarHBondContact N-O 2.91Å; S205-S276 PolarHBondContact N-OG 3.47Å; S205-S276 PolarHBondContact O-N 2.66Å; S205-S276 PolarHBondContact O-OG 2.76Å
206	D	96.1	Very high	95.2	Very high	77 Å²	77	42.7 Å²	42.7	41%	0.412	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	99.3	174.6	-79.1	-71	0	0	0	110	S181 H275	S181-D206 PolarHBondContact OG-O 2.96Å; S181-D206 VanDerWaalsContact OG-O 3.07Å; D206-H275 IonicContact OD1-CE1 3.03Å; D206-H275 IonicContact OD1-CG 3.69Å; D206-H275 IonicContact OD1-ND1 3.14Å; D206-H275 PolarHBondContact OD1-ND1 3.39Å; D206-H275 IonicContact OD2-ND1 3.77Å
207	C	96	Very high	95.2	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.2	-177.4	-56.1	0	0	0	0	112.1	C180 Y209 Q273 F274	C180-C207 HydrophobicContact CB-CB 3.76Å; C180-C207 WeakPolarHBondContact CB-SG 3.44Å; C180-C207 WeakPolarHBondContact SG-CA 3.22Å; C180-C207 WeakPolarHBondContact SG-CB 3.26Å; C180-C207 CovalentContact SG-SG 2.01Å; C180-C207 PolarHBondContact SG-SG 2.88Å; C207-Y209 HydrophobicContact CB-CD2 4.42Å; C207-Y209 HydrophobicContact CB-CE2 3.52Å; C207-Q273 CarbonylContact O-C 3.56Å; C207-Q273 WeakPolarHBondContact O-CA 3.16Å; C207-F274 HydrophobicContact CB-CB 4.31Å; C207-F274 PolarHBondContact N-O 2.87Å; C207-F274 PolarHBondContact O-N 3.04Å
208	W	95.9	Very high	95	Very high	124 Å²	124	42.2 Å²	42.2	47%	0.47	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.9	175.5	-69.6	84.4	0	0	0	111.5	S181 I272 Q273	S181-W208 PolarHBondContact OG-N 2.78Å; W208-I272 WeakPolarHBondContact CA-O 3.38Å; W208-Q273 HydrophobicContact CD2-CB 4.29Å; W208-Q273 HydrophobicContact CD2-CG 4.19Å; W208-Q273 HydrophobicContact CE3-CB 4.08Å; W208-Q273 HydrophobicContact CE3-CG 4.43Å; W208-Q273 HydrophobicContact CH2-CB 4.02Å; W208-Q273 HydrophobicContact CH2-CG 3.99Å; W208-Q273 HydrophobicContact CZ2-CB 4.23Å; W208-Q273 HydrophobicContact CZ2-CG 3.71Å; W208-Q273 VanDerWaalsContact CZ2-NE2 3.33Å; W208-Q273 HydrophobicContact CZ3-CB 3.94Å; W208-Q273 HydrophobicContact CZ3-CG 4.33Å
209	Y	95.5	Very high	95.1	Very high	19 Å²	19	38.6 Å²	38.6	8%	0.075	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.9	174.6	-47.6	-88.4	0	0	0	109.9	F185 L192 N193 C207 S271 I272 W285	F185-Y209 HydrophobicContact CE2-CD1 4.38Å; L192-Y209 HydrophobicContact CD2-CD1 4.03Å; L192-Y209 HydrophobicContact CD2-CG 4.34Å; N193-Y209 PolarHBondContact O-OH 3.28Å; C207-Y209 HydrophobicContact CB-CD2 4.42Å; C207-Y209 HydrophobicContact CB-CE2 3.52Å; Y209-S271 CarbonylContact O-C 3.58Å; Y209-S271 WeakPolarHBondContact O-CA 3.36Å; Y209-I272 HydrophobicContact CD2-CB 4.39Å; Y209-I272 HydrophobicContact CD2-CG2 4.32Å; Y209-I272 PolarHBondContact N-O 2.8Å; Y209-I272 PolarHBondContact O-N 3.3Å; Y209-W285 HydrophobicContact CD2-CH2 4.01Å; Y209-W285 HydrophobicContact CD2-CZ2 4.2Å; Y209-W285 AromaticContact CE2-CH2 3.85Å; Y209-W285 HydrophobicContact CE2-CH2 3.85Å; Y209-W285 AromaticContact CE2-CZ2 3.69Å; Y209-W285 HydrophobicContact CE2-CZ2 3.69Å
210	R	96	Very high	95.1	Very high	100 Å²	100	38.3 Å²	38.3	38%	0.377	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123	179	-172.6	179	178.4	117.5	-3.7	110.8	V183 V184 F185 E212 V270	V183-R210 PolarHBondContact O-N 3.41Å; V184-R210 CarbonylContact C-O 3.58Å; V184-R210 VanDerWaalsContact CA-O 3.28Å; V184-R210 WeakPolarHBondContact CA-O 3.13Å; V184-R210 HydrophobicContact CG1-CG 4.44Å; V184-R210 HydrophobicContact CG2-CB 4.36Å; F185-R210 PolarHBondContact N-O 3.17Å; R210-E212 IonicContact CZ-OE2 3.55Å; R210-E212 IonicContact NE-OE2 3.9Å; R210-E212 PolarHBondContact NE-OE2 3.09Å; R210-E212 IonicContact NH2-OE2 3.48Å; R210-E212 PolarHBondContact NH2-OE2 3.44Å; R210-V270 CarbonylContact C-O 3.46Å; R210-V270 WeakPolarHBondContact CA-O 2.96Å
211	I	97.1	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.5	169	-50.6	166.8	0	0	0	107.1	F185 L192 L213 I219 I269 V270 I272 Y289	F185-I211 HydrophobicContact CB-CG1 4.31Å; F185-I211 WeakPolarHBondContact O-CA 3.25Å; L192-I211 HydrophobicContact CD1-CD1 3.72Å; L192-I211 HydrophobicContact CD1-CG1 3.96Å; I211-L213 HydrophobicContact CG2-CD2 4.39Å; I211-L213 HydrophobicContact CG2-CG 4.29Å; I211-I219 HydrophobicContact CB-CD1 3.97Å; I211-I219 HydrophobicContact CD1-CG2 4.36Å; I211-I219 HydrophobicContact CG2-CD1 3.57Å; I211-I219 HydrophobicContact CG2-CG1 4.34Å; I211-I269 WeakPolarHBondContact O-CA 3.17Å; I211-V270 HydrophobicContact CB-CB 4.39Å; I211-V270 HydrophobicContact CD1-CB 4.47Å; I211-V270 PolarHBondContact N-O 2.86Å; I211-V270 PolarHBondContact O-N 3.06Å; I211-I272 HydrophobicContact CD1-CD1 4.33Å; I211-Y289 HydrophobicContact CD1-CD1 3.67Å; I211-Y289 HydrophobicContact CD1-CD2 4.16Å; I211-Y289 HydrophobicContact CD1-CE1 4.14Å; I211-Y289 HydrophobicContact CD1-CG 3.7Å; I211-Y289 HydrophobicContact CG1-CD1 4.3Å; I211-Y289 HydrophobicContact CG1-CE1 4.27Å; I211-Y289 HydrophobicContact CG2-CD2 4.02Å; I211-Y289 HydrophobicContact CG2-CE1 4.49Å; I211-Y289 HydrophobicContact CG2-CE2 3.69Å
212	E	95.8	Very high	95.2	Very high	47 Å²	47	39.1 Å²	39.1	22%	0.22	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	102.3	-177.4	-172.1	176.6	114.4	0	0	110	V184 F185 R186 R210 I269	V184-E212 HydrophobicContact CG1-CB 3.82Å; F185-E212 PolarHBondContact O-N 3.06Å; R186-E212 IonicContact CZ-OE1 3.15Å; R186-E212 IonicContact NH1-OE1 3.81Å; R186-E212 PolarHBondContact NH1-OE1 3.26Å; R186-E212 IonicContact NH2-OE1 3.42Å; R186-E212 PolarHBondContact NH2-OE1 2.77Å; R210-E212 IonicContact CZ-OE2 3.55Å; R210-E212 IonicContact NE-OE2 3.9Å; R210-E212 PolarHBondContact NE-OE2 3.09Å; R210-E212 IonicContact NH2-OE2 3.48Å; R210-E212 PolarHBondContact NH2-OE2 3.44Å; E212-I269 HydrophobicContact CG-CD1 4.31Å; E212-I269 HydrophobicContact CG-CG1 4.2Å
213	L	94.4	Very high	95.2	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.063	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-102.3	167.6	178.2	-55.9	-175.8	0	0	0	111.1	E187 I211 F217 I219 N268 A291	E187-L213 VanDerWaalsContact O-CD2 3.3Å; E187-L213 WeakPolarHBondContact O-CD2 3.38Å; I211-L213 HydrophobicContact CG2-CD2 4.39Å; I211-L213 HydrophobicContact CG2-CG 4.29Å; L213-F217 HydrophobicContact CB-CB 4.23Å; L213-F217 HydrophobicContact CD1-CB 4.17Å; L213-I219 HydrophobicContact CD1-CD1 4.18Å; L213-I219 HydrophobicContact CD1-CG1 3.65Å; L213-I219 HydrophobicContact CG-CD1 4.18Å; L213-I219 HydrophobicContact CG-CG1 4.21Å; L213-N268 HydrophobicContact CB-CB 4.37Å; L213-N268 PolarHBondContact N-O 2.03Å; L213-N268 PolarHBondContact O-ND2 3.48Å; L213-A291 HydrophobicContact CD1-CB 3.53Å
214	E	92.8	Very high	95.3	Very high	94 Å²	94	39.7 Å²	39.7	44%	0.439	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-58.4	144.3	171.8	178.4	168.5	-140.4	0	0	112.2	G216 F217 N268 R317	E214-G216 PolarHBondContact O-N 3.37Å; E214-F217 HydrophobicContact CB-CD2 4.06Å; E214-F217 HydrophobicContact CB-CE2 4.26Å; E214-F217 PolarHBondContact O-N 2.95Å; E214-N268 WeakPolarHBondContact O-CB 3.18Å; E214-R317 VanDerWaalsContact CD-NH2 3.28Å; E214-R317 IonicContact OE1-CZ 3.82Å; E214-R317 IonicContact OE1-NE 3.74Å; E214-R317 IonicContact OE1-NH2 3.86Å; E214-R317 PolarHBondContact OE1-NH2 3.1Å; E214-R317 IonicContact OE2-CZ 3.64Å; E214-R317 IonicContact OE2-NE 2.83Å; E214-R317 PolarHBondContact OE2-NE 3.02Å; E214-R317 IonicContact OE2-NH2 3.35Å; E214-R317 PolarHBondContact OE2-NH2 3.34Å
215	A	91.1	Very high	95.3	Very high	69 Å²	69	44.2 Å²	44.2	57%	0.57	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	131.9	175.9	0	0	0	0	0	111.1	F316	A215-F316 WeakPolarHBondContact O-CE1 3.47Å; A215-F316 WeakPolarHBondContact O-CZ 3.34Å
216	G	89.3	Confident	95.2	Very high	25 Å²	25	50.8 Å²	50.8	26%	0.258	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.3	-19.4	-174.6	0	0	0	0	0	113.7	E214 F316	E214-G216 PolarHBondContact O-N 3.37Å; G216-F316 VanDerWaalsContact C-CD1 3.47Å
217	F	93.6	Very high	95.3	Very high	13 Å²	13	47.4 Å²	47.4	6%	0.057	23%	0.234	C	C	.	.			trans	-81.1	152.8	165.3	-70.8	-66.3	0	0	0	111.8	R188 L213 E214 N268 A291 F316 R317	R188-F217 VanDerWaalsContact CZ-CZ 3.45Å; L213-F217 HydrophobicContact CB-CB 4.23Å; L213-F217 HydrophobicContact CD1-CB 4.17Å; E214-F217 HydrophobicContact CB-CD2 4.06Å; E214-F217 HydrophobicContact CB-CE2 4.26Å; E214-F217 PolarHBondContact O-N 2.95Å; F217-N268 WeakPolarHBondContact O-CA 3.48Å; F217-N268 VanDerWaalsContact O-CB 3.25Å; F217-N268 WeakPolarHBondContact O-CB 3.05Å; F217-N268 PolarHBondContact O-N 3.47Å; F217-A291 HydrophobicContact CB-CB 4.35Å; F217-A291 HydrophobicContact CD1-CB 3.81Å; F217-A291 HydrophobicContact CE1-CB 4.43Å; F217-A291 HydrophobicContact CG-CB 4.13Å; F217-F316 AromaticContact CD1-CD1 3.91Å; F217-F316 HydrophobicContact CD1-CD1 3.91Å; F217-F316 HydrophobicContact CD2-CD1 4.03Å; F217-F316 AromaticContact CD2-CE1 3.88Å; F217-F316 HydrophobicContact CD2-CE1 3.88Å; F217-F316 AromaticContact CE1-CD1 3.72Å; F217-F316 HydrophobicContact CE1-CD1 3.72Å; F217-F316 HydrophobicContact CE1-CE1 4.44Å; F217-F316 AromaticContact CE2-CD1 3.84Å; F217-F316 HydrophobicContact CE2-CD1 3.84Å; F217-F316 AromaticContact CE2-CE1 3.72Å; F217-F316 HydrophobicContact CE2-CE1 3.72Å; F217-F316 HydrophobicContact CG-CD1 4.04Å; F217-F316 HydrophobicContact CG-CE1 4.29Å; F217-F316 AromaticContact CZ-CD1 3.66Å; F217-F316 HydrophobicContact CZ-CD1 3.66Å; F217-F316 HydrophobicContact CZ-CE1 4.01Å; F217-R317 HydrophobicContact CE2-CG 4.1Å; F217-R317 HydrophobicContact CZ-CB 4.19Å; F217-R317 HydrophobicContact CZ-CG 3.82Å
218	R	93.3	Very high	95.4	Very high	84 Å²	84	49.6 Å²	49.6	32%	0.317	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.6	166	-75	177.3	-74.1	-124.8	-9.4	108.6	T265 A291 T292 S294	R218-T265 WeakPolarHBondContact CB-O 3.45Å; R218-A291 CarbonylContact O-C 3.49Å; R218-A291 WeakPolarHBondContact O-CA 3.45Å; R218-T292 WeakPolarHBondContact CB-OG1 3.44Å; R218-T292 PolarHBondContact N-O 3.35Å; R218-T292 PolarHBondContact O-N 3Å; R218-T292 PolarHBondContact O-OG1 2.03Å; R218-S294 PolarHBondContact NH2-OG 2.82Å
219	I	95.6	Very high	95.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.6	-180	-66.2	161.4	0	0	0	109.4	I211 L213 M221 T265 S267 N268 V270 Y289	I211-I219 HydrophobicContact CB-CD1 3.97Å; I211-I219 HydrophobicContact CD1-CG2 4.36Å; I211-I219 HydrophobicContact CG2-CD1 3.57Å; I211-I219 HydrophobicContact CG2-CG1 4.34Å; L213-I219 HydrophobicContact CD1-CD1 4.18Å; L213-I219 HydrophobicContact CD1-CG1 3.65Å; L213-I219 HydrophobicContact CG-CD1 4.18Å; L213-I219 HydrophobicContact CG-CG1 4.21Å; I219-M221 HydrophobicContact CG2-CG 4.06Å; I219-T265 PolarHBondContact N-OG1 2.86Å; I219-T265 WeakPolarHBondContact O-CB 3.38Å; I219-T265 WeakPolarHBondContact O-CG2 3.43Å; I219-T265 PolarHBondContact O-N 2.78Å; I219-T265 PolarHBondContact O-OG1 3.24Å; I219-S267 PolarHBondContact N-O 3.35Å; I219-N268 WeakPolarHBondContact CD1-O 3.24Å; I219-V270 HydrophobicContact CB-CG2 3.88Å; I219-V270 HydrophobicContact CD1-CB 4.15Å; I219-V270 HydrophobicContact CD1-CG2 3.63Å; I219-V270 HydrophobicContact CG1-CG2 4.36Å; I219-V270 HydrophobicContact CG2-CG2 4.02Å; I219-Y289 HydrophobicContact CG2-CD2 4.44Å
220	Q	96.3	Very high	95.6	Very high	39 Å²	39	44.6 Å²	44.6	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.9	166.4	-178	179.7	-73.7	0	0	108.6	I262 I263 R264 Y289 S290 T292	Q220-I262 HydrophobicContact CG-CG2 3.94Å; Q220-I263 WeakPolarHBondContact CA-O 3.48Å; Q220-R264 HydrophobicContact CG-CG 3.93Å; Q220-Y289 CarbonylContact O-C 3.59Å; Q220-Y289 VanDerWaalsContact O-CA 3.25Å; Q220-Y289 WeakPolarHBondContact O-CA 3.35Å; Q220-S290 PolarHBondContact N-O 3.49Å; Q220-S290 PolarHBondContact O-N 2.87Å; Q220-T292 HydrophobicContact CB-CG2 4.07Å
221	M	97.1	Very high	95.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.2	174	-63.3	168.3	-75.7	0	0	109.6	I219 F223 I244 I262 I263 T265 V270 I272 L287 S288	I219-M221 HydrophobicContact CG2-CG 4.06Å; M221-F223 HydrophobicContact CB-CE2 4.42Å; M221-I244 HydrophobicContact CE-CD1 4.38Å; M221-I244 HydrophobicContact CE-CG2 3.89Å; M221-I244 HydrophobicContact SD-CD1 4.39Å; M221-I244 HydrophobicContact SD-CG2 4.23Å; M221-I262 CarbonylContact O-C 3.54Å; M221-I262 WeakPolarHBondContact O-CA 3.33Å; M221-I263 HydrophobicContact CE-CB 4.09Å; M221-I263 HydrophobicContact CE-CG2 3.77Å; M221-I263 PolarHBondContact N-O 3.02Å; M221-I263 PolarHBondContact O-N 3.49Å; M221-T265 HydrophobicContact CE-CG2 3.67Å; M221-V270 HydrophobicContact CE-CG1 4.13Å; M221-V270 HydrophobicContact SD-CG1 4.01Å; M221-I272 HydrophobicContact SD-CD1 4.29Å; M221-L287 HydrophobicContact CB-CD1 4.4Å; M221-L287 HydrophobicContact CG-CD1 4.27Å; M221-S288 CarbonylContact C-O 3.55Å; M221-S288 WeakPolarHBondContact CA-O 3.33Å
222	N	97.9	Very high	95.4	Very high	70 Å²	70	45.3 Å²	45.3	37%	0.374	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	108.4	176.5	-176.7	29.2	0	0	0	108.7	I262 L287 S288	N222-I262 HydrophobicContact CB-CG1 4.35Å; N222-I262 WeakPolarHBondContact OD1-CG1 3.47Å; N222-L287 WeakPolarHBondContact O-CA 3.42Å; N222-S288 PolarHBondContact N-O 3.19Å; N222-S288 PolarHBondContact O-N 2.89Å; N222-S288 PolarHBondContact O-OG 2.98Å
223	F	97.9	Very high	95.2	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	140.5	179.6	-79.1	-99.8	0	0	0	111.6	M221 F227 L242 I244 S259 P260 G261 I263 W285 L287	M221-F223 HydrophobicContact CB-CE2 4.42Å; F223-F227 HydrophobicContact CD1-CD2 4.34Å; F223-F227 HydrophobicContact CD1-CE2 4.44Å; F223-F227 HydrophobicContact CE1-CE2 4.5Å; F223-L242 HydrophobicContact CE1-CD2 3.42Å; F223-L242 VanDerWaalsContact CE1-CD2 3.42Å; F223-L242 HydrophobicContact CZ-CD2 3.63Å; F223-I244 HydrophobicContact CE2-CD1 3.91Å; F223-I244 HydrophobicContact CZ-CD1 3.68Å; F223-S259 WeakPolarHBondContact CB-OG 3.22Å; F223-P260 HydrophobicContact CD1-CG 4.46Å; F223-P260 HydrophobicContact CD2-CB 4.3Å; F223-P260 HydrophobicContact CD2-CG 4.5Å; F223-P260 HydrophobicContact CG-CG 4.41Å; F223-G261 WeakPolarHBondContact CD2-O 3.35Å; F223-G261 PolarHBondContact N-O 2.84Å; F223-G261 VanDerWaalsContact N-O 3.09Å; F223-I263 HydrophobicContact CE2-CD1 4.04Å; F223-W285 HydrophobicContact CE1-CE3 4.22Å; F223-L287 HydrophobicContact CD1-CB 3.93Å; F223-L287 HydrophobicContact CD1-CD2 4.32Å; F223-L287 HydrophobicContact CD2-CB 4.18Å; F223-L287 HydrophobicContact CD2-CD2 4.49Å; F223-L287 HydrophobicContact CE1-CB 4.07Å; F223-L287 HydrophobicContact CE1-CD2 3.59Å; F223-L287 HydrophobicContact CE1-CG 4.44Å; F223-L287 HydrophobicContact CE2-CB 4.3Å; F223-L287 HydrophobicContact CE2-CD2 3.79Å; F223-L287 HydrophobicContact CG-CB 3.98Å; F223-L287 HydrophobicContact CZ-CB 4.25Å; F223-L287 HydrophobicContact CZ-CD2 3.28Å; F223-L287 HydrophobicContact CZ-CG 4.39Å
224	D	96.4	Very high	95.1	Very high	34 Å²	34	55 Å²	55	18%	0.182	30%	0.302	C	S	.	.			trans	-59	139.7	168.5	-167.9	-48.5	0	0	0	108	R226 S259 R286	D224-R226 PolarHBondContact O-N 2.88Å; D224-R226 WeakPolarHBondContact OD1-CB 3.25Å; D224-R226 PolarHBondContact OD1-N 3.08Å; D224-R226 IonicContact OD1-NE 3.94Å; D224-R226 PolarHBondContact OD1-NE 2.83Å; D224-R226 IonicContact OD2-CZ 3.8Å; D224-R226 IonicContact OD2-NE 2.75Å; D224-R226 IonicContact OD2-NH2 2.88Å; D224-R226 PolarHBondContact OD2-NH2 2.87Å; D224-R226 VanDerWaalsContact OD2-NH2 3.15Å; D224-S259 WeakPolarHBondContact O-CB 2.96Å; D224-S259 PolarHBondContact O-OG 3.06Å; D224-R286 HydrophobicContact CB-CB 3.93Å; D224-R286 HydrophobicContact CB-CG 4.37Å; D224-R286 WeakPolarHBondContact CB-O 3.33Å; D224-R286 PolarHBondContact N-O 3.03Å
225	P	95.8	Very high	95.1	Very high	110 Å²	110	55 Å²	55	71%	0.714	30%	0.304	S	S	*	.	S	Bend	trans	-58.4	-27	173.8	-26.8	35	0	0	0	113.6	F227	P225-F227 PolarHBondContact O-N 3.41Å
226	R	95.9	Very high	95.2	Very high	139 Å²	139	56.2 Å²	56.2	53%	0.525	31%	0.308	S	S	.	.			trans	-76.6	103.8	171.2	-67.1	175.6	-64.8	171.2	3.6	109	F197 D224	F197-R226 HydrophobicContact CZ-CB 4.24Å; D224-R226 PolarHBondContact O-N 2.88Å; D224-R226 WeakPolarHBondContact OD1-CB 3.25Å; D224-R226 PolarHBondContact OD1-N 3.08Å; D224-R226 IonicContact OD1-NE 3.94Å; D224-R226 PolarHBondContact OD1-NE 2.83Å; D224-R226 IonicContact OD2-CZ 3.8Å; D224-R226 IonicContact OD2-NE 2.75Å; D224-R226 IonicContact OD2-NH2 2.88Å; D224-R226 PolarHBondContact OD2-NH2 2.87Å; D224-R226 VanDerWaalsContact OD2-NH2 3.15Å
227	F	97.8	Very high	95.5	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.031	30%	0.3	C	S	.	.			trans	-136.2	122.8	179	-174.6	-87.8	0	0	0	106.5	F223 P225 V229 L242 F254 G256 D257 P260 W285	F223-F227 HydrophobicContact CD1-CD2 4.34Å; F223-F227 HydrophobicContact CD1-CE2 4.44Å; F223-F227 HydrophobicContact CE1-CE2 4.5Å; P225-F227 PolarHBondContact O-N 3.41Å; F227-V229 HydrophobicContact CE1-CB 4.05Å; F227-V229 HydrophobicContact CE1-CG2 3.91Å; F227-V229 HydrophobicContact CE2-CG2 4.22Å; F227-V229 HydrophobicContact CZ-CB 4.22Å; F227-V229 HydrophobicContact CZ-CG2 3.71Å; F227-L242 HydrophobicContact CE2-CD2 4.46Å; F227-F254 HydrophobicContact CZ-CB 3.94Å; F227-G256 VanDerWaalsContact CD1-O 3.22Å; F227-G256 WeakPolarHBondContact CD1-O 3.38Å; F227-G256 WeakPolarHBondContact CE1-O 3.5Å; F227-D257 CarbonylContact O-C 3.49Å; F227-D257 WeakPolarHBondContact O-CA 3.43Å; F227-P260 HydrophobicContact CE2-CG 4.44Å; F227-W285 HydrophobicContact CD2-CB 3.63Å; F227-W285 HydrophobicContact CE2-CB 3.65Å; F227-W285 HydrophobicContact CE2-CG 4.38Å
228	D	98	Very high	95.6	Very high	49 Å²	49	57.8 Å²	57.8	26%	0.262	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-148.8	95.9	-174.4	-178.1	33.3	0	0	0	108.7	N282 L283 G284	D228-N282 WeakPolarHBondContact O-CB 3.34Å; D228-N282 WeakPolarHBondContact OD2-CA 3.01Å; D228-L283 HydrophobicContact CB-CB 4.17Å; D228-L283 WeakPolarHBondContact OD2-CG 3.36Å; D228-L283 PolarHBondContact OD2-N 2.93Å; D228-G284 PolarHBondContact N-O 3.21Å; D228-G284 WeakPolarHBondContact O-CA 3.3Å; D228-G284 PolarHBondContact O-N 2.8Å
229	V	97.9	Very high	95.7	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-130.9	136.6	-177.1	172.5	0	0	0	0	107.6	F227 S231 D240 C255 G256 F274	F227-V229 HydrophobicContact CE1-CB 4.05Å; F227-V229 HydrophobicContact CE1-CG2 3.91Å; F227-V229 HydrophobicContact CE2-CG2 4.22Å; F227-V229 HydrophobicContact CZ-CB 4.22Å; F227-V229 HydrophobicContact CZ-CG2 3.71Å; V229-S231 PolarHBondContact O-N 2.86Å; V229-D240 HydrophobicContact CG1-CB 3.62Å; V229-C255 HydrophobicContact CB-CB 4.4Å; V229-C255 HydrophobicContact CG1-CB 3.95Å; V229-G256 PolarHBondContact N-O 3.03Å; V229-G256 VanDerWaalsContact O-CA 3.25Å; V229-G256 WeakPolarHBondContact O-CA 3.29Å; V229-G256 PolarHBondContact O-N 3.05Å; V229-F274 HydrophobicContact CG1-CE2 4.02Å; V229-F274 HydrophobicContact CG2-CE2 4.07Å
230	E	97.4	Very high	95.8	Very high	37 Å²	37	57.7 Å²	57.7	17%	0.173	32%	0.315	C	S	.	.			trans	-54.2	138.1	-173.5	-163	155.7	168.1	0	0	113.2	Y201 Y239 D240 C255 G280 N282	Y201-E230 PolarHBondContact OH-N 3.31Å; Y201-E230 VanDerWaalsContact OH-N 3.13Å; E230-Y239 HydrophobicContact CG-CD2 3.89Å; E230-Y239 HydrophobicContact CG-CG 4.25Å; E230-D240 HydrophobicContact CB-CB 3.94Å; E230-D240 VanDerWaalsContact CB-OD2 3.26Å; E230-D240 WeakPolarHBondContact CB-OD2 3.42Å; E230-C255 WeakPolarHBondContact O-CB 3.02Å; E230-G280 WeakPolarHBondContact OE2-CA 3.42Å; E230-N282 WeakPolarHBondContact CB-ND2 3.49Å; E230-N282 PolarHBondContact OE2-ND2 2.92Å
231	S	94.9	Very high	95.9	Very high	60 Å²	60	56.9 Å²	56.9	42%	0.42	31%	0.312	S	S	.	.			trans	-143.2	164.6	-175.6	68.6	0	0	0	0	112.5	V229	V229-S231 PolarHBondContact O-N 2.86Å
232	H	94.6	Very high	95.9	Very high	55 Å²	55	56.9 Å²	56.9	26%	0.255	31%	0.312	S	S	.	.			trans	-119.6	141.8	173.2	-172	-85.3	0	0	0	109.3	D234 I235 P238 Y239	H232-D234 VanDerWaalsContact C-N 3.34Å; H232-D234 IonicContact CE1-OD2 3.75Å; H232-D234 PolarHBondContact ND1-N 3.47Å; H232-D234 VanDerWaalsContact ND1-N 3.11Å; H232-D234 PolarHBondContact O-N 3.32Å; H232-I235 HydrophobicContact CB-CB 4.32Å; H232-I235 PolarHBondContact ND1-N 2.77Å; H232-I235 VanDerWaalsContact O-O 3.14Å; H232-P238 HydrophobicContact CB-CG 3.45Å; H232-P238 VanDerWaalsContact CB-CG 3.45Å; H232-Y239 HydrophobicContact CB-CD2 4.39Å; H232-Y239 HydrophobicContact CB-CE2 3.78Å; H232-Y239 AromaticContact CD2-CE2 4Å; H232-Y239 PolarHBondContact CD2-OH 2.95Å
233	P	90.7	Very high	95.9	Very high	118 Å²	118	56.5 Å²	56.5	77%	0.766	31%	0.306	S	S	*	.	S	Bend	trans	-62.5	-37.2	-177.2	22.3	-33.9	0	0	0	113.8
234	D	93.1	Very high	95.9	Very high	145 Å²	145	56.2 Å²	56.2	78%	0.775	31%	0.305	S	S	*	.	S	Bend	trans	-104.7	-16.8	-172.9	-57.2	-55	0	0	0	114.7	H232	H232-D234 VanDerWaalsContact C-N 3.34Å; H232-D234 IonicContact CE1-OD2 3.75Å; H232-D234 PolarHBondContact ND1-N 3.47Å; H232-D234 VanDerWaalsContact ND1-N 3.11Å; H232-D234 PolarHBondContact O-N 3.32Å
235	I	93.6	Very high	95.9	Very high	95 Å²	95	57.9 Å²	57.9	49%	0.487	31%	0.312	S	S	.	.	S	Bend	trans	-121.4	128.8	-173.2	-57.2	175.7	0	0	0	107.1	H232 C237 P238	H232-I235 HydrophobicContact CB-CB 4.32Å; H232-I235 PolarHBondContact ND1-N 2.77Å; H232-I235 VanDerWaalsContact O-O 3.14Å; I235-C237 PolarHBondContact O-N 2.89Å; I235-P238 HydrophobicContact CB-CB 4.4Å; I235-P238 HydrophobicContact CB-CG 4.11Å; I235-P238 HydrophobicContact CG2-CB 3.83Å; I235-P238 HydrophobicContact CG2-CG 4.05Å; I235-P238 VanDerWaalsContact O-CD 3.29Å; I235-P238 WeakPolarHBondContact O-CD 3Å
236	S	92.3	Very high	95.8	Very high	94 Å²	94	52.9 Å²	52.9	66%	0.657	28%	0.28	S	S	*	.	S	Bend	trans	-71.1	105.8	-177.8	-174.1	0	0	0	0	110.5
237	C	95.3	Very high	95.4	Very high	12 Å²	12	48.4 Å²	48.4	8%	0.081	28%	0.277	C	S	.	.	S	Bend	trans	48.8	58.8	172	-44.5	0	0	0	0	115	I235 H241 P253 C255	I235-C237 PolarHBondContact O-N 2.89Å; C237-H241 HydrophobicContact CB-CB 3.9Å; C237-P253 HydrophobicContact CB-CB 4.05Å; C237-P253 HydrophobicContact CB-CG 4.28Å; C237-C255 WeakPolarHBondContact CA-SG 3.47Å; C237-C255 HydrophobicContact CB-CB 3.62Å; C237-C255 WeakPolarHBondContact CB-SG 3.3Å; C237-C255 PolarHBondContact N-SG 2.79Å; C237-C255 WeakPolarHBondContact SG-CB 3.37Å; C237-C255 PolarHBondContact SG-N 2.83Å; C237-C255 VanDerWaalsContact SG-N 3.37Å; C237-C255 CovalentContact SG-SG 2.03Å; C237-C255 PolarHBondContact SG-SG 2.82Å
238	P	96.1	Very high	94.8	Very high	59 Å²	59	54.1 Å²	54.1	38%	0.383	32%	0.318	S	S	.	.	S	Bend	trans	-76.8	-26	-178.6	31.5	-35.1	0	0	0	113.7	H232 I235	H232-P238 HydrophobicContact CB-CG 3.45Å; H232-P238 VanDerWaalsContact CB-CG 3.45Å; I235-P238 HydrophobicContact CB-CB 4.4Å; I235-P238 HydrophobicContact CB-CG 4.11Å; I235-P238 HydrophobicContact CG2-CB 3.83Å; I235-P238 HydrophobicContact CG2-CG 4.05Å; I235-P238 VanDerWaalsContact O-CD 3.29Å; I235-P238 WeakPolarHBondContact O-CD 3Å
239	Y	95.8	Very high	94.6	Very high	81 Å²	81	58.6 Å²	58.6	32%	0.318	33%	0.331	S	S	.	.	S	Bend	trans	-91.4	-90.2	-178	-51.9	-57	0	0	0	108.4	E230 H232 D277	E230-Y239 HydrophobicContact CG-CD2 3.89Å; E230-Y239 HydrophobicContact CG-CG 4.25Å; H232-Y239 HydrophobicContact CB-CD2 4.39Å; H232-Y239 HydrophobicContact CB-CE2 3.78Å; H232-Y239 AromaticContact CD2-CE2 4Å; H232-Y239 PolarHBondContact CD2-OH 2.95Å; Y239-D277 WeakPolarHBondContact CA-OD2 3.43Å; Y239-D277 VanDerWaalsContact CB-OD2 3.24Å; Y239-D277 WeakPolarHBondContact CB-OD2 3.33Å; Y239-D277 WeakPolarHBondContact CD1-OD2 3.46Å
240	D	98.1	Very high	94.5	Very high	0 Å²	0	64 Å²	64	0%	0	36%	0.356	C	S	.	.	S	Bend	trans	-101.7	145.9	-176.7	-57.5	-19.4	0	0	0	111.4	Y201 V229 E230 C255 H275 S276 D277	Y201-D240 WeakPolarHBondContact CE2-OD2 3.48Å; Y201-D240 PolarHBondContact OH-OD2 3.42Å; V229-D240 HydrophobicContact CG1-CB 3.62Å; E230-D240 HydrophobicContact CB-CB 3.94Å; E230-D240 VanDerWaalsContact CB-OD2 3.26Å; E230-D240 WeakPolarHBondContact CB-OD2 3.42Å; D240-C255 WeakPolarHBondContact O-CB 3.49Å; D240-H275 WeakPolarHBondContact CA-O 3.16Å; D240-S276 WeakPolarHBondContact OD1-CA 3.5Å; D240-D277 PolarHBondContact OD1-N 3.24Å
241	H	97.5	Very high	94.5	Very high	23 Å²	23	63.6 Å²	63.6	11%	0.106	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	148.5	179	58.9	-87	0	0	0	114.8	C237 K243 P253 F274 H275	C237-H241 HydrophobicContact CB-CB 3.9Å; H241-K243 VanDerWaalsContact CD2-CE 3.48Å; H241-K243 WeakPolarHBondContact CD2-CE 3.3Å; H241-K243 PolarHBondContact NE2-NZ 2.86Å; H241-P253 HydrophobicContact CB-CB 3.7Å; H241-F274 WeakPolarHBondContact O-CA 3.25Å; H241-H275 AromaticContact CE1-CD2 3.72Å; H241-H275 AromaticContact CE1-CG 3.88Å; H241-H275 PolarHBondContact N-O 2.86Å; H241-H275 AromaticContact ND1-CD2 3.95Å; H241-H275 PolarHBondContact O-N 2.79Å
242	L	97.6	Very high	94.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.8	169	-170.6	72.8	0	0	0	110.7	F223 F227 I244 P253 F254 I272 Q273 F274 W285	F223-L242 HydrophobicContact CE1-CD2 3.42Å; F223-L242 VanDerWaalsContact CE1-CD2 3.42Å; F223-L242 HydrophobicContact CZ-CD2 3.63Å; F227-L242 HydrophobicContact CE2-CD2 4.46Å; L242-I244 HydrophobicContact CG-CG1 4.5Å; L242-P253 CarbonylContact O-C 3.53Å; L242-P253 WeakPolarHBondContact O-CA 3.47Å; L242-F254 HydrophobicContact CB-CB 4.32Å; L242-F254 PolarHBondContact N-O 2.86Å; L242-F254 PolarHBondContact O-N 3.05Å; L242-I272 HydrophobicContact CD1-CG2 3.4Å; L242-I272 HydrophobicContact CG-CG2 4.15Å; L242-Q273 CarbonylContact C-O 3.59Å; L242-Q273 WeakPolarHBondContact CA-O 3.15Å; L242-F274 HydrophobicContact CB-CD2 4.29Å; L242-F274 HydrophobicContact CD1-CB 3.76Å; L242-F274 HydrophobicContact CD1-CD2 4.06Å; L242-F274 HydrophobicContact CD1-CG 4.28Å; L242-W285 HydrophobicContact CD1-CD2 4.18Å; L242-W285 HydrophobicContact CD1-CH2 4.23Å; L242-W285 HydrophobicContact CD1-CZ2 3.57Å; L242-W285 HydrophobicContact CD2-CD2 4.12Å; L242-W285 HydrophobicContact CD2-CE3 4.41Å; L242-W285 HydrophobicContact CD2-CG 4.34Å
243	K	97	Very high	94.5	Very high	61 Å²	61	62 Å²	62	27%	0.265	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.7	172.3	-77.2	168.6	-177	156.6	0	110.4	H241 P253 I272 Q273	H241-K243 VanDerWaalsContact CD2-CE 3.48Å; H241-K243 WeakPolarHBondContact CD2-CE 3.3Å; H241-K243 PolarHBondContact NE2-NZ 2.86Å; K243-P253 HydrophobicContact CG-CB 4.23Å; K243-I272 CarbonylContact O-C 3.59Å; K243-I272 WeakPolarHBondContact O-CA 3.4Å; K243-Q273 HydrophobicContact CB-CB 4.48Å; K243-Q273 PolarHBondContact N-O 2.72Å; K243-Q273 PolarHBondContact O-N 3.1Å
244	I	97.6	Very high	94.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.5	-179	-47.5	170.4	0	0	0	109.7	M221 F223 L242 E250 F251 F254 I263 V270 S271 I272	M221-I244 HydrophobicContact CE-CD1 4.38Å; M221-I244 HydrophobicContact CE-CG2 3.89Å; M221-I244 HydrophobicContact SD-CD1 4.39Å; M221-I244 HydrophobicContact SD-CG2 4.23Å; F223-I244 HydrophobicContact CE2-CD1 3.91Å; F223-I244 HydrophobicContact CZ-CD1 3.68Å; L242-I244 HydrophobicContact CG-CG1 4.5Å; I244-E250 CarbonylContact O-C 3.52Å; I244-E250 WeakPolarHBondContact O-CA 3.49Å; I244-F251 HydrophobicContact CB-CB 4.24Å; I244-F251 PolarHBondContact N-O 2.01Å; I244-F251 PolarHBondContact O-N 3.06Å; I244-F254 HydrophobicContact CD1-CD2 4.45Å; I244-F254 HydrophobicContact CD1-CE2 4.02Å; I244-F254 HydrophobicContact CG1-CE2 4.47Å; I244-I263 HydrophobicContact CD1-CD1 3.97Å; I244-V270 HydrophobicContact CG2-CG1 3.38Å; I244-S271 CarbonylContact C-O 3.56Å; I244-S271 WeakPolarHBondContact CA-O 3.4Å; I244-I272 HydrophobicContact CG1-CG1 4.28Å; I244-I272 HydrophobicContact CG1-CG2 4.36Å; I244-I272 HydrophobicContact CG2-CG1 3.95Å
245	Q	96.5	Very high	95	Very high	69 Å²	69	53.1 Å²	53.1	32%	0.322	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.3	174.5	-173.9	66.3	29.9	0	0	109.7	G247 V270 S271	Q245-G247 PolarHBondContact NE2-O 2.92Å; Q245-V270 CarbonylContact O-C 3.59Å; Q245-V270 WeakPolarHBondContact O-CA 3.24Å; Q245-S271 PolarHBondContact N-O 2.88Å; Q245-S271 PolarHBondContact O-N 2.77Å
246	A	94.9	Very high	95.1	Very high	6 Å²	6	49.1 Å²	49.1	5%	0.05	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	102.6	175.1	0	0	0	0	0	110.1	S248 R249 F251 T265 V270	A246-S248 PolarHBondContact O-N 2.9Å; A246-R249 PolarHBondContact N-O 2.78Å; A246-R249 PolarHBondContact O-N 3.07Å; A246-R249 VanDerWaalsContact O-N 3.08Å; A246-F251 HydrophobicContact CB-CE2 4.02Å; A246-T265 HydrophobicContact CB-CG2 3.56Å; A246-V270 HydrophobicContact CB-CG2 3.9Å
247	G	85.9	Confident	95.3	Very high	45 Å²	45	51.2 Å²	51.2	46%	0.464	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-119.1	-171	0	0	0	0	0	111.5	Q245 I269	Q245-G247 PolarHBondContact NE2-O 2.92Å; G247-I269 PolarHBondContact N-O 2.66Å
248	S	86.8	Confident	95.3	Very high	126 Å²	126	60.9 Å²	60.9	88%	0.881	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.7	177.3	56.8	0	0	0	0	114.5	A246	A246-S248 PolarHBondContact O-N 2.9Å
249	R	93.9	Very high	95.3	Very high	143 Å²	143	59.4 Å²	59.4	54%	0.54	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.4	-174.9	-172.7	173	174.6	-177.9	-1	110.9	A246 F251	A246-R249 PolarHBondContact N-O 2.78Å; A246-R249 PolarHBondContact O-N 3.07Å; A246-R249 VanDerWaalsContact O-N 3.08Å; R249-F251 HydrophobicContact CB-CE2 4.33Å; R249-F251 HydrophobicContact CG-CD2 4.49Å; R249-F251 HydrophobicContact CG-CE2 3.92Å; R249-F251 HydrophobicContact CG-CZ 4.02Å
250	E	95.3	Very high	95.2	Very high	115 Å²	115	57.3 Å²	57.3	54%	0.537	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143.3	173.7	-163.2	177.2	140.3	0	0	110.2	I244	I244-E250 CarbonylContact O-C 3.52Å; I244-E250 WeakPolarHBondContact O-CA 3.49Å
251	F	96.3	Very high	95.2	Very high	28 Å²	28	58.5 Å²	58.5	12%	0.123	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.2	173.1	-57.3	-99.6	0	0	0	109.2	I244 A246 R249 F254 I263 T265	I244-F251 HydrophobicContact CB-CB 4.24Å; I244-F251 PolarHBondContact N-O 2.01Å; I244-F251 PolarHBondContact O-N 3.06Å; A246-F251 HydrophobicContact CB-CE2 4.02Å; R249-F251 HydrophobicContact CB-CE2 4.33Å; R249-F251 HydrophobicContact CG-CD2 4.49Å; R249-F251 HydrophobicContact CG-CE2 3.92Å; R249-F251 HydrophobicContact CG-CZ 4.02Å; F251-F254 HydrophobicContact CB-CE2 3.89Å; F251-F254 HydrophobicContact CB-CZ 3.92Å; F251-I263 HydrophobicContact CD1-CG2 3.91Å; F251-I263 HydrophobicContact CD2-CG2 4.4Å; F251-I263 HydrophobicContact CE1-CG2 3.71Å; F251-I263 HydrophobicContact CE2-CG2 4.23Å; F251-I263 HydrophobicContact CG-CG2 4.25Å; F251-I263 HydrophobicContact CZ-CG2 3.88Å; F251-T265 HydrophobicContact CE2-CG2 4.35Å
252	G	93.8	Very high	95.2	Very high	35 Å²	35	61.6 Å²	61.6	36%	0.361	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102.6	-163.5	-175.7	0	0	0	0	0	112.4	F254	G252-F254 VanDerWaalsContact N-CZ 3.34Å
253	P	96.3	Very high	95.1	Very high	47 Å²	47	62.2 Å²	62.2	31%	0.305	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-62.4	143.7	-1.5	26.6	-34.1	0	0	0	112.4	C237 H241 L242 K243	C237-P253 HydrophobicContact CB-CB 4.05Å; C237-P253 HydrophobicContact CB-CG 4.28Å; H241-P253 HydrophobicContact CB-CB 3.7Å; L242-P253 CarbonylContact O-C 3.53Å; L242-P253 WeakPolarHBondContact O-CA 3.47Å; K243-P253 HydrophobicContact CG-CB 4.23Å
254	F	97.7	Very high	95	Very high	49 Å²	49	67 Å²	67	22%	0.215	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.5	174.7	-55.5	-68.7	0	0	0	110.5	F227 L242 I244 F251 G252 P260 I263	F227-F254 HydrophobicContact CZ-CB 3.94Å; L242-F254 HydrophobicContact CB-CB 4.32Å; L242-F254 PolarHBondContact N-O 2.86Å; L242-F254 PolarHBondContact O-N 3.05Å; I244-F254 HydrophobicContact CD1-CD2 4.45Å; I244-F254 HydrophobicContact CD1-CE2 4.02Å; I244-F254 HydrophobicContact CG1-CE2 4.47Å; F251-F254 HydrophobicContact CB-CE2 3.89Å; F251-F254 HydrophobicContact CB-CZ 3.92Å; G252-F254 VanDerWaalsContact N-CZ 3.34Å; F254-P260 HydrophobicContact CB-CG 4.01Å; F254-P260 HydrophobicContact CD1-CB 4.12Å; F254-P260 HydrophobicContact CD1-CG 3.69Å; F254-P260 HydrophobicContact CD2-CG 3.95Å; F254-P260 HydrophobicContact CE1-CB 3.98Å; F254-P260 HydrophobicContact CE1-CG 4.06Å; F254-P260 HydrophobicContact CE2-CB 4.43Å; F254-P260 HydrophobicContact CE2-CG 4.3Å; F254-P260 HydrophobicContact CG-CB 4.4Å; F254-P260 HydrophobicContact CG-CG 3.61Å; F254-P260 HydrophobicContact CZ-CB 4.13Å; F254-P260 HydrophobicContact CZ-CG 4.34Å; F254-I263 HydrophobicContact CE2-CD1 4.09Å; F254-I263 HydrophobicContact CZ-CD1 4.05Å
255	C	97.4	Very high	94.8	Very high	28 Å²	28	67.2 Å²	67.2	19%	0.189	36%	0.357	C	S	.	.			trans	-153.5	176.8	175.3	62.7	0	0	0	0	109.7	V229 E230 C237 D240	V229-C255 HydrophobicContact CB-CB 4.4Å; V229-C255 HydrophobicContact CG1-CB 3.95Å; E230-C255 WeakPolarHBondContact O-CB 3.02Å; C237-C255 WeakPolarHBondContact CA-SG 3.47Å; C237-C255 HydrophobicContact CB-CB 3.62Å; C237-C255 WeakPolarHBondContact CB-SG 3.3Å; C237-C255 PolarHBondContact N-SG 2.79Å; C237-C255 WeakPolarHBondContact SG-CB 3.37Å; C237-C255 PolarHBondContact SG-N 2.83Å; C237-C255 VanDerWaalsContact SG-N 3.37Å; C237-C255 CovalentContact SG-SG 2.03Å; C237-C255 PolarHBondContact SG-SG 2.82Å; D240-C255 WeakPolarHBondContact O-CB 3.49Å
256	G	96.1	Very high	94.5	Very high	11 Å²	11	70.4 Å²	70.4	11%	0.113	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	89.1	-159	-178.3	0	0	0	0	0	112.8	F227 V229	F227-G256 VanDerWaalsContact CD1-O 3.22Å; F227-G256 WeakPolarHBondContact CD1-O 3.38Å; F227-G256 WeakPolarHBondContact CE1-O 3.5Å; V229-G256 PolarHBondContact N-O 3.03Å; V229-G256 VanDerWaalsContact O-CA 3.25Å; V229-G256 WeakPolarHBondContact O-CA 3.29Å; V229-G256 PolarHBondContact O-N 3.05Å
257	D	95.9	Very high	94.5	Very high	138 Å²	138	71 Å²	71	74%	0.738	38%	0.38	S	S	*	.	S	Bend	trans	-98.1	-0.6	-175.9	66.8	-12.4	0	0	0	113.6	F227	F227-D257 CarbonylContact O-C 3.49Å; F227-D257 WeakPolarHBondContact O-CA 3.43Å
258	R	94.6	Very high	94.9	Very high	214 Å²	214	70.7 Å²	70.7	81%	0.808	37%	0.368	S	S	*	.			trans	-105.2	109	-172.6	-163.1	178.2	-156.9	-147	4.3	112.1
259	S	95.6	Very high	95.3	Very high	29 Å²	29	67.1 Å²	67.1	20%	0.203	34%	0.338	C	S	.	.			trans	-56.9	135.7	175.8	-176.1	0	0	0	0	112.9	F223 D224 G261	F223-S259 WeakPolarHBondContact CB-OG 3.22Å; D224-S259 WeakPolarHBondContact O-CB 2.96Å; D224-S259 PolarHBondContact O-OG 3.06Å; S259-G261 PolarHBondContact O-N 2.9Å; S259-G261 PolarHBondContact OG-N 2.85Å
260	P	95.5	Very high	95.4	Very high	36 Å²	36	60.3 Å²	60.3	23%	0.234	31%	0.313	C	S	.	.			trans	-63.3	-15.6	173.4	-22.7	33.5	0	0	0	114.4	F223 F227 F254 I263	F223-P260 HydrophobicContact CD1-CG 4.46Å; F223-P260 HydrophobicContact CD2-CB 4.3Å; F223-P260 HydrophobicContact CD2-CG 4.5Å; F223-P260 HydrophobicContact CG-CG 4.41Å; F227-P260 HydrophobicContact CE2-CG 4.44Å; F254-P260 HydrophobicContact CB-CG 4.01Å; F254-P260 HydrophobicContact CD1-CB 4.12Å; F254-P260 HydrophobicContact CD1-CG 3.69Å; F254-P260 HydrophobicContact CD2-CG 3.95Å; F254-P260 HydrophobicContact CE1-CB 3.98Å; F254-P260 HydrophobicContact CE1-CG 4.06Å; F254-P260 HydrophobicContact CE2-CB 4.43Å; F254-P260 HydrophobicContact CE2-CG 4.3Å; F254-P260 HydrophobicContact CG-CB 4.4Å; F254-P260 HydrophobicContact CG-CG 3.61Å; F254-P260 HydrophobicContact CZ-CB 4.13Å; F254-P260 HydrophobicContact CZ-CG 4.34Å; P260-I263 HydrophobicContact CB-CD1 4.15Å
261	G	96.4	Very high	95.4	Very high	26 Å²	26	56.1 Å²	56.1	27%	0.268	30%	0.296	S	S	.	.			trans	71.7	-136.2	-179.3	0	0	0	0	0	113.5	F223 S259	F223-G261 WeakPolarHBondContact CD2-O 3.35Å; F223-G261 PolarHBondContact N-O 2.84Å; F223-G261 VanDerWaalsContact N-O 3.09Å; S259-G261 PolarHBondContact O-N 2.9Å; S259-G261 PolarHBondContact OG-N 2.85Å
262	I	97.4	Very high	95.5	Very high	87 Å²	87	54.8 Å²	54.8	45%	0.446	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.2	-176.7	-61	171.1	0	0	0	110.3	Q220 M221 N222 R264	Q220-I262 HydrophobicContact CG-CG2 3.94Å; M221-I262 CarbonylContact O-C 3.54Å; M221-I262 WeakPolarHBondContact O-CA 3.33Å; N222-I262 HydrophobicContact CB-CG1 4.35Å; N222-I262 WeakPolarHBondContact OD1-CG1 3.47Å; I262-R264 HydrophobicContact CG2-CG 4.38Å
263	I	96.4	Very high	95.6	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.7	173.6	-63	176	0	0	0	109	Q220 M221 F223 I244 F251 F254 P260 T265	Q220-I263 WeakPolarHBondContact CA-O 3.48Å; M221-I263 HydrophobicContact CE-CB 4.09Å; M221-I263 HydrophobicContact CE-CG2 3.77Å; M221-I263 PolarHBondContact N-O 3.02Å; M221-I263 PolarHBondContact O-N 3.49Å; F223-I263 HydrophobicContact CE2-CD1 4.04Å; I244-I263 HydrophobicContact CD1-CD1 3.97Å; F251-I263 HydrophobicContact CD1-CG2 3.91Å; F251-I263 HydrophobicContact CD2-CG2 4.4Å; F251-I263 HydrophobicContact CE1-CG2 3.71Å; F251-I263 HydrophobicContact CE2-CG2 4.23Å; F251-I263 HydrophobicContact CG-CG2 4.25Å; F251-I263 HydrophobicContact CZ-CG2 3.88Å; F254-I263 HydrophobicContact CE2-CD1 4.09Å; F254-I263 HydrophobicContact CZ-CD1 4.05Å; P260-I263 HydrophobicContact CB-CD1 4.15Å; I263-T265 HydrophobicContact CG2-CG2 4.21Å
264	R	94.8	Very high	95.7	Very high	161 Å²	161	53.1 Å²	53.1	61%	0.608	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.3	172.2	-69.3	-178.1	175.7	92.8	2.3	109.1	Q220 I262	Q220-R264 HydrophobicContact CG-CG 3.93Å; I262-R264 HydrophobicContact CG2-CG 4.38Å
265	T	94.1	Very high	95.7	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.031	27%	0.27	C	S	.	.			trans	-102.1	158.8	178.2	74.7	0	0	0	0	110.9	R218 I219 M221 A246 F251 I263 S267 V270	R218-T265 WeakPolarHBondContact CB-O 3.45Å; I219-T265 PolarHBondContact N-OG1 2.86Å; I219-T265 WeakPolarHBondContact O-CB 3.38Å; I219-T265 WeakPolarHBondContact O-CG2 3.43Å; I219-T265 PolarHBondContact O-N 2.78Å; I219-T265 PolarHBondContact O-OG1 3.24Å; M221-T265 HydrophobicContact CE-CG2 3.67Å; A246-T265 HydrophobicContact CB-CG2 3.56Å; F251-T265 HydrophobicContact CE2-CG2 4.35Å; I263-T265 HydrophobicContact CG2-CG2 4.21Å; T265-S267 PolarHBondContact OG1-O 2.88Å; T265-V270 HydrophobicContact CG2-CG2 4.08Å
266	D	89.9	Confident	95.7	Very high	136 Å²	136	52 Å²	52	73%	0.727	26%	0.262	S	S	*	.	S	Bend	trans	-101	20.7	172.3	-61.7	-48.2	0	0	0	111.8
267	S	93.8	Very high	95.7	Very high	18 Å²	18	52.8 Å²	52.8	13%	0.126	26%	0.263	C	S	.	.			trans	-129.1	149.3	-176	-168.6	0	0	0	0	112.3	I219 T265 I269	I219-S267 PolarHBondContact N-O 3.35Å; T265-S267 PolarHBondContact OG1-O 2.88Å; S267-I269 VanDerWaalsContact C-N 3.29Å; S267-I269 PolarHBondContact OG-N 2.99Å; S267-I269 VanDerWaalsContact OG-N 3.14Å; S267-I269 PolarHBondContact OG-O 2.79Å
268	N	94.1	Very high	95.5	Very high	39 Å²	39	51 Å²	51	21%	0.209	25%	0.254	C	S	.	.	S	Bend	trans	-84	-4.3	168.3	63.6	-59.1	0	0	0	112.7	L213 E214 F217 I219	L213-N268 HydrophobicContact CB-CB 4.37Å; L213-N268 PolarHBondContact N-O 2.03Å; L213-N268 PolarHBondContact O-ND2 3.48Å; E214-N268 WeakPolarHBondContact O-CB 3.18Å; F217-N268 WeakPolarHBondContact O-CA 3.48Å; F217-N268 VanDerWaalsContact O-CB 3.25Å; F217-N268 WeakPolarHBondContact O-CB 3.05Å; F217-N268 PolarHBondContact O-N 3.47Å; I219-N268 WeakPolarHBondContact CD1-O 3.24Å
269	I	95.6	Very high	95.4	Very high	51 Å²	51	43 Å²	43	26%	0.262	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.8	179.8	-51	-176.9	0	0	0	109.4	I211 E212 G247 S267	I211-I269 WeakPolarHBondContact O-CA 3.17Å; E212-I269 HydrophobicContact CG-CD1 4.31Å; E212-I269 HydrophobicContact CG-CG1 4.2Å; G247-I269 PolarHBondContact N-O 2.66Å; S267-I269 VanDerWaalsContact C-N 3.29Å; S267-I269 PolarHBondContact OG-N 2.99Å; S267-I269 VanDerWaalsContact OG-N 3.14Å; S267-I269 PolarHBondContact OG-O 2.79Å
270	V	96.7	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.1	176.5	178.3	0	0	0	0	108.8	R210 I211 I219 M221 I244 Q245 A246 T265 I272	R210-V270 CarbonylContact C-O 3.46Å; R210-V270 WeakPolarHBondContact CA-O 2.96Å; I211-V270 HydrophobicContact CB-CB 4.39Å; I211-V270 HydrophobicContact CD1-CB 4.47Å; I211-V270 PolarHBondContact N-O 2.86Å; I211-V270 PolarHBondContact O-N 3.06Å; I219-V270 HydrophobicContact CB-CG2 3.88Å; I219-V270 HydrophobicContact CD1-CB 4.15Å; I219-V270 HydrophobicContact CD1-CG2 3.63Å; I219-V270 HydrophobicContact CG1-CG2 4.36Å; I219-V270 HydrophobicContact CG2-CG2 4.02Å; M221-V270 HydrophobicContact CE-CG1 4.13Å; M221-V270 HydrophobicContact SD-CG1 4.01Å; I244-V270 HydrophobicContact CG2-CG1 3.38Å; Q245-V270 CarbonylContact O-C 3.59Å; Q245-V270 WeakPolarHBondContact O-CA 3.24Å; A246-V270 HydrophobicContact CB-CG2 3.9Å; T265-V270 HydrophobicContact CG2-CG2 4.08Å; V270-I272 HydrophobicContact CG1-CD1 4.47Å; V270-I272 HydrophobicContact CG1-CG1 4Å
271	S	95.9	Very high	95	Very high	27 Å²	27	46.4 Å²	46.4	19%	0.189	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.7	171	-56.5	0	0	0	0	109	Y209 I244 Q245	Y209-S271 CarbonylContact O-C 3.58Å; Y209-S271 WeakPolarHBondContact O-CA 3.36Å; I244-S271 CarbonylContact C-O 3.56Å; I244-S271 WeakPolarHBondContact CA-O 3.4Å; Q245-S271 PolarHBondContact N-O 2.88Å; Q245-S271 PolarHBondContact O-N 2.77Å
272	I	96.6	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.5	-178.7	-57.9	162.3	0	0	0	107	L192 W208 Y209 I211 M221 L242 K243 I244 V270 W285 L287	L192-I272 HydrophobicContact CD1-CD1 3.82Å; W208-I272 WeakPolarHBondContact CA-O 3.38Å; Y209-I272 HydrophobicContact CD2-CB 4.39Å; Y209-I272 HydrophobicContact CD2-CG2 4.32Å; Y209-I272 PolarHBondContact N-O 2.8Å; Y209-I272 PolarHBondContact O-N 3.3Å; I211-I272 HydrophobicContact CD1-CD1 4.33Å; M221-I272 HydrophobicContact SD-CD1 4.29Å; L242-I272 HydrophobicContact CD1-CG2 3.4Å; L242-I272 HydrophobicContact CG-CG2 4.15Å; K243-I272 CarbonylContact O-C 3.59Å; K243-I272 WeakPolarHBondContact O-CA 3.4Å; I244-I272 HydrophobicContact CG1-CG1 4.28Å; I244-I272 HydrophobicContact CG1-CG2 4.36Å; I244-I272 HydrophobicContact CG2-CG1 3.95Å; V270-I272 HydrophobicContact CG1-CD1 4.47Å; V270-I272 HydrophobicContact CG1-CG1 4Å; I272-W285 HydrophobicContact CG2-CH2 4.16Å; I272-W285 HydrophobicContact CG2-CZ2 4.43Å; I272-L287 HydrophobicContact CD1-CD2 4.08Å
273	Q	96.9	Very high	95	Very high	44 Å²	44	46.4 Å²	46.4	21%	0.206	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.2	174.6	-176.4	-175.5	11.3	0	0	108.6	C207 W208 L242 K243	C207-Q273 CarbonylContact O-C 3.56Å; C207-Q273 WeakPolarHBondContact O-CA 3.16Å; W208-Q273 HydrophobicContact CD2-CB 4.29Å; W208-Q273 HydrophobicContact CD2-CG 4.19Å; W208-Q273 HydrophobicContact CE3-CB 4.08Å; W208-Q273 HydrophobicContact CE3-CG 4.43Å; W208-Q273 HydrophobicContact CH2-CB 4.02Å; W208-Q273 HydrophobicContact CH2-CG 3.99Å; W208-Q273 HydrophobicContact CZ2-CB 4.23Å; W208-Q273 HydrophobicContact CZ2-CG 3.71Å; W208-Q273 VanDerWaalsContact CZ2-NE2 3.33Å; W208-Q273 HydrophobicContact CZ3-CB 3.94Å; W208-Q273 HydrophobicContact CZ3-CG 4.33Å; L242-Q273 CarbonylContact C-O 3.59Å; L242-Q273 WeakPolarHBondContact CA-O 3.15Å; K243-Q273 HydrophobicContact CB-CB 4.48Å; K243-Q273 PolarHBondContact N-O 2.72Å; K243-Q273 PolarHBondContact O-N 3.1Å
274	F	97.7	Very high	95.1	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.6	170.4	-178.5	-122.9	0	0	0	109.2	Y201 C207 V229 H241 L242 W285	Y201-F274 HydrophobicContact CD1-CE1 4.26Å; Y201-F274 AromaticContact CD1-CZ 3.93Å; Y201-F274 HydrophobicContact CD1-CZ 3.93Å; Y201-F274 AromaticContact CD2-CE1 4Å; Y201-F274 HydrophobicContact CD2-CE1 4Å; Y201-F274 AromaticContact CD2-CZ 3.97Å; Y201-F274 HydrophobicContact CD2-CZ 3.97Å; Y201-F274 AromaticContact CE1-CZ 3.94Å; Y201-F274 HydrophobicContact CE1-CZ 3.94Å; Y201-F274 HydrophobicContact CE2-CE1 4.48Å; Y201-F274 HydrophobicContact CE2-CZ 4.02Å; Y201-F274 AromaticContact CG-CE1 3.88Å; Y201-F274 HydrophobicContact CG-CE1 3.88Å; Y201-F274 AromaticContact CG-CZ 3.93Å; Y201-F274 HydrophobicContact CG-CZ 3.93Å; C207-F274 HydrophobicContact CB-CB 4.31Å; C207-F274 PolarHBondContact N-O 2.87Å; C207-F274 PolarHBondContact O-N 3.04Å; V229-F274 HydrophobicContact CG1-CE2 4.02Å; V229-F274 HydrophobicContact CG2-CE2 4.07Å; H241-F274 WeakPolarHBondContact O-CA 3.25Å; L242-F274 HydrophobicContact CB-CD2 4.29Å; L242-F274 HydrophobicContact CD1-CB 3.76Å; L242-F274 HydrophobicContact CD1-CD2 4.06Å; L242-F274 HydrophobicContact CD1-CG 4.28Å; F274-W285 HydrophobicContact CB-CZ2 4.01Å; F274-W285 AromaticContact CD1-NE1 3.59Å; F274-W285 AromaticContact CD2-CD1 3.85Å; F274-W285 AromaticContact CD2-NE1 3.23Å; F274-W285 AromaticContact CE1-NE1 3.91Å; F274-W285 AromaticContact CE2-CD1 3.77Å; F274-W285 AromaticContact CE2-NE1 3.58Å; F274-W285 HydrophobicContact CG-CZ2 4.33Å; F274-W285 AromaticContact CG-NE1 3.25Å; F274-W285 AromaticContact CZ-NE1 3.91Å
275	H	97.8	Very high	95.2	Very high	52 Å²	52	38.1 Å²	38.1	24%	0.241	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.5	178.5	-179.5	74	0	0	0	109.6	D206 D240 H241	D206-H275 IonicContact OD1-CE1 3.03Å; D206-H275 IonicContact OD1-CG 3.69Å; D206-H275 IonicContact OD1-ND1 3.14Å; D206-H275 PolarHBondContact OD1-ND1 3.39Å; D206-H275 IonicContact OD2-ND1 3.77Å; D240-H275 WeakPolarHBondContact CA-O 3.16Å; H241-H275 AromaticContact CE1-CD2 3.72Å; H241-H275 AromaticContact CE1-CG 3.88Å; H241-H275 PolarHBondContact N-O 2.86Å; H241-H275 AromaticContact ND1-CD2 3.95Å; H241-H275 PolarHBondContact O-N 2.79Å
276	S	97.6	Very high	95.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.007	23%	0.225	C	C	.	.			trans	-132.6	134.8	175.5	50.4	0	0	0	0	110.5	P202 S204 S205 D240	P202-S276 PolarHBondContact O-OG 3.29Å; S204-S276 VanDerWaalsContact CA-O 3.3Å; S204-S276 WeakPolarHBondContact CA-O 3.2Å; S204-S276 PolarHBondContact N-O 3.3Å; S205-S276 WeakPolarHBondContact CA-OG 3.41Å; S205-S276 WeakPolarHBondContact CB-OG 3.44Å; S205-S276 PolarHBondContact N-O 2.91Å; S205-S276 PolarHBondContact N-OG 3.47Å; S205-S276 PolarHBondContact O-N 2.66Å; S205-S276 PolarHBondContact O-OG 2.76Å; D240-S276 WeakPolarHBondContact OD1-CA 3.5Å
277	D	95.4	Very high	95.8	Very high	28 Å²	28	36.1 Å²	36.1	15%	0.15	19%	0.191	C	C	.	.			trans	-85.1	-167.8	177.7	77.3	16.3	0	0	0	112.7	K203 S204 Y239 D240 S279	K203-D277 CarbonylContact C-O 3.53Å; K203-D277 WeakPolarHBondContact CA-O 3.36Å; K203-D277 WeakPolarHBondContact CB-O 3.33Å; S204-D277 PolarHBondContact N-O 2.71Å; Y239-D277 WeakPolarHBondContact CA-OD2 3.43Å; Y239-D277 VanDerWaalsContact CB-OD2 3.24Å; Y239-D277 WeakPolarHBondContact CB-OD2 3.33Å; Y239-D277 WeakPolarHBondContact CD1-OD2 3.46Å; D240-D277 PolarHBondContact OD1-N 3.24Å; D277-S279 PolarHBondContact O-N 3.07Å; D277-S279 PolarHBondContact OD1-N 3.22Å; D277-S279 PolarHBondContact OD1-OG 2.83Å
278	D	93.2	Very high	96	Very high	102 Å²	102	37.7 Å²	37.7	55%	0.545	20%	0.201	S	C	.	.	S	Bend	trans	-82.3	8	-175.3	61.3	-16.5	0	0	0	114.5	T175	T175-D278 HydrophobicContact CG2-CB 3.9Å
279	S	91.4	Very high	96.1	Very high	46 Å²	46	36.1 Å²	36.1	32%	0.322	19%	0.193	S	C	.	.			trans	-135.1	179.6	-174.5	72.6	0	0	0	0	113.4	D277	D277-S279 PolarHBondContact O-N 3.07Å; D277-S279 PolarHBondContact OD1-N 3.22Å; D277-S279 PolarHBondContact OD1-OG 2.83Å
280	G	90.4	Very high	96.2	Very high	23 Å²	23	35.8 Å²	35.8	24%	0.237	20%	0.195	C	C	.	.			trans	87.9	153.5	175.3	0	0	0	0	0	116.7	K203 E230	K203-G280 WeakPolarHBondContact CE-O 3.36Å; E230-G280 WeakPolarHBondContact OE2-CA 3.42Å
281	E	92.9	Very high	96.1	Very high	113 Å²	113	37 Å²	37	53%	0.528	21%	0.205	S	C	.	.			trans	-129.5	27.2	176.1	-68.6	-65.9	147.1	0	0	111.4	P200 K203	P200-E281 WeakPolarHBondContact CB-OE2 3.46Å; P200-E281 HydrophobicContact CG-CB 4.43Å; P200-E281 WeakPolarHBondContact CG-O 3.34Å; K203-E281 WeakPolarHBondContact CE-OE1 3.44Å; K203-E281 IonicContact NZ-OE1 3.55Å; K203-E281 PolarHBondContact NZ-OE1 3.16Å
282	N	97	Very high	95.9	Very high	36 Å²	36	38 Å²	38	19%	0.193	21%	0.21	C	C	.	.			trans	-70.3	147.8	-174.8	-46.2	-89.9	0	0	0	111.1	P200 Y201 D228 E230 G284	P200-N282 VanDerWaalsContact CA-O 3.3Å; P200-N282 WeakPolarHBondContact CA-O 3.43Å; Y201-N282 WeakPolarHBondContact CD1-O 3.43Å; Y201-N282 HydrophobicContact CE1-CB 3.64Å; Y201-N282 WeakPolarHBondContact CE1-O 3.28Å; Y201-N282 PolarHBondContact N-O 3.12Å; Y201-N282 WeakPolarHBondContact OH-CB 3.41Å; Y201-N282 PolarHBondContact OH-ND2 3.44Å; D228-N282 WeakPolarHBondContact O-CB 3.34Å; D228-N282 WeakPolarHBondContact OD2-CA 3.01Å; E230-N282 WeakPolarHBondContact CB-ND2 3.49Å; E230-N282 PolarHBondContact OE2-ND2 2.92Å; N282-G284 PolarHBondContact O-N 3.2Å
283	L	97.3	Very high	95.6	Very high	77 Å²	77	38.8 Å²	38.8	40%	0.403	22%	0.218	S	C	.	.			trans	-77.2	-19.1	-168.8	-53.6	-179.2	0	0	0	114.3	F197 P198 P200 D228	F197-L283 WeakPolarHBondContact CD2-O 3.2Å; P198-L283 WeakPolarHBondContact O-CD2 3.28Å; P200-L283 HydrophobicContact CG-CD2 4.4Å; D228-L283 HydrophobicContact CB-CB 4.17Å; D228-L283 WeakPolarHBondContact OD2-CG 3.36Å; D228-L283 PolarHBondContact OD2-N 2.93Å
284	G	97.5	Very high	95.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	89.8	-144.3	176.5	0	0	0	0	0	114.7	S194 Y201 D228 N282	S194-G284 WeakPolarHBondContact OG-CA 3.42Å; Y201-G284 VanDerWaalsContact CD1-CA 3.41Å; D228-G284 PolarHBondContact N-O 3.21Å; D228-G284 WeakPolarHBondContact O-CA 3.3Å; D228-G284 PolarHBondContact O-N 2.8Å; N282-G284 PolarHBondContact O-N 3.2Å
285	W	97.9	Very high	95.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.			trans	-143	155.3	-169	58.1	-89.6	0	0	0	112.4	L192 N193 S194 Y209 F223 F227 L242 I272 F274 L287	L192-W285 HydrophobicContact CB-CH2 4.46Å; L192-W285 HydrophobicContact CB-CZ3 4.08Å; N193-W285 CarbonylContact C-O 3.54Å; N193-W285 WeakPolarHBondContact CA-O 3.43Å; N193-W285 VanDerWaalsContact CB-O 3.27Å; N193-W285 WeakPolarHBondContact CB-O 3.47Å; S194-W285 PolarHBondContact N-O 2.85Å; S194-W285 PolarHBondContact OG-N 3.08Å; S194-W285 PolarHBondContact OG-O 2.82Å; Y209-W285 HydrophobicContact CD2-CH2 4.01Å; Y209-W285 HydrophobicContact CD2-CZ2 4.2Å; Y209-W285 AromaticContact CE2-CH2 3.85Å; Y209-W285 HydrophobicContact CE2-CH2 3.85Å; Y209-W285 AromaticContact CE2-CZ2 3.69Å; Y209-W285 HydrophobicContact CE2-CZ2 3.69Å; F223-W285 HydrophobicContact CE1-CE3 4.22Å; F227-W285 HydrophobicContact CD2-CB 3.63Å; F227-W285 HydrophobicContact CE2-CB 3.65Å; F227-W285 HydrophobicContact CE2-CG 4.38Å; L242-W285 HydrophobicContact CD1-CD2 4.18Å; L242-W285 HydrophobicContact CD1-CH2 4.23Å; L242-W285 HydrophobicContact CD1-CZ2 3.57Å; L242-W285 HydrophobicContact CD2-CD2 4.12Å; L242-W285 HydrophobicContact CD2-CE3 4.41Å; L242-W285 HydrophobicContact CD2-CG 4.34Å; I272-W285 HydrophobicContact CG2-CH2 4.16Å; I272-W285 HydrophobicContact CG2-CZ2 4.43Å; F274-W285 HydrophobicContact CB-CZ2 4.01Å; F274-W285 AromaticContact CD1-NE1 3.59Å; F274-W285 AromaticContact CD2-CD1 3.85Å; F274-W285 AromaticContact CD2-NE1 3.23Å; F274-W285 AromaticContact CE1-NE1 3.91Å; F274-W285 AromaticContact CE2-CD1 3.77Å; F274-W285 AromaticContact CE2-NE1 3.58Å; F274-W285 HydrophobicContact CG-CZ2 4.33Å; F274-W285 AromaticContact CG-NE1 3.25Å; F274-W285 AromaticContact CZ-NE1 3.91Å; W285-L287 HydrophobicContact CE3-CD2 4.12Å; W285-L287 HydrophobicContact CE3-CG 4.46Å; W285-L287 HydrophobicContact CZ3-CD2 3.71Å; W285-L287 HydrophobicContact CZ3-CG 4.08Å
286	R	98	Very high	94.9	Very high	98 Å²	98	40.6 Å²	40.6	37%	0.37	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.5	171.5	177.7	178	-178.9	-179.6	1.4	109.8	V191 L192 N193 F197 D224	V191-R286 HydrophobicContact CG1-CG 4.15Å; L192-R286 CarbonylContact O-C 3.56Å; L192-R286 WeakPolarHBondContact O-CA 3.42Å; N193-R286 HydrophobicContact CB-CB 4.04Å; N193-R286 HydrophobicContact CB-CG 4.2Å; F197-R286 HydrophobicContact CD1-CB 3.81Å; F197-R286 HydrophobicContact CD1-CG 4.45Å; F197-R286 HydrophobicContact CD2-CB 4.49Å; F197-R286 HydrophobicContact CE1-CB 3.54Å; F197-R286 HydrophobicContact CE1-CG 4.27Å; F197-R286 HydrophobicContact CE2-CB 4.26Å; F197-R286 HydrophobicContact CG-CB 4.28Å; F197-R286 HydrophobicContact CZ-CB 3.78Å; D224-R286 HydrophobicContact CB-CB 3.93Å; D224-R286 HydrophobicContact CB-CG 4.37Å; D224-R286 WeakPolarHBondContact CB-O 3.33Å; D224-R286 PolarHBondContact N-O 3.03Å
287	L	97.4	Very high	94.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	154.1	171.4	71.1	86.1	0	0	0	111.2	V191 L192 M221 N222 F223 I272 W285	V191-L287 WeakPolarHBondContact CA-O 3.32Å; V191-L287 WeakPolarHBondContact CG1-O 3.49Å; L192-L287 HydrophobicContact CB-CD1 4.04Å; L192-L287 HydrophobicContact CB-CG 4.02Å; L192-L287 HydrophobicContact CD1-CD1 4Å; L192-L287 HydrophobicContact CG-CD1 4.47Å; L192-L287 PolarHBondContact N-O 3.24Å; L192-L287 PolarHBondContact O-N 2.76Å; L192-L287 VanDerWaalsContact O-O 3.09Å; M221-L287 HydrophobicContact CB-CD1 4.4Å; M221-L287 HydrophobicContact CG-CD1 4.27Å; N222-L287 WeakPolarHBondContact O-CA 3.42Å; F223-L287 HydrophobicContact CD1-CB 3.93Å; F223-L287 HydrophobicContact CD1-CD2 4.32Å; F223-L287 HydrophobicContact CD2-CB 4.18Å; F223-L287 HydrophobicContact CD2-CD2 4.49Å; F223-L287 HydrophobicContact CE1-CB 4.07Å; F223-L287 HydrophobicContact CE1-CD2 3.59Å; F223-L287 HydrophobicContact CE1-CG 4.44Å; F223-L287 HydrophobicContact CE2-CB 4.3Å; F223-L287 HydrophobicContact CE2-CD2 3.79Å; F223-L287 HydrophobicContact CG-CB 3.98Å; F223-L287 HydrophobicContact CZ-CB 4.25Å; F223-L287 HydrophobicContact CZ-CD2 3.28Å; F223-L287 HydrophobicContact CZ-CG 4.39Å; I272-L287 HydrophobicContact CD1-CD2 4.08Å; W285-L287 HydrophobicContact CE3-CD2 4.12Å; W285-L287 HydrophobicContact CE3-CG 4.46Å; W285-L287 HydrophobicContact CZ3-CD2 3.71Å; W285-L287 HydrophobicContact CZ3-CG 4.08Å
288	S	98	Very high	94.7	Very high	50 Å²	50	47.2 Å²	47.2	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143	163.5	60.7	0	0	0	0	109.2	G190 M221 N222	G190-S288 CarbonylContact O-C 3.57Å; G190-S288 VanDerWaalsContact O-CA 3.3Å; G190-S288 WeakPolarHBondContact O-CA 3.4Å; M221-S288 CarbonylContact C-O 3.55Å; M221-S288 WeakPolarHBondContact CA-O 3.33Å; N222-S288 PolarHBondContact N-O 3.19Å; N222-S288 PolarHBondContact O-N 2.89Å; N222-S288 PolarHBondContact O-OG 2.98Å
289	Y	97.4	Very high	94.6	Very high	6 Å²	6	43 Å²	43	2%	0.024	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.4	174	77.5	-94.3	0	0	0	110.8	F185 E187 S189 G190 L192 I211 I219 Q220	F185-Y289 HydrophobicContact CB-CE1 4.28Å; E187-Y289 WeakPolarHBondContact O-CE2 3.5Å; E187-Y289 PolarHBondContact O-OH 3.12Å; S189-Y289 CarbonylContact C-O 3.51Å; S189-Y289 WeakPolarHBondContact CA-O 3.38Å; S189-Y289 WeakPolarHBondContact CB-O 3.41Å; G190-Y289 VanDerWaalsContact CA-CE1 3.42Å; G190-Y289 PolarHBondContact N-O 2.73Å; G190-Y289 WeakPolarHBondContact O-CD1 3.49Å; G190-Y289 PolarHBondContact O-N 2.86Å; L192-Y289 HydrophobicContact CD1-CD1 4.05Å; L192-Y289 HydrophobicContact CD1-CE1 4.38Å; I211-Y289 HydrophobicContact CD1-CD1 3.67Å; I211-Y289 HydrophobicContact CD1-CD2 4.16Å; I211-Y289 HydrophobicContact CD1-CE1 4.14Å; I211-Y289 HydrophobicContact CD1-CG 3.7Å; I211-Y289 HydrophobicContact CG1-CD1 4.3Å; I211-Y289 HydrophobicContact CG1-CE1 4.27Å; I211-Y289 HydrophobicContact CG2-CD2 4.02Å; I211-Y289 HydrophobicContact CG2-CE1 4.49Å; I211-Y289 HydrophobicContact CG2-CE2 3.69Å; I219-Y289 HydrophobicContact CG2-CD2 4.44Å; Q220-Y289 CarbonylContact O-C 3.59Å; Q220-Y289 VanDerWaalsContact O-CA 3.25Å; Q220-Y289 WeakPolarHBondContact O-CA 3.35Å
290	S	96.4	Very high	94.5	Very high	44 Å²	44	49 Å²	49	31%	0.308	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.1	176.3	60	0	0	0	0	110.5	R188 Q220	R188-S290 CarbonylContact O-C 3.54Å; R188-S290 WeakPolarHBondContact O-CA 3.41Å; Q220-S290 PolarHBondContact N-O 3.49Å; Q220-S290 PolarHBondContact O-N 2.87Å
291	A	94.5	Very high	94.5	Very high	25 Å²	25	50.5 Å²	50.5	21%	0.207	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.5	172.6	0	0	0	0	0	110.1	R188 L213 F217 R218	R188-A291 HydrophobicContact CB-CB 4.01Å; R188-A291 HydrophobicContact CG-CB 4.3Å; R188-A291 WeakPolarHBondContact O-CB 3.22Å; R188-A291 PolarHBondContact O-N 3.41Å; L213-A291 HydrophobicContact CD1-CB 3.53Å; F217-A291 HydrophobicContact CB-CB 4.35Å; F217-A291 HydrophobicContact CD1-CB 3.81Å; F217-A291 HydrophobicContact CE1-CB 4.43Å; F217-A291 HydrophobicContact CG-CB 4.13Å; R218-A291 CarbonylContact O-C 3.49Å; R218-A291 WeakPolarHBondContact O-CA 3.45Å
292	T	91.7	Very high	94.4	Very high	49 Å²	49	46.1 Å²	46.1	30%	0.301	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.5	171.8	56.6	0	0	0	0	109	R218 Q220	R218-T292 WeakPolarHBondContact CB-OG1 3.44Å; R218-T292 PolarHBondContact N-O 3.35Å; R218-T292 PolarHBondContact O-N 3Å; R218-T292 PolarHBondContact O-OG1 2.03Å; Q220-T292 HydrophobicContact CB-CG2 4.07Å
293	G	90.3	Very high	94.2	Very high	16 Å²	16	48.9 Å²	48.9	17%	0.165	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-94.8	168.5	175.4	0	0	0	0	0	112.1
294	S	91.4	Very high	94	Very high	19 Å²	19	48.1 Å²	48.1	13%	0.133	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-68.5	140.3	159.7	-63.8	0	0	0	0	109.3	R218 T315 F316 A346	R218-S294 PolarHBondContact NH2-OG 2.82Å; S294-T315 CarbonylContact O-C 3.48Å; S294-T315 VanDerWaalsContact O-CA 3.31Å; S294-T315 WeakPolarHBondContact O-CA 3.41Å; S294-F316 PolarHBondContact O-N 3.4Å; S294-A346 VanDerWaalsContact CB-O 3.27Å; S294-A346 WeakPolarHBondContact CB-O 3.3Å; S294-A346 PolarHBondContact OG-O 3.41Å
295	Q	93.3	Very high	93.8	Very high	115 Å²	115	48.7 Å²	48.7	54%	0.537	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.7	179.5	-169.8	178.3	25	0	0	109.7	Y314	Q295-Y314 CarbonylContact C-O 3.58Å; Q295-Y314 WeakPolarHBondContact CA-O 3.23Å; Q295-Y314 WeakPolarHBondContact CG-O 3.34Å
296	C	94.4	Very high	93.6	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.02	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	149.5	172	-72.9	0	0	0	0	111.2	Y314 C344 G348 S349 W350	C296-Y314 PolarHBondContact N-O 3.38Å; C296-C344 HydrophobicContact CB-CB 3.87Å; C296-C344 WeakPolarHBondContact CB-SG 3.08Å; C296-C344 WeakPolarHBondContact SG-CA 3.29Å; C296-C344 WeakPolarHBondContact SG-CB 3.43Å; C296-C344 CovalentContact SG-SG 2.02Å; C296-C344 PolarHBondContact SG-SG 2.78Å; C296-G348 WeakPolarHBondContact CA-O 3.5Å; C296-G348 PolarHBondContact SG-O 2.99Å; C296-G348 VanDerWaalsContact SG-O 3.38Å; C296-S349 PolarHBondContact SG-O 3.26Å; C296-S349 VanDerWaalsContact SG-O 3.4Å; C296-W350 HydrophobicContact CB-CD2 4.36Å; C296-W350 HydrophobicContact CB-CZ2 3.99Å
297	P	94.8	Very high	93.4	Very high	86 Å²	86	47.7 Å²	47.7	56%	0.558	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-60.9	140.1	174	26.2	-33.6	0	0	0	109.9	P299 G348 W350	P297-P299 VanDerWaalsContact O-CD 3.23Å; P297-P299 WeakPolarHBondContact O-CD 3.34Å; P297-P299 VanDerWaalsContact O-N 3.15Å; P297-G348 WeakPolarHBondContact CD-O 3.25Å; P297-W350 PolarHBondContact O-NE1 3.14Å
298	V	93.8	Very high	93.3	Very high	82 Å²	82	51.5 Å²	51.5	50%	0.497	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-62.9	116.9	178.5	178.2	0	0	0	0	108.9	S312 Y314	V298-S312 VanDerWaalsContact CG2-O 3.3Å; V298-S312 WeakPolarHBondContact CG2-O 3.34Å; V298-Y314 HydrophobicContact CG1-CE2 4.34Å
299	P	91	Very high	93.1	Very high	15 Å²	15	51.2 Å²	51.2	10%	0.097	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-73	139.1	-178.7	26.3	-28.9	0	0	0	110.7	P297 M307 Y314 V320 F322 W350	P297-P299 VanDerWaalsContact O-CD 3.23Å; P297-P299 WeakPolarHBondContact O-CD 3.34Å; P297-P299 VanDerWaalsContact O-N 3.15Å; P299-M307 HydrophobicContact CB-SD 4.11Å; P299-M307 HydrophobicContact CG-CE 4.38Å; P299-M307 HydrophobicContact CG-SD 3.74Å; P299-Y314 HydrophobicContact CG-CE2 4.4Å; P299-V320 HydrophobicContact CG-CG1 4.27Å; P299-V320 HydrophobicContact CG-CG2 4.26Å; P299-F322 HydrophobicContact CB-CZ 4.39Å; P299-W350 HydrophobicContact CG-CZ2 3.77Å
300	E	90.2	Very high	92.9	Very high	170 Å²	170	57.8 Å²	57.8	79%	0.794	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-87.1	135.4	172.3	-67.1	-175	175.8	0	0	110.2	P302	E300-P302 VanDerWaalsContact O-CD 3.3Å; E300-P302 WeakPolarHBondContact O-CD 3.37Å
301	A	89.6	Confident	92.7	Very high	55 Å²	55	59.6 Å²	59.6	46%	0.455	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-73.5	121.7	175.1	0	0	0	0	0	110.1	M307	A301-M307 HydrophobicContact CB-CB 4.11Å
302	P	91	Very high	92.6	Very high	21 Å²	21	63.5 Å²	63.5	14%	0.136	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-58.3	158.2	173.8	-23.9	33.7	0	0	0	112.3	E300 N304 A305 P354 P355	E300-P302 VanDerWaalsContact O-CD 3.3Å; E300-P302 WeakPolarHBondContact O-CD 3.37Å; P302-N304 PolarHBondContact O-N 2.83Å; P302-A305 HydrophobicContact CB-CB 4.02Å; P302-A305 HydrophobicContact CG-CB 4.25Å; P302-A305 VanDerWaalsContact O-CB 3.3Å; P302-A305 WeakPolarHBondContact O-CB 3.44Å; P302-A305 PolarHBondContact O-N 3.44Å; P302-P354 HydrophobicContact CG-CB 3.72Å; P302-P355 WeakPolarHBondContact CG-O 3.48Å
303	P	92.8	Very high	92.7	Very high	95 Å²	95	66.7 Å²	66.7	62%	0.617	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	136.1	174	-25	34.3	0	0	0	111.9	A305	P303-A305 PolarHBondContact O-N 2.02Å; P303-A305 VanDerWaalsContact O-N 3.08Å
304	N	92.4	Very high	92.9	Very high	61 Å²	61	66 Å²	66	33%	0.326	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	6.5	-177.5	-41.4	-59.9	0	0	0	115	P302 Q325 F328 C357	P302-N304 PolarHBondContact O-N 2.83Å; N304-Q325 WeakPolarHBondContact O-CG 3.37Å; N304-Q325 PolarHBondContact O-N 2.82Å; N304-F328 HydrophobicContact CB-CD1 3.84Å; N304-F328 HydrophobicContact CB-CD2 4.04Å; N304-F328 HydrophobicContact CB-CE1 3.83Å; N304-F328 HydrophobicContact CB-CE2 4.03Å; N304-F328 HydrophobicContact CB-CG 3.95Å; N304-F328 HydrophobicContact CB-CZ 3.93Å; N304-F328 VanDerWaalsContact CG-CZ 3.45Å; N304-F328 VanDerWaalsContact ND2-CE1 3.25Å; N304-F328 WeakPolarHBondContact ND2-CE1 3.35Å; N304-C357 HydrophobicContact CB-CB 4.16Å
305	A	93.5	Very high	93	Very high	12 Å²	12	67.3 Å²	67.3	10%	0.099	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	148.7	170.2	0	0	0	0	0	111.1	P302 P303 S323	P302-A305 HydrophobicContact CB-CB 4.02Å; P302-A305 HydrophobicContact CG-CB 4.25Å; P302-A305 VanDerWaalsContact O-CB 3.3Å; P302-A305 WeakPolarHBondContact O-CB 3.44Å; P302-A305 PolarHBondContact O-N 3.44Å; P303-A305 PolarHBondContact O-N 2.02Å; P303-A305 VanDerWaalsContact O-N 3.08Å; A305-S323 CarbonylContact C-O 3.53Å; A305-S323 WeakPolarHBondContact CA-O 3.16Å
306	V	93.9	Very high	93	Very high	61 Å²	61	62.5 Å²	62.5	37%	0.37	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.1	172.3	-177.9	0	0	0	0	107.2	V308 F322 S323 Q325	V306-V308 HydrophobicContact CG1-CG2 4.18Å; V306-F322 WeakPolarHBondContact O-CA 3.25Å; V306-S323 PolarHBondContact N-O 2.94Å; V306-S323 PolarHBondContact O-N 3.08Å; V306-S323 PolarHBondContact O-OG 3.04Å; V306-Q325 HydrophobicContact CG2-CG 3.85Å
307	M	94.6	Very high	92.9	Very high	15 Å²	15	66.5 Å²	66.5	7%	0.074	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.2	-179.5	-176	-177	76.6	0	0	110.1	P299 A301 I310 V320 V321 F322	P299-M307 HydrophobicContact CB-SD 4.11Å; P299-M307 HydrophobicContact CG-CE 4.38Å; P299-M307 HydrophobicContact CG-SD 3.74Å; A301-M307 HydrophobicContact CB-CB 4.11Å; M307-I310 HydrophobicContact CE-CG1 4.32Å; M307-I310 WeakPolarHBondContact O-CG1 3.39Å; M307-V320 HydrophobicContact CG-CB 4.13Å; M307-V320 HydrophobicContact CG-CG1 4.44Å; M307-V320 HydrophobicContact SD-CB 4.5Å; M307-V320 HydrophobicContact SD-CG1 4.46Å; M307-V321 WeakPolarHBondContact CA-O 3.38Å; M307-F322 HydrophobicContact CB-CD1 4.07Å; M307-F322 HydrophobicContact CB-CE1 3.86Å; M307-F322 HydrophobicContact CG-CD1 4.22Å; M307-F322 HydrophobicContact CG-CE1 3.75Å; M307-F322 HydrophobicContact CG-CE2 4.5Å; M307-F322 HydrophobicContact CG-CZ 3.9Å; M307-F322 HydrophobicContact SD-CE1 3.76Å; M307-F322 HydrophobicContact SD-CZ 3.64Å
308	V	94.3	Very high	92.8	Very high	81 Å²	81	64.1 Å²	64.1	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	138.9	-179.2	-177.1	0	0	0	0	110.4	V306 V321	V306-V308 HydrophobicContact CG1-CG2 4.18Å; V308-V321 PolarHBondContact N-O 2.62Å; V308-V321 PolarHBondContact O-N 3.32Å
309	P	94.5	Very high	92.9	Very high	45 Å²	45	64.3 Å²	64.3	29%	0.292	35%	0.354	S	S	.	.	S	Bend	cis	-71.6	161.4	-9.2	31.9	-35	0	0	0	111.8	Q311 Y314 H319	P309-Q311 HydrophobicContact CB-CG 4.24Å; P309-Q311 HydrophobicContact CG-CG 4.26Å; P309-Q311 VanDerWaalsContact CG-NE2 3.34Å; P309-Y314 PolarHBondContact O-OH 2.87Å; P309-H319 WeakPolarHBondContact CD-O 3.03Å
310	I	92.4	Very high	93.2	Very high	144 Å²	144	63.6 Å²	63.6	74%	0.738	35%	0.35	S	S	*	.			trans	-101.7	114.9	169.3	-58.7	176	0	0	0	107.3	M307 Y314	M307-I310 HydrophobicContact CE-CG1 4.32Å; M307-I310 WeakPolarHBondContact O-CG1 3.39Å; I310-Y314 WeakPolarHBondContact CA-OH 3.34Å
311	Q	92.5	Very high	93.5	Very high	81 Å²	81	56.4 Å²	56.4	38%	0.379	32%	0.317	S	S	.	.			trans	-126.4	154.7	178.9	-50.7	-172.3	34.2	0	0	109.9	P309 E313 Y314	P309-Q311 HydrophobicContact CB-CG 4.24Å; P309-Q311 HydrophobicContact CG-CG 4.26Å; P309-Q311 VanDerWaalsContact CG-NE2 3.34Å; Q311-E313 VanDerWaalsContact C-N 3.31Å; Q311-E313 WeakPolarHBondContact CB-O 3.31Å; Q311-E313 PolarHBondContact OE1-O 2.78Å; Q311-Y314 HydrophobicContact CB-CD1 4.38Å; Q311-Y314 HydrophobicContact CB-CE1 3.85Å; Q311-Y314 HydrophobicContact CB-CE2 4.08Å; Q311-Y314 HydrophobicContact CG-CE1 3.84Å; Q311-Y314 PolarHBondContact N-OH 3.38Å; Q311-Y314 WeakPolarHBondContact O-CE2 3.41Å
312	S	92.3	Very high	93.7	Very high	107 Å²	107	53.8 Å²	53.8	75%	0.748	30%	0.296	S	S	*	.	S	Bend	trans	-75	-23	174.4	52.9	0	0	0	0	112.8	V298	V298-S312 VanDerWaalsContact CG2-O 3.3Å; V298-S312 WeakPolarHBondContact CG2-O 3.34Å
313	E	93.4	Very high	93.9	Very high	117 Å²	117	54.3 Å²	54.3	55%	0.547	30%	0.299	S	S	.	.			trans	-144	145.6	-179.2	-60.1	-173.6	170	0	0	109.4	Q311	Q311-E313 VanDerWaalsContact C-N 3.31Å; Q311-E313 WeakPolarHBondContact CB-O 3.31Å; Q311-E313 PolarHBondContact OE1-O 2.78Å
314	Y	94.1	Very high	94	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.1	174.4	-62.1	-92.3	0	0	0	109.1	Q295 C296 V298 P299 P309 I310 Q311 D318 V320 W350	Q295-Y314 CarbonylContact C-O 3.58Å; Q295-Y314 WeakPolarHBondContact CA-O 3.23Å; Q295-Y314 WeakPolarHBondContact CG-O 3.34Å; C296-Y314 PolarHBondContact N-O 3.38Å; V298-Y314 HydrophobicContact CG1-CE2 4.34Å; P299-Y314 HydrophobicContact CG-CE2 4.4Å; P309-Y314 PolarHBondContact O-OH 2.87Å; I310-Y314 WeakPolarHBondContact CA-OH 3.34Å; Q311-Y314 HydrophobicContact CB-CD1 4.38Å; Q311-Y314 HydrophobicContact CB-CE1 3.85Å; Q311-Y314 HydrophobicContact CB-CE2 4.08Å; Q311-Y314 HydrophobicContact CG-CE1 3.84Å; Q311-Y314 PolarHBondContact N-OH 3.38Å; Q311-Y314 WeakPolarHBondContact O-CE2 3.41Å; Y314-D318 HydrophobicContact CD1-CB 4.12Å; Y314-V320 HydrophobicContact CD1-CG1 4.03Å; Y314-V320 HydrophobicContact CE1-CG1 3.34Å; Y314-W350 AromaticContact CD1-CH2 3.82Å; Y314-W350 HydrophobicContact CD1-CH2 3.82Å; Y314-W350 HydrophobicContact CD1-CZ2 4.17Å; Y314-W350 HydrophobicContact CD2-CZ2 4.08Å; Y314-W350 HydrophobicContact CE1-CH2 4.47Å; Y314-W350 AromaticContact CG-CH2 3.85Å; Y314-W350 HydrophobicContact CG-CH2 3.85Å; Y314-W350 AromaticContact CG-CZ2 3.74Å; Y314-W350 HydrophobicContact CG-CZ2 3.74Å
315	T	93.7	Very high	94	Very high	48 Å²	48	52.2 Å²	52.2	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	166.5	-178.3	62.5	0	0	0	0	111.1	S294 R317 D318 C344	S294-T315 CarbonylContact O-C 3.48Å; S294-T315 VanDerWaalsContact O-CA 3.31Å; S294-T315 WeakPolarHBondContact O-CA 3.41Å; T315-R317 PolarHBondContact O-N 2.78Å; T315-D318 PolarHBondContact N-OD2 2.9Å; T315-D318 WeakPolarHBondContact O-CB 3.37Å; T315-D318 VanDerWaalsContact O-CG 3.28Å; T315-D318 PolarHBondContact O-N 3Å; T315-D318 PolarHBondContact OG1-OD2 2.69Å; T315-D318 VanDerWaalsContact OG1-OD2 3.12Å; T315-C344 WeakPolarHBondContact O-CB 3.27Å; T315-C344 PolarHBondContact O-SG 2.03Å
316	F	93.8	Very high	93.8	Very high	14 Å²	14	56.7 Å²	56.7	6%	0.061	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.7	132.3	178.4	175.6	-124.4	0	0	0	113.1	A215 G216 F217 S294 D318 C344 Q345 A346	A215-F316 WeakPolarHBondContact O-CE1 3.47Å; A215-F316 WeakPolarHBondContact O-CZ 3.34Å; G216-F316 VanDerWaalsContact C-CD1 3.47Å; F217-F316 AromaticContact CD1-CD1 3.91Å; F217-F316 HydrophobicContact CD1-CD1 3.91Å; F217-F316 HydrophobicContact CD2-CD1 4.03Å; F217-F316 AromaticContact CD2-CE1 3.88Å; F217-F316 HydrophobicContact CD2-CE1 3.88Å; F217-F316 AromaticContact CE1-CD1 3.72Å; F217-F316 HydrophobicContact CE1-CD1 3.72Å; F217-F316 HydrophobicContact CE1-CE1 4.44Å; F217-F316 AromaticContact CE2-CD1 3.84Å; F217-F316 HydrophobicContact CE2-CD1 3.84Å; F217-F316 AromaticContact CE2-CE1 3.72Å; F217-F316 HydrophobicContact CE2-CE1 3.72Å; F217-F316 HydrophobicContact CG-CD1 4.04Å; F217-F316 HydrophobicContact CG-CE1 4.29Å; F217-F316 AromaticContact CZ-CD1 3.66Å; F217-F316 HydrophobicContact CZ-CD1 3.66Å; F217-F316 HydrophobicContact CZ-CE1 4.01Å; S294-F316 PolarHBondContact O-N 3.4Å; F316-D318 VanDerWaalsContact C-N 3.28Å; F316-D318 PolarHBondContact O-N 2.78Å; F316-C344 WeakPolarHBondContact CD2-O 3.45Å; F316-Q345 VanDerWaalsContact CD2-C 3.43Å; F316-A346 HydrophobicContact CD2-CB 4.04Å; F316-A346 VanDerWaalsContact CD2-N 3.3Å; F316-A346 HydrophobicContact CE2-CB 3.84Å; F316-A346 HydrophobicContact CZ-CB 4.26Å
317	R	91.9	Very high	93.5	Very high	87 Å²	87	53.9 Å²	53.9	33%	0.328	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-2.4	-172.3	-62.9	-61.6	-154.9	175.9	-4.7	116.3	E214 F217 T315 E343 C344	E214-R317 VanDerWaalsContact CD-NH2 3.28Å; E214-R317 IonicContact OE1-CZ 3.82Å; E214-R317 IonicContact OE1-NE 3.74Å; E214-R317 IonicContact OE1-NH2 3.86Å; E214-R317 PolarHBondContact OE1-NH2 3.1Å; E214-R317 IonicContact OE2-CZ 3.64Å; E214-R317 IonicContact OE2-NE 2.83Å; E214-R317 PolarHBondContact OE2-NE 3.02Å; E214-R317 IonicContact OE2-NH2 3.35Å; E214-R317 PolarHBondContact OE2-NH2 3.34Å; F217-R317 HydrophobicContact CE2-CG 4.1Å; F217-R317 HydrophobicContact CZ-CB 4.19Å; F217-R317 HydrophobicContact CZ-CG 3.82Å; T315-R317 PolarHBondContact O-N 2.78Å; R317-E343 WeakPolarHBondContact CD-OE1 3.47Å; R317-E343 IonicContact CZ-OE1 2.72Å; R317-E343 IonicContact NE-OE1 3.76Å; R317-E343 IonicContact NH1-OE1 3.57Å; R317-E343 PolarHBondContact NH1-OE1 2.95Å; R317-E343 IonicContact NH1-OE2 3.13Å; R317-C344 PolarHBondContact N-O 2.82Å
318	D	94.3	Very high	93.4	Very high	35 Å²	35	55 Å²	55	19%	0.187	30%	0.298	C	S	.	.			trans	-70.2	148.7	165.9	-66.4	-29	0	0	0	110	Y314 T315 F316 E343 C344	Y314-D318 HydrophobicContact CD1-CB 4.12Å; T315-D318 PolarHBondContact N-OD2 2.9Å; T315-D318 WeakPolarHBondContact O-CB 3.37Å; T315-D318 VanDerWaalsContact O-CG 3.28Å; T315-D318 PolarHBondContact O-N 3Å; T315-D318 PolarHBondContact OG1-OD2 2.69Å; T315-D318 VanDerWaalsContact OG1-OD2 3.12Å; F316-D318 VanDerWaalsContact C-N 3.28Å; F316-D318 PolarHBondContact O-N 2.78Å; D318-E343 WeakPolarHBondContact O-CA 3.41Å; D318-C344 PolarHBondContact O-N 2.87Å
319	H	95.8	Very high	93.2	Very high	87 Å²	87	54.1 Å²	54.1	40%	0.403	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.6	178.9	62.4	-80.9	0	0	0	110.3	P309 Q341 L342	P309-H319 WeakPolarHBondContact CD-O 3.03Å; H319-Q341 HydrophobicContact CB-CG 4.03Å; H319-L342 CarbonylContact C-O 3.55Å; H319-L342 WeakPolarHBondContact CA-O 3.17Å; H319-L342 WeakPolarHBondContact CB-O 3.01Å
320	V	96.3	Very high	93.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.1	170.1	-66.9	0	0	0	0	108.7	P299 M307 Y314 F322 Q341 L342 W350	P299-V320 HydrophobicContact CG-CG1 4.27Å; P299-V320 HydrophobicContact CG-CG2 4.26Å; M307-V320 HydrophobicContact CG-CB 4.13Å; M307-V320 HydrophobicContact CG-CG1 4.44Å; M307-V320 HydrophobicContact SD-CB 4.5Å; M307-V320 HydrophobicContact SD-CG1 4.46Å; Y314-V320 HydrophobicContact CD1-CG1 4.03Å; Y314-V320 HydrophobicContact CE1-CG1 3.34Å; V320-F322 HydrophobicContact CB-CE2 4.48Å; V320-F322 HydrophobicContact CG2-CD2 4.37Å; V320-F322 HydrophobicContact CG2-CE2 3.62Å; V320-F322 HydrophobicContact CG2-CZ 4.24Å; V320-Q341 CarbonylContact O-C 3.57Å; V320-Q341 WeakPolarHBondContact O-CA 3.5Å; V320-L342 HydrophobicContact CG2-CB 3.95Å; V320-L342 PolarHBondContact N-O 2.81Å; V320-L342 PolarHBondContact O-N 2.89Å; V320-W350 HydrophobicContact CB-CH2 4.48Å; V320-W350 HydrophobicContact CG1-CH2 3.85Å; V320-W350 HydrophobicContact CG1-CZ3 4.39Å; V320-W350 HydrophobicContact CG2-CE3 4.28Å; V320-W350 HydrophobicContact CG2-CH2 3.97Å; V320-W350 HydrophobicContact CG2-CZ3 3.8Å
321	V	95.9	Very high	93.1	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.115	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121	177.5	-175.3	0	0	0	0	108.6	M307 V308 R339 L340 Q341	M307-V321 WeakPolarHBondContact CA-O 3.38Å; V308-V321 PolarHBondContact N-O 2.62Å; V308-V321 PolarHBondContact O-N 3.32Å; V321-R339 HydrophobicContact CG1-CB 4.18Å; V321-L340 CarbonylContact C-O 3.58Å; V321-L340 WeakPolarHBondContact CA-O 3.33Å; V321-Q341 HydrophobicContact CG2-CB 4.34Å; V321-Q341 HydrophobicContact CG2-CG 4.2Å
322	F	95.4	Very high	92.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.9	171.2	-66.2	-88	0	0	0	110.2	P299 V306 M307 V320 L330 R339 L340 L342 P354 P355	P299-F322 HydrophobicContact CB-CZ 4.39Å; V306-F322 WeakPolarHBondContact O-CA 3.25Å; M307-F322 HydrophobicContact CB-CD1 4.07Å; M307-F322 HydrophobicContact CB-CE1 3.86Å; M307-F322 HydrophobicContact CG-CD1 4.22Å; M307-F322 HydrophobicContact CG-CE1 3.75Å; M307-F322 HydrophobicContact CG-CE2 4.5Å; M307-F322 HydrophobicContact CG-CZ 3.9Å; M307-F322 HydrophobicContact SD-CE1 3.76Å; M307-F322 HydrophobicContact SD-CZ 3.64Å; V320-F322 HydrophobicContact CB-CE2 4.48Å; V320-F322 HydrophobicContact CG2-CD2 4.37Å; V320-F322 HydrophobicContact CG2-CE2 3.62Å; V320-F322 HydrophobicContact CG2-CZ 4.24Å; F322-L330 HydrophobicContact CB-CD1 4.18Å; F322-L330 WeakPolarHBondContact O-CD1 3.41Å; F322-R339 VanDerWaalsContact O-CA 3.29Å; F322-R339 WeakPolarHBondContact O-CA 3.3Å; F322-L340 HydrophobicContact CB-CB 4.42Å; F322-L340 PolarHBondContact N-O 3.42Å; F322-L340 PolarHBondContact O-N 2.73Å; F322-L342 HydrophobicContact CD2-CD1 4.32Å; F322-L342 HydrophobicContact CD2-CG 4.29Å; F322-L342 HydrophobicContact CE2-CD1 3.71Å; F322-L342 HydrophobicContact CE2-CG 4.05Å; F322-P354 HydrophobicContact CE1-CB 4.36Å; F322-P354 HydrophobicContact CZ-CB 4.18Å; F322-P354 HydrophobicContact CZ-CG 4.38Å; F322-P355 HydrophobicContact CB-CG 3.61Å; F322-P355 HydrophobicContact CD1-CG 4.37Å; F322-P355 HydrophobicContact CG-CG 3.94Å
323	S	94.6	Very high	92.2	Very high	31 Å²	31	47.3 Å²	47.3	22%	0.217	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163	169.4	52.3	0	0	0	0	108	A305 V306	A305-S323 CarbonylContact C-O 3.53Å; A305-S323 WeakPolarHBondContact CA-O 3.16Å; V306-S323 PolarHBondContact N-O 2.94Å; V306-S323 PolarHBondContact O-N 3.08Å; V306-S323 PolarHBondContact O-OG 3.04Å
324	C	93.8	Very high	91.4	Very high	24 Å²	24	45.7 Å²	45.7	16%	0.162	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	154.6	176.5	-61.3	0	0	0	0	111.7	F328 I329 L330 C357	C324-F328 HydrophobicContact CB-CB 3.71Å; C324-I329 VanDerWaalsContact SG-C 3.55Å; C324-L330 WeakPolarHBondContact SG-CA 3.37Å; C324-L330 WeakPolarHBondContact SG-CB 3.42Å; C324-L330 PolarHBondContact SG-N 3.47Å; C324-L330 VanDerWaalsContact SG-N 3.42Å; C324-C357 VanDerWaalsContact CA-SG 3.55Å; C324-C357 HydrophobicContact CB-CB 3.88Å; C324-C357 WeakPolarHBondContact CB-SG 3.44Å; C324-C357 VanDerWaalsContact SG-CA 3.53Å; C324-C357 WeakPolarHBondContact SG-CB 3.24Å; C324-C357 CovalentContact SG-SG 2.03Å; C324-C357 PolarHBondContact SG-SG 3.2Å
325	Q	92.3	Very high	90.8	Very high	89 Å²	89	47.5 Å²	47.5	42%	0.416	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-61.6	154.9	170.4	-71	177.9	-15.4	0	0	110.9	N304 V306 G327 F328	N304-Q325 WeakPolarHBondContact O-CG 3.37Å; N304-Q325 PolarHBondContact O-N 2.82Å; V306-Q325 HydrophobicContact CG2-CG 3.85Å; Q325-G327 PolarHBondContact O-N 3Å; Q325-F328 HydrophobicContact CB-CD2 4.35Å; Q325-F328 WeakPolarHBondContact O-CB 3.49Å; Q325-F328 PolarHBondContact O-N 2.88Å
326	P	89.3	Confident	90.5	Very high	105 Å²	105	50.4 Å²	50.4	68%	0.682	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	132	177.5	-26.7	34.8	0	0	0	112.5	P408	P326-P408 HydrophobicContact CB-CB 4.19Å
327	G	88.4	Confident	90.1	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.021	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	3.9	-175.2	0	0	0	0	0	115.2	Q325 L360 F384	Q325-G327 PolarHBondContact O-N 3Å; G327-L360 VanDerWaalsContact O-CB 3.3Å; G327-L360 WeakPolarHBondContact O-CB 3.33Å; G327-L360 PolarHBondContact O-N 2.86Å; G327-F384 WeakPolarHBondContact O-CB 3.24Å
328	F	91.9	Very high	89.9	Confident	39 Å²	39	55.5 Å²	55.5	17%	0.171	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.7	172.8	-66.9	-99.6	0	0	0	110.9	N304 C324 Q325 C357 D358 M359	N304-F328 HydrophobicContact CB-CD1 3.84Å; N304-F328 HydrophobicContact CB-CD2 4.04Å; N304-F328 HydrophobicContact CB-CE1 3.83Å; N304-F328 HydrophobicContact CB-CE2 4.03Å; N304-F328 HydrophobicContact CB-CG 3.95Å; N304-F328 HydrophobicContact CB-CZ 3.93Å; N304-F328 VanDerWaalsContact CG-CZ 3.45Å; N304-F328 VanDerWaalsContact ND2-CE1 3.25Å; N304-F328 WeakPolarHBondContact ND2-CE1 3.35Å; C324-F328 HydrophobicContact CB-CB 3.71Å; Q325-F328 HydrophobicContact CB-CD2 4.35Å; Q325-F328 WeakPolarHBondContact O-CB 3.49Å; Q325-F328 PolarHBondContact O-N 2.88Å; F328-C357 HydrophobicContact CB-CB 4.17Å; F328-C357 HydrophobicContact CD1-CB 4.37Å; F328-D358 CarbonylContact C-O 3.32Å; F328-D358 WeakPolarHBondContact CA-O 3.3Å; F328-D358 WeakPolarHBondContact CB-O 3.01Å; F328-M359 HydrophobicContact CD1-CG 3.96Å; F328-M359 HydrophobicContact CE1-CB 4.37Å; F328-M359 HydrophobicContact CE1-CG 3.38Å; F328-M359 HydrophobicContact CZ-CG 3.77Å
329	I	91	Very high	89.9	Confident	62 Å²	62	61.5 Å²	61.5	32%	0.318	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.9	176.7	57.6	172	0	0	0	110.1	C324 V331 T336 C357 D358 L360	C324-I329 VanDerWaalsContact SG-C 3.55Å; I329-V331 HydrophobicContact CD1-CG2 4.32Å; I329-V331 HydrophobicContact CG1-CG2 4.15Å; I329-T336 HydrophobicContact CD1-CG2 4.15Å; I329-C357 WeakPolarHBondContact O-CA 3.39Å; I329-D358 HydrophobicContact CG1-CB 4.17Å; I329-D358 PolarHBondContact N-O 3.38Å; I329-D358 PolarHBondContact O-N 3.2Å; I329-L360 HydrophobicContact CG2-CB 4.07Å; I329-L360 HydrophobicContact CG2-CD1 3.71Å; I329-L360 HydrophobicContact CG2-CG 3.89Å
330	L	92.9	Very high	89.8	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121	178.1	-171.7	158.8	0	0	0	108.9	F322 C324 Q332 T336 S337 L340 P355	F322-L330 HydrophobicContact CB-CD1 4.18Å; F322-L330 WeakPolarHBondContact O-CD1 3.41Å; C324-L330 WeakPolarHBondContact SG-CA 3.37Å; C324-L330 WeakPolarHBondContact SG-CB 3.42Å; C324-L330 PolarHBondContact SG-N 3.47Å; C324-L330 VanDerWaalsContact SG-N 3.42Å; L330-Q332 HydrophobicContact CD2-CB 4.47Å; L330-T336 WeakPolarHBondContact O-CA 3.29Å; L330-S337 VanDerWaalsContact CB-O 3.3Å; L330-S337 WeakPolarHBondContact CB-O 3.39Å; L330-S337 PolarHBondContact O-N 2.91Å; L330-L340 HydrophobicContact CD1-CB 4.1Å; L330-L340 HydrophobicContact CD2-CB 4.1Å; L330-P355 HydrophobicContact CD1-CB 4.25Å; L330-P355 HydrophobicContact CD1-CG 3.82Å; L330-P355 HydrophobicContact CD2-CB 3.63Å; L330-P355 HydrophobicContact CD2-CG 4.13Å; L330-P355 HydrophobicContact CG-CB 3.73Å; L330-P355 HydrophobicContact CG-CG 3.85Å
331	V	90.9	Very high	89.7	Confident	33 Å²	33	63.9 Å²	63.9	20%	0.2	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.8	-178.8	-173.5	0	0	0	0	109.4	I329 G335 T336 H356 D358	I329-V331 HydrophobicContact CD1-CG2 4.32Å; I329-V331 HydrophobicContact CG1-CG2 4.15Å; V331-G335 WeakPolarHBondContact CA-O 3.3Å; V331-T336 HydrophobicContact CG2-CG2 4.25Å; V331-H356 PolarHBondContact N-O 3.39Å; V331-H356 PolarHBondContact O-N 3.19Å; V331-D358 HydrophobicContact CG2-CB 4.13Å; V331-D358 WeakPolarHBondContact CG2-OD2 3.43Å
332	Q	87.7	Confident	89.7	Confident	55 Å²	55	63.1 Å²	63.1	26%	0.257	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	129.9	176.3	-173.7	179.6	14.8	0	0	110.7	L330 G334 G335 L340	L330-Q332 HydrophobicContact CD2-CB 4.47Å; Q332-G334 PolarHBondContact O-N 3.17Å; Q332-G335 PolarHBondContact N-O 2.77Å; Q332-G335 PolarHBondContact O-N 3.08Å; Q332-L340 VanDerWaalsContact CD-CD2 3.43Å
333	D	79.7	Confident	89.7	Confident	143 Å²	143	65.8 Å²	65.8	77%	0.765	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	35.3	174.8	-60.2	-43.7	0	0	0	114.3	G335	D333-G335 VanDerWaalsContact C-N 3.33Å
334	G	75.3	Confident	89.8	Confident	83 Å²	83	64.3 Å²	64.3	86%	0.856	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	0.8	179.8	0	0	0	0	0	115.4	Q332	Q332-G334 PolarHBondContact O-N 3.17Å
335	G	82.1	Confident	89.8	Confident	39 Å²	39	67 Å²	67	40%	0.402	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	160.2	171.8	0	0	0	0	0	112.9	V331 Q332 D333	V331-G335 WeakPolarHBondContact CA-O 3.3Å; Q332-G335 PolarHBondContact N-O 2.77Å; Q332-G335 PolarHBondContact O-N 3.08Å; D333-G335 VanDerWaalsContact C-N 3.33Å
336	T	86.6	Confident	89.8	Confident	109 Å²	109	64.9 Å²	64.9	67%	0.669	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.7	173.7	48.8	0	0	0	0	110.2	I329 L330 V331	I329-T336 HydrophobicContact CD1-CG2 4.15Å; L330-T336 WeakPolarHBondContact O-CA 3.29Å; V331-T336 HydrophobicContact CG2-CG2 4.25Å
337	S	86.9	Confident	89.9	Confident	63 Å²	63	65.4 Å²	65.4	44%	0.441	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.6	176.3	-176.6	0	0	0	0	109.5	L330 R339	L330-S337 VanDerWaalsContact CB-O 3.3Å; L330-S337 WeakPolarHBondContact CB-O 3.39Å; L330-S337 PolarHBondContact O-N 2.91Å; S337-R339 PolarHBondContact OG-N 3.06Å; S337-R339 PolarHBondContact OG-O 3.32Å
338	D	87.4	Confident	90.1	Very high	145 Å²	145	66 Å²	66	78%	0.775	38%	0.377	S	S	*	.	S	Bend	trans	-83.9	-30.5	172.2	-65.5	-25.7	0	0	0	111.5
339	R	93.2	Very high	90.2	Very high	160 Å²	160	66.1 Å²	66.1	60%	0.604	38%	0.383	S	S	*	.			trans	-146.3	148.4	-175	-56.2	-178.6	76.2	152.5	0.3	110.9	V321 F322 S337	V321-R339 HydrophobicContact CG1-CB 4.18Å; F322-R339 VanDerWaalsContact O-CA 3.29Å; F322-R339 WeakPolarHBondContact O-CA 3.3Å; S337-R339 PolarHBondContact OG-N 3.06Å; S337-R339 PolarHBondContact OG-O 3.32Å
340	L	93.6	Very high	90.5	Very high	24 Å²	24	64.9 Å²	64.9	13%	0.126	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128	170.4	172	61.7	0	0	0	109.7	V321 F322 L330 Q332 L342 P355	V321-L340 CarbonylContact C-O 3.58Å; V321-L340 WeakPolarHBondContact CA-O 3.33Å; F322-L340 HydrophobicContact CB-CB 4.42Å; F322-L340 PolarHBondContact N-O 3.42Å; F322-L340 PolarHBondContact O-N 2.73Å; L330-L340 HydrophobicContact CD1-CB 4.1Å; L330-L340 HydrophobicContact CD2-CB 4.1Å; Q332-L340 VanDerWaalsContact CD-CD2 3.43Å; L340-L342 HydrophobicContact CD1-CD2 4.17Å; L340-L342 HydrophobicContact CD2-CD2 3.93Å; L340-L342 HydrophobicContact CD2-CG 4.39Å; L340-L342 HydrophobicContact CG-CD2 4Å; L340-L342 HydrophobicContact CG-CG 4.44Å; L340-P355 HydrophobicContact CB-CG 4.47Å; L340-P355 HydrophobicContact CD2-CB 3.88Å; L340-P355 HydrophobicContact CD2-CG 3.88Å
341	Q	95.5	Very high	90.6	Very high	113 Å²	113	67.5 Å²	67.5	53%	0.528	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.5	172.1	-175.9	174.7	-46.4	0	0	110.2	H319 V320 V321	H319-Q341 HydrophobicContact CB-CG 4.03Å; V320-Q341 CarbonylContact O-C 3.57Å; V320-Q341 WeakPolarHBondContact O-CA 3.5Å; V321-Q341 HydrophobicContact CG2-CB 4.34Å; V321-Q341 HydrophobicContact CG2-CG 4.2Å
342	L	95.1	Very high	90.6	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.016	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.7	167.6	-56.1	-173.3	0	0	0	109.2	H319 V320 F322 L340 W350	H319-L342 CarbonylContact C-O 3.55Å; H319-L342 WeakPolarHBondContact CA-O 3.17Å; H319-L342 WeakPolarHBondContact CB-O 3.01Å; V320-L342 HydrophobicContact CG2-CB 3.95Å; V320-L342 PolarHBondContact N-O 2.81Å; V320-L342 PolarHBondContact O-N 2.89Å; F322-L342 HydrophobicContact CD2-CD1 4.32Å; F322-L342 HydrophobicContact CD2-CG 4.29Å; F322-L342 HydrophobicContact CE2-CD1 3.71Å; F322-L342 HydrophobicContact CE2-CG 4.05Å; L340-L342 HydrophobicContact CD1-CD2 4.17Å; L340-L342 HydrophobicContact CD2-CD2 3.93Å; L340-L342 HydrophobicContact CD2-CG 4.39Å; L340-L342 HydrophobicContact CG-CD2 4Å; L340-L342 HydrophobicContact CG-CG 4.44Å; L342-W350 HydrophobicContact CB-CE3 3.83Å; L342-W350 HydrophobicContact CB-CZ3 4.43Å; L342-W350 WeakPolarHBondContact O-CZ3 3.37Å
343	E	96.1	Very high	90.7	Very high	56 Å²	56	73.8 Å²	73.8	26%	0.262	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.2	179.5	-174.7	177.3	-180	0	0	110.4	R317 D318 Q345 W350 S351	R317-E343 WeakPolarHBondContact CD-OE1 3.47Å; R317-E343 IonicContact CZ-OE1 2.72Å; R317-E343 IonicContact NE-OE1 3.76Å; R317-E343 IonicContact NH1-OE1 3.57Å; R317-E343 PolarHBondContact NH1-OE1 2.95Å; R317-E343 IonicContact NH1-OE2 3.13Å; D318-E343 WeakPolarHBondContact O-CA 3.41Å; E343-Q345 PolarHBondContact O-N 2.85Å; E343-W350 VanDerWaalsContact C-CE3 3.42Å; E343-S351 PolarHBondContact N-OG 3.13Å; E343-S351 PolarHBondContact O-N 2.94Å
344	C	96.1	Very high	91.3	Very high	0 Å²	0	70 Å²	70	0%	0	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-77.1	117.5	174	179.7	0	0	0	0	110	C296 T315 F316 R317 D318 W350	C296-C344 HydrophobicContact CB-CB 3.87Å; C296-C344 WeakPolarHBondContact CB-SG 3.08Å; C296-C344 WeakPolarHBondContact SG-CA 3.29Å; C296-C344 WeakPolarHBondContact SG-CB 3.43Å; C296-C344 CovalentContact SG-SG 2.02Å; C296-C344 PolarHBondContact SG-SG 2.78Å; T315-C344 WeakPolarHBondContact O-CB 3.27Å; T315-C344 PolarHBondContact O-SG 2.03Å; F316-C344 WeakPolarHBondContact CD2-O 3.45Å; R317-C344 PolarHBondContact N-O 2.82Å; D318-C344 PolarHBondContact O-N 2.87Å; C344-W350 HydrophobicContact CB-CE3 4.3Å; C344-W350 HydrophobicContact CB-CH2 4.19Å; C344-W350 HydrophobicContact CB-CZ3 4.02Å
345	Q	94.6	Very high	92.1	Very high	81 Å²	81	66.4 Å²	66.4	38%	0.379	37%	0.365	S	S	.	.			trans	-87.8	167	-173.2	-58.7	-173.7	-43	0	0	112.2	F316 E343 D347 G348 S349	F316-Q345 VanDerWaalsContact CD2-C 3.43Å; E343-Q345 PolarHBondContact O-N 2.85Å; Q345-D347 WeakPolarHBondContact CB-OD1 3.04Å; Q345-D347 PolarHBondContact O-N 2.97Å; Q345-G348 PolarHBondContact O-N 2.93Å; Q345-S349 VanDerWaalsContact CB-O 3.29Å; Q345-S349 WeakPolarHBondContact CB-O 3.4Å; Q345-S349 WeakPolarHBondContact CG-O 3.5Å; Q345-S349 PolarHBondContact N-O 3.42Å; Q345-S349 PolarHBondContact OE1-OG 2.81Å
346	A	91.4	Very high	92.5	Very high	45 Å²	45	69.4 Å²	69.4	37%	0.372	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25	-174.6	0	0	0	0	0	113.4	S294 F316 G348	S294-A346 VanDerWaalsContact CB-O 3.27Å; S294-A346 WeakPolarHBondContact CB-O 3.3Å; S294-A346 PolarHBondContact OG-O 3.41Å; F316-A346 HydrophobicContact CD2-CB 4.04Å; F316-A346 VanDerWaalsContact CD2-N 3.3Å; F316-A346 HydrophobicContact CE2-CB 3.84Å; F316-A346 HydrophobicContact CZ-CB 4.26Å; A346-G348 VanDerWaalsContact C-N 3.29Å
347	D	91.9	Very high	92.9	Very high	115 Å²	115	64.3 Å²	64.3	62%	0.615	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.2	176.5	68.6	-12.4	0	0	0	113.6	Q345 S349	Q345-D347 WeakPolarHBondContact CB-OD1 3.04Å; Q345-D347 PolarHBondContact O-N 2.97Å; D347-S349 VanDerWaalsContact CG-OG 3.27Å; D347-S349 WeakPolarHBondContact OD1-CB 3.18Å; D347-S349 PolarHBondContact OD1-N 3.32Å; D347-S349 PolarHBondContact OD1-OG 3.4Å; D347-S349 PolarHBondContact OD2-OG 2.86Å; D347-S349 VanDerWaalsContact OD2-OG 3.08Å
348	G	92.1	Very high	93.1	Very high	14 Å²	14	64.6 Å²	64.6	14%	0.144	33%	0.333	C	S	.	.	S	Bend	trans	80.9	13.4	-176.2	0	0	0	0	0	113.9	C296 P297 Q345 A346	C296-G348 WeakPolarHBondContact CA-O 3.5Å; C296-G348 PolarHBondContact SG-O 2.99Å; C296-G348 VanDerWaalsContact SG-O 3.38Å; P297-G348 WeakPolarHBondContact CD-O 3.25Å; Q345-G348 PolarHBondContact O-N 2.93Å; A346-G348 VanDerWaalsContact C-N 3.29Å
349	S	95.1	Very high	93.2	Very high	43 Å²	43	62.4 Å²	62.4	30%	0.301	32%	0.32	S	S	.	.			trans	-99.1	157.5	171.2	77.5	0	0	0	0	111.9	C296 Q345 D347	C296-S349 PolarHBondContact SG-O 3.26Å; C296-S349 VanDerWaalsContact SG-O 3.4Å; Q345-S349 VanDerWaalsContact CB-O 3.29Å; Q345-S349 WeakPolarHBondContact CB-O 3.4Å; Q345-S349 WeakPolarHBondContact CG-O 3.5Å; Q345-S349 PolarHBondContact N-O 3.42Å; Q345-S349 PolarHBondContact OE1-OG 2.81Å; D347-S349 VanDerWaalsContact CG-OG 3.27Å; D347-S349 WeakPolarHBondContact OD1-CB 3.18Å; D347-S349 PolarHBondContact OD1-N 3.32Å; D347-S349 PolarHBondContact OD1-OG 3.4Å; D347-S349 PolarHBondContact OD2-OG 2.86Å; D347-S349 VanDerWaalsContact OD2-OG 3.08Å
350	W	95.8	Very high	93.1	Very high	35 Å²	35	55.9 Å²	55.9	13%	0.133	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-83.2	144.3	171.8	-72.8	102	0	0	0	110.3	C296 P297 P299 Y314 V320 L342 E343 C344 G352	C296-W350 HydrophobicContact CB-CD2 4.36Å; C296-W350 HydrophobicContact CB-CZ2 3.99Å; P297-W350 PolarHBondContact O-NE1 3.14Å; P299-W350 HydrophobicContact CG-CZ2 3.77Å; Y314-W350 AromaticContact CD1-CH2 3.82Å; Y314-W350 HydrophobicContact CD1-CH2 3.82Å; Y314-W350 HydrophobicContact CD1-CZ2 4.17Å; Y314-W350 HydrophobicContact CD2-CZ2 4.08Å; Y314-W350 HydrophobicContact CE1-CH2 4.47Å; Y314-W350 AromaticContact CG-CH2 3.85Å; Y314-W350 HydrophobicContact CG-CH2 3.85Å; Y314-W350 AromaticContact CG-CZ2 3.74Å; Y314-W350 HydrophobicContact CG-CZ2 3.74Å; V320-W350 HydrophobicContact CB-CH2 4.48Å; V320-W350 HydrophobicContact CG1-CH2 3.85Å; V320-W350 HydrophobicContact CG1-CZ3 4.39Å; V320-W350 HydrophobicContact CG2-CE3 4.28Å; V320-W350 HydrophobicContact CG2-CH2 3.97Å; V320-W350 HydrophobicContact CG2-CZ3 3.8Å; L342-W350 HydrophobicContact CB-CE3 3.83Å; L342-W350 HydrophobicContact CB-CZ3 4.43Å; L342-W350 WeakPolarHBondContact O-CZ3 3.37Å; E343-W350 VanDerWaalsContact C-CE3 3.42Å; C344-W350 HydrophobicContact CB-CE3 4.3Å; C344-W350 HydrophobicContact CB-CH2 4.19Å; C344-W350 HydrophobicContact CB-CZ3 4.02Å; W350-G352 PolarHBondContact O-N 3.16Å
351	S	94.8	Very high	93	Very high	58 Å²	58	58.9 Å²	58.9	41%	0.406	31%	0.313	S	S	.	.	S	Bend	trans	-59.3	-11.6	179.6	66.3	0	0	0	0	115.3	E343	E343-S351 PolarHBondContact N-OG 3.13Å; E343-S351 PolarHBondContact O-N 2.94Å
352	G	91.8	Very high	92.8	Very high	29 Å²	29	54.3 Å²	54.3	30%	0.299	29%	0.293	S	S	.	.	S	Bend	trans	-166.3	-172.2	179.8	0	0	0	0	0	111.6	W350	W350-G352 PolarHBondContact O-N 3.16Å
353	R	90.6	Very high	92.6	Very high	191 Å²	191	55.4 Å²	55.4	72%	0.721	31%	0.305	S	S	*	.			trans	-102.7	151.1	177.6	-67.4	178.9	-73.7	-179.9	-0.5	110.2
354	P	90.9	Very high	92.3	Very high	63 Å²	63	60.2 Å²	60.2	41%	0.409	33%	0.331	S	S	.	.			trans	-54.9	143.8	172.9	-25.7	35	0	0	0	112	P302 F322	P302-P354 HydrophobicContact CG-CB 3.72Å; F322-P354 HydrophobicContact CE1-CB 4.36Å; F322-P354 HydrophobicContact CZ-CB 4.18Å; F322-P354 HydrophobicContact CZ-CG 4.38Å
355	P	92	Very high	92	Very high	9 Å²	9	61 Å²	61	6%	0.058	34%	0.336	C	S	.	.			trans	-81	176.2	-176.2	33.3	-30.7	0	0	0	112	P302 F322 L330 L340	P302-P355 WeakPolarHBondContact CG-O 3.48Å; F322-P355 HydrophobicContact CB-CG 3.61Å; F322-P355 HydrophobicContact CD1-CG 4.37Å; F322-P355 HydrophobicContact CG-CG 3.94Å; L330-P355 HydrophobicContact CD1-CB 4.25Å; L330-P355 HydrophobicContact CD1-CG 3.82Å; L330-P355 HydrophobicContact CD2-CB 3.63Å; L330-P355 HydrophobicContact CD2-CG 4.13Å; L330-P355 HydrophobicContact CG-CB 3.73Å; L330-P355 HydrophobicContact CG-CG 3.85Å; L340-P355 HydrophobicContact CB-CG 4.47Å; L340-P355 HydrophobicContact CD2-CB 3.88Å; L340-P355 HydrophobicContact CD2-CG 3.88Å
356	H	92	Very high	91.8	Very high	101 Å²	101	64.5 Å²	64.5	47%	0.468	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	147.3	168.2	-166	56.8	0	0	0	111	V331 D358	V331-H356 PolarHBondContact N-O 3.39Å; V331-H356 PolarHBondContact O-N 3.19Å; H356-D358 VanDerWaalsContact CD2-CG 3.49Å; H356-D358 IonicContact CD2-OD1 3.95Å; H356-D358 PolarHBondContact CD2-OD1 2.85Å; H356-D358 IonicContact CD2-OD2 3.75Å; H356-D358 IonicContact NE2-OD1 3.57Å; H356-D358 PolarHBondContact NE2-OD1 3.42Å; H356-D358 VanDerWaalsContact NE2-OD1 3.14Å
357	C	93.6	Very high	91.5	Very high	3 Å²	3	71 Å²	71	2%	0.02	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	103.4	174.4	-72.5	0	0	0	0	109.1	N304 C324 F328 I329	N304-C357 HydrophobicContact CB-CB 4.16Å; C324-C357 VanDerWaalsContact CA-SG 3.55Å; C324-C357 HydrophobicContact CB-CB 3.88Å; C324-C357 WeakPolarHBondContact CB-SG 3.44Å; C324-C357 VanDerWaalsContact SG-CA 3.53Å; C324-C357 WeakPolarHBondContact SG-CB 3.24Å; C324-C357 CovalentContact SG-SG 2.03Å; C324-C357 PolarHBondContact SG-SG 3.2Å; F328-C357 HydrophobicContact CB-CB 4.17Å; F328-C357 HydrophobicContact CD1-CB 4.37Å; I329-C357 WeakPolarHBondContact O-CA 3.39Å
358	D	91.6	Very high	91.1	Very high	68 Å²	68	66.2 Å²	66.2	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	146.9	177.1	-79.6	-41.2	0	0	0	110.7	F328 I329 V331 H356 L360	F328-D358 CarbonylContact C-O 3.32Å; F328-D358 WeakPolarHBondContact CA-O 3.3Å; F328-D358 WeakPolarHBondContact CB-O 3.01Å; I329-D358 HydrophobicContact CG1-CB 4.17Å; I329-D358 PolarHBondContact N-O 3.38Å; I329-D358 PolarHBondContact O-N 3.2Å; V331-D358 HydrophobicContact CG2-CB 4.13Å; V331-D358 WeakPolarHBondContact CG2-OD2 3.43Å; H356-D358 VanDerWaalsContact CD2-CG 3.49Å; H356-D358 IonicContact CD2-OD1 3.95Å; H356-D358 PolarHBondContact CD2-OD1 2.85Å; H356-D358 IonicContact CD2-OD2 3.75Å; H356-D358 IonicContact NE2-OD1 3.57Å; H356-D358 PolarHBondContact NE2-OD1 3.42Å; H356-D358 VanDerWaalsContact NE2-OD1 3.14Å; D358-L360 PolarHBondContact O-N 3.32Å
359	M	90.1	Very high	90.3	Very high	99 Å²	99	71.8 Å²	71.8	49%	0.488	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	134.8	172.3	-82.9	-176	-110.3	0	0	109.8	F328 L383	F328-M359 HydrophobicContact CD1-CG 3.96Å; F328-M359 HydrophobicContact CE1-CB 4.37Å; F328-M359 HydrophobicContact CE1-CG 3.38Å; F328-M359 HydrophobicContact CZ-CG 3.77Å; M359-L383 HydrophobicContact CB-CB 4.47Å
360	L	91.3	Very high	89.2	Confident	24 Å²	24	72 Å²	72	13%	0.126	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-68.6	141.6	179.8	-171.2	155.1	0	0	0	110.5	G327 I329 D358 L383 F384	G327-L360 VanDerWaalsContact O-CB 3.3Å; G327-L360 WeakPolarHBondContact O-CB 3.33Å; G327-L360 PolarHBondContact O-N 2.86Å; I329-L360 HydrophobicContact CG2-CB 4.07Å; I329-L360 HydrophobicContact CG2-CD1 3.71Å; I329-L360 HydrophobicContact CG2-CG 3.89Å; D358-L360 PolarHBondContact O-N 3.32Å; L360-L383 CarbonylContact O-C 3.5Å; L360-L383 WeakPolarHBondContact O-CA 3.29Å; L360-F384 PolarHBondContact O-N 3.45Å
361	D	90.9	Very high	88.5	Confident	86 Å²	86	71.2 Å²	71.2	46%	0.46	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-105.3	122	175.5	-171.1	-9.4	0	0	0	111	G363 T382 L383	D361-G363 PolarHBondContact O-N 2.76Å; D361-G363 WeakPolarHBondContact OD1-CA 3.38Å; D361-G363 PolarHBondContact OD1-N 2.82Å; D361-T382 VanDerWaalsContact CG-OG1 3.29Å; D361-T382 WeakPolarHBondContact OD1-CB 3.18Å; D361-T382 PolarHBondContact OD1-OG1 3.4Å; D361-T382 PolarHBondContact OD2-OG1 2.93Å; D361-L383 HydrophobicContact CB-CD2 4.11Å
362	C	91.4	Very high	88.1	Confident	17 Å²	17	71.8 Å²	71.8	12%	0.115	38%	0.383	C	S	.	.			trans	-79	-3	175.8	-71.9	0	0	0	0	113.8	T382 C406 W412	C362-T382 PolarHBondContact N-O 3.29Å; C362-C406 HydrophobicContact CB-CB 3.78Å; C362-C406 WeakPolarHBondContact CB-SG 3.3Å; C362-C406 WeakPolarHBondContact SG-CA 3.45Å; C362-C406 WeakPolarHBondContact SG-CB 3.15Å; C362-C406 CovalentContact SG-SG 2.02Å; C362-C406 PolarHBondContact SG-SG 2.93Å; C362-W412 HydrophobicContact CB-CD2 4.23Å; C362-W412 HydrophobicContact CB-CG 4.35Å; C362-W412 HydrophobicContact CB-CZ2 4.19Å; C362-W412 PolarHBondContact O-NE1 3.5Å
363	G	90.1	Very high	88	Confident	27 Å²	27	72.6 Å²	72.6	28%	0.278	38%	0.381	S	S	.	.			trans	68.8	-177.2	179.8	0	0	0	0	0	113.9	D361 T382 W412	D361-G363 PolarHBondContact O-N 2.76Å; D361-G363 WeakPolarHBondContact OD1-CA 3.38Å; D361-G363 PolarHBondContact OD1-N 2.82Å; G363-T382 WeakPolarHBondContact O-CG2 3.27Å; G363-W412 PolarHBondContact O-NE1 3.01Å
364	I	90.4	Very high	87.9	Confident	157 Å²	157	68.7 Å²	68.7	81%	0.805	37%	0.373	S	S	*	.	S	Bend	trans	-65.9	127.8	-175.7	-58	173.1	0	0	0	109.6
365	P	90.7	Very high	87.8	Confident	15 Å²	15	68.1 Å²	68.1	10%	0.097	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-58.6	141.8	178.8	-23.8	33.9	0	0	0	112.4	V373 F375 L388 W412	P365-V373 HydrophobicContact CB-CG1 4.3Å; P365-V373 HydrophobicContact CB-CG2 4.46Å; P365-V373 HydrophobicContact CG-CG1 4.26Å; P365-F375 HydrophobicContact CG-CE1 3.85Å; P365-F375 HydrophobicContact CG-CZ 3.68Å; P365-L388 HydrophobicContact CB-CD2 3.53Å; P365-L388 HydrophobicContact CG-CD2 3.15Å; P365-W412 HydrophobicContact CG-CZ2 4.16Å
366	K	89.6	Confident	87.5	Confident	155 Å²	155	70.3 Å²	70.3	67%	0.674	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-64.7	141.5	179.4	-67.2	178.5	-177.4	172.4	0	110.8	Y390 L421	K366-Y390 PolarHBondContact N-OH 3.03Å; K366-Y390 VanDerWaalsContact O-CE1 3.31Å; K366-Y390 WeakPolarHBondContact O-CE1 3.19Å; K366-Y390 PolarHBondContact O-OH 2.78Å; K366-L421 HydrophobicContact CB-CD1 3.74Å; K366-L421 HydrophobicContact CD-CD1 4.18Å
367	K	85.9	Confident	87.2	Confident	181 Å²	181	73.4 Å²	73.4	79%	0.787	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-73.4	136.9	178	-172.6	-179.5	175.3	-171.3	0	110.8
368	V	82.8	Confident	86.5	Confident	15 Å²	15	82.8 Å²	82.8	9%	0.091	44%	0.439	C	S	.	.			trans	-117.1	129.1	173.8	172	0	0	0	0	108.7	A371 Y390 L421 P422	V368-A371 HydrophobicContact CB-CB 3.94Å; V368-A371 HydrophobicContact CG1-CB 3.76Å; V368-A371 PolarHBondContact O-N 2.83Å; V368-Y390 HydrophobicContact CB-CD1 3.94Å; V368-Y390 HydrophobicContact CB-CE1 3.98Å; V368-Y390 HydrophobicContact CG2-CD1 3.74Å; V368-Y390 HydrophobicContact CG2-CE1 3.47Å; V368-Y390 VanDerWaalsContact CG2-CE1 3.47Å; V368-L421 HydrophobicContact CG2-CB 3.92Å; V368-L421 HydrophobicContact CG2-CD1 4Å; V368-L421 HydrophobicContact CG2-CD2 4.39Å; V368-L421 HydrophobicContact CG2-CG 4.33Å; V368-P422 WeakPolarHBondContact CG1-O 3.49Å
369	D	75.6	Confident	86.2	Confident	132 Å²	132	84.3 Å²	84.3	71%	0.706	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	134.3	-179.4	-72.7	-28.7	0	0	0	111.6	A371	D369-A371 PolarHBondContact O-N 3.03Å
370	G	72.4	Confident	86.1	Confident	48 Å²	48	84.2 Å²	84.2	50%	0.495	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	9.4	-176	0	0	0	0	0	114.6	C392 V393	G370-C392 CarbonylContact O-C 3.48Å; G370-C392 WeakPolarHBondContact O-CA 3.03Å; G370-V393 PolarHBondContact O-N 2.91Å
371	A	80.4	Confident	86	Confident	18 Å²	18	84.2 Å²	84.2	15%	0.149	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.4	176.1	0	0	0	0	0	112.9	V368 D369 Y390 V391	V368-A371 HydrophobicContact CB-CB 3.94Å; V368-A371 HydrophobicContact CG1-CB 3.76Å; V368-A371 PolarHBondContact O-N 2.83Å; D369-A371 PolarHBondContact O-N 3.03Å; A371-Y390 HydrophobicContact CB-CD1 4.35Å; A371-V391 CarbonylContact C-O 3.57Å; A371-V391 VanDerWaalsContact CA-O 3.24Å; A371-V391 WeakPolarHBondContact CA-O 3.33Å
372	V	85.8	Confident	86.1	Confident	70 Å²	70	81.3 Å²	81.3	42%	0.424	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.3	167.8	-65.2	0	0	0	0	110.3	Y390 V391 V393	V372-Y390 CarbonylContact O-C 3.52Å; V372-Y390 WeakPolarHBondContact O-CA 3.03Å; V372-V391 HydrophobicContact CG2-CB 4.07Å; V372-V391 WeakPolarHBondContact CG2-O 3.4Å; V372-V391 PolarHBondContact N-O 3.4Å; V372-V391 PolarHBondContact O-N 2.81Å; V372-V393 HydrophobicContact CG1-CG2 3.81Å
373	V	89.4	Confident	86.2	Confident	45 Å²	45	83.6 Å²	83.6	27%	0.273	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.8	176.5	-178.6	0	0	0	0	109.2	P365 F375 L388 Y390	P365-V373 HydrophobicContact CB-CG1 4.3Å; P365-V373 HydrophobicContact CB-CG2 4.46Å; P365-V373 HydrophobicContact CG-CG1 4.26Å; V373-F375 HydrophobicContact CG1-CD2 4.4Å; V373-F375 HydrophobicContact CG1-CE2 4.11Å; V373-F375 HydrophobicContact CG1-CZ 4.39Å; V373-L388 HydrophobicContact CG1-CB 4.18Å; V373-L388 HydrophobicContact CG1-CD1 4.4Å; V373-L388 HydrophobicContact CG1-CD2 4.2Å; V373-Y390 HydrophobicContact CG2-CD1 3.78Å; V373-Y390 HydrophobicContact CG2-CE1 3.4Å
374	M	88.8	Confident	86.3	Confident	109 Å²	109	85.1 Å²	85.1	54%	0.537	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.8	174.8	-63	-61.6	-64.5	0	0	108.7	L388 R389 V391	M374-L388 CarbonylContact O-C 3.27Å; M374-L388 VanDerWaalsContact O-CA 3.29Å; M374-L388 WeakPolarHBondContact O-CA 3.37Å; M374-R389 PolarHBondContact N-O 2.02Å; M374-R389 PolarHBondContact O-N 2.85Å; M374-V391 HydrophobicContact CG-CG2 3.91Å
375	F	90.1	Very high	86.3	Confident	51 Å²	51	79.7 Å²	79.7	22%	0.224	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	142.6	173.2	-69.7	-90.1	0	0	0	110.2	P365 V373 R377 N380 T382 L388	P365-F375 HydrophobicContact CG-CE1 3.85Å; P365-F375 HydrophobicContact CG-CZ 3.68Å; V373-F375 HydrophobicContact CG1-CD2 4.4Å; V373-F375 HydrophobicContact CG1-CE2 4.11Å; V373-F375 HydrophobicContact CG1-CZ 4.39Å; F375-R377 WeakPolarHBondContact CB-O 3.35Å; F375-R377 PolarHBondContact O-N 3.03Å; F375-N380 HydrophobicContact CD1-CB 4.35Å; F375-N380 HydrophobicContact CD2-CB 3.85Å; F375-N380 WeakPolarHBondContact CD2-OD1 3.3Å; F375-N380 HydrophobicContact CE2-CB 4.04Å; F375-N380 HydrophobicContact CG-CB 4.01Å; F375-N380 HydrophobicContact CZ-CB 4.37Å; F375-T382 HydrophobicContact CE1-CG2 4.11Å; F375-L388 HydrophobicContact CD1-CB 4.38Å
376	G	85.4	Confident	86.4	Confident	56 Å²	56	79.4 Å²	79.4	58%	0.577	43%	0.428	S	S	*	.	S	Bend	trans	-67.9	-19	177.3	0	0	0	0	0	113.2	T387	G376-T387 PolarHBondContact N-O 2.79Å
377	R	84.1	Confident	86.5	Confident	166 Å²	166	75.5 Å²	75.5	63%	0.626	42%	0.417	S	S	*	.	S	Bend	trans	-121.9	152.8	175.9	-66.5	-175.2	179.3	-172.9	2.5	110.6	F375 D379 N380	F375-R377 WeakPolarHBondContact CB-O 3.35Å; F375-R377 PolarHBondContact O-N 3.03Å; R377-D379 VanDerWaalsContact C-N 3.25Å; R377-D379 WeakPolarHBondContact CB-OD1 3.43Å; R377-D379 PolarHBondContact O-N 3.14Å; R377-N380 PolarHBondContact O-N 3.02Å
378	H	80.2	Confident	86.8	Confident	199 Å²	199	67.1 Å²	67.1	92%	0.921	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-15	-180	-64.4	-63.6	0	0	0	114.3	N380	H378-N380 PolarHBondContact O-N 2.91Å
379	D	84.9	Confident	87.2	Confident	101 Å²	101	72.7 Å²	72.7	54%	0.54	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.1	177.1	61.8	-0.1	0	0	0	112.9	R377 S381	R377-D379 VanDerWaalsContact C-N 3.25Å; R377-D379 WeakPolarHBondContact CB-OD1 3.43Å; R377-D379 PolarHBondContact O-N 3.14Å; D379-S381 PolarHBondContact O-N 2.8Å; D379-S381 VanDerWaalsContact O-N 3.16Å; D379-S381 WeakPolarHBondContact OD1-CB 3.39Å; D379-S381 PolarHBondContact OD1-N 3.35Å
380	N	87.7	Confident	87.7	Confident	96 Å²	96	66.6 Å²	66.6	51%	0.513	37%	0.367	S	S	.	.			trans	49.8	34.7	-173.7	-60.8	-21.7	0	0	0	112.8	F375 R377 H378 T382	F375-N380 HydrophobicContact CD1-CB 4.35Å; F375-N380 HydrophobicContact CD2-CB 3.85Å; F375-N380 WeakPolarHBondContact CD2-OD1 3.3Å; F375-N380 HydrophobicContact CE2-CB 4.04Å; F375-N380 HydrophobicContact CG-CB 4.01Å; F375-N380 HydrophobicContact CZ-CB 4.37Å; R377-N380 PolarHBondContact O-N 3.02Å; H378-N380 PolarHBondContact O-N 2.91Å; N380-T382 PolarHBondContact O-N 2.86Å
381	S	89.8	Confident	88.3	Confident	24 Å²	24	66.7 Å²	66.7	17%	0.168	36%	0.358	C	S	.	.			trans	-58.5	138	-179	-175.3	0	0	0	0	111.7	D379 L383 A386	D379-S381 PolarHBondContact O-N 2.8Å; D379-S381 VanDerWaalsContact O-N 3.16Å; D379-S381 WeakPolarHBondContact OD1-CB 3.39Å; D379-S381 PolarHBondContact OD1-N 3.35Å; S381-L383 PolarHBondContact OG-N 3.29Å; S381-A386 WeakPolarHBondContact O-CB 3.01Å
382	T	92.8	Very high	88.2	Confident	25 Å²	25	66.9 Å²	66.9	15%	0.153	36%	0.358	C	S	.	.			trans	-112.8	6	175.7	52.2	0	0	0	0	112	D361 C362 G363 F375 N380 C406 W412	D361-T382 VanDerWaalsContact CG-OG1 3.29Å; D361-T382 WeakPolarHBondContact OD1-CB 3.18Å; D361-T382 PolarHBondContact OD1-OG1 3.4Å; D361-T382 PolarHBondContact OD2-OG1 2.93Å; C362-T382 PolarHBondContact N-O 3.29Å; G363-T382 WeakPolarHBondContact O-CG2 3.27Å; F375-T382 HydrophobicContact CE1-CG2 4.11Å; N380-T382 PolarHBondContact O-N 2.86Å; T382-C406 PolarHBondContact O-SG 2.9Å; T382-C406 VanDerWaalsContact O-SG 3.4Å; T382-W412 HydrophobicContact CG2-CZ2 4.07Å
383	L	93.1	Very high	87.7	Confident	65 Å²	65	67.1 Å²	67.1	34%	0.34	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-70.6	161.8	-179.6	-60.1	178.5	0	0	0	112	M359 L360 D361 S381 G385 A386 C406	M359-L383 HydrophobicContact CB-CB 4.47Å; L360-L383 CarbonylContact O-C 3.5Å; L360-L383 WeakPolarHBondContact O-CA 3.29Å; D361-L383 HydrophobicContact CB-CD2 4.11Å; S381-L383 PolarHBondContact OG-N 3.29Å; L383-G385 PolarHBondContact O-N 3.11Å; L383-A386 WeakPolarHBondContact O-CB 3.03Å; L383-A386 PolarHBondContact O-N 2.89Å; L383-C406 WeakPolarHBondContact O-CB 3.33Å
384	F	92.6	Very high	86.4	Confident	59 Å²	59	71.8 Å²	71.8	26%	0.259	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	129	179.2	177.5	-115.7	0	0	0	112.8	G327 L360 A386 C406 P408	G327-F384 WeakPolarHBondContact O-CB 3.24Å; L360-F384 PolarHBondContact O-N 3.45Å; F384-A386 VanDerWaalsContact C-N 3.28Å; F384-A386 PolarHBondContact O-N 2.9Å; F384-C406 VanDerWaalsContact CA-SG 3.58Å; F384-C406 WeakPolarHBondContact CD2-O 3.26Å; F384-P408 HydrophobicContact CE2-CB 3.96Å; F384-P408 HydrophobicContact CZ-CB 4.5Å
385	G	89.8	Confident	85.1	Confident	44 Å²	44	72.6 Å²	72.6	45%	0.454	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-6.3	-175.9	0	0	0	0	0	115.6	L383 C406	L383-G385 PolarHBondContact O-N 3.11Å; G385-C406 PolarHBondContact N-O 3.02Å; G385-C406 VanDerWaalsContact N-O 3.16Å
386	A	93.1	Very high	83.6	Confident	9 Å²	9	70.8 Å²	70.8	7%	0.074	38%	0.381	C	S	.	.			trans	-59.7	152	168.4	0	0	0	0	0	110.8	S381 L383 F384 R405 C406 W412	S381-A386 WeakPolarHBondContact O-CB 3.01Å; L383-A386 WeakPolarHBondContact O-CB 3.03Å; L383-A386 PolarHBondContact O-N 2.89Å; F384-A386 VanDerWaalsContact C-N 3.28Å; F384-A386 PolarHBondContact O-N 2.9Å; A386-R405 CarbonylContact O-C 3.56Å; A386-R405 VanDerWaalsContact O-CA 3.24Å; A386-R405 WeakPolarHBondContact O-CA 3.36Å; A386-C406 PolarHBondContact O-N 3.06Å; A386-W412 HydrophobicContact CB-CH2 4.02Å; A386-W412 WeakPolarHBondContact O-CZ3 3.29Å
387	T	92.8	Very high	82.4	Confident	73 Å²	73	70 Å²	70	45%	0.448	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.7	-177.6	55.1	0	0	0	0	110.7	G376 F404 R405	G376-T387 PolarHBondContact N-O 2.79Å; T387-F404 CarbonylContact C-O 3.59Å; T387-F404 VanDerWaalsContact CA-O 3.29Å; T387-F404 WeakPolarHBondContact CA-O 3.46Å; T387-R405 HydrophobicContact CG2-CB 4.16Å
388	L	91.8	Very high	81.2	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	164	173.5	65.8	79.4	0	0	0	111.1	P365 V373 M374 F375 Y390 S403 F404 W412	P365-L388 HydrophobicContact CB-CD2 3.53Å; P365-L388 HydrophobicContact CG-CD2 3.15Å; V373-L388 HydrophobicContact CG1-CB 4.18Å; V373-L388 HydrophobicContact CG1-CD1 4.4Å; V373-L388 HydrophobicContact CG1-CD2 4.2Å; M374-L388 CarbonylContact O-C 3.27Å; M374-L388 VanDerWaalsContact O-CA 3.29Å; M374-L388 WeakPolarHBondContact O-CA 3.37Å; F375-L388 HydrophobicContact CD1-CB 4.38Å; L388-Y390 HydrophobicContact CD1-CD2 3.88Å; L388-Y390 HydrophobicContact CD1-CE2 3.63Å; L388-S403 WeakPolarHBondContact O-CA 3.19Å; L388-F404 HydrophobicContact CD1-CB 3.8Å; L388-F404 HydrophobicContact CD1-CD2 4.12Å; L388-F404 HydrophobicContact CD1-CG 4.31Å; L388-F404 HydrophobicContact CG-CB 4.12Å; L388-F404 PolarHBondContact N-O 3.16Å; L388-F404 PolarHBondContact O-N 2.89Å; L388-W412 HydrophobicContact CB-CZ3 4.33Å; L388-W412 HydrophobicContact CD2-CD2 3.58Å; L388-W412 HydrophobicContact CD2-CE3 3.5Å; L388-W412 HydrophobicContact CD2-CG 4.32Å; L388-W412 HydrophobicContact CD2-CH2 3.76Å; L388-W412 HydrophobicContact CD2-CZ2 3.83Å; L388-W412 HydrophobicContact CD2-CZ3 3.6Å; L388-W412 HydrophobicContact CG-CD2 4.31Å; L388-W412 HydrophobicContact CG-CE3 3.76Å; L388-W412 HydrophobicContact CG-CH2 4.31Å; L388-W412 HydrophobicContact CG-CZ3 3.76Å
389	R	90.1	Very high	80.1	Confident	132 Å²	132	61.5 Å²	61.5	50%	0.498	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.3	174.1	-175.4	177.9	-71.7	-179.8	-2.8	112	M374 V391 T402 S403	M374-R389 PolarHBondContact N-O 2.02Å; M374-R389 PolarHBondContact O-N 2.85Å; R389-V391 HydrophobicContact CG-CG2 4.22Å; R389-T402 CarbonylContact C-O 3.56Å; R389-T402 WeakPolarHBondContact CA-O 3.37Å; R389-S403 PolarHBondContact NE-OG 3.48Å; R389-S403 VanDerWaalsContact NE-OG 3.11Å; R389-S403 PolarHBondContact NH2-OG 3.38Å
390	Y	87.3	Confident	79.1	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.8	167.9	-71.7	-87	0	0	0	111.2	K366 V368 A371 V372 V373 L388 T402 F404 L421 P422	K366-Y390 PolarHBondContact N-OH 3.03Å; K366-Y390 VanDerWaalsContact O-CE1 3.31Å; K366-Y390 WeakPolarHBondContact O-CE1 3.19Å; K366-Y390 PolarHBondContact O-OH 2.78Å; V368-Y390 HydrophobicContact CB-CD1 3.94Å; V368-Y390 HydrophobicContact CB-CE1 3.98Å; V368-Y390 HydrophobicContact CG2-CD1 3.74Å; V368-Y390 HydrophobicContact CG2-CE1 3.47Å; V368-Y390 VanDerWaalsContact CG2-CE1 3.47Å; A371-Y390 HydrophobicContact CB-CD1 4.35Å; V372-Y390 CarbonylContact O-C 3.52Å; V372-Y390 WeakPolarHBondContact O-CA 3.03Å; V373-Y390 HydrophobicContact CG2-CD1 3.78Å; V373-Y390 HydrophobicContact CG2-CE1 3.4Å; L388-Y390 HydrophobicContact CD1-CD2 3.88Å; L388-Y390 HydrophobicContact CD1-CE2 3.63Å; Y390-T402 PolarHBondContact N-O 3.39Å; Y390-T402 WeakPolarHBondContact O-CB 3.27Å; Y390-T402 VanDerWaalsContact O-CG2 3.25Å; Y390-T402 WeakPolarHBondContact O-CG2 3.25Å; Y390-F404 AromaticContact CD2-CD2 3.94Å; Y390-F404 HydrophobicContact CD2-CD2 3.94Å; Y390-F404 AromaticContact CD2-CE2 3.95Å; Y390-F404 HydrophobicContact CD2-CE2 3.95Å; Y390-F404 HydrophobicContact CE2-CD2 4.03Å; Y390-F404 HydrophobicContact CE2-CE2 4.16Å; Y390-L421 HydrophobicContact CE2-CD2 3.96Å; Y390-P422 HydrophobicContact CD2-CG 3.95Å; Y390-P422 HydrophobicContact CG-CG 3.78Å
391	V	84.2	Confident	78	Confident	50 Å²	50	58 Å²	58	30%	0.303	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.1	-179.2	-175.8	0	0	0	0	109.8	A371 V372 M374 R389	A371-V391 CarbonylContact C-O 3.57Å; A371-V391 VanDerWaalsContact CA-O 3.24Å; A371-V391 WeakPolarHBondContact CA-O 3.33Å; V372-V391 HydrophobicContact CG2-CB 4.07Å; V372-V391 WeakPolarHBondContact CG2-O 3.4Å; V372-V391 PolarHBondContact N-O 3.4Å; V372-V391 PolarHBondContact O-N 2.81Å; M374-V391 HydrophobicContact CG-CG2 3.91Å; R389-V391 HydrophobicContact CG-CG2 4.22Å
392	C	79.4	Confident	77.4	Confident	21 Å²	21	57.8 Å²	57.8	14%	0.142	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.1	178.2	-57.5	0	0	0	0	111.8	G370 Q398 C424	G370-C392 CarbonylContact O-C 3.48Å; G370-C392 WeakPolarHBondContact O-CA 3.03Å; C392-Q398 HydrophobicContact CB-CG 4.49Å; C392-C424 WeakPolarHBondContact CA-SG 3.06Å; C392-C424 HydrophobicContact CB-CB 3.77Å; C392-C424 WeakPolarHBondContact CB-SG 3.45Å; C392-C424 WeakPolarHBondContact SG-CB 3.18Å; C392-C424 CovalentContact SG-SG 2.03Å; C392-C424 PolarHBondContact SG-SG 3.24Å
393	V	73.4	Confident	77.2	Confident	76 Å²	76	58.4 Å²	58.4	46%	0.461	32%	0.324	S	S	.	.	S	Bend	trans	-93.4	155.1	179.2	-164.9	0	0	0	0	110.2	G370 V372 G396	G370-V393 PolarHBondContact O-N 2.91Å; V372-V393 HydrophobicContact CG1-CG2 3.81Å; V393-G396 PolarHBondContact O-N 3.42Å
394	E	62.9	Low	77.2	Confident	143 Å²	143	55.6 Å²	55.6	67%	0.668	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	46.1	174.5	-54.8	-168.9	168.2	0	0	116.2	G396 R562	E394-G396 PolarHBondContact O-N 2.93Å; E394-G396 VanDerWaalsContact O-N 3.08Å; E394-R562 IonicContact OE2-NH2 2.78Å
395	D	60.8	Low	77.2	Confident	125 Å²	125	58.1 Å²	58.1	67%	0.668	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	22.9	-177.6	-61.8	-32.9	0	0	0	113.6
396	G	60.1	Low	77.4	Confident	14 Å²	14	56 Å²	56	14%	0.144	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-61.1	140.9	174.7	0	0	0	0	0	111.9	V393 E394 L425	V393-G396 PolarHBondContact O-N 3.42Å; E394-G396 PolarHBondContact O-N 2.93Å; E394-G396 VanDerWaalsContact O-N 3.08Å; G396-L425 CarbonylContact C-O 3.13Å; G396-L425 WeakPolarHBondContact CA-O 3.36Å
397	V	59.4	Low	77.3	Confident	38 Å²	38	55.7 Å²	55.7	23%	0.23	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.1	-173	-179.3	0	0	0	0	110.2	L425 W707	V397-L425 PolarHBondContact N-O 2.87Å; V397-W707 HydrophobicContact CB-CB 4.28Å; V397-W707 HydrophobicContact CB-CG 4.45Å; V397-W707 HydrophobicContact CG1-CB 3.98Å; V397-W707 HydrophobicContact CG1-CG 4.27Å; V397-W707 HydrophobicContact CG2-CB 3.68Å; V397-W707 HydrophobicContact CG2-CG 4.19Å
398	Q	59.1	Low	77	Confident	107 Å²	107	55.4 Å²	55.4	50%	0.5	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.2	179.9	-70.9	173.9	-26.7	0	0	110.8	C392	C392-Q398 HydrophobicContact CB-CG 4.49Å
399	L	56.8	Low	76.7	Confident	81 Å²	81	59.1 Å²	59.1	42%	0.424	32%	0.323	S	S	.	.			trans	-111.3	-6	-174	-69.4	167.4	0	0	0	114.8	L425	L399-L425 HydrophobicContact CD1-CD1 3.66Å; L399-L425 HydrophobicContact CD1-CG 3.89Å
400	S	63.3	Low	76.6	Confident	59 Å²	59	53.9 Å²	53.9	41%	0.413	31%	0.31	S	S	.	.	S	Bend	trans	-159.7	179.3	-174.7	51.9	0	0	0	0	113.5	T402 P422	S400-T402 PolarHBondContact O-N 3.31Å; S400-P422 VanDerWaalsContact OG-CA 3.27Å; S400-P422 WeakPolarHBondContact OG-CA 3.45Å; S400-P422 WeakPolarHBondContact OG-CB 3.35Å
401	N	65.7	Low	76.8	Confident	64 Å²	64	59.1 Å²	59.1	34%	0.342	34%	0.335	S	S	.	.			trans	-60.1	126.4	177.5	-162	-6.8	0	0	0	110.3	S403	N401-S403 PolarHBondContact OD1-N 3.4Å
402	T	77.4	Confident	77.1	Confident	19 Å²	19	58.1 Å²	58.1	12%	0.117	33%	0.326	C	S	.	.			trans	-103.6	-11	-174.6	50.9	0	0	0	0	112.6	R389 Y390 S400 P422	R389-T402 CarbonylContact C-O 3.56Å; R389-T402 WeakPolarHBondContact CA-O 3.37Å; Y390-T402 PolarHBondContact N-O 3.39Å; Y390-T402 WeakPolarHBondContact O-CB 3.27Å; Y390-T402 VanDerWaalsContact O-CG2 3.25Å; Y390-T402 WeakPolarHBondContact O-CG2 3.25Å; S400-T402 PolarHBondContact O-N 3.31Å; T402-P422 HydrophobicContact CG2-CB 4.48Å
403	S	88.8	Confident	77.7	Confident	39 Å²	39	58 Å²	58	27%	0.273	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.6	-172.2	-55.7	0	0	0	0	110.4	L388 R389 N401	L388-S403 WeakPolarHBondContact O-CA 3.19Å; R389-S403 PolarHBondContact NE-OG 3.48Å; R389-S403 VanDerWaalsContact NE-OG 3.11Å; R389-S403 PolarHBondContact NH2-OG 3.38Å; N401-S403 PolarHBondContact OD1-N 3.4Å
404	F	91.9	Very high	78.5	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.022	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.2	-179.3	-67.9	-102.8	0	0	0	110.1	T387 L388 Y390 W412 V413 D414 Q420	T387-F404 CarbonylContact C-O 3.59Å; T387-F404 VanDerWaalsContact CA-O 3.29Å; T387-F404 WeakPolarHBondContact CA-O 3.46Å; L388-F404 HydrophobicContact CD1-CB 3.8Å; L388-F404 HydrophobicContact CD1-CD2 4.12Å; L388-F404 HydrophobicContact CD1-CG 4.31Å; L388-F404 HydrophobicContact CG-CB 4.12Å; L388-F404 PolarHBondContact N-O 3.16Å; L388-F404 PolarHBondContact O-N 2.89Å; Y390-F404 AromaticContact CD2-CD2 3.94Å; Y390-F404 HydrophobicContact CD2-CD2 3.94Å; Y390-F404 AromaticContact CD2-CE2 3.95Å; Y390-F404 HydrophobicContact CD2-CE2 3.95Å; Y390-F404 HydrophobicContact CE2-CD2 4.03Å; Y390-F404 HydrophobicContact CE2-CE2 4.16Å; F404-W412 HydrophobicContact CB-CB 4.27Å; F404-W412 HydrophobicContact CB-CE3 4.17Å; F404-W412 HydrophobicContact CD1-CB 4.35Å; F404-V413 CarbonylContact C-O 3.6Å; F404-V413 VanDerWaalsContact CA-O 3.27Å; F404-V413 WeakPolarHBondContact CA-O 3.27Å; F404-D414 HydrophobicContact CD1-CB 4.28Å; F404-D414 HydrophobicContact CE1-CB 4.04Å; F404-D414 HydrophobicContact CZ-CB 4.36Å; F404-Q420 WeakPolarHBondContact CZ-O 3.35Å
405	R	93.1	Very high	79.7	Confident	113 Å²	113	52.6 Å²	52.6	43%	0.426	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.3	173	56.5	179.1	-83	-104.2	3.1	110.1	A386 T387 G407 V413	A386-R405 CarbonylContact O-C 3.56Å; A386-R405 VanDerWaalsContact O-CA 3.24Å; A386-R405 WeakPolarHBondContact O-CA 3.36Å; T387-R405 HydrophobicContact CG2-CB 4.16Å; R405-G407 PolarHBondContact O-N 2.99Å; R405-G407 VanDerWaalsContact O-N 3.13Å; R405-V413 HydrophobicContact CG-CG2 3.99Å; R405-V413 WeakPolarHBondContact CG-O 3.07Å; R405-V413 PolarHBondContact N-O 2.79Å; R405-V413 PolarHBondContact O-N 3.49Å
406	C	93.8	Very high	80.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	111.7	172.6	178	0	0	0	0	109.2	C362 T382 L383 F384 G385 A386 W412	C362-C406 HydrophobicContact CB-CB 3.78Å; C362-C406 WeakPolarHBondContact CB-SG 3.3Å; C362-C406 WeakPolarHBondContact SG-CA 3.45Å; C362-C406 WeakPolarHBondContact SG-CB 3.15Å; C362-C406 CovalentContact SG-SG 2.02Å; C362-C406 PolarHBondContact SG-SG 2.93Å; T382-C406 PolarHBondContact O-SG 2.9Å; T382-C406 VanDerWaalsContact O-SG 3.4Å; L383-C406 WeakPolarHBondContact O-CB 3.33Å; F384-C406 VanDerWaalsContact CA-SG 3.58Å; F384-C406 WeakPolarHBondContact CD2-O 3.26Å; G385-C406 PolarHBondContact N-O 3.02Å; G385-C406 VanDerWaalsContact N-O 3.16Å; A386-C406 PolarHBondContact O-N 3.06Å; C406-W412 HydrophobicContact CB-CE3 4.34Å; C406-W412 HydrophobicContact CB-CH2 4.18Å; C406-W412 HydrophobicContact CB-CZ3 4.07Å
407	G	90.6	Very high	82.1	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.01	33%	0.333	C	S	.	.			trans	-80.7	169.1	-175.4	0	0	0	0	0	113.4	R405 A409 G410 E411	R405-G407 PolarHBondContact O-N 2.99Å; R405-G407 VanDerWaalsContact O-N 3.13Å; G407-A409 PolarHBondContact O-N 2.61Å; G407-G410 PolarHBondContact O-N 2.83Å; G407-E411 PolarHBondContact N-O 3.42Å
408	P	87.8	Confident	83.3	Confident	67 Å²	67	54.9 Å²	54.9	44%	0.435	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.1	-175.9	29.2	-35.5	0	0	0	113.9	P326 F384	P326-P408 HydrophobicContact CB-CB 4.19Å; F384-P408 HydrophobicContact CE2-CB 3.96Å; F384-P408 HydrophobicContact CZ-CB 4.5Å
409	A	85.2	Confident	84.7	Confident	84 Å²	84	53.7 Å²	53.7	69%	0.694	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	2.3	177.8	0	0	0	0	0	113.7	G407	G407-A409 PolarHBondContact O-N 2.61Å
410	G	87	Confident	86.1	Confident	22 Å²	22	57.7 Å²	57.7	23%	0.227	35%	0.351	C	S	.	.	S	Bend	trans	82.1	22.3	-177.3	0	0	0	0	0	116.5	G407	G407-G410 PolarHBondContact O-N 2.83Å
411	E	91.2	Very high	87.1	Confident	113 Å²	113	57.6 Å²	57.6	53%	0.528	35%	0.346	S	S	.	.	S	Bend	trans	-116.7	145.2	174.2	-59.3	-169.8	148.3	0	0	110.7	G407 V413 T419	G407-E411 PolarHBondContact N-O 3.42Å; E411-V413 HydrophobicContact CB-CG1 4.4Å; E411-V413 PolarHBondContact O-N 2.79Å; E411-T419 HydrophobicContact CB-CG2 4.31Å
412	W	92.2	Very high	87.9	Confident	30 Å²	30	55 Å²	55	11%	0.114	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.2	168.4	-70.8	100.8	0	0	0	108.9	C362 G363 P365 T382 A386 L388 F404 C406	C362-W412 HydrophobicContact CB-CD2 4.23Å; C362-W412 HydrophobicContact CB-CG 4.35Å; C362-W412 HydrophobicContact CB-CZ2 4.19Å; C362-W412 PolarHBondContact O-NE1 3.5Å; G363-W412 PolarHBondContact O-NE1 3.01Å; P365-W412 HydrophobicContact CG-CZ2 4.16Å; T382-W412 HydrophobicContact CG2-CZ2 4.07Å; A386-W412 HydrophobicContact CB-CH2 4.02Å; A386-W412 WeakPolarHBondContact O-CZ3 3.29Å; L388-W412 HydrophobicContact CB-CZ3 4.33Å; L388-W412 HydrophobicContact CD2-CD2 3.58Å; L388-W412 HydrophobicContact CD2-CE3 3.5Å; L388-W412 HydrophobicContact CD2-CG 4.32Å; L388-W412 HydrophobicContact CD2-CH2 3.76Å; L388-W412 HydrophobicContact CD2-CZ2 3.83Å; L388-W412 HydrophobicContact CD2-CZ3 3.6Å; L388-W412 HydrophobicContact CG-CD2 4.31Å; L388-W412 HydrophobicContact CG-CE3 3.76Å; L388-W412 HydrophobicContact CG-CH2 4.31Å; L388-W412 HydrophobicContact CG-CZ3 3.76Å; F404-W412 HydrophobicContact CB-CB 4.27Å; F404-W412 HydrophobicContact CB-CE3 4.17Å; F404-W412 HydrophobicContact CD1-CB 4.35Å; C406-W412 HydrophobicContact CB-CE3 4.34Å; C406-W412 HydrophobicContact CB-CH2 4.18Å; C406-W412 HydrophobicContact CB-CZ3 4.07Å
413	V	92.1	Very high	88	Confident	18 Å²	18	57.9 Å²	57.9	11%	0.109	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.8	-177.7	-63.9	0	0	0	0	111.5	F404 R405 E411 G418 T419	F404-V413 CarbonylContact C-O 3.6Å; F404-V413 VanDerWaalsContact CA-O 3.27Å; F404-V413 WeakPolarHBondContact CA-O 3.27Å; R405-V413 HydrophobicContact CG-CG2 3.99Å; R405-V413 WeakPolarHBondContact CG-O 3.07Å; R405-V413 PolarHBondContact N-O 2.79Å; R405-V413 PolarHBondContact O-N 3.49Å; E411-V413 HydrophobicContact CB-CG1 4.4Å; E411-V413 PolarHBondContact O-N 2.79Å; V413-G418 CarbonylContact C-O 3.49Å; V413-G418 VanDerWaalsContact CA-O 3.3Å; V413-G418 WeakPolarHBondContact CA-O 3.3Å; V413-T419 HydrophobicContact CG1-CG2 4Å
414	D	90.2	Very high	87.3	Confident	21 Å²	21	57.1 Å²	57.1	11%	0.112	34%	0.344	C	S	.	.			trans	-77.3	-170	173.3	69.3	23.6	0	0	0	112	F404 D416 G417 G418	F404-D414 HydrophobicContact CD1-CB 4.28Å; F404-D414 HydrophobicContact CE1-CB 4.04Å; F404-D414 HydrophobicContact CZ-CB 4.36Å; D414-D416 VanDerWaalsContact C-N 3.26Å; D414-D416 PolarHBondContact O-N 2.56Å; D414-D416 WeakPolarHBondContact OD1-CA 3.4Å; D414-D416 PolarHBondContact OD1-N 3.41Å; D414-G417 PolarHBondContact O-N 3.47Å; D414-G417 PolarHBondContact OD1-N 3.39Å; D414-G418 PolarHBondContact N-O 3.17Å; D414-G418 PolarHBondContact OD1-N 3.43Å
415	A	86.4	Confident	86.3	Confident	85 Å²	85	58.4 Å²	58.4	70%	0.702	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.9	179.7	0	0	0	0	0	113.7
416	D	87	Confident	85	Confident	150 Å²	150	55.1 Å²	55.1	80%	0.802	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	1.2	-178.8	-58.7	-51.2	0	0	0	111.8	D414	D414-D416 VanDerWaalsContact C-N 3.26Å; D414-D416 PolarHBondContact O-N 2.56Å; D414-D416 WeakPolarHBondContact OD1-CA 3.4Å; D414-D416 PolarHBondContact OD1-N 3.41Å
417	G	84.9	Confident	84.1	Confident	49 Å²	49	55.3 Å²	55.3	51%	0.505	35%	0.346	S	S	.	.	S	Bend	trans	83.6	9.3	-176.6	0	0	0	0	0	114	D414	D414-G417 PolarHBondContact O-N 3.47Å; D414-G417 PolarHBondContact OD1-N 3.39Å
418	G	85.8	Confident	83.8	Confident	26 Å²	26	55.3 Å²	55.3	27%	0.268	35%	0.346	S	S	.	.			trans	-77.5	149.8	178.1	0	0	0	0	0	113.1	V413 D414	V413-G418 CarbonylContact C-O 3.49Å; V413-G418 VanDerWaalsContact CA-O 3.3Å; V413-G418 WeakPolarHBondContact CA-O 3.3Å; D414-G418 PolarHBondContact N-O 3.17Å; D414-G418 PolarHBondContact OD1-N 3.43Å
419	T	88.1	Confident	83.8	Confident	81 Å²	81	52.1 Å²	52.1	50%	0.497	33%	0.325	S	S	.	.			trans	-109.1	9	177.9	54.7	0	0	0	0	112.9	E411 V413 L421	E411-T419 HydrophobicContact CB-CG2 4.31Å; V413-T419 HydrophobicContact CG1-CG2 4Å; T419-L421 PolarHBondContact O-N 2.79Å
420	Q	86.4	Confident	83.9	Confident	165 Å²	165	50.2 Å²	50.2	77%	0.771	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-76.7	119.6	-175.5	-174.8	172.8	0.3	0	0	111.1	F404	F404-Q420 WeakPolarHBondContact CZ-O 3.35Å
421	L	84.4	Confident	83.9	Confident	58 Å²	58	50.3 Å²	50.3	30%	0.304	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-71.8	149.5	-179.8	-62.6	175.4	0	0	0	112.2	K366 V368 Y390 T419	K366-L421 HydrophobicContact CB-CD1 3.74Å; K366-L421 HydrophobicContact CD-CD1 4.18Å; V368-L421 HydrophobicContact CG2-CB 3.92Å; V368-L421 HydrophobicContact CG2-CD1 4Å; V368-L421 HydrophobicContact CG2-CD2 4.39Å; V368-L421 HydrophobicContact CG2-CG 4.33Å; Y390-L421 HydrophobicContact CE2-CD2 3.96Å; T419-L421 PolarHBondContact O-N 2.79Å
422	P	81	Confident	83.4	Confident	8 Å²	8	47 Å²	47	5%	0.052	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-71.7	156.4	177.8	27.9	-32.8	0	0	0	112.9	V368 Y390 S400 T402	V368-P422 WeakPolarHBondContact CG1-O 3.49Å; Y390-P422 HydrophobicContact CD2-CG 3.95Å; Y390-P422 HydrophobicContact CG-CG 3.78Å; S400-P422 VanDerWaalsContact OG-CA 3.27Å; S400-P422 WeakPolarHBondContact OG-CA 3.45Å; S400-P422 WeakPolarHBondContact OG-CB 3.35Å; T402-P422 HydrophobicContact CG2-CB 4.48Å
423	V	79.2	Confident	83	Confident	81 Å²	81	51.2 Å²	51.2	49%	0.491	30%	0.304	S	S	.	.			trans	-112.1	129.3	175.1	-178	0	0	0	0	109.4	L425	V423-L425 HydrophobicContact CG1-CD2 4.19Å; V423-L425 HydrophobicContact CG1-CG 4.44Å
424	C	74.9	Confident	82.4	Confident	22 Å²	22	55.3 Å²	55.3	15%	0.149	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.5	175.5	-68.1	0	0	0	0	110.5	C392	C392-C424 WeakPolarHBondContact CA-SG 3.06Å; C392-C424 HydrophobicContact CB-CB 3.77Å; C392-C424 WeakPolarHBondContact CB-SG 3.45Å; C392-C424 WeakPolarHBondContact SG-CB 3.18Å; C392-C424 CovalentContact SG-SG 2.03Å; C392-C424 PolarHBondContact SG-SG 3.24Å
425	L	70.3	Confident	81.6	Confident	33 Å²	33	55 Å²	55	17%	0.173	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143	176	-62.5	-178.3	0	0	0	111.4	G396 V397 L399 V423	G396-L425 CarbonylContact C-O 3.13Å; G396-L425 WeakPolarHBondContact CA-O 3.36Å; V397-L425 PolarHBondContact N-O 2.87Å; L399-L425 HydrophobicContact CD1-CD1 3.66Å; L399-L425 HydrophobicContact CD1-CG 3.89Å; V423-L425 HydrophobicContact CG1-CD2 4.19Å; V423-L425 HydrophobicContact CG1-CG 4.44Å
426	P	65.8	Low	80.7	Confident	44 Å²	44	54 Å²	54	29%	0.286	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-69.6	144.8	176.6	28.6	-33.9	0	0	0	112.1	F557	P426-F557 HydrophobicContact CG-CB 3.56Å; P426-F557 HydrophobicContact CG-CD2 3.24Å; P426-F557 HydrophobicContact CG-CE2 4.07Å; P426-F557 HydrophobicContact CG-CG 3.76Å
427	A	75.3	Confident	79.2	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.033	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-70.5	151.2	179.4	0	0	0	0	0	113.9	L430	A427-L430 HydrophobicContact CB-CD1 3.94Å
428	C	85.6	Confident	77.7	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.007	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	157.7	174.6	70.6	0	0	0	0	113.2	L430 P563 C565 R664	C428-L430 PolarHBondContact O-N 3.18Å; C428-P563 CarbonylContact C-O 3.59Å; C428-P563 WeakPolarHBondContact CA-O 3.06Å; C428-P563 HydrophobicContact CB-CB 4.42Å; C428-P563 HydrophobicContact CB-CG 4.15Å; C428-C565 HydrophobicContact CB-CB 4.08Å; C428-C565 WeakPolarHBondContact CB-SG 3.5Å; C428-C565 PolarHBondContact O-SG 2.88Å; C428-C565 WeakPolarHBondContact SG-CA 3.49Å; C428-C565 WeakPolarHBondContact SG-CB 3.39Å; C428-C565 CovalentContact SG-SG 2.05Å; C428-C565 PolarHBondContact SG-SG 3.35Å; C428-R664 WeakPolarHBondContact O-CD 3.32Å
429	G	86.6	Confident	75.9	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	16.4	167.3	0	0	0	0	0	114.8	P431 P563 C565 W665	G429-P431 WeakPolarHBondContact O-CD 3.33Å; G429-P563 PolarHBondContact N-O 3.06Å; G429-C565 PolarHBondContact N-SG 3.17Å; G429-W665 WeakPolarHBondContact CA-O 3.48Å; G429-W665 PolarHBondContact O-N 3.14Å
430	L	87.2	Confident	73.7	Confident	43 Å²	43	67.6 Å²	67.6	23%	0.225	35%	0.348	C	S	.	.			trans	-112.3	98.1	179.4	-66.3	180	0	0	0	110.6	A427 C428 R562 R664	A427-L430 HydrophobicContact CB-CD1 3.94Å; C428-L430 PolarHBondContact O-N 3.18Å; L430-R562 VanDerWaalsContact O-CD 3.31Å; L430-R562 WeakPolarHBondContact O-CD 3.18Å; L430-R562 PolarHBondContact O-NH1 2.97Å; L430-R664 HydrophobicContact CD2-CG 4.24Å
431	P	86.4	Confident	71.6	Confident	25 Å²	25	68.7 Å²	68.7	16%	0.162	35%	0.345	C	S	.	.			trans	-66.8	144.7	176.3	31	-35.3	0	0	0	110.4	G429 R433 F452 P454 W455	G429-P431 WeakPolarHBondContact O-CD 3.33Å; P431-R433 WeakPolarHBondContact CB-O 3.16Å; P431-R433 PolarHBondContact O-N 3Å; P431-F452 WeakPolarHBondContact CB-O 3.31Å; P431-P454 HydrophobicContact CB-CG 4.45Å; P431-W455 HydrophobicContact CB-CH2 4.35Å; P431-W455 HydrophobicContact CB-CZ3 4.48Å
432	S	82.3	Confident	69.8	Low	43 Å²	43	66.7 Å²	66.7	30%	0.301	33%	0.334	S	S	.	.	S	Bend	trans	-72.3	-16.8	178.9	62.3	0	0	0	0	112.7	G451 R559	S432-G451 PolarHBondContact N-O 2.98Å; S432-G451 VanDerWaalsContact OG-CA 3.27Å; S432-G451 WeakPolarHBondContact OG-CA 3.5Å; S432-G451 PolarHBondContact OG-O 3.38Å; S432-R559 WeakPolarHBondContact CB-O 3.31Å; S432-R559 PolarHBondContact OG-O 2.82Å
433	R	83.4	Confident	67.9	Low	118 Å²	118	72.5 Å²	72.5	45%	0.445	37%	0.369	S	S	.	.	S	Bend	trans	-125.8	132	168.9	-71.9	-170.3	-179.4	-172.6	1.6	109.7	P431 E449 P450 G451 F452	P431-R433 WeakPolarHBondContact CB-O 3.16Å; P431-R433 PolarHBondContact O-N 3Å; R433-E449 IonicContact CZ-OE2 3.19Å; R433-E449 IonicContact NH1-OE2 3.67Å; R433-E449 PolarHBondContact NH1-OE2 2.88Å; R433-P450 WeakPolarHBondContact CD-O 3.24Å; R433-G451 PolarHBondContact N-O 3.5Å; R433-F452 HydrophobicContact CB-CD1 3.74Å; R433-F452 HydrophobicContact CB-CE1 3.9Å
434	P	79	Confident	66.7	Low	104 Å²	104	70.2 Å²	70.2	68%	0.675	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-65.8	138	179.1	27.8	-33.7	0	0	0	110.6
435	L	73.9	Confident	66.2	Low	16 Å²	16	71.5 Å²	71.5	8%	0.084	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-69.9	144.8	172.5	-75.3	157	0	0	0	110	H437 F452 F453 L585 W665	L435-H437 PolarHBondContact O-N 3.38Å; L435-F452 HydrophobicContact CD2-CB 3.89Å; L435-F452 HydrophobicContact CD2-CD2 3.85Å; L435-F452 HydrophobicContact CD2-CG 3.91Å; L435-F453 HydrophobicContact CD1-CE1 4.37Å; L435-F453 HydrophobicContact CD2-CE1 4.35Å; L435-F453 HydrophobicContact CD2-CE2 3.97Å; L435-F453 HydrophobicContact CD2-CZ 3.75Å; L435-L585 HydrophobicContact CD1-CD1 3.68Å; L435-L585 HydrophobicContact CD2-CD1 4.16Å; L435-L585 HydrophobicContact CG-CD1 4.39Å; L435-W665 HydrophobicContact CB-CZ2 4.12Å; L435-W665 HydrophobicContact CD1-CD2 4.09Å; L435-W665 HydrophobicContact CD1-CE3 4.39Å; L435-W665 HydrophobicContact CD1-CH2 3.7Å; L435-W665 HydrophobicContact CD1-CZ2 3.33Å; L435-W665 HydrophobicContact CD1-CZ3 4.22Å; L435-W665 HydrophobicContact CG-CZ2 4.34Å
436	P	66.9	Low	66.5	Low	64 Å²	64	75.3 Å²	75.3	42%	0.416	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-58.7	123.3	-176.6	-23.2	31.9	0	0	0	113.2	Q438 F452	P436-Q438 VanDerWaalsContact C-N 3.31Å; P436-Q438 PolarHBondContact O-N 3.21Å; P436-F452 HydrophobicContact CG-CE2 4.42Å; P436-F452 HydrophobicContact CG-CZ 4.46Å
437	H	57	Low	67.1	Low	175 Å²	175	76.4 Å²	76.4	81%	0.81	40%	0.4	S	S	*	.	S	Bend	trans	-66.7	-22.5	-175.2	-86.5	-84.6	0	0	0	115.3	L435	L435-H437 PolarHBondContact O-N 3.38Å
438	Q	53	Low	67.6	Low	180 Å²	180	76.6 Å²	76.6	84%	0.841	40%	0.401	S	S	*	.			trans	-134.2	122.1	-178.9	-73.6	-175.7	-8.4	0	0	110.1	P436	P436-Q438 VanDerWaalsContact C-N 3.31Å; P436-Q438 PolarHBondContact O-N 3.21Å
439	V	47.6	Very low	67.6	Low	36 Å²	36	80.8 Å²	80.8	22%	0.218	42%	0.421	C	S	.	.			trans	-127.3	107	163.7	-138.4	0	0	0	0	108.9	R441 I442	V439-R441 PolarHBondContact O-N 2.87Å; V439-I442 HydrophobicContact CB-CD1 3.38Å; V439-I442 HydrophobicContact CB-CG1 3.48Å; V439-I442 VanDerWaalsContact CB-CG1 3.48Å; V439-I442 HydrophobicContact CG1-CB 4.41Å; V439-I442 HydrophobicContact CG1-CD1 3.42Å; V439-I442 VanDerWaalsContact CG1-CD1 3.42Å; V439-I442 HydrophobicContact CG1-CG1 3.34Å; V439-I442 HydrophobicContact CG1-CG2 4.45Å; V439-I442 HydrophobicContact CG2-CD1 3.64Å; V439-I442 HydrophobicContact CG2-CG1 4.32Å
440	K	42.3	Very low	67.6	Low	200 Å²	200	83.4 Å²	83.4	87%	0.87	44%	0.438	S	S	*	.	S	Bend	trans	-49.4	137.3	160.5	-77.2	179	175.7	177.7	0	107.8	I442	K440-I442 PolarHBondContact O-N 3.43Å
441	R	41.9	Very low	67.5	Low	188 Å²	188	81.7 Å²	81.7	71%	0.709	43%	0.43	S	S	*	.	S	Bend	trans	-19.4	98.9	-178	-164.2	174.3	177.1	160.4	-1.7	113.4	V439 V443	V439-R441 PolarHBondContact O-N 2.87Å; R441-V443 PolarHBondContact O-N 2.95Å
442	I	46.8	Very low	67.7	Low	15 Å²	15	81.1 Å²	81.1	8%	0.077	43%	0.425	C	S	.	.			trans	-81.8	88	-165.8	-37.7	-179.7	0	0	0	114.9	V439 K440 G444 R446 K610 R646	V439-I442 HydrophobicContact CB-CD1 3.38Å; V439-I442 HydrophobicContact CB-CG1 3.48Å; V439-I442 VanDerWaalsContact CB-CG1 3.48Å; V439-I442 HydrophobicContact CG1-CB 4.41Å; V439-I442 HydrophobicContact CG1-CD1 3.42Å; V439-I442 VanDerWaalsContact CG1-CD1 3.42Å; V439-I442 HydrophobicContact CG1-CG1 3.34Å; V439-I442 HydrophobicContact CG1-CG2 4.45Å; V439-I442 HydrophobicContact CG2-CD1 3.64Å; V439-I442 HydrophobicContact CG2-CG1 4.32Å; K440-I442 PolarHBondContact O-N 3.43Å; I442-G444 PolarHBondContact O-N 3.28Å; I442-R446 HydrophobicContact CG2-CG 3.94Å; I442-K610 HydrophobicContact CD1-CB 3.92Å; I442-R646 WeakPolarHBondContact O-CD 3.37Å; I442-R646 PolarHBondContact O-NE 2.92Å; I442-R646 PolarHBondContact O-NH1 3.04Å; I442-R646 PolarHBondContact O-NH2 2.85Å; I442-R646 VanDerWaalsContact O-NH2 3.12Å
443	V	41.2	Very low	68.2	Low	130 Å²	130	79.7 Å²	79.7	79%	0.788	41%	0.413	S	S	*	.			trans	-74.6	122.1	179.3	-171.4	0	0	0	0	111	R441 R646	R441-V443 PolarHBondContact O-N 2.95Å; V443-R646 VanDerWaalsContact CA-NH2 3.29Å
444	G	52.9	Low	68.7	Low	33 Å²	33	74.1 Å²	74.1	34%	0.34	39%	0.393	S	S	.	.	S	Bend	trans	80.7	146.3	-176.9	0	0	0	0	0	113.4	I442	I442-G444 PolarHBondContact O-N 3.28Å
445	G	65.3	Low	69.4	Low	49 Å²	49	69.2 Å²	69.2	51%	0.505	36%	0.361	S	S	.	.			trans	-55.7	154.4	175.1	0	0	0	0	0	112.7
446	R	75.4	Confident	70.4	Confident	113 Å²	113	68.8 Å²	68.8	43%	0.426	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.5	177.8	-73.5	-172.6	172.1	-160.9	-1.5	111.4	I442 S448 Q607 Y608	I442-R446 HydrophobicContact CG2-CG 3.94Å; R446-S448 PolarHBondContact O-N 2.86Å; R446-Q607 CarbonylContact O-C 3.51Å; R446-Q607 VanDerWaalsContact O-CA 3.27Å; R446-Q607 WeakPolarHBondContact O-CA 3.14Å; R446-Q607 PolarHBondContact O-OE1 3.34Å; R446-Y608 HydrophobicContact CB-CD1 4.37Å; R446-Y608 HydrophobicContact CB-CE1 3.86Å; R446-Y608 PolarHBondContact N-O 3.14Å; R446-Y608 WeakPolarHBondContact O-CD1 3.23Å; R446-Y608 PolarHBondContact O-N 3.02Å
447	S	80.1	Confident	71.7	Confident	68 Å²	68	65.7 Å²	65.7	48%	0.476	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	130.5	168.7	-61.4	0	0	0	0	110.2	Q607	S447-Q607 PolarHBondContact OG-NE2 2.96Å; S447-Q607 VanDerWaalsContact OG-NE2 3.11Å
448	S	84.3	Confident	73.5	Confident	7 Å²	7	58 Å²	58	5%	0.049	30%	0.303	C	S	.	.			trans	-70.2	166.9	170.1	-176.3	0	0	0	0	110.3	R446 H515 L606	R446-S448 PolarHBondContact O-N 2.86Å; S448-H515 VanDerWaalsContact C-CE1 3.41Å; S448-H515 PolarHBondContact O-CE1 3.39Å; S448-H515 PolarHBondContact O-NE2 3.17Å; S448-L606 VanDerWaalsContact CB-O 3.23Å; S448-L606 WeakPolarHBondContact CB-O 2.97Å; S448-L606 PolarHBondContact N-O 2.94Å
449	E	86.3	Confident	75.4	Confident	90 Å²	90	49.4 Å²	49.4	42%	0.421	26%	0.263	S	S	.	.			trans	-110.4	156.5	161.7	-65.2	-176.8	-167.1	0	0	110.4	R433 G451 F452	R433-E449 IonicContact CZ-OE2 3.19Å; R433-E449 IonicContact NH1-OE2 3.67Å; R433-E449 PolarHBondContact NH1-OE2 2.88Å; E449-G451 PolarHBondContact O-N 3.04Å; E449-F452 HydrophobicContact CB-CD1 4.05Å; E449-F452 HydrophobicContact CB-CD2 4.29Å; E449-F452 HydrophobicContact CB-CE1 3.85Å; E449-F452 HydrophobicContact CB-CE2 4.1Å; E449-F452 HydrophobicContact CB-CG 4.27Å; E449-F452 HydrophobicContact CB-CZ 3.87Å; E449-F452 HydrophobicContact CG-CE1 4.3Å; E449-F452 HydrophobicContact CG-CE2 4.12Å; E449-F452 HydrophobicContact CG-CZ 3.87Å; E449-F452 PolarHBondContact O-N 2.86Å
450	P	87.1	Confident	77.4	Confident	55 Å²	55	48.2 Å²	48.2	36%	0.357	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	124.9	172.1	-25.3	34.3	0	0	0	111.7	R433 H515 L560	R433-P450 WeakPolarHBondContact CD-O 3.24Å; P450-H515 HydrophobicContact CG-CB 4.42Å; P450-L560 HydrophobicContact CB-CD2 3.71Å
451	G	85.2	Confident	79.7	Confident	6 Å²	6	38.7 Å²	38.7	6%	0.062	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	-4.3	179.1	0	0	0	0	0	116.2	S432 R433 E449	S432-G451 PolarHBondContact N-O 2.98Å; S432-G451 VanDerWaalsContact OG-CA 3.27Å; S432-G451 WeakPolarHBondContact OG-CA 3.5Å; S432-G451 PolarHBondContact OG-O 3.38Å; R433-G451 PolarHBondContact N-O 3.5Å; E449-G451 PolarHBondContact O-N 3.04Å
452	F	90.5	Very high	81.9	Confident	14 Å²	14	31.7 Å²	31.7	6%	0.061	19%	0.19	C	C	.	.	S	Bend	trans	-67.9	-41.4	172.2	-81.4	11.6	0	0	0	112.5	P431 R433 L435 P436 E449 Y608	P431-F452 WeakPolarHBondContact CB-O 3.31Å; R433-F452 HydrophobicContact CB-CD1 3.74Å; R433-F452 HydrophobicContact CB-CE1 3.9Å; L435-F452 HydrophobicContact CD2-CB 3.89Å; L435-F452 HydrophobicContact CD2-CD2 3.85Å; L435-F452 HydrophobicContact CD2-CG 3.91Å; P436-F452 HydrophobicContact CG-CE2 4.42Å; P436-F452 HydrophobicContact CG-CZ 4.46Å; E449-F452 HydrophobicContact CB-CD1 4.05Å; E449-F452 HydrophobicContact CB-CD2 4.29Å; E449-F452 HydrophobicContact CB-CE1 3.85Å; E449-F452 HydrophobicContact CB-CE2 4.1Å; E449-F452 HydrophobicContact CB-CG 4.27Å; E449-F452 HydrophobicContact CB-CZ 3.87Å; E449-F452 HydrophobicContact CG-CE1 4.3Å; E449-F452 HydrophobicContact CG-CE2 4.12Å; E449-F452 HydrophobicContact CG-CZ 3.87Å; E449-F452 PolarHBondContact O-N 2.86Å; F452-Y608 HydrophobicContact CD2-CE1 4.38Å
453	F	92.4	Very high	83.6	Confident	12 Å²	12	31.1 Å²	31.1	5%	0.053	19%	0.187	C	C	.	.	S	Bend	trans	-128.1	70.5	-179.1	-58.5	-85.1	0	0	0	110	L435 W455 Q456 L585 A587 Y608 V658	L435-F453 HydrophobicContact CD1-CE1 4.37Å; L435-F453 HydrophobicContact CD2-CE1 4.35Å; L435-F453 HydrophobicContact CD2-CE2 3.97Å; L435-F453 HydrophobicContact CD2-CZ 3.75Å; F453-W455 HydrophobicContact CD1-CZ2 4.13Å; F453-W455 AromaticContact CD1-NE1 3.96Å; F453-W455 PolarHBondContact O-N 2.71Å; F453-W455 VanDerWaalsContact O-N 3.14Å; F453-Q456 HydrophobicContact CB-CB 4.1Å; F453-Q456 VanDerWaalsContact O-CB 3.26Å; F453-Q456 WeakPolarHBondContact O-CB 3.38Å; F453-Q456 PolarHBondContact O-N 3.38Å; F453-L585 HydrophobicContact CE1-CB 4.09Å; F453-L585 HydrophobicContact CE1-CD1 4.21Å; F453-L585 HydrophobicContact CZ-CB 4.28Å; F453-L585 HydrophobicContact CZ-CD1 4.13Å; F453-A587 HydrophobicContact CD1-CB 4.04Å; F453-A587 HydrophobicContact CD2-CB 3.87Å; F453-A587 HydrophobicContact CE1-CB 4.18Å; F453-A587 HydrophobicContact CE2-CB 4.03Å; F453-A587 HydrophobicContact CG-CB 3.89Å; F453-A587 HydrophobicContact CZ-CB 4.17Å; F453-Y608 AromaticContact CE2-CD1 3.96Å; F453-Y608 HydrophobicContact CE2-CD1 3.96Å; F453-Y608 HydrophobicContact CE2-CD2 4.35Å; F453-Y608 AromaticContact CE2-CG 3.71Å; F453-Y608 HydrophobicContact CE2-CG 3.71Å; F453-Y608 HydrophobicContact CZ-CD2 4.09Å; F453-Y608 AromaticContact CZ-CG 3.85Å; F453-Y608 HydrophobicContact CZ-CG 3.85Å; F453-V658 HydrophobicContact CE1-CG2 4.25Å
454	P	92.6	Very high	85.5	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.013	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9	-174.3	33.2	-39.7	0	0	0	113.9	P431 L560 V561 R562	P431-P454 HydrophobicContact CB-CG 4.45Å; P454-L560 VanDerWaalsContact CA-O 3.23Å; P454-L560 WeakPolarHBondContact CA-O 3.25Å; P454-L560 WeakPolarHBondContact CB-O 3.11Å; P454-V561 WeakPolarHBondContact O-CA 3.33Å; P454-R562 CarbonylContact C-O 3.58Å; P454-R562 VanDerWaalsContact C-O 3.27Å; P454-R562 HydrophobicContact CB-CB 3.91Å; P454-R562 HydrophobicContact CB-CG 4.28Å; P454-R562 HydrophobicContact CG-CB 3.87Å; P454-R562 HydrophobicContact CG-CG 4.45Å; P454-R562 PolarHBondContact O-N 2.79Å
455	W	94.6	Very high	86.8	Confident	1 Å²	1	31.4 Å²	31.4	0%	0.004	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.3	172.2	46.7	78.6	0	0	0	113	P431 F453 V457 A477 L478 R562 V564 V658 W665	P431-W455 HydrophobicContact CB-CH2 4.35Å; P431-W455 HydrophobicContact CB-CZ3 4.48Å; F453-W455 HydrophobicContact CD1-CZ2 4.13Å; F453-W455 AromaticContact CD1-NE1 3.96Å; F453-W455 PolarHBondContact O-N 2.71Å; F453-W455 VanDerWaalsContact O-N 3.14Å; W455-V457 PolarHBondContact O-N 3.18Å; W455-A477 CarbonylContact O-C 3.52Å; W455-A477 VanDerWaalsContact O-CA 3.31Å; W455-A477 WeakPolarHBondContact O-CA 3.48Å; W455-L478 HydrophobicContact CB-CB 4.34Å; W455-L478 PolarHBondContact O-N 3.05Å; W455-R562 WeakPolarHBondContact CA-O 3.44Å; W455-R562 WeakPolarHBondContact CB-O 3.48Å; W455-R562 PolarHBondContact N-O 3.23Å; W455-V564 HydrophobicContact CB-CB 3.79Å; W455-V564 HydrophobicContact CB-CG1 4.35Å; W455-V564 HydrophobicContact CD2-CB 3.67Å; W455-V564 HydrophobicContact CD2-CG2 3.91Å; W455-V564 HydrophobicContact CE3-CB 3.98Å; W455-V564 HydrophobicContact CE3-CG2 4.22Å; W455-V564 HydrophobicContact CG-CB 3.59Å; W455-V564 HydrophobicContact CG-CG1 4.4Å; W455-V564 HydrophobicContact CG-CG2 4.2Å; W455-V658 HydrophobicContact CZ2-CG2 4.35Å; W455-W665 HydrophobicContact CH2-CB 3.41Å; W455-W665 VanDerWaalsContact CH2-CB 3.41Å; W455-W665 AromaticContact CH2-CG 3.69Å; W455-W665 HydrophobicContact CH2-CG 3.69Å; W455-W665 HydrophobicContact CZ2-CB 3.89Å; W455-W665 HydrophobicContact CZ2-CG 4.23Å; W455-W665 HydrophobicContact CZ3-CB 4.1Å
456	Q	95	Very high	87.3	Confident	6 Å²	6	33.5 Å²	33.5	3%	0.028	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	130.9	-177.1	-172.2	69.7	17.1	0	0	110.9	F453 A587 W589 L606	F453-Q456 HydrophobicContact CB-CB 4.1Å; F453-Q456 VanDerWaalsContact O-CB 3.26Å; F453-Q456 WeakPolarHBondContact O-CB 3.38Å; F453-Q456 PolarHBondContact O-N 3.38Å; Q456-A587 PolarHBondContact NE2-O 2.82Å; Q456-A587 PolarHBondContact OE1-O 2.97Å; Q456-W589 HydrophobicContact CG-CH2 3.68Å; Q456-W589 HydrophobicContact CG-CZ3 3.7Å; Q456-L606 HydrophobicContact CB-CD2 4.32Å; Q456-L606 HydrophobicContact CG-CD1 3.93Å; Q456-L606 HydrophobicContact CG-CD2 4.04Å
457	V	95.1	Very high	87.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.4	177.1	179.3	0	0	0	0	109.6	W455 L459 S475 G476 L478 I484 V510 L512	W455-V457 PolarHBondContact O-N 3.18Å; V457-L459 HydrophobicContact CG1-CD2 3.65Å; V457-L459 HydrophobicContact CG1-CG 4.11Å; V457-S475 WeakPolarHBondContact O-CA 3.42Å; V457-G476 WeakPolarHBondContact CB-O 3.4Å; V457-G476 PolarHBondContact N-O 2.95Å; V457-G476 PolarHBondContact O-N 3.2Å; V457-L478 HydrophobicContact CG2-CB 4.46Å; V457-I484 HydrophobicContact CB-CG2 4.32Å; V457-I484 HydrophobicContact CG1-CD1 3.97Å; V457-I484 HydrophobicContact CG1-CG2 4.28Å; V457-I484 HydrophobicContact CG2-CD1 3.84Å; V457-I484 HydrophobicContact CG2-CG1 4.06Å; V457-I484 HydrophobicContact CG2-CG2 3.95Å; V457-V510 HydrophobicContact CG1-CG1 3.56Å; V457-L512 HydrophobicContact CG2-CD2 3.68Å
458	L	93.2	Very high	87.4	Confident	13 Å²	13	37.2 Å²	37.2	7%	0.068	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.6	160.7	178.5	75	0	0	0	109.4	F473 F511 L514 L517 W589	L458-F473 HydrophobicContact CD1-CB 4.48Å; L458-F473 HydrophobicContact CD1-CD1 4.46Å; L458-F511 HydrophobicContact CB-CB 4.26Å; L458-F511 HydrophobicContact CD2-CD2 4.12Å; L458-F511 PolarHBondContact N-O 2.87Å; L458-F511 PolarHBondContact O-N 3.02Å; L458-L514 HydrophobicContact CB-CD2 4.13Å; L458-L514 HydrophobicContact CD2-CD2 3.53Å; L458-L514 HydrophobicContact CG-CD2 4.48Å; L458-L517 HydrophobicContact CD2-CD2 3.67Å; L458-W589 HydrophobicContact CB-CE3 4.39Å; L458-W589 HydrophobicContact CB-CH2 4.21Å; L458-W589 HydrophobicContact CB-CZ3 3.85Å; L458-W589 HydrophobicContact CD1-CE3 3.97Å; L458-W589 HydrophobicContact CD1-CZ3 4.28Å
459	L	92.6	Very high	87.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.2	172.3	-58.7	176.8	0	0	0	108.8	V457 F473 G474 T486 V490 L491 V510 L549	V457-L459 HydrophobicContact CG1-CD2 3.65Å; V457-L459 HydrophobicContact CG1-CG 4.11Å; L459-F473 CarbonylContact O-C 3.23Å; L459-F473 VanDerWaalsContact O-CA 3.27Å; L459-F473 WeakPolarHBondContact O-CA 3.22Å; L459-G474 PolarHBondContact N-O 3.39Å; L459-G474 PolarHBondContact O-N 3.4Å; L459-T486 HydrophobicContact CD1-CG2 3.84Å; L459-V490 HydrophobicContact CD1-CG1 4.08Å; L459-L491 HydrophobicContact CD1-CD2 4.49Å; L459-V510 HydrophobicContact CD2-CG1 4.47Å; L459-V510 HydrophobicContact CD2-CG2 3.87Å; L459-L549 HydrophobicContact CD2-CD1 3.98Å
460	S	90.9	Very high	86.9	Confident	10 Å²	10	40 Å²	40	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115	174.6	179.6	0	0	0	0	108.5	F473 V508 K509	S460-F473 VanDerWaalsContact OG-CE1 3.29Å; S460-F473 WeakPolarHBondContact OG-CE1 3.28Å; S460-V508 WeakPolarHBondContact O-CA 3.48Å; S460-K509 PolarHBondContact N-O 2.99Å; S460-K509 PolarHBondContact O-N 3.47Å
461	V	89.9	Confident	86.8	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.5	-179.1	-170.4	0	0	0	0	109.6	R471 W472 L491 V503 H507 V508	V461-R471 WeakPolarHBondContact O-CA 3.47Å; V461-W472 HydrophobicContact CB-CD2 3.93Å; V461-W472 HydrophobicContact CB-CE3 4.43Å; V461-W472 HydrophobicContact CB-CG 4.35Å; V461-W472 HydrophobicContact CB-CH2 4.41Å; V461-W472 HydrophobicContact CB-CZ2 3.92Å; V461-W472 HydrophobicContact CG1-CD2 4.18Å; V461-W472 HydrophobicContact CG1-CE3 4.37Å; V461-W472 HydrophobicContact CG1-CH2 3.6Å; V461-W472 HydrophobicContact CG1-CZ2 3.37Å; V461-W472 HydrophobicContact CG1-CZ3 4.09Å; V461-W472 HydrophobicContact CG2-CZ2 4.38Å; V461-W472 PolarHBondContact N-O 3.48Å; V461-W472 PolarHBondContact O-N 2.03Å; V461-L491 HydrophobicContact CG2-CD2 4.46Å; V461-V503 HydrophobicContact CG1-CB 4.37Å; V461-V503 HydrophobicContact CG1-CG1 4.11Å; V461-V503 HydrophobicContact CG1-CG2 4.22Å; V461-H507 WeakPolarHBondContact CA-O 3.42Å; V461-V508 HydrophobicContact CG1-CG2 4.24Å; V461-V508 HydrophobicContact CG2-CG1 4.4Å; V461-V508 HydrophobicContact CG2-CG2 4.15Å
462	E	88.6	Confident	86.8	Confident	40 Å²	40	46.6 Å²	46.6	19%	0.187	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	88	177.7	-62.6	177.3	149.9	0	0	107.9	L464 R471 H507 K509	E462-L464 PolarHBondContact O-N 3.08Å; E462-R471 HydrophobicContact CB-CG 4.48Å; E462-R471 HydrophobicContact CG-CG 4.23Å; E462-R471 IonicContact OE1-CZ 2.82Å; E462-R471 IonicContact OE1-NH1 3.59Å; E462-H507 PolarHBondContact N-O 2.89Å; E462-H507 WeakPolarHBondContact O-CB 3.23Å; E462-K509 IonicContact OE2-NZ 3.53Å; E462-K509 PolarHBondContact OE2-NZ 3.08Å
463	D	82.3	Confident	86.7	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	92.1	-176.4	-166.4	-5.1	0	0	0	111.2	S465 D470 W472 S493 H507	D463-S465 VanDerWaalsContact CG-OG 3.32Å; D463-S465 PolarHBondContact O-N 2.82Å; D463-S465 VanDerWaalsContact O-N 3.14Å; D463-S465 WeakPolarHBondContact OD1-CB 3.28Å; D463-S465 PolarHBondContact OD1-N 2.81Å; D463-S465 VanDerWaalsContact OD1-N 3.14Å; D463-S465 PolarHBondContact OD1-OG 3.22Å; D463-S465 PolarHBondContact OD2-OG 3.2Å; D463-D470 PolarHBondContact N-O 3.32Å; D463-W472 HydrophobicContact CB-CH2 3.98Å; D463-W472 HydrophobicContact CB-CZ3 3.85Å; D463-S493 PolarHBondContact OD2-OG 3.32Å; D463-H507 IonicContact OD1-CE1 2.98Å; D463-H507 IonicContact OD1-ND1 3.68Å; D463-H507 PolarHBondContact OD1-ND1 3.24Å; D463-H507 VanDerWaalsContact OD1-ND1 3.13Å
464	L	81.9	Confident	86.5	Confident	94 Å²	94	51.2 Å²	51.2	49%	0.492	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.9	-179.1	-50.8	179	0	0	0	113.6	E462 R466 E469 H507	E462-L464 PolarHBondContact O-N 3.08Å; L464-R466 VanDerWaalsContact C-N 3.29Å; L464-E469 HydrophobicContact CD2-CG 4.09Å; L464-H507 PolarHBondContact N-CE1 3.45Å; L464-H507 PolarHBondContact N-ND1 3.48Å
465	S	79.1	Confident	86.5	Confident	75 Å²	75	51.1 Å²	51.1	52%	0.524	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.9	178.9	73	0	0	0	0	113.9	D463	D463-S465 VanDerWaalsContact CG-OG 3.32Å; D463-S465 PolarHBondContact O-N 2.82Å; D463-S465 VanDerWaalsContact O-N 3.14Å; D463-S465 WeakPolarHBondContact OD1-CB 3.28Å; D463-S465 PolarHBondContact OD1-N 2.81Å; D463-S465 VanDerWaalsContact OD1-N 3.14Å; D463-S465 PolarHBondContact OD1-OG 3.22Å; D463-S465 PolarHBondContact OD2-OG 3.2Å
466	R	76.8	Confident	86.5	Confident	94 Å²	94	51 Å²	51	36%	0.355	26%	0.258	S	S	.	.	S	Bend	trans	-112.5	151.6	-179	-61.6	-63.4	-169.4	-170	-1.4	111.5	L464 P468 E469 Q494	L464-R466 VanDerWaalsContact C-N 3.29Å; R466-P468 CarbonylContact C-O 3.42Å; R466-P468 VanDerWaalsContact C-O 3.23Å; R466-P468 CarbonylContact O-C 3.54Å; R466-E469 WeakPolarHBondContact O-CA 3.46Å; R466-E469 PolarHBondContact O-N 3.47Å; R466-Q494 PolarHBondContact NH2-O 3.24Å
467	V	76.9	Confident	86.5	Confident	151 Å²	151	50.8 Å²	50.8	92%	0.915	26%	0.257	S	S	*	.	S	Bend	trans	-128.3	116.2	175.2	-176.6	0	0	0	0	109.2
468	P	80.8	Confident	86.5	Confident	108 Å²	108	50.8 Å²	50.8	70%	0.701	26%	0.257	S	S	*	.	S	Bend	cis	-63	161.4	-6.3	29.8	-35	0	0	0	112.4	R466 D470	R466-P468 CarbonylContact C-O 3.42Å; R466-P468 VanDerWaalsContact C-O 3.23Å; R466-P468 CarbonylContact O-C 3.54Å; P468-D470 PolarHBondContact O-N 2.91Å
469	E	79	Confident	86.5	Confident	95 Å²	95	50.1 Å²	50.1	44%	0.444	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-59.3	129.3	177.7	-64.6	173	-171.5	0	0	110.5	L464 R466 R471	L464-E469 HydrophobicContact CD2-CG 4.09Å; R466-E469 WeakPolarHBondContact O-CA 3.46Å; R466-E469 PolarHBondContact O-N 3.47Å; E469-R471 IonicContact OE2-CZ 3.36Å; E469-R471 IonicContact OE2-NE 2.69Å; E469-R471 PolarHBondContact OE2-NE 2.84Å; E469-R471 IonicContact OE2-NH2 3.02Å; E469-R471 PolarHBondContact OE2-NH2 2.79Å
470	D	80.9	Confident	86.3	Confident	59 Å²	59	50.8 Å²	50.8	32%	0.316	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.5	174.2	-75.4	-28.8	0	0	0	109.6	D463 P468 W472	D463-D470 PolarHBondContact N-O 3.32Å; P468-D470 PolarHBondContact O-N 2.91Å; D470-W472 HydrophobicContact CB-CE3 4.38Å; D470-W472 HydrophobicContact CB-CZ3 4.01Å
471	R	84.4	Confident	86.1	Confident	154 Å²	154	53.5 Å²	53.5	58%	0.581	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.6	-179.6	-61.7	-172.5	178.6	-169	-0.7	111.4	V461 E462 E469	V461-R471 WeakPolarHBondContact O-CA 3.47Å; E462-R471 HydrophobicContact CB-CG 4.48Å; E462-R471 HydrophobicContact CG-CG 4.23Å; E462-R471 IonicContact OE1-CZ 2.82Å; E462-R471 IonicContact OE1-NH1 3.59Å; E469-R471 IonicContact OE2-CZ 3.36Å; E469-R471 IonicContact OE2-NE 2.69Å; E469-R471 PolarHBondContact OE2-NE 2.84Å; E469-R471 IonicContact OE2-NH2 3.02Å; E469-R471 PolarHBondContact OE2-NH2 2.79Å
472	W	86.1	Confident	86.2	Confident	47 Å²	47	54.9 Å²	54.9	18%	0.178	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	165.6	173.5	66.9	96.8	0	0	0	111.3	V461 D463 D470 V490 V503	V461-W472 HydrophobicContact CB-CD2 3.93Å; V461-W472 HydrophobicContact CB-CE3 4.43Å; V461-W472 HydrophobicContact CB-CG 4.35Å; V461-W472 HydrophobicContact CB-CH2 4.41Å; V461-W472 HydrophobicContact CB-CZ2 3.92Å; V461-W472 HydrophobicContact CG1-CD2 4.18Å; V461-W472 HydrophobicContact CG1-CE3 4.37Å; V461-W472 HydrophobicContact CG1-CH2 3.6Å; V461-W472 HydrophobicContact CG1-CZ2 3.37Å; V461-W472 HydrophobicContact CG1-CZ3 4.09Å; V461-W472 HydrophobicContact CG2-CZ2 4.38Å; V461-W472 PolarHBondContact N-O 3.48Å; V461-W472 PolarHBondContact O-N 2.03Å; D463-W472 HydrophobicContact CB-CH2 3.98Å; D463-W472 HydrophobicContact CB-CZ3 3.85Å; D470-W472 HydrophobicContact CB-CE3 4.38Å; D470-W472 HydrophobicContact CB-CZ3 4.01Å; W472-V490 PolarHBondContact NE1-O 3.25Å; W472-V503 HydrophobicContact CH2-CG1 3.76Å; W472-V503 HydrophobicContact CZ2-CG1 3.68Å
473	F	86.9	Confident	86.5	Confident	122 Å²	122	54 Å²	54	54%	0.535	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.3	178.1	-59.1	-86	0	0	0	110.1	L458 L459 S460	L458-F473 HydrophobicContact CD1-CB 4.48Å; L458-F473 HydrophobicContact CD1-CD1 4.46Å; L459-F473 CarbonylContact O-C 3.23Å; L459-F473 VanDerWaalsContact O-CA 3.27Å; L459-F473 WeakPolarHBondContact O-CA 3.22Å; S460-F473 VanDerWaalsContact OG-CE1 3.29Å; S460-F473 WeakPolarHBondContact OG-CE1 3.28Å
474	G	89.3	Confident	87.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	176.4	170.9	0	0	0	0	0	110.9	L459	L459-G474 PolarHBondContact N-O 3.39Å; L459-G474 PolarHBondContact O-N 3.4Å
475	S	91.8	Very high	87.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	160.9	176.8	-69.3	0	0	0	0	110.3	V457 T486 S653 G654 G655	V457-S475 WeakPolarHBondContact O-CA 3.42Å; S475-T486 PolarHBondContact O-OG1 2.98Å; S475-S653 PolarHBondContact N-O 3.2Å; S475-G654 CarbonylContact O-C 3.56Å; S475-G654 WeakPolarHBondContact O-CA 3.47Å; S475-G654 VanDerWaalsContact O-O 3.1Å; S475-G655 VanDerWaalsContact CB-CA 3.46Å
476	G	94.4	Very high	88.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	177.9	173.2	0	0	0	0	0	111.8	V457 L485	V457-G476 WeakPolarHBondContact CB-O 3.4Å; V457-G476 PolarHBondContact N-O 2.95Å; V457-G476 PolarHBondContact O-N 3.2Å; G476-L485 CarbonylContact C-O 3.54Å; G476-L485 WeakPolarHBondContact CA-O 3.12Å
477	A	96.1	Very high	89.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.1	176.3	0	0	0	0	0	112	W455 L479 I484 L485 V564 A656	W455-A477 CarbonylContact O-C 3.52Å; W455-A477 VanDerWaalsContact O-CA 3.31Å; W455-A477 WeakPolarHBondContact O-CA 3.48Å; A477-L479 PolarHBondContact O-N 3.26Å; A477-I484 CarbonylContact O-C 3.54Å; A477-I484 WeakPolarHBondContact O-CA 3.48Å; A477-L485 PolarHBondContact N-O 3.12Å; A477-L485 PolarHBondContact O-N 2.94Å; A477-V564 HydrophobicContact CB-CG1 3.89Å; A477-A656 HydrophobicContact CB-CB 3.75Å
478	L	95.3	Very high	90.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	123.4	176.5	-168	67.4	0	0	0	110.6	W455 V457 S480 I484 L512 F557 V561 P563 V564	W455-L478 HydrophobicContact CB-CB 4.34Å; W455-L478 PolarHBondContact O-N 3.05Å; V457-L478 HydrophobicContact CG2-CB 4.46Å; L478-S480 WeakPolarHBondContact CD1-O 3.18Å; L478-S480 VanDerWaalsContact CG-O 3.29Å; L478-S480 WeakPolarHBondContact CG-O 3.4Å; L478-I484 HydrophobicContact CD1-CD1 4.32Å; L478-I484 HydrophobicContact CD1-CG1 3.74Å; L478-L512 HydrophobicContact CB-CD2 4.36Å; L478-L512 HydrophobicContact CD1-CD2 3.97Å; L478-L512 HydrophobicContact CD2-CD2 4.1Å; L478-L512 HydrophobicContact CG-CD2 4.39Å; L478-F557 HydrophobicContact CD2-CD1 4.38Å; L478-F557 HydrophobicContact CD2-CE1 3.77Å; L478-V561 HydrophobicContact CD2-CG1 3.66Å; L478-P563 CarbonylContact O-C 3.6Å; L478-P563 WeakPolarHBondContact O-CA 3.19Å; L478-V564 PolarHBondContact O-N 3.04Å
479	L	92.2	Very high	91.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.14	C	C	.	.			trans	-98.7	-33.4	177.3	-63.4	-174.4	0	0	0	112.7	A477 W483 L485 L548 P563 V564 L566 V667 I698 V702 W708	A477-L479 PolarHBondContact O-N 3.26Å; L479-W483 HydrophobicContact CB-CB 4.45Å; L479-W483 PolarHBondContact N-O 3.36Å; L479-L485 HydrophobicContact CD1-CB 3.89Å; L479-L485 HydrophobicContact CD2-CB 4.06Å; L479-L485 HydrophobicContact CD2-CD2 4.35Å; L479-L485 HydrophobicContact CG-CB 3.89Å; L479-L548 HydrophobicContact CD1-CD2 3.93Å; L479-P563 VanDerWaalsContact O-CB 3.26Å; L479-P563 WeakPolarHBondContact O-CB 3.26Å; L479-V564 HydrophobicContact CD2-CG1 4.07Å; L479-L566 HydrophobicContact CD1-CD2 4.4Å; L479-L566 HydrophobicContact CD2-CD2 3.89Å; L479-L566 HydrophobicContact CD2-CG 4.46Å; L479-V667 HydrophobicContact CD2-CG1 4.37Å; L479-I698 HydrophobicContact CD1-CG2 3.86Å; L479-V702 HydrophobicContact CD1-CG2 4.45Å; L479-W708 HydrophobicContact CB-CH2 4.29Å; L479-W708 HydrophobicContact CB-CZ3 4.32Å
480	S	88.1	Confident	91.8	Very high	14 Å²	14	26.5 Å²	26.5	10%	0.098	12%	0.119	C	C	.	.	S	Bend	trans	-152.1	-172.2	177.9	74.3	0	0	0	0	110.2	L478 S482 W483	L478-S480 WeakPolarHBondContact CD1-O 3.18Å; L478-S480 VanDerWaalsContact CG-O 3.29Å; L478-S480 WeakPolarHBondContact CG-O 3.4Å; S480-S482 PolarHBondContact O-N 3.18Å; S480-S482 VanDerWaalsContact O-N 3.13Å; S480-S482 PolarHBondContact OG-N 3.19Å; S480-W483 PolarHBondContact N-O 3.18Å; S480-W483 PolarHBondContact OG-N 3.05Å
481	Q	88.4	Confident	92.4	Very high	66 Å²	66	23.7 Å²	23.7	31%	0.308	10%	0.104	S	C	.	.	S	Bend	trans	-60.3	-23.2	176.9	-67.4	-179	-60.8	0	0	112.3	A554 A555 F557	Q481-A554 HydrophobicContact CB-CB 4.04Å; Q481-A554 CarbonylContact O-C 3.59Å; Q481-A554 WeakPolarHBondContact O-CA 3.4Å; Q481-A555 WeakPolarHBondContact O-CB 3.21Å; Q481-A555 PolarHBondContact O-N 3.07Å; Q481-F557 HydrophobicContact CB-CE1 4.48Å; Q481-F557 HydrophobicContact CB-CZ 4.14Å; Q481-F557 HydrophobicContact CG-CD1 4.38Å; Q481-F557 HydrophobicContact CG-CD2 3.79Å; Q481-F557 HydrophobicContact CG-CE1 3.87Å; Q481-F557 HydrophobicContact CG-CE2 3.28Å; Q481-F557 HydrophobicContact CG-CG 4.37Å; Q481-F557 HydrophobicContact CG-CZ 3.34Å
482	S	92	Very high	92.7	Very high	31 Å²	31	18.7 Å²	18.7	22%	0.217	9%	0.086	C	C	.	.	S	Bend	trans	-127.3	-0.8	-172.8	-57.3	0	0	0	0	114.6	S480 R550 L551	S480-S482 PolarHBondContact O-N 3.18Å; S480-S482 VanDerWaalsContact O-N 3.13Å; S480-S482 PolarHBondContact OG-N 3.19Å; S482-R550 CarbonylContact O-C 3.6Å; S482-R550 VanDerWaalsContact O-CA 3.28Å; S482-R550 WeakPolarHBondContact O-CA 3.34Å; S482-L551 PolarHBondContact O-N 3.18Å
483	W	94.6	Very high	92.8	Very high	22 Å²	22	16.8 Å²	16.8	8%	0.083	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.6	-172.7	-71.6	94.8	0	0	0	112.8	L479 S480 L548 L549 R550 H701 V702	L479-W483 HydrophobicContact CB-CB 4.45Å; L479-W483 PolarHBondContact N-O 3.36Å; S480-W483 PolarHBondContact N-O 3.18Å; S480-W483 PolarHBondContact OG-N 3.05Å; W483-L548 HydrophobicContact CE3-CB 4.06Å; W483-L548 HydrophobicContact CZ3-CB 3.94Å; W483-L548 HydrophobicContact CZ3-CD1 4.46Å; W483-L549 WeakPolarHBondContact CA-O 3.24Å; W483-R550 HydrophobicContact CD2-CB 4.27Å; W483-R550 HydrophobicContact CD2-CG 4.29Å; W483-R550 HydrophobicContact CE3-CB 4.02Å; W483-R550 HydrophobicContact CH2-CB 3.94Å; W483-R550 HydrophobicContact CH2-CG 4.28Å; W483-R550 HydrophobicContact CZ2-CB 4.18Å; W483-R550 HydrophobicContact CZ2-CG 4.01Å; W483-R550 HydrophobicContact CZ3-CB 3.85Å; W483-H701 HydrophobicContact CH2-CB 4.32Å; W483-H701 VanDerWaalsContact CZ2-O 3.26Å; W483-H701 WeakPolarHBondContact CZ2-O 3.34Å; W483-V702 HydrophobicContact CB-CG1 3.83Å; W483-V702 HydrophobicContact CB-CG2 4.13Å; W483-V702 HydrophobicContact CD2-CB 4.41Å; W483-V702 HydrophobicContact CD2-CG1 4.32Å; W483-V702 HydrophobicContact CD2-CG2 3.88Å; W483-V702 HydrophobicContact CE3-CG2 4.11Å; W483-V702 HydrophobicContact CG-CB 4.22Å; W483-V702 HydrophobicContact CG-CG1 3.64Å; W483-V702 HydrophobicContact CG-CG2 3.92Å
484	I	96.7	Very high	92.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.4	179.7	-66.2	170.4	0	0	0	109.2	V457 A477 L478 V510 L548 L549 L551	V457-I484 HydrophobicContact CB-CG2 4.32Å; V457-I484 HydrophobicContact CG1-CD1 3.97Å; V457-I484 HydrophobicContact CG1-CG2 4.28Å; V457-I484 HydrophobicContact CG2-CD1 3.84Å; V457-I484 HydrophobicContact CG2-CG1 4.06Å; V457-I484 HydrophobicContact CG2-CG2 3.95Å; A477-I484 CarbonylContact O-C 3.54Å; A477-I484 WeakPolarHBondContact O-CA 3.48Å; L478-I484 HydrophobicContact CD1-CD1 4.32Å; L478-I484 HydrophobicContact CD1-CG1 3.74Å; I484-V510 HydrophobicContact CD1-CG1 3.37Å; I484-V510 HydrophobicContact CD1-CG2 4.39Å; I484-L548 WeakPolarHBondContact O-CA 3.29Å; I484-L549 HydrophobicContact CB-CB 4.3Å; I484-L549 HydrophobicContact CB-CD2 4.45Å; I484-L549 HydrophobicContact CD1-CD2 4.25Å; I484-L549 PolarHBondContact N-O 3Å; I484-L549 PolarHBondContact O-N 2.65Å; I484-L551 HydrophobicContact CD1-CD1 4.31Å; I484-L551 HydrophobicContact CD1-CD2 3.75Å; I484-L551 HydrophobicContact CD1-CG 4.24Å
485	L	97.3	Very high	92.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.9	174.8	-172.8	65.1	0	0	0	110.5	G476 A477 L479 I546 L548 V667 L670 V691 I698	G476-L485 CarbonylContact C-O 3.54Å; G476-L485 WeakPolarHBondContact CA-O 3.12Å; A477-L485 PolarHBondContact N-O 3.12Å; A477-L485 PolarHBondContact O-N 2.94Å; L479-L485 HydrophobicContact CD1-CB 3.89Å; L479-L485 HydrophobicContact CD2-CB 4.06Å; L479-L485 HydrophobicContact CD2-CD2 4.35Å; L479-L485 HydrophobicContact CG-CB 3.89Å; L485-I546 HydrophobicContact CD1-CD1 3.96Å; L485-I546 HydrophobicContact CD1-CG1 3.84Å; L485-L548 HydrophobicContact CD1-CD2 3.8Å; L485-V667 HydrophobicContact CD2-CG1 3.93Å; L485-V667 HydrophobicContact CD2-CG2 4.27Å; L485-L670 HydrophobicContact CD1-CD1 4.16Å; L485-L670 HydrophobicContact CD2-CD1 4.13Å; L485-L670 HydrophobicContact CD2-CD2 4Å; L485-L670 HydrophobicContact CD2-CG 4.39Å; L485-L670 HydrophobicContact CG-CD1 3.84Å; L485-L670 HydrophobicContact CG-CD2 3.96Å; L485-L670 HydrophobicContact CG-CG 4.43Å; L485-V691 HydrophobicContact CD2-CG1 4.21Å; L485-V691 HydrophobicContact CD2-CG2 4.24Å; L485-I698 HydrophobicContact CD1-CD1 4.09Å; L485-I698 HydrophobicContact CD1-CG1 4.41Å; L485-I698 HydrophobicContact CD2-CD1 4.47Å
486	T	96.9	Very high	91.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	-178.8	175.5	-171.2	0	0	0	0	110.8	L459 S475 L491 A547 L670	L459-T486 HydrophobicContact CD1-CG2 3.84Å; S475-T486 PolarHBondContact O-OG1 2.98Å; T486-L491 HydrophobicContact CG2-CD1 3.53Å; T486-L491 HydrophobicContact CG2-CG 4Å; T486-A547 HydrophobicContact CG2-CB 4.26Å; T486-A547 PolarHBondContact N-O 3.02Å; T486-A547 PolarHBondContact O-N 3.29Å; T486-A547 VanDerWaalsContact O-O 3.07Å; T486-L670 WeakPolarHBondContact O-CD1 3.1Å
487	A	95.9	Very high	90.8	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.167	C	C	.	.			trans	-81.7	145.9	175.1	0	0	0	0	0	111.4	H489 V490	A487-H489 VanDerWaalsContact C-N 3.33Å; A487-H489 PolarHBondContact O-N 2.81Å; A487-V490 HydrophobicContact CB-CG2 4.13Å; A487-V490 WeakPolarHBondContact O-CB 3.47Å; A487-V490 PolarHBondContact O-N 2.05Å
488	A	96.3	Very high	89.9	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-36.6	179.6	0	0	0	0	0	112.6	V490 L491 R492 L533 F537 D545 A547	A488-V490 PolarHBondContact O-N 3.48Å; A488-L491 CarbonylContact O-C 3.58Å; A488-L491 PolarHBondContact O-N 3.2Å; A488-R492 PolarHBondContact O-N 3.45Å; A488-L533 HydrophobicContact CB-CD2 4.22Å; A488-F537 HydrophobicContact CB-CB 4.16Å; A488-F537 HydrophobicContact CB-CD1 3.57Å; A488-F537 HydrophobicContact CB-CD2 3.86Å; A488-F537 HydrophobicContact CB-CE1 3.83Å; A488-F537 HydrophobicContact CB-CE2 4.15Å; A488-F537 HydrophobicContact CB-CG 3.58Å; A488-F537 HydrophobicContact CB-CZ 4.15Å; A488-D545 WeakPolarHBondContact CA-OD1 3.4Å; A488-D545 WeakPolarHBondContact CB-OD1 3.5Å; A488-D545 PolarHBondContact N-OD1 2.81Å; A488-A547 HydrophobicContact CB-CB 4.31Å
489	H	91.4	Very high	89.5	Confident	39 Å²	39	44.9 Å²	44.9	18%	0.181	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-26.5	179.9	81	-99	0	0	0	112.7	A487 L491 F537 Y542 D545 S653 S672	A487-H489 VanDerWaalsContact C-N 3.33Å; A487-H489 PolarHBondContact O-N 2.81Å; H489-L491 VanDerWaalsContact C-N 3.3Å; H489-F537 HydrophobicContact CB-CZ 3.85Å; H489-Y542 HydrophobicContact CB-CD1 4.06Å; H489-Y542 HydrophobicContact CB-CE1 3.63Å; H489-Y542 AromaticContact CG-CE1 3.74Å; H489-D545 IonicContact CE1-OD2 3.74Å; H489-D545 IonicContact CG-OD1 3.56Å; H489-D545 IonicContact CG-OD2 2.75Å; H489-D545 PolarHBondContact N-OD1 2.86Å; H489-D545 IonicContact ND1-OD1 2.79Å; H489-D545 PolarHBondContact ND1-OD1 2.85Å; H489-D545 IonicContact ND1-OD2 2.68Å; H489-D545 PolarHBondContact ND1-OD2 3.47Å; H489-S653 VanDerWaalsContact NE2-CB 3.26Å; H489-S653 WeakPolarHBondContact NE2-CB 3.49Å; H489-S653 PolarHBondContact NE2-OG 3.02Å; H489-S653 VanDerWaalsContact NE2-OG 3.15Å; H489-S672 PolarHBondContact CE1-O 2.96Å; H489-S672 PolarHBondContact ND1-O 2.75Å
490	V	92.1	Very high	89.4	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-34.2	176.2	174.8	0	0	0	0	110.9	L459 W472 A487 A488	L459-V490 HydrophobicContact CD1-CG1 4.08Å; W472-V490 PolarHBondContact NE1-O 3.25Å; A487-V490 HydrophobicContact CB-CG2 4.13Å; A487-V490 WeakPolarHBondContact O-CB 3.47Å; A487-V490 PolarHBondContact O-N 2.05Å; A488-V490 PolarHBondContact O-N 3.48Å
491	L	93.9	Very high	89.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-108.1	7.1	-174.3	-62.4	-179.2	0	0	0	113.2	L459 V461 T486 A488 H489 P502 V503 V508 I531 L533 A547 L549	L459-L491 HydrophobicContact CD1-CD2 4.49Å; V461-L491 HydrophobicContact CG2-CD2 4.46Å; T486-L491 HydrophobicContact CG2-CD1 3.53Å; T486-L491 HydrophobicContact CG2-CG 4Å; A488-L491 CarbonylContact O-C 3.58Å; A488-L491 PolarHBondContact O-N 3.2Å; H489-L491 VanDerWaalsContact C-N 3.3Å; L491-P502 CarbonylContact O-C 3.57Å; L491-P502 VanDerWaalsContact O-CA 3.29Å; L491-P502 WeakPolarHBondContact O-CA 3.34Å; L491-V503 HydrophobicContact CB-CG2 4.49Å; L491-V503 HydrophobicContact CD2-CG2 4.3Å; L491-V503 PolarHBondContact O-N 2.94Å; L491-V508 HydrophobicContact CD2-CG1 4.32Å; L491-V508 HydrophobicContact CD2-CG2 4.19Å; L491-I531 HydrophobicContact CB-CG2 3.96Å; L491-I531 HydrophobicContact CD1-CG1 4.48Å; L491-I531 HydrophobicContact CD1-CG2 3.82Å; L491-I531 HydrophobicContact CD2-CD1 4.43Å; L491-I531 HydrophobicContact CG-CG2 4.47Å; L491-L533 HydrophobicContact CB-CD2 3.83Å; L491-A547 HydrophobicContact CD1-CB 4.2Å; L491-L549 HydrophobicContact CD1-CB 4.34Å; L491-L549 HydrophobicContact CD1-CD1 4.12Å; L491-L549 HydrophobicContact CD2-CD1 4.41Å
492	R	91.6	Very high	89.8	Confident	49 Å²	49	48.6 Å²	48.6	19%	0.185	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-84.8	131.4	175.1	-167.4	-170.5	72.8	113.4	-4.6	110.4	A488 V500 L533 F537	A488-R492 PolarHBondContact O-N 3.45Å; R492-V500 HydrophobicContact CG-CG1 4.41Å; R492-L533 HydrophobicContact CB-CD1 4.39Å; R492-L533 HydrophobicContact CG-CD1 4.45Å; R492-F537 HydrophobicContact CB-CE1 4.37Å
493	S	88.3	Confident	89.8	Confident	7 Å²	7	47.2 Å²	47.2	5%	0.049	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-68.3	131.3	169.7	-178.7	0	0	0	0	110.3	D463 R495 V501	D463-S493 PolarHBondContact OD2-OG 3.32Å; S493-R495 PolarHBondContact O-N 3.33Å; S493-V501 PolarHBondContact N-O 3.31Å
494	Q	82.1	Confident	89.7	Confident	112 Å²	112	49.4 Å²	49.4	52%	0.523	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-71.5	123.2	179	-62.1	-170.1	17	0	0	110.2	R466	R466-Q494 PolarHBondContact NH2-O 3.24Å
495	R	79.8	Confident	89.6	Confident	112 Å²	112	51.1 Å²	51.1	42%	0.423	26%	0.262	S	S	.	.			trans	-137.9	159.5	179.1	-56.6	-172.2	168.3	-142.5	-2.4	111.8	S493 D497	S493-R495 PolarHBondContact O-N 3.33Å; R495-D497 WeakPolarHBondContact CB-OD1 3.44Å
496	R	76.4	Confident	89.3	Confident	266 Å²	266	58.6 Å²	58.6	100%	1.004	30%	0.296	S	S	*	.	S	Bend	trans	-82.2	-25.3	178.2	-69.2	-171.2	-177.6	-157.8	1.3	112.9
497	D	81.8	Confident	89.1	Confident	78 Å²	78	60 Å²	60	42%	0.417	30%	0.303	S	S	.	.	S	Bend	trans	-87	163.1	173.3	62.6	-32.8	0	0	0	111	R495 T499	R495-D497 WeakPolarHBondContact CB-OD1 3.44Å; D497-T499 PolarHBondContact O-N 2.89Å; D497-T499 VanDerWaalsContact O-N 3.12Å; D497-T499 PolarHBondContact OD1-OG1 3.13Å; D497-T499 WeakPolarHBondContact OD2-CB 3.14Å; D497-T499 WeakPolarHBondContact OD2-CG2 3.26Å; D497-T499 PolarHBondContact OD2-OG1 3.22Å
498	A	76.7	Confident	89	Confident	85 Å²	85	60.1 Å²	60.1	70%	0.702	30%	0.304	S	S	*	.	S	Bend	trans	-76.3	9.6	-177.8	0	0	0	0	0	113.8
499	T	86.6	Confident	88.8	Confident	60 Å²	60	64.8 Å²	64.8	37%	0.368	32%	0.324	S	S	.	.			trans	-71.7	136.8	-178.7	58.8	0	0	0	0	111.1	D497	D497-T499 PolarHBondContact O-N 2.89Å; D497-T499 VanDerWaalsContact O-N 3.12Å; D497-T499 PolarHBondContact OD1-OG1 3.13Å; D497-T499 WeakPolarHBondContact OD2-CB 3.14Å; D497-T499 WeakPolarHBondContact OD2-CG2 3.26Å; D497-T499 PolarHBondContact OD2-OG1 3.22Å
500	V	90.3	Very high	89	Confident	55 Å²	55	63 Å²	63	33%	0.333	32%	0.315	S	S	.	.			trans	-103.5	103.5	178.3	-179.3	0	0	0	0	107.7	R492 L533 F537 P539	R492-V500 HydrophobicContact CG-CG1 4.41Å; V500-L533 HydrophobicContact CG1-CD1 3.81Å; V500-F537 HydrophobicContact CG1-CD1 3.83Å; V500-P539 HydrophobicContact CG2-CG 4.08Å
501	V	91	Very high	89.1	Confident	51 Å²	51	64.5 Å²	64.5	31%	0.309	32%	0.322	S	S	.	.			trans	-126.9	132.9	-179.5	-173.2	0	0	0	0	108.5	S493	S493-V501 PolarHBondContact N-O 3.31Å
502	P	93.3	Very high	89.1	Confident	51 Å²	51	64.5 Å²	64.5	33%	0.331	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-64.8	155.6	174	27.1	-33.8	0	0	0	111.5	L491 I531 L533	L491-P502 CarbonylContact O-C 3.57Å; L491-P502 VanDerWaalsContact O-CA 3.29Å; L491-P502 WeakPolarHBondContact O-CA 3.34Å; P502-I531 HydrophobicContact CB-CB 4.18Å; P502-I531 HydrophobicContact CB-CG2 3.63Å; P502-L533 HydrophobicContact CB-CD1 4.09Å; P502-L533 HydrophobicContact CB-CD2 4.49Å; P502-L533 HydrophobicContact CB-CG 4.04Å
503	V	92.4	Very high	89.1	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.018	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-61.6	154.7	163.2	-62.8	0	0	0	0	110.3	V461 W472 L491 V508 I531	V461-V503 HydrophobicContact CG1-CB 4.37Å; V461-V503 HydrophobicContact CG1-CG1 4.11Å; V461-V503 HydrophobicContact CG1-CG2 4.22Å; W472-V503 HydrophobicContact CH2-CG1 3.76Å; W472-V503 HydrophobicContact CZ2-CG1 3.68Å; L491-V503 HydrophobicContact CB-CG2 4.49Å; L491-V503 HydrophobicContact CD2-CG2 4.3Å; L491-V503 PolarHBondContact O-N 2.94Å; V503-V508 HydrophobicContact CG2-CG2 3.42Å; V503-V508 VanDerWaalsContact CG2-CG2 3.42Å; V503-I531 HydrophobicContact CG2-CD1 3.68Å; V503-I531 WeakPolarHBondContact O-CD1 3.28Å
504	V	93.1	Very high	89.2	Confident	68 Å²	68	62.7 Å²	62.7	41%	0.412	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-64.8	131.9	176.3	178.9	0	0	0	0	108.9	H506 H507	V504-H506 VanDerWaalsContact C-N 3.27Å; V504-H506 HydrophobicContact CG1-CB 4.48Å; V504-H506 PolarHBondContact O-N 3.31Å; V504-H506 VanDerWaalsContact O-N 3.16Å; V504-H507 VanDerWaalsContact O-CB 3.3Å; V504-H507 WeakPolarHBondContact O-CB 3.24Å; V504-H507 PolarHBondContact O-N 3.37Å
505	P	93.8	Very high	89.5	Confident	35 Å²	35	58.9 Å²	58.9	23%	0.227	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-51.1	-41.4	-177.7	-31.7	36.8	0	0	0	114.5	H507 V508 V528 I531	P505-H507 PolarHBondContact O-N 2.76Å; P505-H507 VanDerWaalsContact O-N 3.17Å; P505-V508 PolarHBondContact O-N 2.93Å; P505-V528 HydrophobicContact CB-CB 4.08Å; P505-V528 HydrophobicContact CB-CG1 4.03Å; P505-V528 WeakPolarHBondContact CB-O 3.43Å; P505-I531 HydrophobicContact CG-CD1 4.46Å; P505-I531 HydrophobicContact CG-CG1 4.47Å
506	H	91.4	Very high	89.8	Confident	157 Å²	157	54.5 Å²	54.5	73%	0.727	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-66.5	-14.8	179	-58.9	-56.6	0	0	0	114.7	V504 V508	V504-H506 VanDerWaalsContact C-N 3.27Å; V504-H506 HydrophobicContact CG1-CB 4.48Å; V504-H506 PolarHBondContact O-N 3.31Å; V504-H506 VanDerWaalsContact O-N 3.16Å; H506-V508 VanDerWaalsContact C-N 3.26Å
507	H	93.1	Very high	90.1	Very high	30 Å²	30	44.1 Å²	44.1	14%	0.139	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-82.5	-5.7	174.1	-65.2	178.2	0	0	0	112.1	V461 E462 D463 L464 V504 P505	V461-H507 WeakPolarHBondContact CA-O 3.42Å; E462-H507 PolarHBondContact N-O 2.89Å; E462-H507 WeakPolarHBondContact O-CB 3.23Å; D463-H507 IonicContact OD1-CE1 2.98Å; D463-H507 IonicContact OD1-ND1 3.68Å; D463-H507 PolarHBondContact OD1-ND1 3.24Å; D463-H507 VanDerWaalsContact OD1-ND1 3.13Å; L464-H507 PolarHBondContact N-CE1 3.45Å; L464-H507 PolarHBondContact N-ND1 3.48Å; V504-H507 VanDerWaalsContact O-CB 3.3Å; V504-H507 WeakPolarHBondContact O-CB 3.24Å; V504-H507 PolarHBondContact O-N 3.37Å; P505-H507 PolarHBondContact O-N 2.76Å; P505-H507 VanDerWaalsContact O-N 3.17Å
508	V	93.5	Very high	90.2	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128	-178.2	-173.7	0	0	0	0	109.9	S460 V461 L491 V503 P505 H506 V528 I531 L549	S460-V508 WeakPolarHBondContact O-CA 3.48Å; V461-V508 HydrophobicContact CG1-CG2 4.24Å; V461-V508 HydrophobicContact CG2-CG1 4.4Å; V461-V508 HydrophobicContact CG2-CG2 4.15Å; L491-V508 HydrophobicContact CD2-CG1 4.32Å; L491-V508 HydrophobicContact CD2-CG2 4.19Å; V503-V508 HydrophobicContact CG2-CG2 3.42Å; V503-V508 VanDerWaalsContact CG2-CG2 3.42Å; P505-V508 PolarHBondContact O-N 2.93Å; H506-V508 VanDerWaalsContact C-N 3.26Å; V508-V528 HydrophobicContact CB-CG2 3.78Å; V508-V528 HydrophobicContact CG1-CG2 3.88Å; V508-V528 WeakPolarHBondContact O-CG2 3.49Å; V508-I531 HydrophobicContact CG2-CD1 3.82Å; V508-L549 HydrophobicContact CG1-CD1 3.99Å
509	K	92.8	Very high	90.4	Very high	98 Å²	98	49.2 Å²	49.2	43%	0.426	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.8	171.3	-66.4	171.4	-176.8	149.6	0	109.3	S460 E462 F511	S460-K509 PolarHBondContact N-O 2.99Å; S460-K509 PolarHBondContact O-N 3.47Å; E462-K509 IonicContact OE2-NZ 3.53Å; E462-K509 PolarHBondContact OE2-NZ 3.08Å; K509-F511 HydrophobicContact CB-CE2 3.91Å; K509-F511 HydrophobicContact CB-CZ 4.22Å
510	V	95.4	Very high	90.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.9	-179.9	180	0	0	0	0	109.4	V457 L459 I484 L512 G525 R526 V528 L549 L551	V457-V510 HydrophobicContact CG1-CG1 3.56Å; L459-V510 HydrophobicContact CD2-CG1 4.47Å; L459-V510 HydrophobicContact CD2-CG2 3.87Å; I484-V510 HydrophobicContact CD1-CG1 3.37Å; I484-V510 HydrophobicContact CD1-CG2 4.39Å; V510-L512 HydrophobicContact CG1-CG 4.33Å; V510-G525 CarbonylContact O-C 3.4Å; V510-G525 VanDerWaalsContact O-CA 3.31Å; V510-G525 WeakPolarHBondContact O-CA 3.44Å; V510-R526 HydrophobicContact CB-CB 4.26Å; V510-R526 WeakPolarHBondContact CB-O 3.33Å; V510-R526 PolarHBondContact N-O 3.25Å; V510-R526 PolarHBondContact O-N 2.86Å; V510-V528 HydrophobicContact CG2-CG2 3.79Å; V510-L549 HydrophobicContact CG2-CD1 4.17Å; V510-L549 HydrophobicContact CG2-CD2 3.79Å; V510-L551 HydrophobicContact CB-CD2 4.15Å; V510-L551 HydrophobicContact CG1-CD2 4.05Å; V510-L551 HydrophobicContact CG2-CD2 3.93Å
511	F	94.4	Very high	89.5	Confident	34 Å²	34	57.6 Å²	57.6	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.5	172.2	-57.6	-90.4	0	0	0	110.9	L458 K509 L514	L458-F511 HydrophobicContact CB-CB 4.26Å; L458-F511 HydrophobicContact CD2-CD2 4.12Å; L458-F511 PolarHBondContact N-O 2.87Å; L458-F511 PolarHBondContact O-N 3.02Å; K509-F511 HydrophobicContact CB-CE2 3.91Å; K509-F511 HydrophobicContact CB-CZ 4.22Å; F511-L514 HydrophobicContact CB-CB 4.29Å; F511-L514 HydrophobicContact CB-CD2 3.98Å; F511-L514 HydrophobicContact CG-CD2 4.46Å
512	L	94.1	Very high	88.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	149.9	178.5	-66.1	160.9	0	0	0	110.2	V457 L478 V510 L514 S523 T524 R526 L551 A555 V561	V457-L512 HydrophobicContact CG2-CD2 3.68Å; L478-L512 HydrophobicContact CB-CD2 4.36Å; L478-L512 HydrophobicContact CD1-CD2 3.97Å; L478-L512 HydrophobicContact CD2-CD2 4.1Å; L478-L512 HydrophobicContact CG-CD2 4.39Å; V510-L512 HydrophobicContact CG1-CG 4.33Å; L512-L514 PolarHBondContact O-N 2.85Å; L512-S523 CarbonylContact O-C 3.49Å; L512-S523 VanDerWaalsContact O-CA 3.27Å; L512-S523 WeakPolarHBondContact O-CA 3.41Å; L512-T524 PolarHBondContact N-O 3.43Å; L512-T524 PolarHBondContact O-N 2.9Å; L512-R526 HydrophobicContact CD1-CG 4.18Å; L512-L551 HydrophobicContact CD1-CD1 4.2Å; L512-A555 HydrophobicContact CD1-CB 3.64Å; L512-V561 HydrophobicContact CB-CG1 4.14Å; L512-V561 HydrophobicContact CB-CG2 3.99Å; L512-V561 HydrophobicContact CD1-CG1 4.33Å; L512-V561 HydrophobicContact CD2-CG1 4.37Å
513	G	91.6	Very high	88.5	Confident	11 Å²	11	57.3 Å²	57.3	11%	0.113	28%	0.279	C	S	.	.	S	Bend	trans	65.3	9	178.9	0	0	0	0	0	114.4
514	L	90.7	Very high	88.4	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.037	29%	0.289	C	S	.	.			trans	-75.1	128.8	178.8	-173.4	68.1	0	0	0	109.6	L458 F511 L512 S516 L517 K520 S523 W589	L458-L514 HydrophobicContact CB-CD2 4.13Å; L458-L514 HydrophobicContact CD2-CD2 3.53Å; L458-L514 HydrophobicContact CG-CD2 4.48Å; F511-L514 HydrophobicContact CB-CB 4.29Å; F511-L514 HydrophobicContact CB-CD2 3.98Å; F511-L514 HydrophobicContact CG-CD2 4.46Å; L512-L514 PolarHBondContact O-N 2.85Å; L514-S516 VanDerWaalsContact CD1-O 3.26Å; L514-S516 WeakPolarHBondContact CD1-O 3.24Å; L514-L517 HydrophobicContact CD2-CD2 3.98Å; L514-K520 HydrophobicContact CD1-CB 4.46Å; L514-K520 HydrophobicContact CD1-CG 3.98Å; L514-S523 VanDerWaalsContact CD1-CB 3.49Å; L514-W589 HydrophobicContact CB-CZ2 4.45Å; L514-W589 HydrophobicContact CD2-CZ2 4.49Å; L514-W589 HydrophobicContact CG-CZ2 4.35Å; L514-W589 VanDerWaalsContact O-CZ2 3.28Å; L514-W589 WeakPolarHBondContact O-CZ2 3.49Å
515	H	87.3	Confident	88.2	Confident	33 Å²	33	57.6 Å²	57.6	15%	0.153	29%	0.29	C	S	.	.			trans	-114.4	-36.9	176	-175.4	52.7	0	0	0	112.7	S448 P450 L606	S448-H515 VanDerWaalsContact C-CE1 3.41Å; S448-H515 PolarHBondContact O-CE1 3.39Å; S448-H515 PolarHBondContact O-NE2 3.17Å; P450-H515 HydrophobicContact CG-CB 4.42Å; H515-L606 PolarHBondContact O-N 2.9Å
516	S	86.3	Confident	88.2	Confident	20 Å²	20	58 Å²	58	14%	0.14	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-121.4	129.1	179.1	173.2	0	0	0	0	110	L514 R518 D519 D604	L514-S516 VanDerWaalsContact CD1-O 3.26Å; L514-S516 WeakPolarHBondContact CD1-O 3.24Å; S516-R518 PolarHBondContact O-N 3.11Å; S516-R518 PolarHBondContact OG-N 3.04Å; S516-D519 CarbonylContact O-C 3.5Å; S516-D519 PolarHBondContact O-N 3.46Å; S516-D519 PolarHBondContact OG-N 2.85Å; S516-D604 CarbonylContact C-O 3.55Å; S516-D604 WeakPolarHBondContact CA-O 3.04Å
517	L	82.9	Confident	88.4	Confident	47 Å²	47	54.2 Å²	54.2	25%	0.246	28%	0.279	C	S	.	.	S	Bend	trans	-63.6	-23.8	176.6	-62.7	-179.1	0	0	0	112.6	L458 L514 W589 D604	L458-L517 HydrophobicContact CD2-CD2 3.67Å; L514-L517 HydrophobicContact CD2-CD2 3.98Å; L517-W589 HydrophobicContact CD1-CB 4.34Å; L517-W589 HydrophobicContact CD1-CG 4.3Å; L517-W589 HydrophobicContact CD2-CD2 4.37Å; L517-W589 HydrophobicContact CD2-CG 4.19Å; L517-W589 HydrophobicContact CG-CG 4.26Å; L517-D604 PolarHBondContact N-O 3.02Å
518	R	83.6	Confident	88.5	Confident	198 Å²	198	52.9 Å²	52.9	75%	0.747	27%	0.273	S	S	*	.	S	Bend	trans	-84.8	-30.2	177.1	-60.1	-173.1	-175.5	-165	5.9	113.2	S516 D604	S516-R518 PolarHBondContact O-N 3.11Å; S516-R518 PolarHBondContact OG-N 3.04Å; R518-D604 HydrophobicContact CG-CB 4.45Å; R518-D604 IonicContact CZ-OD2 3.1Å; R518-D604 IonicContact NE-OD1 3.22Å; R518-D604 PolarHBondContact NE-OD1 2.52Å; R518-D604 IonicContact NE-OD2 2.85Å; R518-D604 PolarHBondContact NE-OD2 3Å; R518-D604 IonicContact NH2-OD2 2.7Å; R518-D604 PolarHBondContact NH2-OD2 2.81Å
519	D	80.6	Confident	88.6	Confident	72 Å²	72	56.8 Å²	56.8	39%	0.385	29%	0.293	S	S	.	.			trans	-112.9	97.2	-178.8	-179.5	11.4	0	0	0	110.8	S516 Q521	S516-D519 CarbonylContact O-C 3.5Å; S516-D519 PolarHBondContact O-N 3.46Å; S516-D519 PolarHBondContact OG-N 2.85Å; D519-Q521 WeakPolarHBondContact OD1-CB 3.38Å; D519-Q521 WeakPolarHBondContact OD1-CG 3.41Å; D519-Q521 PolarHBondContact OD1-N 2.73Å
520	K	80.1	Confident	88.7	Confident	111 Å²	111	56 Å²	56	48%	0.483	29%	0.291	S	S	.	.			trans	-93.4	3.9	179.9	-61.9	-174.7	-178.7	-176.2	0	113.2	L514 T522 S523	L514-K520 HydrophobicContact CD1-CB 4.46Å; L514-K520 HydrophobicContact CD1-CG 3.98Å; K520-T522 VanDerWaalsContact C-N 3.27Å; K520-T522 PolarHBondContact O-N 2.79Å; K520-S523 WeakPolarHBondContact CA-OG 3.33Å; K520-S523 WeakPolarHBondContact CB-OG 3.45Å; K520-S523 PolarHBondContact O-N 3Å; K520-S523 PolarHBondContact O-OG 2.86Å
521	Q	78.8	Confident	88.8	Confident	180 Å²	180	56.8 Å²	56.8	84%	0.841	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.1	-173.7	-70.1	-168.3	-3.3	0	0	113.3	D519	D519-Q521 WeakPolarHBondContact OD1-CB 3.38Å; D519-Q521 WeakPolarHBondContact OD1-CG 3.41Å; D519-Q521 PolarHBondContact OD1-N 2.73Å
522	T	76.4	Confident	88.9	Confident	74 Å²	74	56.1 Å²	56.1	45%	0.454	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.2	179.4	53.1	0	0	0	0	113.2	K520 L560	K520-T522 VanDerWaalsContact C-N 3.27Å; K520-T522 PolarHBondContact O-N 2.79Å; T522-L560 HydrophobicContact CG2-CD1 4.45Å
523	S	86.4	Confident	89.1	Confident	22 Å²	22	57.1 Å²	57.1	15%	0.154	30%	0.299	C	S	.	.			trans	-88.5	142.7	-177.9	76.5	0	0	0	0	112	L512 L514 K520	L512-S523 CarbonylContact O-C 3.49Å; L512-S523 VanDerWaalsContact O-CA 3.27Å; L512-S523 WeakPolarHBondContact O-CA 3.41Å; L514-S523 VanDerWaalsContact CD1-CB 3.49Å; K520-S523 WeakPolarHBondContact CA-OG 3.33Å; K520-S523 WeakPolarHBondContact CB-OG 3.45Å; K520-S523 PolarHBondContact O-N 3Å; K520-S523 PolarHBondContact O-OG 2.86Å
524	T	89.5	Confident	89.4	Confident	35 Å²	35	57.5 Å²	57.5	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.2	175	-54.8	0	0	0	0	108.9	L512 R526	L512-T524 PolarHBondContact N-O 3.43Å; L512-T524 PolarHBondContact O-N 2.9Å; T524-R526 VanDerWaalsContact CG2-CZ 3.41Å
525	G	90.4	Very high	89.6	Confident	43 Å²	43	61.9 Å²	61.9	44%	0.443	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.8	172.2	0	0	0	0	0	111.4	V510	V510-G525 CarbonylContact O-C 3.4Å; V510-G525 VanDerWaalsContact O-CA 3.31Å; V510-G525 WeakPolarHBondContact O-CA 3.44Å
526	R	93.8	Very high	90	Very high	43 Å²	43	65.1 Å²	65.1	16%	0.162	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.3	174.6	-68.5	-70.2	-174	-100.6	7.3	111.4	V510 L512 T524 L551 A554	V510-R526 HydrophobicContact CB-CB 4.26Å; V510-R526 WeakPolarHBondContact CB-O 3.33Å; V510-R526 PolarHBondContact N-O 3.25Å; V510-R526 PolarHBondContact O-N 2.86Å; L512-R526 HydrophobicContact CD1-CG 4.18Å; T524-R526 VanDerWaalsContact CG2-CZ 3.41Å; R526-L551 HydrophobicContact CB-CD1 4.34Å; R526-L551 HydrophobicContact CB-CD2 3.85Å; R526-L551 HydrophobicContact CG-CD1 4.2Å; R526-A554 PolarHBondContact NE-O 3.35Å; R526-A554 PolarHBondContact NH2-O 2.68Å; R526-A554 VanDerWaalsContact NH2-O 3.16Å
527	S	94.1	Very high	90.4	Very high	78 Å²	78	64.5 Å²	64.5	55%	0.545	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	158.7	170.7	-60.1	0	0	0	0	110.8	S552	S527-S552 PolarHBondContact O-N 2.89Å; S527-S552 PolarHBondContact O-OG 3.5Å
528	V	96.1	Very high	90.8	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.012	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.7	-178.5	-172.7	0	0	0	0	110.2	P505 V508 V510 I531 L549 S552	P505-V528 HydrophobicContact CB-CB 4.08Å; P505-V528 HydrophobicContact CB-CG1 4.03Å; P505-V528 WeakPolarHBondContact CB-O 3.43Å; V508-V528 HydrophobicContact CB-CG2 3.78Å; V508-V528 HydrophobicContact CG1-CG2 3.88Å; V508-V528 WeakPolarHBondContact O-CG2 3.49Å; V510-V528 HydrophobicContact CG2-CG2 3.79Å; V528-I531 HydrophobicContact CG1-CD1 4.31Å; V528-I531 HydrophobicContact CG1-CG1 3.75Å; V528-L549 HydrophobicContact CB-CD2 4.37Å; V528-L549 HydrophobicContact CB-CG 4.45Å; V528-L549 HydrophobicContact CG1-CD1 4.04Å; V528-L549 HydrophobicContact CG1-CD2 3.84Å; V528-L549 HydrophobicContact CG1-CG 3.57Å; V528-L549 HydrophobicContact CG2-CD1 3.84Å; V528-L549 HydrophobicContact CG2-CD2 3.85Å; V528-L549 HydrophobicContact CG2-CG 4.06Å; V528-S552 VanDerWaalsContact C-OG 3.27Å
529	D	95.3	Very high	91	Very high	85 Å²	85	58.3 Å²	58.3	46%	0.455	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-47.3	173.5	-178.2	55	0	0	0	110.9	R550 S552	D529-R550 PolarHBondContact N-O 2.81Å; D529-R550 IonicContact OD2-NE 3.79Å; D529-S552 PolarHBondContact N-OG 3.4Å
530	Q	95.9	Very high	91.3	Very high	81 Å²	81	61 Å²	61	38%	0.379	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	141.6	-172.8	-167.5	-178.7	9.4	0	0	111.7	V532 L549 R550	Q530-V532 HydrophobicContact CG-CG2 4.01Å; Q530-L549 WeakPolarHBondContact O-CA 3.32Å; Q530-R550 HydrophobicContact CB-CB 3.98Å; Q530-R550 PolarHBondContact N-O 2.91Å; Q530-R550 PolarHBondContact O-N 2.9Å
531	I	97.1	Very high	91.6	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.087	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.3	170.4	-64.9	172.6	0	0	0	108.1	L491 P502 V503 P505 V508 V528 L533	L491-I531 HydrophobicContact CB-CG2 3.96Å; L491-I531 HydrophobicContact CD1-CG1 4.48Å; L491-I531 HydrophobicContact CD1-CG2 3.82Å; L491-I531 HydrophobicContact CD2-CD1 4.43Å; L491-I531 HydrophobicContact CG-CG2 4.47Å; P502-I531 HydrophobicContact CB-CB 4.18Å; P502-I531 HydrophobicContact CB-CG2 3.63Å; V503-I531 HydrophobicContact CG2-CD1 3.68Å; V503-I531 WeakPolarHBondContact O-CD1 3.28Å; P505-I531 HydrophobicContact CG-CD1 4.46Å; P505-I531 HydrophobicContact CG-CG1 4.47Å; V508-I531 HydrophobicContact CG2-CD1 3.82Å; V528-I531 HydrophobicContact CG1-CD1 4.31Å; V528-I531 HydrophobicContact CG1-CG1 3.75Å; I531-L533 HydrophobicContact CG2-CD2 4.13Å
532	V	96.9	Very high	92.2	Very high	20 Å²	20	52.1 Å²	52.1	12%	0.121	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	105.6	179.5	-170	0	0	0	0	108.5	Q530 A547 L548 W697	Q530-V532 HydrophobicContact CG-CG2 4.01Å; V532-A547 CarbonylContact O-C 3.57Å; V532-A547 VanDerWaalsContact O-CA 3.24Å; V532-A547 WeakPolarHBondContact O-CA 3.26Å; V532-A547 WeakPolarHBondContact O-CB 3.25Å; V532-L548 HydrophobicContact CB-CB 4.39Å; V532-L548 PolarHBondContact N-O 3.33Å; V532-L548 PolarHBondContact O-N 3.32Å; V532-W697 HydrophobicContact CG1-CZ2 3.96Å
533	L	97.3	Very high	93	Very high	21 Å²	21	49.5 Å²	49.5	11%	0.11	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	147.3	169.3	-52.8	-176.1	0	0	0	109.1	A488 L491 R492 V500 P502 I531 A547	A488-L533 HydrophobicContact CB-CD2 4.22Å; L491-L533 HydrophobicContact CB-CD2 3.83Å; R492-L533 HydrophobicContact CB-CD1 4.39Å; R492-L533 HydrophobicContact CG-CD1 4.45Å; V500-L533 HydrophobicContact CG1-CD1 3.81Å; P502-L533 HydrophobicContact CB-CD1 4.09Å; P502-L533 HydrophobicContact CB-CD2 4.49Å; P502-L533 HydrophobicContact CB-CG 4.04Å; I531-L533 HydrophobicContact CG2-CD2 4.13Å; L533-A547 HydrophobicContact CD2-CB 3.77Å
534	H	96.9	Very high	93.4	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.083	27%	0.273	C	S	.	.			trans	-59.2	131.9	170.5	-167.1	-83.5	0	0	0	110.2	D536 F537 I546 Y694 W697	H534-D536 IonicContact CE1-OD2 3.57Å; H534-D536 PolarHBondContact CE1-OD2 2.89Å; H534-D536 PolarHBondContact ND1-N 3.18Å; H534-D536 PolarHBondContact O-N 3.43Å; H534-F537 WeakPolarHBondContact O-CB 3.47Å; H534-F537 PolarHBondContact O-N 2.82Å; H534-F537 VanDerWaalsContact O-N 3.08Å; H534-I546 HydrophobicContact CB-CG2 3.64Å; H534-I546 WeakPolarHBondContact CB-O 3.22Å; H534-I546 PolarHBondContact N-O 3.44Å; H534-Y694 AromaticContact CD2-CD1 3.61Å; H534-Y694 AromaticContact CD2-CE1 3.89Å; H534-Y694 AromaticContact NE2-CD1 3.58Å; H534-Y694 AromaticContact NE2-CE1 3.74Å; H534-W697 HydrophobicContact CB-CZ2 4.27Å; H534-W697 AromaticContact CD2-CD1 3.97Å; H534-W697 AromaticContact CD2-CD2 3.67Å; H534-W697 AromaticContact CD2-CE2 3.79Å; H534-W697 AromaticContact CD2-CG 3.81Å; H534-W697 AromaticContact CD2-NE1 3.94Å
535	P	95.4	Very high	93.7	Very high	100 Å²	100	47.5 Å²	47.5	65%	0.649	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.1	-173.4	22.7	-34	0	0	0	112.9	F537	P535-F537 VanDerWaalsContact C-N 3.32Å; P535-F537 PolarHBondContact O-N 2.97Å
536	D	95.6	Very high	94.1	Very high	100 Å²	100	45.4 Å²	45.4	54%	0.535	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	15	-179.8	-54.7	-44.6	0	0	0	113.8	H534 Q538 N544	H534-D536 IonicContact CE1-OD2 3.57Å; H534-D536 PolarHBondContact CE1-OD2 2.89Å; H534-D536 PolarHBondContact ND1-N 3.18Å; H534-D536 PolarHBondContact O-N 3.43Å; D536-Q538 PolarHBondContact O-N 2.87Å; D536-N544 HydrophobicContact CB-CB 4.4Å; D536-N544 WeakPolarHBondContact CB-ND2 3.3Å; D536-N544 PolarHBondContact O-ND2 3.45Å
537	F	94.9	Very high	94.3	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.035	23%	0.234	C	C	.	.			trans	-61.9	126	178.7	175.5	-129.9	0	0	0	111.4	A488 H489 R492 V500 H534 P535 N543 D545	A488-F537 HydrophobicContact CB-CB 4.16Å; A488-F537 HydrophobicContact CB-CD1 3.57Å; A488-F537 HydrophobicContact CB-CD2 3.86Å; A488-F537 HydrophobicContact CB-CE1 3.83Å; A488-F537 HydrophobicContact CB-CE2 4.15Å; A488-F537 HydrophobicContact CB-CG 3.58Å; A488-F537 HydrophobicContact CB-CZ 4.15Å; H489-F537 HydrophobicContact CB-CZ 3.85Å; R492-F537 HydrophobicContact CB-CE1 4.37Å; V500-F537 HydrophobicContact CG1-CD1 3.83Å; H534-F537 WeakPolarHBondContact O-CB 3.47Å; H534-F537 PolarHBondContact O-N 2.82Å; H534-F537 VanDerWaalsContact O-N 3.08Å; P535-F537 VanDerWaalsContact C-N 3.32Å; P535-F537 PolarHBondContact O-N 2.97Å; F537-N543 WeakPolarHBondContact CA-O 3.29Å; F537-N543 WeakPolarHBondContact CD2-O 3.39Å; F537-D545 HydrophobicContact CD2-CB 4.07Å; F537-D545 HydrophobicContact CE2-CB 3.7Å
538	Q	91.5	Very high	94.4	Very high	87 Å²	87	39.7 Å²	39.7	41%	0.407	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-110.1	108	-178.6	-70	177.8	17.8	0	0	110.2	D536 D540 N541 Y542 N543	D536-Q538 PolarHBondContact O-N 2.87Å; Q538-D540 PolarHBondContact O-N 3.35Å; Q538-N541 WeakPolarHBondContact CB-OD1 3.39Å; Q538-N541 PolarHBondContact O-OD1 3.49Å; Q538-N541 PolarHBondContact OE1-ND2 2.82Å; Q538-N541 PolarHBondContact OE1-OD1 3.37Å; Q538-Y542 WeakPolarHBondContact O-CA 3.11Å; Q538-Y542 PolarHBondContact O-N 2.8Å; Q538-N543 HydrophobicContact CB-CB 4.33Å; Q538-N543 PolarHBondContact N-O 2.81Å
539	P	88.1	Confident	94.4	Very high	27 Å²	27	39.6 Å²	39.6	18%	0.175	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.5	-175.4	27.4	-34.7	0	0	0	113.9	V500 Y542	V500-P539 HydrophobicContact CG2-CG 4.08Å; P539-Y542 WeakPolarHBondContact O-CE2 3.31Å
540	D	85.8	Confident	94.4	Very high	129 Å²	129	40.5 Å²	40.5	69%	0.69	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-33.2	-177.2	-66.3	-32.3	0	0	0	113.2	Q538	Q538-D540 PolarHBondContact O-N 3.35Å
541	N	87.3	Confident	94.4	Very high	35 Å²	35	36.8 Å²	36.8	19%	0.187	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	0.7	-177.5	66.4	11.5	0	0	0	113.5	Q538 N543	Q538-N541 WeakPolarHBondContact CB-OD1 3.39Å; Q538-N541 PolarHBondContact O-OD1 3.49Å; Q538-N541 PolarHBondContact OE1-ND2 2.82Å; Q538-N541 PolarHBondContact OE1-OD1 3.37Å; N541-N543 PolarHBondContact O-N 2.87Å; N541-N543 VanDerWaalsContact OD1-CB 3.26Å; N541-N543 WeakPolarHBondContact OD1-CB 3.1Å; N541-N543 PolarHBondContact OD1-N 2.84Å
542	Y	91	Very high	94.2	Very high	69 Å²	69	38.9 Å²	38.9	27%	0.271	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	21.3	-179.1	-69.2	-116.2	0	0	0	114.2	H489 Q538 P539 D545 M636 W673	H489-Y542 HydrophobicContact CB-CD1 4.06Å; H489-Y542 HydrophobicContact CB-CE1 3.63Å; H489-Y542 AromaticContact CG-CE1 3.74Å; Q538-Y542 WeakPolarHBondContact O-CA 3.11Å; Q538-Y542 PolarHBondContact O-N 2.8Å; P539-Y542 WeakPolarHBondContact O-CE2 3.31Å; Y542-D545 VanDerWaalsContact O-CB 3.23Å; Y542-D545 WeakPolarHBondContact O-CB 3.46Å; Y542-D545 PolarHBondContact O-N 3.22Å; Y542-M636 WeakPolarHBondContact O-CE 3.19Å; Y542-W673 HydrophobicContact CD1-CB 4.32Å; Y542-W673 AromaticContact CG-CD1 3.82Å; Y542-W673 HydrophobicContact CG-CG 4.34Å
543	N	93.3	Very high	94	Very high	20 Å²	20	44.2 Å²	44.2	11%	0.107	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-67.5	141.3	173	-163.1	43.3	0	0	0	110.3	F537 Q538 N541 D545 T633 M636	F537-N543 WeakPolarHBondContact CA-O 3.29Å; F537-N543 WeakPolarHBondContact CD2-O 3.39Å; Q538-N543 HydrophobicContact CB-CB 4.33Å; Q538-N543 PolarHBondContact N-O 2.81Å; N541-N543 PolarHBondContact O-N 2.87Å; N541-N543 VanDerWaalsContact OD1-CB 3.26Å; N541-N543 WeakPolarHBondContact OD1-CB 3.1Å; N541-N543 PolarHBondContact OD1-N 2.84Å; N543-D545 VanDerWaalsContact C-N 3.31Å; N543-D545 PolarHBondContact O-N 3.43Å; N543-T633 HydrophobicContact CB-CG2 4.46Å; N543-T633 PolarHBondContact OD1-OG1 3.13Å; N543-M636 HydrophobicContact CB-CE 4.15Å
544	N	95.6	Very high	93.6	Very high	14 Å²	14	45.5 Å²	45.5	8%	0.075	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	37.2	-175.1	-41.6	-57.1	0	0	0	114.4	D536 I546 N635 Y694	D536-N544 HydrophobicContact CB-CB 4.4Å; D536-N544 WeakPolarHBondContact CB-ND2 3.3Å; D536-N544 PolarHBondContact O-ND2 3.45Å; N544-I546 VanDerWaalsContact C-N 3.3Å; N544-I546 PolarHBondContact O-N 2.72Å; N544-N635 PolarHBondContact OD1-ND2 3.16Å; N544-Y694 VanDerWaalsContact CA-OH 3.24Å; N544-Y694 WeakPolarHBondContact CA-OH 3.44Å; N544-Y694 HydrophobicContact CB-CE1 4.13Å; N544-Y694 PolarHBondContact OD1-OH 3.36Å
545	D	96.3	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.			trans	-76.6	75.7	179.1	-174.1	25.3	0	0	0	112.6	A488 H489 F537 Y542 N543 S672 T689	A488-D545 WeakPolarHBondContact CA-OD1 3.4Å; A488-D545 WeakPolarHBondContact CB-OD1 3.5Å; A488-D545 PolarHBondContact N-OD1 2.81Å; H489-D545 IonicContact CE1-OD2 3.74Å; H489-D545 IonicContact CG-OD1 3.56Å; H489-D545 IonicContact CG-OD2 2.75Å; H489-D545 PolarHBondContact N-OD1 2.86Å; H489-D545 IonicContact ND1-OD1 2.79Å; H489-D545 PolarHBondContact ND1-OD1 2.85Å; H489-D545 IonicContact ND1-OD2 2.68Å; H489-D545 PolarHBondContact ND1-OD2 3.47Å; F537-D545 HydrophobicContact CD2-CB 4.07Å; F537-D545 HydrophobicContact CE2-CB 3.7Å; Y542-D545 VanDerWaalsContact O-CB 3.23Å; Y542-D545 WeakPolarHBondContact O-CB 3.46Å; Y542-D545 PolarHBondContact O-N 3.22Å; N543-D545 VanDerWaalsContact C-N 3.31Å; N543-D545 PolarHBondContact O-N 3.43Å; D545-S672 WeakPolarHBondContact CB-OG 3.33Å; D545-S672 WeakPolarHBondContact OD2-CA 3.27Å; D545-S672 VanDerWaalsContact OD2-CB 3.29Å; D545-S672 WeakPolarHBondContact OD2-CB 3.33Å; D545-S672 PolarHBondContact OD2-OG 3.43Å; D545-T689 WeakPolarHBondContact O-CB 3.21Å; D545-T689 PolarHBondContact O-OG1 2.79Å
546	I	97.7	Very high	92.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.			trans	-146.1	140.9	179.9	-168.8	169.1	0	0	0	111	L485 H534 N544 L670 T689 Y694 W697 I698	L485-I546 HydrophobicContact CD1-CD1 3.96Å; L485-I546 HydrophobicContact CD1-CG1 3.84Å; H534-I546 HydrophobicContact CB-CG2 3.64Å; H534-I546 WeakPolarHBondContact CB-O 3.22Å; H534-I546 PolarHBondContact N-O 3.44Å; N544-I546 VanDerWaalsContact C-N 3.3Å; N544-I546 PolarHBondContact O-N 2.72Å; I546-L670 HydrophobicContact CB-CD1 4.33Å; I546-L670 HydrophobicContact CD1-CD1 4.01Å; I546-L670 HydrophobicContact CG1-CD1 3.65Å; I546-T689 HydrophobicContact CB-CG2 4.16Å; I546-Y694 HydrophobicContact CD1-CD2 3.94Å; I546-Y694 HydrophobicContact CD1-CG 3.84Å; I546-Y694 HydrophobicContact CG2-CD1 3.76Å; I546-Y694 HydrophobicContact CG2-CD2 4.37Å; I546-Y694 HydrophobicContact CG2-CE1 3.97Å; I546-Y694 HydrophobicContact CG2-CG 3.97Å; I546-W697 HydrophobicContact CD1-CZ3 4.3Å; I546-W697 HydrophobicContact CG1-CZ3 4Å; I546-W697 HydrophobicContact CG2-CE3 4.38Å; I546-W697 HydrophobicContact CG2-CZ3 4.09Å; I546-I698 HydrophobicContact CD1-CD1 4.14Å
547	A	97.7	Very high	92.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155	178.9	0	0	0	0	0	111.9	T486 A488 L491 V532 L533	T486-A547 HydrophobicContact CG2-CB 4.26Å; T486-A547 PolarHBondContact N-O 3.02Å; T486-A547 PolarHBondContact O-N 3.29Å; T486-A547 VanDerWaalsContact O-O 3.07Å; A488-A547 HydrophobicContact CB-CB 4.31Å; L491-A547 HydrophobicContact CD1-CB 4.2Å; V532-A547 CarbonylContact O-C 3.57Å; V532-A547 VanDerWaalsContact O-CA 3.24Å; V532-A547 WeakPolarHBondContact O-CA 3.26Å; V532-A547 WeakPolarHBondContact O-CB 3.25Å; L533-A547 HydrophobicContact CD2-CB 3.77Å
548	L	97.4	Very high	91.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145	172.6	-70.5	170.8	0	0	0	110.4	L479 W483 I484 L485 V532 W697 I698 H701 V702	L479-L548 HydrophobicContact CD1-CD2 3.93Å; W483-L548 HydrophobicContact CE3-CB 4.06Å; W483-L548 HydrophobicContact CZ3-CB 3.94Å; W483-L548 HydrophobicContact CZ3-CD1 4.46Å; I484-L548 WeakPolarHBondContact O-CA 3.29Å; L485-L548 HydrophobicContact CD1-CD2 3.8Å; V532-L548 HydrophobicContact CB-CB 4.39Å; V532-L548 PolarHBondContact N-O 3.33Å; V532-L548 PolarHBondContact O-N 3.32Å; L548-W697 HydrophobicContact CB-CH2 4.3Å; L548-W697 HydrophobicContact CD1-CE3 4.45Å; L548-W697 HydrophobicContact CD1-CH2 3.98Å; L548-W697 HydrophobicContact CD1-CZ3 3.91Å; L548-W697 HydrophobicContact CG-CH2 3.78Å; L548-W697 HydrophobicContact CG-CZ3 3.77Å; L548-I698 HydrophobicContact CD2-CG2 4.38Å; L548-H701 HydrophobicContact CD1-CB 3.65Å; L548-V702 HydrophobicContact CD1-CG2 3.95Å; L548-V702 HydrophobicContact CD2-CG2 4.18Å
549	L	95.4	Very high	91.5	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.1	177.5	-175.8	156.5	0	0	0	108.8	L459 W483 I484 L491 V508 V510 V528 Q530 L551	L459-L549 HydrophobicContact CD2-CD1 3.98Å; W483-L549 WeakPolarHBondContact CA-O 3.24Å; I484-L549 HydrophobicContact CB-CB 4.3Å; I484-L549 HydrophobicContact CB-CD2 4.45Å; I484-L549 HydrophobicContact CD1-CD2 4.25Å; I484-L549 PolarHBondContact N-O 3Å; I484-L549 PolarHBondContact O-N 2.65Å; L491-L549 HydrophobicContact CD1-CB 4.34Å; L491-L549 HydrophobicContact CD1-CD1 4.12Å; L491-L549 HydrophobicContact CD2-CD1 4.41Å; V508-L549 HydrophobicContact CG1-CD1 3.99Å; V510-L549 HydrophobicContact CG2-CD1 4.17Å; V510-L549 HydrophobicContact CG2-CD2 3.79Å; V528-L549 HydrophobicContact CB-CD2 4.37Å; V528-L549 HydrophobicContact CB-CG 4.45Å; V528-L549 HydrophobicContact CG1-CD1 4.04Å; V528-L549 HydrophobicContact CG1-CD2 3.84Å; V528-L549 HydrophobicContact CG1-CG 3.57Å; V528-L549 HydrophobicContact CG2-CD1 3.84Å; V528-L549 HydrophobicContact CG2-CD2 3.85Å; V528-L549 HydrophobicContact CG2-CG 4.06Å; Q530-L549 WeakPolarHBondContact O-CA 3.32Å; L549-L551 HydrophobicContact CD2-CD2 3.75Å
550	R	95.7	Very high	91.5	Very high	104 Å²	104	52.9 Å²	52.9	39%	0.392	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.9	175.2	-168.3	-177.6	175.5	179	-1.6	110.6	S482 W483 D529 Q530	S482-R550 CarbonylContact O-C 3.6Å; S482-R550 VanDerWaalsContact O-CA 3.28Å; S482-R550 WeakPolarHBondContact O-CA 3.34Å; W483-R550 HydrophobicContact CD2-CB 4.27Å; W483-R550 HydrophobicContact CD2-CG 4.29Å; W483-R550 HydrophobicContact CE3-CB 4.02Å; W483-R550 HydrophobicContact CH2-CB 3.94Å; W483-R550 HydrophobicContact CH2-CG 4.28Å; W483-R550 HydrophobicContact CZ2-CB 4.18Å; W483-R550 HydrophobicContact CZ2-CG 4.01Å; W483-R550 HydrophobicContact CZ3-CB 3.85Å; D529-R550 PolarHBondContact N-O 2.81Å; D529-R550 IonicContact OD2-NE 3.79Å; Q530-R550 HydrophobicContact CB-CB 3.98Å; Q530-R550 PolarHBondContact N-O 2.91Å; Q530-R550 PolarHBondContact O-N 2.9Å
551	L	95.3	Very high	91.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	141.3	175.2	-56.1	-179.6	0	0	0	110.8	S482 I484 V510 L512 R526 L549 E553 A555	S482-L551 PolarHBondContact O-N 3.18Å; I484-L551 HydrophobicContact CD1-CD1 4.31Å; I484-L551 HydrophobicContact CD1-CD2 3.75Å; I484-L551 HydrophobicContact CD1-CG 4.24Å; V510-L551 HydrophobicContact CB-CD2 4.15Å; V510-L551 HydrophobicContact CG1-CD2 4.05Å; V510-L551 HydrophobicContact CG2-CD2 3.93Å; L512-L551 HydrophobicContact CD1-CD1 4.2Å; R526-L551 HydrophobicContact CB-CD1 4.34Å; R526-L551 HydrophobicContact CB-CD2 3.85Å; R526-L551 HydrophobicContact CG-CD1 4.2Å; L549-L551 HydrophobicContact CD2-CD2 3.75Å; L551-E553 VanDerWaalsContact CB-O 3.31Å; L551-E553 WeakPolarHBondContact CB-O 3.14Å; L551-E553 PolarHBondContact O-N 3.13Å; L551-A555 HydrophobicContact CD1-CB 4.27Å
552	S	93.7	Very high	91.9	Very high	60 Å²	60	47 Å²	47	42%	0.42	22%	0.222	S	C	.	.	S	Bend	trans	-65.7	-29.8	173.7	-47.5	0	0	0	0	112.8	S527 V528 D529	S527-S552 PolarHBondContact O-N 2.89Å; S527-S552 PolarHBondContact O-OG 3.5Å; V528-S552 VanDerWaalsContact C-OG 3.27Å; D529-S552 PolarHBondContact N-OG 3.4Å
553	E	92.6	Very high	91.9	Very high	132 Å²	132	43.7 Å²	43.7	62%	0.617	21%	0.209	S	C	*	.	S	Bend	trans	-131.1	141.7	176.6	-68.6	176.9	-173.4	0	0	110	L551 A555	L551-E553 VanDerWaalsContact CB-O 3.31Å; L551-E553 WeakPolarHBondContact CB-O 3.14Å; L551-E553 PolarHBondContact O-N 3.13Å; E553-A555 PolarHBondContact O-N 3.35Å
554	A	88.8	Confident	91.9	Very high	48 Å²	48	42.8 Å²	42.8	40%	0.397	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-57.9	137.9	176.3	0	0	0	0	0	111.7	Q481 R526	Q481-A554 HydrophobicContact CB-CB 4.04Å; Q481-A554 CarbonylContact O-C 3.59Å; Q481-A554 WeakPolarHBondContact O-CA 3.4Å; R526-A554 PolarHBondContact NE-O 3.35Å; R526-A554 PolarHBondContact NH2-O 2.68Å; R526-A554 VanDerWaalsContact NH2-O 3.16Å
555	A	87.7	Confident	91.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-72	133.6	169.2	0	0	0	0	0	109.7	Q481 L512 L551 E553 F557 V561	Q481-A555 WeakPolarHBondContact O-CB 3.21Å; Q481-A555 PolarHBondContact O-N 3.07Å; L512-A555 HydrophobicContact CD1-CB 3.64Å; L551-A555 HydrophobicContact CD1-CB 4.27Å; E553-A555 PolarHBondContact O-N 3.35Å; A555-F557 PolarHBondContact O-N 3.12Å; A555-V561 HydrophobicContact CB-CG1 4.27Å
556	E	87.2	Confident	91.4	Very high	145 Å²	145	42.7 Å²	42.7	68%	0.678	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-79.1	118	171.5	-68.7	177.2	-167	0	0	109.1	N558	E556-N558 PolarHBondContact O-ND2 3.25Å
557	F	85.6	Confident	90.9	Very high	39 Å²	39	42.9 Å²	42.9	17%	0.171	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-75.6	133.8	177.8	-65.5	-31.5	0	0	0	111.1	P426 L478 Q481 A555 V561 P563	P426-F557 HydrophobicContact CG-CB 3.56Å; P426-F557 HydrophobicContact CG-CD2 3.24Å; P426-F557 HydrophobicContact CG-CE2 4.07Å; P426-F557 HydrophobicContact CG-CG 3.76Å; L478-F557 HydrophobicContact CD2-CD1 4.38Å; L478-F557 HydrophobicContact CD2-CE1 3.77Å; Q481-F557 HydrophobicContact CB-CE1 4.48Å; Q481-F557 HydrophobicContact CB-CZ 4.14Å; Q481-F557 HydrophobicContact CG-CD1 4.38Å; Q481-F557 HydrophobicContact CG-CD2 3.79Å; Q481-F557 HydrophobicContact CG-CE1 3.87Å; Q481-F557 HydrophobicContact CG-CE2 3.28Å; Q481-F557 HydrophobicContact CG-CG 4.37Å; Q481-F557 HydrophobicContact CG-CZ 3.34Å; A555-F557 PolarHBondContact O-N 3.12Å; F557-V561 VanDerWaalsContact CA-O 3.32Å; F557-V561 WeakPolarHBondContact CA-O 3.32Å; F557-V561 HydrophobicContact CD1-CG1 4.39Å; F557-P563 HydrophobicContact CE1-CG 4.29Å; F557-P563 HydrophobicContact CE2-CG 4.22Å; F557-P563 HydrophobicContact CZ-CB 4.36Å; F557-P563 HydrophobicContact CZ-CG 3.74Å
558	N	84.5	Confident	89.9	Confident	67 Å²	67	46.1 Å²	46.1	36%	0.358	23%	0.226	S	C	.	.			trans	-149.8	-159.1	-179.3	61.2	50.6	0	0	0	109.7	E556 L560 V561 R562	E556-N558 PolarHBondContact O-ND2 3.25Å; N558-L560 VanDerWaalsContact C-N 3.3Å; N558-L560 PolarHBondContact O-N 2.93Å; N558-L560 WeakPolarHBondContact OD1-CA 3.5Å; N558-L560 PolarHBondContact OD1-N 3.45Å; N558-V561 PolarHBondContact N-O 3.44Å; N558-V561 PolarHBondContact OD1-N 2.82Å; N558-R562 VanDerWaalsContact O-CG 3.25Å; N558-R562 WeakPolarHBondContact O-CG 3.29Å; N558-R562 PolarHBondContact O-NE 2.99Å; N558-R562 VanDerWaalsContact O-NE 3.13Å
559	R	85.1	Confident	88.5	Confident	198 Å²	198	49.3 Å²	49.3	75%	0.747	25%	0.253	S	S	*	.	S	Bend	trans	-70.9	-23.9	178.6	-66.6	-177.1	177.9	-179.5	-0.9	113.1	S432	S432-R559 WeakPolarHBondContact CB-O 3.31Å; S432-R559 PolarHBondContact OG-O 2.82Å
560	L	89.1	Confident	86.9	Confident	45 Å²	45	54.9 Å²	54.9	24%	0.236	28%	0.278	C	S	.	.	S	Bend	trans	-105.7	-15.7	-176.5	-57.3	-179.7	0	0	0	113.2	P450 P454 T522 N558	P450-L560 HydrophobicContact CB-CD2 3.71Å; P454-L560 VanDerWaalsContact CA-O 3.23Å; P454-L560 WeakPolarHBondContact CA-O 3.25Å; P454-L560 WeakPolarHBondContact CB-O 3.11Å; T522-L560 HydrophobicContact CG2-CD1 4.45Å; N558-L560 VanDerWaalsContact C-N 3.3Å; N558-L560 PolarHBondContact O-N 2.93Å; N558-L560 WeakPolarHBondContact OD1-CA 3.5Å; N558-L560 PolarHBondContact OD1-N 3.45Å
561	V	91.3	Very high	85.1	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.018	29%	0.287	C	S	.	.			trans	-125.3	107.6	-178.8	-173.7	0	0	0	0	109.4	P454 L478 L512 A555 F557 N558	P454-V561 WeakPolarHBondContact O-CA 3.33Å; L478-V561 HydrophobicContact CD2-CG1 3.66Å; L512-V561 HydrophobicContact CB-CG1 4.14Å; L512-V561 HydrophobicContact CB-CG2 3.99Å; L512-V561 HydrophobicContact CD1-CG1 4.33Å; L512-V561 HydrophobicContact CD2-CG1 4.37Å; A555-V561 HydrophobicContact CB-CG1 4.27Å; F557-V561 VanDerWaalsContact CA-O 3.32Å; F557-V561 WeakPolarHBondContact CA-O 3.32Å; F557-V561 HydrophobicContact CD1-CG1 4.39Å; N558-V561 PolarHBondContact N-O 3.44Å; N558-V561 PolarHBondContact OD1-N 2.82Å
562	R	89.5	Confident	82.9	Confident	38 Å²	38	64.8 Å²	64.8	14%	0.143	33%	0.329	C	S	.	.			trans	-149.7	149	178.2	-63.6	-175.5	174.1	-166.2	-11.5	109.9	E394 L430 P454 W455 N558	E394-R562 IonicContact OE2-NH2 2.78Å; L430-R562 VanDerWaalsContact O-CD 3.31Å; L430-R562 WeakPolarHBondContact O-CD 3.18Å; L430-R562 PolarHBondContact O-NH1 2.97Å; P454-R562 CarbonylContact C-O 3.58Å; P454-R562 VanDerWaalsContact C-O 3.27Å; P454-R562 HydrophobicContact CB-CB 3.91Å; P454-R562 HydrophobicContact CB-CG 4.28Å; P454-R562 HydrophobicContact CG-CB 3.87Å; P454-R562 HydrophobicContact CG-CG 4.45Å; P454-R562 PolarHBondContact O-N 2.79Å; W455-R562 WeakPolarHBondContact CA-O 3.44Å; W455-R562 WeakPolarHBondContact CB-O 3.48Å; W455-R562 PolarHBondContact N-O 3.23Å; N558-R562 VanDerWaalsContact O-CG 3.25Å; N558-R562 WeakPolarHBondContact O-CG 3.29Å; N558-R562 PolarHBondContact O-NE 2.99Å; N558-R562 VanDerWaalsContact O-NE 3.13Å
563	P	91.7	Very high	80.8	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-76.5	152.8	-177.7	28.7	-29.3	0	0	0	112.4	C428 G429 L478 L479 F557	C428-P563 CarbonylContact C-O 3.59Å; C428-P563 WeakPolarHBondContact CA-O 3.06Å; C428-P563 HydrophobicContact CB-CB 4.42Å; C428-P563 HydrophobicContact CB-CG 4.15Å; G429-P563 PolarHBondContact N-O 3.06Å; L478-P563 CarbonylContact O-C 3.6Å; L478-P563 WeakPolarHBondContact O-CA 3.19Å; L479-P563 VanDerWaalsContact O-CB 3.26Å; L479-P563 WeakPolarHBondContact O-CB 3.26Å; F557-P563 HydrophobicContact CE1-CG 4.29Å; F557-P563 HydrophobicContact CE2-CG 4.22Å; F557-P563 HydrophobicContact CZ-CB 4.36Å; F557-P563 HydrophobicContact CZ-CG 3.74Å
564	V	92.8	Very high	78.9	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-87	151.4	165.2	72.1	0	0	0	0	109.4	W455 A477 L478 L479 V658 W665 V667	W455-V564 HydrophobicContact CB-CB 3.79Å; W455-V564 HydrophobicContact CB-CG1 4.35Å; W455-V564 HydrophobicContact CD2-CB 3.67Å; W455-V564 HydrophobicContact CD2-CG2 3.91Å; W455-V564 HydrophobicContact CE3-CB 3.98Å; W455-V564 HydrophobicContact CE3-CG2 4.22Å; W455-V564 HydrophobicContact CG-CB 3.59Å; W455-V564 HydrophobicContact CG-CG1 4.4Å; W455-V564 HydrophobicContact CG-CG2 4.2Å; A477-V564 HydrophobicContact CB-CG1 3.89Å; L478-V564 PolarHBondContact O-N 3.04Å; L479-V564 HydrophobicContact CD2-CG1 4.07Å; V564-V658 HydrophobicContact CG2-CG1 4.05Å; V564-W665 WeakPolarHBondContact CG2-O 3.31Å; V564-V667 HydrophobicContact CG1-CB 4.04Å; V564-V667 HydrophobicContact CG1-CG1 3.81Å; V564-V667 HydrophobicContact CG2-CB 4.36Å
565	C	91.1	Very high	77.4	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.034	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-78.4	154.8	173.7	-57.3	0	0	0	0	111.4	C428 G429 W665 A666 V667	C428-C565 HydrophobicContact CB-CB 4.08Å; C428-C565 WeakPolarHBondContact CB-SG 3.5Å; C428-C565 PolarHBondContact O-SG 2.88Å; C428-C565 WeakPolarHBondContact SG-CA 3.49Å; C428-C565 WeakPolarHBondContact SG-CB 3.39Å; C428-C565 CovalentContact SG-SG 2.05Å; C428-C565 PolarHBondContact SG-SG 3.35Å; G429-C565 PolarHBondContact N-SG 3.17Å; C565-W665 WeakPolarHBondContact CB-O 3.35Å; C565-W665 PolarHBondContact N-O 3Å; C565-W665 VanDerWaalsContact N-O 3.12Å; C565-A666 HydrophobicContact CB-CB 4.18Å; C565-A666 CarbonylContact O-C 3.57Å; C565-A666 WeakPolarHBondContact O-CA 3.44Å; C565-V667 PolarHBondContact O-N 3.38Å
566	L	89.9	Confident	76.2	Confident	7 Å²	7	76.2 Å²	76.2	4%	0.037	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-74.9	155.2	162.1	-72.4	178.9	0	0	0	110	L479 V667 V691 L695 I698 W708	L479-L566 HydrophobicContact CD1-CD2 4.4Å; L479-L566 HydrophobicContact CD2-CD2 3.89Å; L479-L566 HydrophobicContact CD2-CG 4.46Å; L566-V667 HydrophobicContact CD2-CG1 4.12Å; L566-V691 HydrophobicContact CD2-CG1 4.23Å; L566-L695 HydrophobicContact CB-CD2 3.91Å; L566-L695 HydrophobicContact CD1-CD2 4.02Å; L566-L695 HydrophobicContact CD2-CD2 4.31Å; L566-L695 HydrophobicContact CG-CD2 4.3Å; L566-I698 HydrophobicContact CD1-CB 4.39Å; L566-I698 HydrophobicContact CD1-CG2 3.74Å; L566-I698 HydrophobicContact CD2-CD1 3.99Å; L566-I698 HydrophobicContact CD2-CG2 4.37Å; L566-W708 HydrophobicContact CB-CE3 3.96Å; L566-W708 HydrophobicContact CB-CZ3 4.43Å; L566-W708 HydrophobicContact CD1-CD2 4.22Å; L566-W708 HydrophobicContact CD1-CE3 3.26Å; L566-W708 HydrophobicContact CD1-CH2 4.18Å; L566-W708 HydrophobicContact CD1-CZ3 3.25Å; L566-W708 HydrophobicContact CG-CE3 3.47Å; L566-W708 VanDerWaalsContact CG-CE3 3.47Å; L566-W708 HydrophobicContact CG-CZ3 3.47Å; L566-W708 VanDerWaalsContact CG-CZ3 3.47Å
567	P	86.8	Confident	75.2	Confident	5 Å²	5	71.7 Å²	71.7	3%	0.032	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-67.7	150.7	174.9	28.3	-32.1	0	0	0	109.7	A569 V667 F668 V691 E692 L695	P567-A569 PolarHBondContact O-N 3.39Å; P567-V667 WeakPolarHBondContact CD-O 3.37Å; P567-V667 WeakPolarHBondContact CG-O 3.4Å; P567-F668 HydrophobicContact CB-CD1 3.63Å; P567-F668 HydrophobicContact CB-CE1 3.39Å; P567-F668 HydrophobicContact CB-CE2 4.39Å; P567-F668 HydrophobicContact CB-CG 4.22Å; P567-F668 HydrophobicContact CB-CZ 3.83Å; P567-F668 HydrophobicContact CG-CD1 4.45Å; P567-V691 HydrophobicContact CG-CB 4.45Å; P567-V691 HydrophobicContact CG-CG1 4.12Å; P567-E692 HydrophobicContact CB-CG 3.88Å; P567-E692 HydrophobicContact CG-CG 3.8Å; P567-L695 HydrophobicContact CG-CD2 3.98Å; P567-L695 WeakPolarHBondContact O-CD1 3.32Å
568	P	77.8	Confident	74.8	Confident	67 Å²	67	70.4 Å²	70.4	44%	0.435	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-60.4	140.3	178.9	25.4	-33.1	0	0	0	110.6
569	A	67.8	Low	74.7	Confident	68 Å²	68	72.1 Å²	72.1	56%	0.562	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-59.4	139	178.6	0	0	0	0	0	111.5	P567 Q571 L695	P567-A569 PolarHBondContact O-N 3.39Å; A569-Q571 PolarHBondContact O-N 2.56Å; A569-L695 HydrophobicContact CB-CD1 4.28Å
570	H	60.9	Low	74.7	Confident	117 Å²	117	66 Å²	66	54%	0.542	35%	0.352	S	S	.	.			trans	-67.6	100.2	179.6	-175.1	-74.1	0	0	0	110.4
571	Q	57.8	Low	74.4	Confident	124 Å²	124	69.6 Å²	69.6	58%	0.579	37%	0.372	S	S	*	.			trans	-79.3	134.1	168.2	-72.2	177	-12.7	0	0	108.8	A569 D573 R574	A569-Q571 PolarHBondContact O-N 2.56Å; Q571-D573 PolarHBondContact O-N 3.35Å; Q571-R574 PolarHBondContact O-N 2.72Å
572	Q	50	Low	74.2	Confident	192 Å²	192	70.9 Å²	70.9	90%	0.897	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.6	-173.8	-80.1	164.1	-22.3	0	0	114.7
573	D	48.6	Very low	74.1	Confident	164 Å²	164	73.2 Å²	73.2	88%	0.877	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	3.8	177.9	-73.1	-33.3	0	0	0	115.3	Q571	Q571-D573 PolarHBondContact O-N 3.35Å
574	R	52.3	Low	73.9	Confident	172 Å²	172	73.2 Å²	73.2	65%	0.649	40%	0.396	S	S	*	.	S	Bend	trans	-114	127.4	177	-76.1	-173.8	174.9	-176.5	1.1	111.1	Q571	Q571-R574 PolarHBondContact O-N 2.72Å
575	P	57.7	Low	73.8	Confident	108 Å²	108	73.8 Å²	73.8	70%	0.701	40%	0.399	S	S	*	.			trans	-60	147.2	173.2	25.1	-31.8	0	0	0	110.3	S577	P575-S577 PolarHBondContact O-N 3.38Å
576	S	62.8	Low	73.7	Confident	37 Å²	37	73.7 Å²	73.7	26%	0.259	40%	0.398	S	S	.	.			trans	-50.3	135.1	176.6	174.6	0	0	0	0	110.6	L578 E692	S576-L578 PolarHBondContact O-N 2.78Å; S576-L578 PolarHBondContact OG-N 3.31Å; S576-E692 PolarHBondContact OG-OE2 3.24Å
577	S	66.6	Low	73.7	Confident	49 Å²	49	73.4 Å²	73.4	34%	0.343	40%	0.397	S	S	.	.	S	Bend	trans	-63.6	-20.3	179.6	-33.8	0	0	0	0	112.4	P575 L579 E692	P575-S577 PolarHBondContact O-N 3.38Å; S577-L579 PolarHBondContact O-N 3.04Å; S577-E692 WeakPolarHBondContact CB-OE1 3.26Å; S577-E692 PolarHBondContact OG-OE1 3.44Å; S577-E692 VanDerWaalsContact OG-OE1 3.05Å
578	L	77.3	Confident	73.6	Confident	12 Å²	12	73.4 Å²	73.4	6%	0.063	40%	0.397	C	S	.	.			trans	-85.6	72.1	177.3	-77	164.4	0	0	0	110.9	S576 V613 F637 F657 M659 F668 R690	S576-L578 PolarHBondContact O-N 2.78Å; S576-L578 PolarHBondContact OG-N 3.31Å; L578-V613 HydrophobicContact CD2-CG2 3.97Å; L578-F637 HydrophobicContact CD1-CD1 4.13Å; L578-F637 HydrophobicContact CD1-CE1 4.15Å; L578-F637 HydrophobicContact CD2-CE2 4.2Å; L578-F637 HydrophobicContact CD2-CZ 4.18Å; L578-F657 HydrophobicContact CD2-CE1 4.49Å; L578-M659 HydrophobicContact CD2-CE 3.63Å; L578-M659 HydrophobicContact CD2-SD 4.1Å; L578-M659 HydrophobicContact CG-CE 4.14Å; L578-F668 HydrophobicContact CD1-CB 4.19Å; L578-F668 HydrophobicContact CD1-CD1 4.26Å; L578-F668 HydrophobicContact CD2-CB 3.85Å; L578-F668 HydrophobicContact CD2-CD1 4.36Å; L578-F668 HydrophobicContact CD2-CG 4.31Å; L578-F668 HydrophobicContact CG-CB 4.15Å; L578-F668 HydrophobicContact CG-CD1 3.92Å; L578-F668 HydrophobicContact CG-CG 4.35Å; L578-R690 HydrophobicContact CD1-CG 3.98Å
579	L	81.6	Confident	73.9	Confident	104 Å²	104	70.6 Å²	70.6	55%	0.545	38%	0.378	S	S	.	.			trans	-77	142.9	174.2	-65.4	171.9	0	0	0	111	S577 N581 S582	S577-L579 PolarHBondContact O-N 3.04Å; L579-N581 PolarHBondContact O-N 3.46Å; L579-S582 WeakPolarHBondContact O-CB 3.2Å; L579-S582 PolarHBondContact O-N 3.23Å; L579-S582 PolarHBondContact O-OG 2.97Å
580	P	84.8	Confident	73.9	Confident	69 Å²	69	67.9 Å²	67.9	45%	0.448	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	140.9	171.4	-24.7	33.7	0	0	0	111.6	S582 P615	P580-S582 PolarHBondContact O-N 3.47Å; P580-P615 HydrophobicContact CB-CG 4.02Å
581	N	83.8	Confident	74	Confident	121 Å²	121	63.9 Å²	63.9	65%	0.647	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	0.9	-173	-51.8	-61.2	0	0	0	116.3	L579 V613	L579-N581 PolarHBondContact O-N 3.46Å; N581-V613 PolarHBondContact N-O 3.46Å
582	S	87.6	Confident	73.7	Confident	30 Å²	30	61.4 Å²	61.4	21%	0.21	34%	0.335	C	S	.	.			trans	-60.8	142.6	165.2	62	0	0	0	0	110.1	L579 P580 P612 V613	L579-S582 WeakPolarHBondContact O-CB 3.2Å; L579-S582 PolarHBondContact O-N 3.23Å; L579-S582 PolarHBondContact O-OG 2.97Å; P580-S582 PolarHBondContact O-N 3.47Å; S582-P612 CarbonylContact O-C 3.52Å; S582-P612 VanDerWaalsContact O-CA 3.3Å; S582-P612 WeakPolarHBondContact O-CA 3.49Å; S582-V613 PolarHBondContact O-N 2.99Å; S582-V613 VanDerWaalsContact OG-CG2 3.29Å; S582-V613 WeakPolarHBondContact OG-CG2 3.38Å
583	L	86.3	Confident	73.5	Confident	86 Å²	86	57.7 Å²	57.7	45%	0.45	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.3	-174.6	-62.7	167.3	0	0	0	110.2	K610 L611 P612	L583-K610 HydrophobicContact CB-CD 4.27Å; L583-K610 HydrophobicContact CB-CG 4.07Å; L583-K610 HydrophobicContact CD1-CD 4.29Å; L583-K610 VanDerWaalsContact CD1-CE 3.45Å; L583-K610 HydrophobicContact CD2-CG 4.47Å; L583-L611 WeakPolarHBondContact CA-O 3.26Å; L583-P612 HydrophobicContact CD2-CB 3.84Å
584	G	88.5	Confident	73.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	168	169.7	0	0	0	0	0	112.6	K610 L611 V658	G584-K610 CarbonylContact O-C 3.5Å; G584-K610 VanDerWaalsContact O-CA 3.32Å; G584-K610 WeakPolarHBondContact O-CA 3.38Å; G584-L611 PolarHBondContact N-O 3.01Å; G584-L611 PolarHBondContact O-N 1.99Å; G584-V658 VanDerWaalsContact CA-O 3.32Å; G584-V658 WeakPolarHBondContact CA-O 3.49Å
585	L	89.9	Confident	72.5	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.7	173.7	-61.9	173.4	0	0	0	109.4	L435 F453 Y608 V609 K610 F657 V658 W665	L435-L585 HydrophobicContact CD1-CD1 3.68Å; L435-L585 HydrophobicContact CD2-CD1 4.16Å; L435-L585 HydrophobicContact CG-CD1 4.39Å; F453-L585 HydrophobicContact CE1-CB 4.09Å; F453-L585 HydrophobicContact CE1-CD1 4.21Å; F453-L585 HydrophobicContact CZ-CB 4.28Å; F453-L585 HydrophobicContact CZ-CD1 4.13Å; L585-Y608 HydrophobicContact CD2-CD2 4.07Å; L585-Y608 HydrophobicContact CD2-CE2 4.37Å; L585-V609 WeakPolarHBondContact CA-O 3.29Å; L585-K610 HydrophobicContact CD2-CB 3.69Å; L585-K610 HydrophobicContact CD2-CD 4.26Å; L585-K610 HydrophobicContact CD2-CG 3.83Å; L585-F657 WeakPolarHBondContact O-CA 3.26Å; L585-V658 HydrophobicContact CB-CG2 4Å; L585-V658 PolarHBondContact N-O 3.26Å; L585-V658 WeakPolarHBondContact O-CG2 3.41Å; L585-V658 PolarHBondContact O-N 3.23Å; L585-W665 HydrophobicContact CD1-CH2 3.57Å; L585-W665 HydrophobicContact CD1-CZ2 4.49Å; L585-W665 HydrophobicContact CD1-CZ3 3.71Å; L585-W665 HydrophobicContact CG-CH2 4.4Å; L585-W665 HydrophobicContact CG-CZ3 4.24Å
586	V	89.3	Confident	71.6	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.9	168.2	-172.8	0	0	0	0	107.6	Y608 V609 L611 T648 F657 V671 Y688	V586-Y608 CarbonylContact O-C 3.48Å; V586-Y608 WeakPolarHBondContact O-CA 3.49Å; V586-Y608 WeakPolarHBondContact O-CB 3.39Å; V586-V609 HydrophobicContact CB-CG1 4.35Å; V586-V609 PolarHBondContact N-O 2.99Å; V586-V609 PolarHBondContact O-N 3Å; V586-L611 HydrophobicContact CG2-CD1 4.46Å; V586-T648 HydrophobicContact CB-CG2 3.91Å; V586-T648 HydrophobicContact CG1-CG2 3.62Å; V586-T648 HydrophobicContact CG2-CG2 4.07Å; V586-F657 HydrophobicContact CG2-CB 4.1Å; V586-F657 HydrophobicContact CG2-CD2 3.5Å; V586-F657 VanDerWaalsContact CG2-CD2 3.5Å; V586-F657 HydrophobicContact CG2-CE2 4.36Å; V586-F657 HydrophobicContact CG2-CG 4.19Å; V586-V671 HydrophobicContact CG1-CG2 3.88Å; V586-Y688 HydrophobicContact CG2-CE1 3.84Å
587	A	88.9	Confident	70.3	Confident	2 Å²	2	54.3 Å²	54.3	2%	0.017	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.4	176.1	0	0	0	0	0	110.6	F453 Q456 L606 Q607	F453-A587 HydrophobicContact CD1-CB 4.04Å; F453-A587 HydrophobicContact CD2-CB 3.87Å; F453-A587 HydrophobicContact CE1-CB 4.18Å; F453-A587 HydrophobicContact CE2-CB 4.03Å; F453-A587 HydrophobicContact CG-CB 3.89Å; F453-A587 HydrophobicContact CZ-CB 4.17Å; Q456-A587 PolarHBondContact NE2-O 2.82Å; Q456-A587 PolarHBondContact OE1-O 2.97Å; A587-L606 HydrophobicContact CB-CD1 4.14Å; A587-L606 HydrophobicContact CB-CG 4.48Å; A587-Q607 CarbonylContact C-O 3.35Å; A587-Q607 WeakPolarHBondContact CA-O 3.47Å
588	G	86	Confident	69	Low	4 Å²	4	58.1 Å²	58.1	4%	0.041	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	177.4	-179.2	0	0	0	0	0	113.6	Q607 D652	G588-Q607 PolarHBondContact N-O 2.86Å; G588-Q607 PolarHBondContact O-N 3.4Å; G588-D652 VanDerWaalsContact CA-OD1 3.25Å; G588-D652 WeakPolarHBondContact CA-OD1 3.3Å
589	W	82.9	Confident	67.2	Low	9 Å²	9	61.3 Å²	61.3	3%	0.034	38%	0.382	C	S	.	.			trans	-108.1	20.3	-178.9	-67.4	-90	0	0	0	112.2	Q456 L458 L514 L517 S603 L606 D652	Q456-W589 HydrophobicContact CG-CH2 3.68Å; Q456-W589 HydrophobicContact CG-CZ3 3.7Å; L458-W589 HydrophobicContact CB-CE3 4.39Å; L458-W589 HydrophobicContact CB-CH2 4.21Å; L458-W589 HydrophobicContact CB-CZ3 3.85Å; L458-W589 HydrophobicContact CD1-CE3 3.97Å; L458-W589 HydrophobicContact CD1-CZ3 4.28Å; L514-W589 HydrophobicContact CB-CZ2 4.45Å; L514-W589 HydrophobicContact CD2-CZ2 4.49Å; L514-W589 HydrophobicContact CG-CZ2 4.35Å; L514-W589 VanDerWaalsContact O-CZ2 3.28Å; L514-W589 WeakPolarHBondContact O-CZ2 3.49Å; L517-W589 HydrophobicContact CD1-CB 4.34Å; L517-W589 HydrophobicContact CD1-CG 4.3Å; L517-W589 HydrophobicContact CD2-CD2 4.37Å; L517-W589 HydrophobicContact CD2-CG 4.19Å; L517-W589 HydrophobicContact CG-CG 4.26Å; W589-S603 PolarHBondContact O-N 2.95Å; W589-L606 HydrophobicContact CD2-CD1 3.89Å; W589-L606 HydrophobicContact CE3-CD1 3.96Å; W589-L606 HydrophobicContact CH2-CD1 3.87Å; W589-L606 HydrophobicContact CZ2-CB 3.84Å; W589-L606 HydrophobicContact CZ2-CD1 3.79Å; W589-L606 HydrophobicContact CZ2-CD2 4.43Å; W589-L606 HydrophobicContact CZ2-CG 4.23Å; W589-L606 HydrophobicContact CZ3-CD1 3.95Å; W589-D652 PolarHBondContact N-OD1 2.93Å
590	G	68.6	Low	65.6	Low	11 Å²	11	61.1 Å²	61.1	11%	0.113	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-56.1	165.4	-175.5	0	0	0	0	0	116	L650 D652	G590-L650 CarbonylContact C-O 3.58Å; G590-L650 WeakPolarHBondContact CA-O 3.09Å; G590-D652 WeakPolarHBondContact CA-OD1 3.18Å; G590-D652 PolarHBondContact N-OD1 2.84Å
591	I	62.7	Low	64.2	Low	33 Å²	33	63.1 Å²	63.1	17%	0.169	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-67.9	126.9	-176.7	-59.8	168	0	0	0	110.2	P600 T602 C649 L650	I591-P600 HydrophobicContact CD1-CB 4.01Å; I591-P600 HydrophobicContact CG2-CB 3.97Å; I591-T602 HydrophobicContact CG1-CG2 4.05Å; I591-C649 WeakPolarHBondContact O-CB 3.46Å; I591-L650 HydrophobicContact CD1-CB 3.51Å; I591-L650 HydrophobicContact CD1-CD1 3.96Å; I591-L650 HydrophobicContact CD1-CG 4.39Å; I591-L650 HydrophobicContact CG1-CB 4.21Å; I591-L650 WeakPolarHBondContact CG1-O 3.42Å; I591-L650 PolarHBondContact N-O 3.07Å
592	S	50.8	Low	63.3	Low	71 Å²	71	60.8 Å²	60.8	50%	0.497	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-100.7	121.8	174.5	72	0	0	0	0	111.3	A594	S592-A594 PolarHBondContact O-N 3.36Å
593	N	47.4	Very low	62.6	Low	115 Å²	115	60.7 Å²	60.7	62%	0.615	38%	0.383	S	S	*	.			trans	-74.3	56.8	174.5	-84	-4.3	0	0	0	112.3
594	A	43.7	Very low	62.1	Low	83 Å²	83	59.4 Å²	59.4	69%	0.686	38%	0.377	S	S	*	.			trans	-128.3	46.7	-179.3	0	0	0	0	0	111.9	S592	S592-A594 PolarHBondContact O-N 3.36Å
595	S	36	Very low	62	Low	77 Å²	77	62.7 Å²	62.7	54%	0.538	39%	0.394	S	S	.	.			trans	-164.2	141.2	153.2	58.6	0	0	0	0	112	N597	S595-N597 PolarHBondContact O-N 3.02Å
596	S	37.9	Very low	61.9	Low	127 Å²	127	62.3 Å²	62.3	89%	0.888	39%	0.392	S	S	*	.	S	Bend	trans	-77.5	52.8	179.6	57	0	0	0	0	112.8
597	N	34.8	Very low	61.7	Low	123 Å²	123	64.2 Å²	64.2	66%	0.658	40%	0.401	S	S	*	.	S	Bend	trans	-131.1	150.9	174.8	-93	-16.5	0	0	0	110.8	S595 S599	S595-N597 PolarHBondContact O-N 3.02Å; N597-S599 PolarHBondContact O-N 3.13Å
598	P	40.4	Very low	61.6	Low	129 Å²	129	64.9 Å²	64.9	84%	0.838	40%	0.403	S	S	*	.	S	Bend	trans	-80.6	15.4	-166.2	-2.9	21.7	0	0	0	114.9
599	S	38.6	Very low	61.4	Low	78 Å²	78	65.5 Å²	65.5	55%	0.545	41%	0.406	S	S	.	.	S	Bend	trans	-117.1	121.3	-178.1	-48.6	0	0	0	0	109.2	N597 L601	N597-S599 PolarHBondContact O-N 3.13Å; S599-L601 PolarHBondContact O-N 2.85Å
600	P	49	Very low	61.5	Low	101 Å²	101	68.2 Å²	68.2	66%	0.656	42%	0.418	S	S	*	.			trans	-70	113.8	177.1	26.5	-29.9	0	0	0	109.8	I591	I591-P600 HydrophobicContact CD1-CB 4.01Å; I591-P600 HydrophobicContact CG2-CB 3.97Å
601	L	55	Low	62.4	Low	110 Å²	110	67.7 Å²	67.7	58%	0.576	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-95.6	120.3	174.9	-85.7	106.4	0	0	0	110.6	S599	S599-L601 PolarHBondContact O-N 2.85Å
602	T	64.6	Low	63.6	Low	73 Å²	73	66.9 Å²	66.9	45%	0.448	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-67.3	147.3	163.8	48.4	0	0	0	0	110.5	I591	I591-T602 HydrophobicContact CG1-CG2 4.05Å
603	S	72.5	Confident	65.5	Low	28 Å²	28	63.7 Å²	63.7	20%	0.196	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-72.9	132.9	175.6	-174.4	0	0	0	0	111.3	W589 L605	W589-S603 PolarHBondContact O-N 2.95Å; S603-L605 VanDerWaalsContact C-N 3.31Å; S603-L605 PolarHBondContact O-N 2.67Å; S603-L605 PolarHBondContact OG-N 2.84Å; S603-L605 PolarHBondContact OG-O 3.49Å; S603-L605 VanDerWaalsContact OG-O 3.05Å
604	D	77.7	Confident	67.6	Low	59 Å²	59	58.8 Å²	58.8	32%	0.316	36%	0.361	S	S	.	.	S	Bend	trans	-67.8	-31	175.4	-74.1	-55.4	0	0	0	112.5	S516 L517 R518	S516-D604 CarbonylContact C-O 3.55Å; S516-D604 WeakPolarHBondContact CA-O 3.04Å; L517-D604 PolarHBondContact N-O 3.02Å; R518-D604 HydrophobicContact CG-CB 4.45Å; R518-D604 IonicContact CZ-OD2 3.1Å; R518-D604 IonicContact NE-OD1 3.22Å; R518-D604 PolarHBondContact NE-OD1 2.52Å; R518-D604 IonicContact NE-OD2 2.85Å; R518-D604 PolarHBondContact NE-OD2 3Å; R518-D604 IonicContact NH2-OD2 2.7Å; R518-D604 PolarHBondContact NH2-OD2 2.81Å
605	L	85.1	Confident	69.9	Low	69 Å²	69	56.3 Å²	56.3	36%	0.361	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-103.1	139.1	-177.9	-67.7	175.1	0	0	0	110.6	S603 Q607	S603-L605 VanDerWaalsContact C-N 3.31Å; S603-L605 PolarHBondContact O-N 2.67Å; S603-L605 PolarHBondContact OG-N 2.84Å; S603-L605 PolarHBondContact OG-O 3.49Å; S603-L605 VanDerWaalsContact OG-O 3.05Å; L605-Q607 WeakPolarHBondContact O-CG 3.37Å; L605-Q607 PolarHBondContact O-N 2.97Å; L605-Q607 VanDerWaalsContact O-N 3.15Å; L605-Q607 PolarHBondContact O-NE2 2.87Å
606	L	87.5	Confident	72.4	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.026	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-54.8	121.5	174.7	-179.7	63.7	0	0	0	109.8	S448 Q456 H515 A587 W589	S448-L606 VanDerWaalsContact CB-O 3.23Å; S448-L606 WeakPolarHBondContact CB-O 2.97Å; S448-L606 PolarHBondContact N-O 2.94Å; Q456-L606 HydrophobicContact CB-CD2 4.32Å; Q456-L606 HydrophobicContact CG-CD1 3.93Å; Q456-L606 HydrophobicContact CG-CD2 4.04Å; H515-L606 PolarHBondContact O-N 2.9Å; A587-L606 HydrophobicContact CB-CD1 4.14Å; A587-L606 HydrophobicContact CB-CG 4.48Å; W589-L606 HydrophobicContact CD2-CD1 3.89Å; W589-L606 HydrophobicContact CE3-CD1 3.96Å; W589-L606 HydrophobicContact CH2-CD1 3.87Å; W589-L606 HydrophobicContact CZ2-CB 3.84Å; W589-L606 HydrophobicContact CZ2-CD1 3.79Å; W589-L606 HydrophobicContact CZ2-CD2 4.43Å; W589-L606 HydrophobicContact CZ2-CG 4.23Å; W589-L606 HydrophobicContact CZ3-CD1 3.95Å
607	Q	85.3	Confident	74.9	Confident	42 Å²	42	54 Å²	54	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	161.3	176.3	-57.5	-59.1	-60.8	0	0	110	R446 S447 A587 G588 L605	R446-Q607 CarbonylContact O-C 3.51Å; R446-Q607 VanDerWaalsContact O-CA 3.27Å; R446-Q607 WeakPolarHBondContact O-CA 3.14Å; R446-Q607 PolarHBondContact O-OE1 3.34Å; S447-Q607 PolarHBondContact OG-NE2 2.96Å; S447-Q607 VanDerWaalsContact OG-NE2 3.11Å; A587-Q607 CarbonylContact C-O 3.35Å; A587-Q607 WeakPolarHBondContact CA-O 3.47Å; G588-Q607 PolarHBondContact N-O 2.86Å; G588-Q607 PolarHBondContact O-N 3.4Å; L605-Q607 WeakPolarHBondContact O-CG 3.37Å; L605-Q607 PolarHBondContact O-N 2.97Å; L605-Q607 VanDerWaalsContact O-N 3.15Å; L605-Q607 PolarHBondContact O-NE2 2.87Å
608	Y	86.5	Confident	77.5	Confident	15 Å²	15	51 Å²	51	6%	0.059	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.9	167	74.3	-81.5	0	0	0	112.2	R446 F452 F453 L585 V586	R446-Y608 HydrophobicContact CB-CD1 4.37Å; R446-Y608 HydrophobicContact CB-CE1 3.86Å; R446-Y608 PolarHBondContact N-O 3.14Å; R446-Y608 WeakPolarHBondContact O-CD1 3.23Å; R446-Y608 PolarHBondContact O-N 3.02Å; F452-Y608 HydrophobicContact CD2-CE1 4.38Å; F453-Y608 AromaticContact CE2-CD1 3.96Å; F453-Y608 HydrophobicContact CE2-CD1 3.96Å; F453-Y608 HydrophobicContact CE2-CD2 4.35Å; F453-Y608 AromaticContact CE2-CG 3.71Å; F453-Y608 HydrophobicContact CE2-CG 3.71Å; F453-Y608 HydrophobicContact CZ-CD2 4.09Å; F453-Y608 AromaticContact CZ-CG 3.85Å; F453-Y608 HydrophobicContact CZ-CG 3.85Å; L585-Y608 HydrophobicContact CD2-CD2 4.07Å; L585-Y608 HydrophobicContact CD2-CE2 4.37Å; V586-Y608 CarbonylContact O-C 3.48Å; V586-Y608 WeakPolarHBondContact O-CA 3.49Å; V586-Y608 WeakPolarHBondContact O-CB 3.39Å
609	V	83.2	Confident	79.8	Confident	18 Å²	18	44.9 Å²	44.9	11%	0.109	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.8	177.9	64.9	0	0	0	0	110.4	L585 V586 L611 R646	L585-V609 WeakPolarHBondContact CA-O 3.29Å; V586-V609 HydrophobicContact CB-CG1 4.35Å; V586-V609 PolarHBondContact N-O 2.99Å; V586-V609 PolarHBondContact O-N 3Å; V609-L611 HydrophobicContact CG1-CD1 3.97Å; V609-L611 HydrophobicContact CG1-CD2 4.34Å; V609-L611 HydrophobicContact CG1-CG 3.94Å; V609-L611 HydrophobicContact CG2-CD2 3.8Å; V609-L611 HydrophobicContact CG2-CG 4.16Å; V609-R646 HydrophobicContact CG2-CB 4.29Å
610	K	85.2	Confident	82.2	Confident	65 Å²	65	44.5 Å²	44.5	28%	0.283	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.1	174.2	-167.2	172.7	-170.9	177.8	0	109.7	I442 L583 G584 L585	I442-K610 HydrophobicContact CD1-CB 3.92Å; L583-K610 HydrophobicContact CB-CD 4.27Å; L583-K610 HydrophobicContact CB-CG 4.07Å; L583-K610 HydrophobicContact CD1-CD 4.29Å; L583-K610 VanDerWaalsContact CD1-CE 3.45Å; L583-K610 HydrophobicContact CD2-CG 4.47Å; G584-K610 CarbonylContact O-C 3.5Å; G584-K610 VanDerWaalsContact O-CA 3.32Å; G584-K610 WeakPolarHBondContact O-CA 3.38Å; L585-K610 HydrophobicContact CD2-CB 3.69Å; L585-K610 HydrophobicContact CD2-CD 4.26Å; L585-K610 HydrophobicContact CD2-CG 3.83Å
611	L	86.1	Confident	84	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.4	-173.8	-61.1	175.4	0	0	0	110.9	L583 G584 V586 V609 A639 F641 R646 T648 F657 Y688	L583-L611 WeakPolarHBondContact CA-O 3.26Å; G584-L611 PolarHBondContact N-O 3.01Å; G584-L611 PolarHBondContact O-N 1.99Å; V586-L611 HydrophobicContact CG2-CD1 4.46Å; V609-L611 HydrophobicContact CG1-CD1 3.97Å; V609-L611 HydrophobicContact CG1-CD2 4.34Å; V609-L611 HydrophobicContact CG1-CG 3.94Å; V609-L611 HydrophobicContact CG2-CD2 3.8Å; V609-L611 HydrophobicContact CG2-CG 4.16Å; L611-A639 HydrophobicContact CB-CB 4.04Å; L611-F641 HydrophobicContact CD2-CD2 4.26Å; L611-F641 HydrophobicContact CD2-CE2 4Å; L611-R646 HydrophobicContact CD2-CB 4.31Å; L611-T648 HydrophobicContact CD1-CG2 4.21Å; L611-F657 HydrophobicContact CB-CE2 4.25Å; L611-Y688 WeakPolarHBondContact CD1-OH 3.44Å
612	P	88.6	Confident	85.5	Confident	16 Å²	16	38 Å²	38	10%	0.104	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	142.3	171.9	32.2	-31.5	0	0	0	110.8	S582 L583 V614 A639 G640 F641	S582-P612 CarbonylContact O-C 3.52Å; S582-P612 VanDerWaalsContact O-CA 3.3Å; S582-P612 WeakPolarHBondContact O-CA 3.49Å; L583-P612 HydrophobicContact CD2-CB 3.84Å; P612-V614 PolarHBondContact O-N 3.39Å; P612-A639 CarbonylContact O-C 3.47Å; P612-A639 WeakPolarHBondContact O-CA 3.35Å; P612-A639 WeakPolarHBondContact O-CB 3.26Å; P612-G640 WeakPolarHBondContact CG-O 3.26Å; P612-G640 PolarHBondContact O-N 3.36Å; P612-F641 HydrophobicContact CG-CD1 3.97Å; P612-F641 HydrophobicContact CG-CE1 3.82Å; P612-F641 HydrophobicContact CG-CG 4.5Å; P612-F641 HydrophobicContact CG-CZ 4.22Å
613	V	91.1	Very high	86.5	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	128.2	167.7	177.1	0	0	0	0	109	L578 N581 S582 F637 F657	L578-V613 HydrophobicContact CD2-CG2 3.97Å; N581-V613 PolarHBondContact N-O 3.46Å; S582-V613 PolarHBondContact O-N 2.99Å; S582-V613 VanDerWaalsContact OG-CG2 3.29Å; S582-V613 WeakPolarHBondContact OG-CG2 3.38Å; V613-F637 HydrophobicContact CG1-CD2 4.18Å; V613-F637 HydrophobicContact CG2-CD2 4.38Å; V613-F637 HydrophobicContact CG2-CE2 4.24Å; V613-F657 HydrophobicContact CG2-CE1 4.09Å; V613-F657 HydrophobicContact CG2-CZ 3.87Å
614	V	91	Very high	87	Confident	11 Å²	11	37.3 Å²	37.3	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	141	179.8	-179.6	0	0	0	0	109.2	P612 E618 C619 C638 G640 Y685	P612-V614 PolarHBondContact O-N 3.39Å; V614-E618 HydrophobicContact CG1-CB 4.09Å; V614-E618 HydrophobicContact CG1-CG 4.16Å; V614-C619 HydrophobicContact CG1-CB 4.4Å; V614-C638 HydrophobicContact CB-CB 4.16Å; V614-C638 PolarHBondContact N-O 3.15Å; V614-G640 WeakPolarHBondContact CG2-O 3.45Å; V614-Y685 HydrophobicContact CG1-CD2 3.92Å; V614-Y685 HydrophobicContact CG1-CE1 4.49Å; V614-Y685 HydrophobicContact CG1-CE2 3.71Å; V614-Y685 HydrophobicContact CG1-CG 4.4Å; V614-Y685 HydrophobicContact CG2-CD1 3.75Å; V614-Y685 HydrophobicContact CG2-CD2 4.3Å; V614-Y685 HydrophobicContact CG2-CE1 3.96Å; V614-Y685 HydrophobicContact CG2-CE2 4.48Å; V614-Y685 HydrophobicContact CG2-CG 3.94Å
615	P	91.6	Very high	86.8	Confident	31 Å²	31	39 Å²	39	20%	0.201	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-51.3	138.4	170.2	-24.3	32.5	0	0	0	112.6	P580 D617 E618 C619	P580-P615 HydrophobicContact CB-CG 4.02Å; P615-D617 VanDerWaalsContact C-N 3.34Å; P615-D617 WeakPolarHBondContact CB-OD1 3.38Å; P615-D617 PolarHBondContact O-N 2.56Å; P615-E618 HydrophobicContact CB-CB 4.09Å; P615-E618 PolarHBondContact O-N 3.29Å; P615-C619 PolarHBondContact O-N 3.27Å
616	Q	89.1	Confident	86.2	Confident	44 Å²	44	39.8 Å²	39.8	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-42.1	-173.8	-171.8	76	7.6	0	0	112.3	C619 Q620 T633 M636	Q616-C619 PolarHBondContact O-N 3.45Å; Q616-Q620 WeakPolarHBondContact O-CB 3.43Å; Q616-Q620 WeakPolarHBondContact O-CG 3.47Å; Q616-Q620 PolarHBondContact O-N 3.34Å; Q616-T633 PolarHBondContact NE2-O 3.5Å; Q616-T633 VanDerWaalsContact NE2-O 3.11Å; Q616-M636 PolarHBondContact NE2-O 3.19Å; Q616-M636 PolarHBondContact OE1-O 3.27Å
617	D	89.6	Confident	85.2	Confident	113 Å²	113	41.6 Å²	41.6	60%	0.604	24%	0.24	S	C	*	.	H	α-helix	trans	-63.4	-42.1	177.4	60.8	-35	0	0	0	111.8	P615 Q620 A621	P615-D617 VanDerWaalsContact C-N 3.34Å; P615-D617 WeakPolarHBondContact CB-OD1 3.38Å; P615-D617 PolarHBondContact O-N 2.56Å; D617-Q620 PolarHBondContact O-N 2.76Å; D617-A621 VanDerWaalsContact O-CB 3.26Å; D617-A621 WeakPolarHBondContact O-CB 3.16Å; D617-A621 PolarHBondContact O-N 3.48Å
618	E	89.9	Confident	84.2	Confident	60 Å²	60	47 Å²	47	28%	0.28	28%	0.275	S	S	.	.	H	α-helix	trans	-64.2	-42.9	174.9	-173.6	-176.9	160.1	0	0	111.5	V614 P615 A621 S622 F642 Y685	V614-E618 HydrophobicContact CG1-CB 4.09Å; V614-E618 HydrophobicContact CG1-CG 4.16Å; P615-E618 HydrophobicContact CB-CB 4.09Å; P615-E618 PolarHBondContact O-N 3.29Å; E618-A621 PolarHBondContact O-N 3.47Å; E618-S622 PolarHBondContact O-N 3.14Å; E618-F642 WeakPolarHBondContact OE1-CD2 3.17Å; E618-Y685 HydrophobicContact CG-CE2 4.28Å; E618-Y685 PolarHBondContact OE1-OH 3.25Å
619	C	88.8	Confident	83.1	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-45.1	177.9	-168.4	0	0	0	0	112.3	V614 P615 Q616 A621 S622 Y623 C638 Y685	V614-C619 HydrophobicContact CG1-CB 4.4Å; P615-C619 PolarHBondContact O-N 3.27Å; Q616-C619 PolarHBondContact O-N 3.45Å; C619-A621 PolarHBondContact O-N 3.44Å; C619-S622 PolarHBondContact O-N 2.82Å; C619-Y623 WeakPolarHBondContact O-CD2 3.31Å; C619-Y623 PolarHBondContact O-N 3.01Å; C619-C638 HydrophobicContact CB-CB 3.55Å; C619-C638 WeakPolarHBondContact CB-SG 3.44Å; C619-C638 WeakPolarHBondContact SG-CB 3.49Å; C619-C638 CovalentContact SG-SG 1.99Å; C619-C638 PolarHBondContact SG-SG 2.57Å; C619-Y685 HydrophobicContact CB-CD2 4.5Å
620	Q	89.1	Confident	82.4	Confident	70 Å²	70	59.2 Å²	59.2	33%	0.327	32%	0.32	S	S	.	.	H	α-helix	trans	-57.1	-47.9	174.5	-81.5	171.8	-11.1	0	0	111.5	Q616 D617 S622 Y623 A624 I632	Q616-Q620 WeakPolarHBondContact O-CB 3.43Å; Q616-Q620 WeakPolarHBondContact O-CG 3.47Å; Q616-Q620 PolarHBondContact O-N 3.34Å; D617-Q620 PolarHBondContact O-N 2.76Å; Q620-S622 VanDerWaalsContact C-N 3.31Å; Q620-S622 PolarHBondContact O-N 3.38Å; Q620-Y623 PolarHBondContact O-N 2.91Å; Q620-A624 WeakPolarHBondContact O-CB 3.41Å; Q620-A624 PolarHBondContact O-N 3.16Å; Q620-I632 HydrophobicContact CG-CB 3.69Å; Q620-I632 HydrophobicContact CG-CG2 3.87Å; Q620-I632 PolarHBondContact NE2-O 3.24Å
621	A	87.6	Confident	82.3	Confident	63 Å²	63	61.4 Å²	61.4	52%	0.521	33%	0.334	S	S	.	.	H	α-helix	trans	-61.7	-38.8	178.5	0	0	0	0	0	112.2	D617 E618 C619 S625	D617-A621 VanDerWaalsContact O-CB 3.26Å; D617-A621 WeakPolarHBondContact O-CB 3.16Å; D617-A621 PolarHBondContact O-N 3.48Å; E618-A621 PolarHBondContact O-N 3.47Å; C619-A621 PolarHBondContact O-N 3.44Å; A621-S625 PolarHBondContact O-N 3.13Å
622	S	86.2	Confident	82.4	Confident	10 Å²	10	61.6 Å²	61.6	7%	0.07	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-46.2	178.7	-167.2	0	0	0	0	112.1	E618 C619 Q620 S625 R626 R683	E618-S622 PolarHBondContact O-N 3.14Å; C619-S622 PolarHBondContact O-N 2.82Å; Q620-S622 VanDerWaalsContact C-N 3.31Å; Q620-S622 PolarHBondContact O-N 3.38Å; S622-S625 PolarHBondContact O-OG 2.75Å; S622-R626 WeakPolarHBondContact O-CG 3.42Å; S622-R683 PolarHBondContact OG-O 2.84Å
623	Y	85.4	Confident	82.5	Confident	7 Å²	7	62.1 Å²	62.1	3%	0.027	34%	0.339	C	S	.	.	H	α-helix	trans	-80.6	-33	-177.5	-77.8	-69.8	0	0	0	113.9	C619 Q620 S625 R626 S627 I632 W673 G675 Y685 V687	C619-Y623 WeakPolarHBondContact O-CD2 3.31Å; C619-Y623 PolarHBondContact O-N 3.01Å; Q620-Y623 PolarHBondContact O-N 2.91Å; Y623-S625 PolarHBondContact O-N 2.97Å; Y623-R626 PolarHBondContact O-N 3.2Å; Y623-S627 PolarHBondContact O-N 3.18Å; Y623-S627 VanDerWaalsContact O-N 3.14Å; Y623-I632 HydrophobicContact CD2-CD1 3.68Å; Y623-I632 HydrophobicContact CD2-CG1 3.88Å; Y623-I632 HydrophobicContact CE2-CD1 4.18Å; Y623-I632 HydrophobicContact CG-CD1 4.31Å; Y623-I632 HydrophobicContact CG-CG1 4.34Å; Y623-W673 HydrophobicContact CD1-CH2 4.01Å; Y623-W673 AromaticContact CD1-CZ3 3.81Å; Y623-W673 HydrophobicContact CD1-CZ3 3.81Å; Y623-W673 HydrophobicContact CD2-CH2 4.33Å; Y623-W673 HydrophobicContact CE1-CH2 4.14Å; Y623-W673 AromaticContact CE1-CZ3 3.57Å; Y623-W673 HydrophobicContact CE1-CZ3 3.57Å; Y623-W673 HydrophobicContact CE2-CH2 4.42Å; Y623-W673 HydrophobicContact CE2-CZ3 4.42Å; Y623-W673 HydrophobicContact CG-CH2 4.11Å; Y623-W673 HydrophobicContact CG-CZ3 4.36Å; Y623-W673 AromaticContact CZ-CZ3 3.88Å; Y623-G675 PolarHBondContact OH-N 3.05Å; Y623-Y685 PolarHBondContact OH-O 2.93Å; Y623-V687 HydrophobicContact CD2-CG2 4.42Å; Y623-V687 HydrophobicContact CE2-CG2 3.63Å
624	A	83.3	Confident	82.5	Confident	80 Å²	80	67.2 Å²	67.2	66%	0.661	37%	0.366	S	S	*	.	H	α-helix	trans	-58.6	-30.9	173.7	0	0	0	0	0	112.3	Q620 R626	Q620-A624 WeakPolarHBondContact O-CB 3.41Å; Q620-A624 PolarHBondContact O-N 3.16Å; A624-R626 VanDerWaalsContact C-N 3.28Å; A624-R626 PolarHBondContact O-N 3.17Å
625	S	72	Confident	82.6	Confident	95 Å²	95	68.7 Å²	68.7	66%	0.664	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.8	176.8	74.5	0	0	0	0	114.5	A621 S622 Y623	A621-S625 PolarHBondContact O-N 3.13Å; S622-S625 PolarHBondContact O-OG 2.75Å; Y623-S625 PolarHBondContact O-N 2.97Å
626	R	73.8	Confident	82.7	Confident	86 Å²	86	67.3 Å²	67.3	33%	0.325	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-36.4	-168.9	-64.1	176.9	-170	-110.7	8.4	114.1	S622 Y623 A624 E677 Q682 R683	S622-R626 WeakPolarHBondContact O-CG 3.42Å; Y623-R626 PolarHBondContact O-N 3.2Å; A624-R626 VanDerWaalsContact C-N 3.28Å; A624-R626 PolarHBondContact O-N 3.17Å; R626-E677 IonicContact CZ-OE1 2.79Å; R626-E677 IonicContact NH1-OE1 3.47Å; R626-E677 PolarHBondContact NH1-OE1 2.87Å; R626-E677 IonicContact NH1-OE2 3.84Å; R626-Q682 PolarHBondContact NH2-O 3.46Å; R626-R683 PolarHBondContact NH2-O 2.96Å
627	S	66.9	Low	82.9	Confident	43 Å²	43	65.2 Å²	65.2	30%	0.301	35%	0.354	S	S	.	.			trans	-155.3	140.6	-177.9	-178.2	0	0	0	0	112.6	Y623 R629	Y623-S627 PolarHBondContact O-N 3.18Å; Y623-S627 VanDerWaalsContact O-N 3.14Å; S627-R629 PolarHBondContact OG-N 3.31Å
628	V	63.1	Low	83	Confident	154 Å²	154	59.9 Å²	59.9	93%	0.933	33%	0.325	S	S	*	.	S	Bend	trans	-79.8	-19.3	174.7	-173.8	0	0	0	0	111.9
629	R	64.6	Low	83	Confident	204 Å²	204	57 Å²	57	77%	0.77	31%	0.312	S	S	*	.	S	Bend	trans	-81.1	-27	-177.1	-81	-172	-176	178.7	1	114.3	S627	S627-R629 PolarHBondContact OG-N 3.31Å
630	Y	68.1	Low	82.9	Confident	87 Å²	87	57.2 Å²	57.2	34%	0.341	31%	0.314	S	S	.	.			trans	-108.4	92.4	-172.8	-61.8	-72	0	0	0	110.3	W673	Y630-W673 HydrophobicContact CD1-CE3 4.37Å; Y630-W673 HydrophobicContact CD1-CH2 4.48Å; Y630-W673 HydrophobicContact CD1-CZ3 4.31Å; Y630-W673 HydrophobicContact CG-CH2 4.31Å; Y630-W673 HydrophobicContact CG-CZ3 4.15Å
631	N	82.9	Confident	82.6	Confident	110 Å²	110	56.5 Å²	56.5	59%	0.588	31%	0.31	S	S	*	.			trans	-97.3	129.4	178.6	-169.4	17.6	0	0	0	110.8	T633	N631-T633 PolarHBondContact O-N 3Å
632	I	88.8	Confident	82.2	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	30%	0.304	C	S	.	.			trans	-79.1	111.4	177.4	-59.2	-66.8	0	0	0	109.2	Q620 Y623 M636 W673 V687	Q620-I632 HydrophobicContact CG-CB 3.69Å; Q620-I632 HydrophobicContact CG-CG2 3.87Å; Q620-I632 PolarHBondContact NE2-O 3.24Å; Y623-I632 HydrophobicContact CD2-CD1 3.68Å; Y623-I632 HydrophobicContact CD2-CG1 3.88Å; Y623-I632 HydrophobicContact CE2-CD1 4.18Å; Y623-I632 HydrophobicContact CG-CD1 4.31Å; Y623-I632 HydrophobicContact CG-CG1 4.34Å; I632-M636 HydrophobicContact CG2-CB 4.5Å; I632-W673 HydrophobicContact CD1-CH2 3.69Å; I632-W673 HydrophobicContact CD1-CZ2 3.62Å; I632-V687 HydrophobicContact CD1-CB 4.5Å; I632-V687 HydrophobicContact CD1-CG1 3.91Å; I632-V687 HydrophobicContact CD1-CG2 3.7Å
633	T	90.7	Very high	81.7	Confident	28 Å²	28	63.7 Å²	63.7	17%	0.172	33%	0.331	C	S	.	.			trans	-92	169.3	-178.9	70.5	0	0	0	0	112.4	N543 Q616 N631 N635 M636	N543-T633 HydrophobicContact CB-CG2 4.46Å; N543-T633 PolarHBondContact OD1-OG1 3.13Å; Q616-T633 PolarHBondContact NE2-O 3.5Å; Q616-T633 VanDerWaalsContact NE2-O 3.11Å; N631-T633 PolarHBondContact O-N 3Å; T633-N635 PolarHBondContact O-N 2.85Å; T633-N635 PolarHBondContact OG1-N 3.2Å; T633-M636 HydrophobicContact CG2-CE 4.45Å; T633-M636 PolarHBondContact O-N 3.15Å
634	D	90.3	Very high	80.9	Confident	112 Å²	112	63.9 Å²	63.9	60%	0.599	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.1	174.4	-67.5	-22.1	0	0	0	113.5	M636 R690	D634-M636 PolarHBondContact O-N 3.27Å; D634-R690 PolarHBondContact O-NE 3.37Å
635	N	92.8	Very high	80.1	Confident	41 Å²	41	63.1 Å²	63.1	22%	0.219	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.7	175.4	-70.3	-9.6	0	0	0	112.8	N544 T633 R690 Y694	N544-N635 PolarHBondContact OD1-ND2 3.16Å; T633-N635 PolarHBondContact O-N 2.85Å; T633-N635 PolarHBondContact OG1-N 3.2Å; N635-R690 WeakPolarHBondContact O-CB 3.32Å; N635-R690 PolarHBondContact O-N 3.09Å; N635-Y694 VanDerWaalsContact CB-OH 3.28Å; N635-Y694 WeakPolarHBondContact CB-OH 3.48Å; N635-Y694 PolarHBondContact ND2-OH 2.57Å
636	M	93.3	Very high	79.9	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158.6	179.6	-58.1	175	-171.2	0	0	110.9	Y542 N543 Q616 I632 T633 D634 W673 V687 Y688 R690	Y542-M636 WeakPolarHBondContact O-CE 3.19Å; N543-M636 HydrophobicContact CB-CE 4.15Å; Q616-M636 PolarHBondContact NE2-O 3.19Å; Q616-M636 PolarHBondContact OE1-O 3.27Å; I632-M636 HydrophobicContact CG2-CB 4.5Å; T633-M636 HydrophobicContact CG2-CE 4.45Å; T633-M636 PolarHBondContact O-N 3.15Å; D634-M636 PolarHBondContact O-N 3.27Å; M636-W673 HydrophobicContact SD-CZ2 4.28Å; M636-V687 HydrophobicContact CB-CG1 3.91Å; M636-V687 HydrophobicContact CG-CG1 4.13Å; M636-V687 HydrophobicContact SD-CG1 3.76Å; M636-Y688 CarbonylContact C-O 3.58Å; M636-Y688 VanDerWaalsContact CA-O 3.25Å; M636-Y688 WeakPolarHBondContact CA-O 3.46Å; M636-R690 PolarHBondContact O-NH2 3.4Å
637	F	93.3	Very high	79.4	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	167.1	161.9	73.2	-84.7	0	0	0	109.2	L578 V613 A639 F657 Y688 R690	L578-F637 HydrophobicContact CD1-CD1 4.13Å; L578-F637 HydrophobicContact CD1-CE1 4.15Å; L578-F637 HydrophobicContact CD2-CE2 4.2Å; L578-F637 HydrophobicContact CD2-CZ 4.18Å; V613-F637 HydrophobicContact CG1-CD2 4.18Å; V613-F637 HydrophobicContact CG2-CD2 4.38Å; V613-F637 HydrophobicContact CG2-CE2 4.24Å; F637-A639 HydrophobicContact CE2-CB 4.46Å; F637-F657 HydrophobicContact CE2-CD1 4.15Å; F637-F657 HydrophobicContact CE2-CD2 4.5Å; F637-F657 HydrophobicContact CE2-CE1 4.13Å; F637-F657 HydrophobicContact CE2-CG 4.33Å; F637-F657 HydrophobicContact CE2-CZ 4.31Å; F637-F657 HydrophobicContact CZ-CB 4.32Å; F637-F657 AromaticContact CZ-CD1 3.87Å; F637-F657 HydrophobicContact CZ-CD1 3.87Å; F637-F657 HydrophobicContact CZ-CE1 4.27Å; F637-F657 HydrophobicContact CZ-CG 4.03Å; F637-Y688 HydrophobicContact CE1-CG 4.42Å; F637-Y688 HydrophobicContact CE2-CD2 4.25Å; F637-Y688 HydrophobicContact CE2-CG 4.17Å; F637-Y688 HydrophobicContact CZ-CD1 4.49Å; F637-Y688 AromaticContact CZ-CG 3.97Å; F637-Y688 HydrophobicContact CZ-CG 3.97Å; F637-Y688 PolarHBondContact N-O 3.36Å; F637-Y688 PolarHBondContact O-N 3Å; F637-R690 HydrophobicContact CD1-CB 4.14Å; F637-R690 HydrophobicContact CD1-CG 4.39Å
638	C	91.5	Very high	79.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.4	-178.6	-51.3	0	0	0	0	110.9	V614 C619 G686	V614-C638 HydrophobicContact CB-CB 4.16Å; V614-C638 PolarHBondContact N-O 3.15Å; C619-C638 HydrophobicContact CB-CB 3.55Å; C619-C638 WeakPolarHBondContact CB-SG 3.44Å; C619-C638 WeakPolarHBondContact SG-CB 3.49Å; C619-C638 CovalentContact SG-SG 1.99Å; C619-C638 PolarHBondContact SG-SG 2.57Å; C638-G686 VanDerWaalsContact CA-O 3.26Å; C638-G686 WeakPolarHBondContact CA-O 3.46Å
639	A	89.9	Confident	79.2	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.4	173.3	0	0	0	0	0	110.1	L611 P612 F637 F657 G686 Y688	L611-A639 HydrophobicContact CB-CB 4.04Å; P612-A639 CarbonylContact O-C 3.47Å; P612-A639 WeakPolarHBondContact O-CA 3.35Å; P612-A639 WeakPolarHBondContact O-CB 3.26Å; F637-A639 HydrophobicContact CE2-CB 4.46Å; A639-F657 HydrophobicContact CB-CD2 4.25Å; A639-F657 HydrophobicContact CB-CE2 3.54Å; A639-F657 HydrophobicContact CB-CZ 4.15Å; A639-G686 PolarHBondContact N-O 2.92Å; A639-G686 PolarHBondContact O-N 3.04Å; A639-Y688 HydrophobicContact CB-CD2 4.18Å; A639-Y688 HydrophobicContact CB-CE2 3.69Å
640	G	87.1	Confident	78.8	Confident	4 Å²	4	45.4 Å²	45.4	4%	0.041	25%	0.245	C	C	.	.			trans	156.8	168.2	-175.7	0	0	0	0	0	112.8	P612 V614	P612-G640 WeakPolarHBondContact CG-O 3.26Å; P612-G640 PolarHBondContact O-N 3.36Å; V614-G640 WeakPolarHBondContact CG2-O 3.45Å
641	F	82.1	Confident	78.3	Confident	55 Å²	55	42.4 Å²	42.4	24%	0.241	24%	0.24	C	C	.	.			trans	-96.1	137.9	177.2	-65.2	-81.9	0	0	0	110.7	L611 P612 Q643 G644 R646	L611-F641 HydrophobicContact CD2-CD2 4.26Å; L611-F641 HydrophobicContact CD2-CE2 4Å; P612-F641 HydrophobicContact CG-CD1 3.97Å; P612-F641 HydrophobicContact CG-CE1 3.82Å; P612-F641 HydrophobicContact CG-CG 4.5Å; P612-F641 HydrophobicContact CG-CZ 4.22Å; F641-Q643 VanDerWaalsContact C-N 3.27Å; F641-Q643 PolarHBondContact O-N 2.83Å; F641-G644 PolarHBondContact O-N 3.35Å; F641-R646 HydrophobicContact CD2-CB 4.03Å; F641-R646 HydrophobicContact CD2-CG 4.41Å; F641-R646 HydrophobicContact CE2-CB 4.25Å
642	F	81	Confident	77.6	Confident	89 Å²	89	38 Å²	38	39%	0.39	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-44	178.6	-177.9	-86.2	0	0	0	113.9	E618 G644 Q682 R683 Y685	E618-F642 WeakPolarHBondContact OE1-CD2 3.17Å; F642-G644 PolarHBondContact O-N 2.79Å; F642-Q682 WeakPolarHBondContact O-CG 3.27Å; F642-R683 HydrophobicContact CD2-CG 4.08Å; F642-R683 HydrophobicContact CE1-CG 4.35Å; F642-R683 HydrophobicContact CE2-CG 3.79Å; F642-R683 HydrophobicContact CZ-CG 3.92Å; F642-R683 PolarHBondContact O-N 2.77Å; F642-Y685 WeakPolarHBondContact CA-OH 3.29Å; F642-Y685 WeakPolarHBondContact CD2-OH 3.23Å
643	Q	74.3	Confident	77.3	Confident	136 Å²	136	39 Å²	39	64%	0.636	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.3	-178.6	-68.1	175.2	-19.3	0	0	113.1	F641	F641-Q643 VanDerWaalsContact C-N 3.27Å; F641-Q643 PolarHBondContact O-N 2.83Å
644	G	68.4	Low	77.1	Confident	11 Å²	11	37.7 Å²	37.7	11%	0.113	22%	0.216	C	C	.	.			trans	72.2	-154.9	-168.2	0	0	0	0	0	112.4	F641 F642 R646 G680	F641-G644 PolarHBondContact O-N 3.35Å; F642-G644 PolarHBondContact O-N 2.79Å; G644-R646 VanDerWaalsContact C-N 3.32Å; G644-R646 PolarHBondContact O-N 2.82Å; G644-G680 CarbonylContact C-O 3.57Å; G644-G680 WeakPolarHBondContact CA-O 3.44Å
645	G	66.3	Low	77	Confident	63 Å²	63	32.3 Å²	32.3	65%	0.649	19%	0.187	S	C	*	.	S	Bend	trans	86	-15.8	178.3	0	0	0	0	0	115.3	G680	G645-G680 PolarHBondContact N-O 2.03Å
646	R	69.6	Low	77	Confident	27 Å²	27	30.5 Å²	30.5	10%	0.102	18%	0.178	C	C	.	.			trans	-147.4	121.8	176	-49.9	172.6	-155	173.9	-9.3	109.2	I442 V443 V609 L611 F641 G644	I442-R646 WeakPolarHBondContact O-CD 3.37Å; I442-R646 PolarHBondContact O-NE 2.92Å; I442-R646 PolarHBondContact O-NH1 3.04Å; I442-R646 PolarHBondContact O-NH2 2.85Å; I442-R646 VanDerWaalsContact O-NH2 3.12Å; V443-R646 VanDerWaalsContact CA-NH2 3.29Å; V609-R646 HydrophobicContact CG2-CB 4.29Å; L611-R646 HydrophobicContact CD2-CB 4.31Å; F641-R646 HydrophobicContact CD2-CB 4.03Å; F641-R646 HydrophobicContact CD2-CG 4.41Å; F641-R646 HydrophobicContact CE2-CB 4.25Å; G644-R646 VanDerWaalsContact C-N 3.32Å; G644-R646 PolarHBondContact O-N 2.82Å
647	D	62	Low	77	Confident	17 Å²	17	30.4 Å²	30.4	9%	0.091	18%	0.178	C	C	.	.			trans	-156.3	167.3	176.3	-155.2	-2.1	0	0	0	109.6	G686	D647-G686 WeakPolarHBondContact OD1-CA 3.23Å; D647-G686 PolarHBondContact OD1-N 3.26Å; D647-G686 VanDerWaalsContact OD1-N 3.15Å; D647-G686 PolarHBondContact OD2-N 3.12Å
648	T	62	Low	77	Confident	6 Å²	6	30.4 Å²	30.4	4%	0.037	18%	0.178	C	C	.	.			trans	-76.5	133.5	168.2	43.9	0	0	0	0	109.9	V586 L611 D652 V671 C679 Y688	V586-T648 HydrophobicContact CB-CG2 3.91Å; V586-T648 HydrophobicContact CG1-CG2 3.62Å; V586-T648 HydrophobicContact CG2-CG2 4.07Å; L611-T648 HydrophobicContact CD1-CG2 4.21Å; T648-D652 HydrophobicContact CG2-CB 4.46Å; T648-V671 HydrophobicContact CG2-CG2 3.97Å; T648-C679 PolarHBondContact O-SG 3.17Å; T648-Y688 WeakPolarHBondContact CG2-OH 3.25Å; T648-Y688 PolarHBondContact OG1-OH 3.24Å
649	C	64.4	Low	76.9	Confident	32 Å²	32	31.1 Å²	31.1	22%	0.216	18%	0.181	C	C	.	.			trans	-117.4	178.2	-173.5	-46.7	0	0	0	0	111.7	I591 G651 D652 C679	I591-C649 WeakPolarHBondContact O-CB 3.46Å; C649-G651 PolarHBondContact O-N 3.48Å; C649-D652 PolarHBondContact N-OD2 2.9Å; C649-D652 VanDerWaalsContact N-OD2 3.11Å; C649-D652 WeakPolarHBondContact O-CB 3.39Å; C649-D652 PolarHBondContact O-N 3.02Å; C649-C679 VanDerWaalsContact CA-SG 3.51Å; C649-C679 HydrophobicContact CB-CB 3.83Å; C649-C679 WeakPolarHBondContact CB-SG 3.44Å; C649-C679 WeakPolarHBondContact SG-CB 3.34Å; C649-C679 CovalentContact SG-SG 2.03Å; C649-C679 PolarHBondContact SG-SG 2.71Å
650	L	55.6	Low	76.8	Confident	129 Å²	129	36.6 Å²	36.6	68%	0.675	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.5	125.6	173.2	-70.3	171.3	0	0	0	110.7	G590 I591	G590-L650 CarbonylContact C-O 3.58Å; G590-L650 WeakPolarHBondContact CA-O 3.09Å; I591-L650 HydrophobicContact CD1-CB 3.51Å; I591-L650 HydrophobicContact CD1-CD1 3.96Å; I591-L650 HydrophobicContact CD1-CG 4.39Å; I591-L650 HydrophobicContact CG1-CB 4.21Å; I591-L650 WeakPolarHBondContact CG1-O 3.42Å; I591-L650 PolarHBondContact N-O 3.07Å
651	G	57.8	Low	76.5	Confident	23 Å²	23	38.2 Å²	38.2	24%	0.237	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.3	-12.1	-175.7	0	0	0	0	0	115	C649	C649-G651 PolarHBondContact O-N 3.48Å
652	D	67.9	Low	76.4	Confident	18 Å²	18	38.8 Å²	38.8	10%	0.096	24%	0.241	C	C	.	.			trans	-92.6	-3.1	170.1	-57.8	-32.9	0	0	0	112.6	G588 W589 G590 T648 C649 G654 G655 V671	G588-D652 VanDerWaalsContact CA-OD1 3.25Å; G588-D652 WeakPolarHBondContact CA-OD1 3.3Å; W589-D652 PolarHBondContact N-OD1 2.93Å; G590-D652 WeakPolarHBondContact CA-OD1 3.18Å; G590-D652 PolarHBondContact N-OD1 2.84Å; T648-D652 HydrophobicContact CG2-CB 4.46Å; C649-D652 PolarHBondContact N-OD2 2.9Å; C649-D652 VanDerWaalsContact N-OD2 3.11Å; C649-D652 WeakPolarHBondContact O-CB 3.39Å; C649-D652 PolarHBondContact O-N 3.02Å; D652-G654 PolarHBondContact O-N 2.9Å; D652-G655 WeakPolarHBondContact O-CA 3.15Å; D652-G655 PolarHBondContact O-N 2.97Å; D652-V671 HydrophobicContact CB-CG1 4.48Å; D652-V671 HydrophobicContact CB-CG2 4.45Å; D652-V671 WeakPolarHBondContact O-CB 3.19Å
653	S	82.8	Confident	76.3	Confident	25 Å²	25	45 Å²	45	18%	0.175	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	126.5	-179.9	-75.3	0	0	0	0	112.8	S475 H489 G655	S475-S653 PolarHBondContact N-O 3.2Å; H489-S653 VanDerWaalsContact NE2-CB 3.26Å; H489-S653 WeakPolarHBondContact NE2-CB 3.49Å; H489-S653 PolarHBondContact NE2-OG 3.02Å; H489-S653 VanDerWaalsContact NE2-OG 3.15Å; S653-G655 PolarHBondContact O-N 3.06Å
654	G	85.8	Confident	76.9	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-4	-175.4	0	0	0	0	0	115.2	S475 D652 V671	S475-G654 CarbonylContact O-C 3.56Å; S475-G654 WeakPolarHBondContact O-CA 3.47Å; S475-G654 VanDerWaalsContact O-O 3.1Å; D652-G654 PolarHBondContact O-N 2.9Å; G654-V671 PolarHBondContact N-O 2.91Å
655	G	88.8	Confident	77.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.			trans	-65.1	150.6	175	0	0	0	0	0	112.4	S475 D652 S653 L670 V671	S475-G655 VanDerWaalsContact CB-CA 3.46Å; D652-G655 WeakPolarHBondContact O-CA 3.15Å; D652-G655 PolarHBondContact O-N 2.97Å; S653-G655 PolarHBondContact O-N 3.06Å; G655-L670 WeakPolarHBondContact O-CA 3.37Å; G655-V671 PolarHBondContact O-N 3.27Å
656	A	93.8	Very high	79.1	Confident	3 Å²	3	40.3 Å²	40.3	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.1	-174.2	0	0	0	0	0	112.8	A477 V658 V667	A477-A656 HydrophobicContact CB-CB 3.75Å; A656-V658 HydrophobicContact CB-CG1 3.89Å; A656-V667 HydrophobicContact CB-CB 4.3Å; A656-V667 HydrophobicContact CB-CG2 3.57Å
657	F	93.4	Very high	80.3	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	105.7	161.3	-173.1	-83	0	0	0	108.7	L578 L585 V586 L611 V613 F637 A639 M659 F668 G669 Y688	L578-F657 HydrophobicContact CD2-CE1 4.49Å; L585-F657 WeakPolarHBondContact O-CA 3.26Å; V586-F657 HydrophobicContact CG2-CB 4.1Å; V586-F657 HydrophobicContact CG2-CD2 3.5Å; V586-F657 VanDerWaalsContact CG2-CD2 3.5Å; V586-F657 HydrophobicContact CG2-CE2 4.36Å; V586-F657 HydrophobicContact CG2-CG 4.19Å; L611-F657 HydrophobicContact CB-CE2 4.25Å; V613-F657 HydrophobicContact CG2-CE1 4.09Å; V613-F657 HydrophobicContact CG2-CZ 3.87Å; F637-F657 HydrophobicContact CE2-CD1 4.15Å; F637-F657 HydrophobicContact CE2-CD2 4.5Å; F637-F657 HydrophobicContact CE2-CE1 4.13Å; F637-F657 HydrophobicContact CE2-CG 4.33Å; F637-F657 HydrophobicContact CE2-CZ 4.31Å; F637-F657 HydrophobicContact CZ-CB 4.32Å; F637-F657 AromaticContact CZ-CD1 3.87Å; F637-F657 HydrophobicContact CZ-CD1 3.87Å; F637-F657 HydrophobicContact CZ-CE1 4.27Å; F637-F657 HydrophobicContact CZ-CG 4.03Å; A639-F657 HydrophobicContact CB-CD2 4.25Å; A639-F657 HydrophobicContact CB-CE2 3.54Å; A639-F657 HydrophobicContact CB-CZ 4.15Å; F657-M659 HydrophobicContact CD1-CG 4.17Å; F657-M659 HydrophobicContact CE1-CG 3.72Å; F657-M659 HydrophobicContact CE1-SD 3.89Å; F657-F668 HydrophobicContact CD1-CB 4.48Å; F657-F668 PolarHBondContact O-N 2.88Å; F657-G669 PolarHBondContact N-O 2.68Å; F657-G669 PolarHBondContact O-N 3.07Å; F657-Y688 HydrophobicContact CB-CD1 3.76Å; F657-Y688 HydrophobicContact CB-CE1 3.85Å; F657-Y688 HydrophobicContact CD2-CD1 4.25Å; F657-Y688 AromaticContact CD2-CE1 3.81Å; F657-Y688 HydrophobicContact CD2-CE1 3.81Å; F657-Y688 HydrophobicContact CG-CD1 4.35Å; F657-Y688 HydrophobicContact CG-CE1 4.27Å
658	V	92.6	Very high	81.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.2	-175.2	-60.7	0	0	0	0	112	F453 W455 V564 G584 L585 A656 W665 A666 V667	F453-V658 HydrophobicContact CE1-CG2 4.25Å; W455-V658 HydrophobicContact CZ2-CG2 4.35Å; V564-V658 HydrophobicContact CG2-CG1 4.05Å; G584-V658 VanDerWaalsContact CA-O 3.32Å; G584-V658 WeakPolarHBondContact CA-O 3.49Å; L585-V658 HydrophobicContact CB-CG2 4Å; L585-V658 PolarHBondContact N-O 3.26Å; L585-V658 WeakPolarHBondContact O-CG2 3.41Å; L585-V658 PolarHBondContact O-N 3.23Å; A656-V658 HydrophobicContact CB-CG1 3.89Å; V658-W665 HydrophobicContact CB-CE3 4.17Å; V658-W665 HydrophobicContact CG2-CE3 3.85Å; V658-W665 HydrophobicContact CG2-CZ3 4.23Å; V658-A666 VanDerWaalsContact CA-O 3.24Å; V658-A666 WeakPolarHBondContact CA-O 3.45Å; V658-V667 HydrophobicContact CG1-CB 4.41Å
659	M	89.8	Confident	83.3	Confident	14 Å²	14	38 Å²	38	7%	0.069	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.9	172	-53.7	-167	-56.8	0	0	110.2	L578 F657 A661 A666 F668	L578-M659 HydrophobicContact CD2-CE 3.63Å; L578-M659 HydrophobicContact CD2-SD 4.1Å; L578-M659 HydrophobicContact CG-CE 4.14Å; F657-M659 HydrophobicContact CD1-CG 4.17Å; F657-M659 HydrophobicContact CE1-CG 3.72Å; F657-M659 HydrophobicContact CE1-SD 3.89Å; M659-A661 PolarHBondContact O-N 2.69Å; M659-A666 PolarHBondContact N-O 3.46Å; M659-A666 PolarHBondContact O-N 2.84Å; M659-F668 HydrophobicContact CB-CD2 3.66Å; M659-F668 HydrophobicContact CB-CE2 3.75Å; M659-F668 HydrophobicContact CE-CB 4.2Å; M659-F668 HydrophobicContact CE-CD1 3.8Å; M659-F668 HydrophobicContact CE-CD2 3.55Å; M659-F668 HydrophobicContact CE-CE1 4.01Å; M659-F668 HydrophobicContact CE-CE2 3.75Å; M659-F668 HydrophobicContact CE-CG 3.56Å; M659-F668 HydrophobicContact CE-CZ 3.98Å; M659-F668 HydrophobicContact CG-CD2 3.91Å; M659-F668 HydrophobicContact CG-CE2 4.44Å; M659-F668 HydrophobicContact CG-CG 4.5Å
660	Q	86.4	Confident	84.7	Confident	116 Å²	116	36.5 Å²	36.5	54%	0.542	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.7	174.8	-170.9	175.3	-2.1	0	0	110.1	G662 R664 W665	Q660-G662 WeakPolarHBondContact CG-O 3.33Å; Q660-G662 PolarHBondContact NE2-O 3.47Å; Q660-G662 VanDerWaalsContact NE2-O 3.13Å; Q660-R664 CarbonylContact C-O 3.56Å; Q660-R664 WeakPolarHBondContact CA-O 3.36Å; Q660-W665 HydrophobicContact CB-CH2 4.47Å; Q660-W665 HydrophobicContact CB-CZ2 4.44Å
661	A	81.3	Confident	86.5	Confident	38 Å²	38	30.8 Å²	30.8	31%	0.314	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	101.3	172.8	0	0	0	0	0	108.8	M659 R663 R664 A666 F668	M659-A661 PolarHBondContact O-N 2.69Å; A661-R663 PolarHBondContact O-N 3.44Å; A661-R664 CarbonylContact C-O 3.54Å; A661-R664 PolarHBondContact N-O 2.62Å; A661-R664 PolarHBondContact O-N 3.14Å; A661-A666 HydrophobicContact CB-CB 4.28Å; A661-F668 HydrophobicContact CB-CE2 4.43Å; A661-F668 HydrophobicContact CB-CZ 4.29Å
662	G	79.9	Confident	88.1	Confident	66 Å²	66	29.8 Å²	29.8	68%	0.68	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	-121.4	-171.3	0	0	0	0	0	112.1	Q660	Q660-G662 WeakPolarHBondContact CG-O 3.33Å; Q660-G662 PolarHBondContact NE2-O 3.47Å; Q660-G662 VanDerWaalsContact NE2-O 3.13Å
663	R	80.3	Confident	88.9	Confident	221 Å²	221	30.1 Å²	30.1	83%	0.834	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-1	177.5	-68.5	-172.1	176.9	-173.5	-0.1	114	A661	A661-R663 PolarHBondContact O-N 3.44Å
664	R	85.8	Confident	88.7	Confident	71 Å²	71	31.2 Å²	31.2	27%	0.268	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.6	-172.7	-62.8	-178.8	179.8	-143.8	-1.6	111.2	C428 L430 Q660 A661	C428-R664 WeakPolarHBondContact O-CD 3.32Å; L430-R664 HydrophobicContact CD2-CG 4.24Å; Q660-R664 CarbonylContact C-O 3.56Å; Q660-R664 WeakPolarHBondContact CA-O 3.36Å; A661-R664 CarbonylContact C-O 3.54Å; A661-R664 PolarHBondContact N-O 2.62Å; A661-R664 PolarHBondContact O-N 3.14Å
665	W	89.4	Confident	87.9	Confident	37 Å²	37	31.7 Å²	31.7	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.8	171	-70.2	85.4	0	0	0	110.2	G429 L435 W455 V564 C565 L585 V658 Q660	G429-W665 WeakPolarHBondContact CA-O 3.48Å; G429-W665 PolarHBondContact O-N 3.14Å; L435-W665 HydrophobicContact CB-CZ2 4.12Å; L435-W665 HydrophobicContact CD1-CD2 4.09Å; L435-W665 HydrophobicContact CD1-CE3 4.39Å; L435-W665 HydrophobicContact CD1-CH2 3.7Å; L435-W665 HydrophobicContact CD1-CZ2 3.33Å; L435-W665 HydrophobicContact CD1-CZ3 4.22Å; L435-W665 HydrophobicContact CG-CZ2 4.34Å; W455-W665 HydrophobicContact CH2-CB 3.41Å; W455-W665 VanDerWaalsContact CH2-CB 3.41Å; W455-W665 AromaticContact CH2-CG 3.69Å; W455-W665 HydrophobicContact CH2-CG 3.69Å; W455-W665 HydrophobicContact CZ2-CB 3.89Å; W455-W665 HydrophobicContact CZ2-CG 4.23Å; W455-W665 HydrophobicContact CZ3-CB 4.1Å; V564-W665 WeakPolarHBondContact CG2-O 3.31Å; C565-W665 WeakPolarHBondContact CB-O 3.35Å; C565-W665 PolarHBondContact N-O 3Å; C565-W665 VanDerWaalsContact N-O 3.12Å; L585-W665 HydrophobicContact CD1-CH2 3.57Å; L585-W665 HydrophobicContact CD1-CZ2 4.49Å; L585-W665 HydrophobicContact CD1-CZ3 3.71Å; L585-W665 HydrophobicContact CG-CH2 4.4Å; L585-W665 HydrophobicContact CG-CZ3 4.24Å; V658-W665 HydrophobicContact CB-CE3 4.17Å; V658-W665 HydrophobicContact CG2-CE3 3.85Å; V658-W665 HydrophobicContact CG2-CZ3 4.23Å; Q660-W665 HydrophobicContact CB-CH2 4.47Å; Q660-W665 HydrophobicContact CB-CZ2 4.44Å
666	A	92	Very high	86.7	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150	179.5	0	0	0	0	0	111.6	C565 V658 M659 A661 F668	C565-A666 HydrophobicContact CB-CB 4.18Å; C565-A666 CarbonylContact O-C 3.57Å; C565-A666 WeakPolarHBondContact O-CA 3.44Å; V658-A666 VanDerWaalsContact CA-O 3.24Å; V658-A666 WeakPolarHBondContact CA-O 3.45Å; M659-A666 PolarHBondContact N-O 3.46Å; M659-A666 PolarHBondContact O-N 2.84Å; A661-A666 HydrophobicContact CB-CB 4.28Å; A666-F668 HydrophobicContact CB-CD2 4.36Å; A666-F668 HydrophobicContact CB-CE2 3.8Å; A666-F668 HydrophobicContact CB-CZ 4.38Å; A666-F668 WeakPolarHBondContact O-CD2 3.05Å
667	V	94	Very high	85.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	105.7	179.4	56.8	0	0	0	0	111.3	L479 L485 V564 C565 L566 P567 A656 V658 G669 L670 V691	L479-V667 HydrophobicContact CD2-CG1 4.37Å; L485-V667 HydrophobicContact CD2-CG1 3.93Å; L485-V667 HydrophobicContact CD2-CG2 4.27Å; V564-V667 HydrophobicContact CG1-CB 4.04Å; V564-V667 HydrophobicContact CG1-CG1 3.81Å; V564-V667 HydrophobicContact CG2-CB 4.36Å; C565-V667 PolarHBondContact O-N 3.38Å; L566-V667 HydrophobicContact CD2-CG1 4.12Å; P567-V667 WeakPolarHBondContact CD-O 3.37Å; P567-V667 WeakPolarHBondContact CG-O 3.4Å; A656-V667 HydrophobicContact CB-CB 4.3Å; A656-V667 HydrophobicContact CB-CG2 3.57Å; V658-V667 HydrophobicContact CG1-CB 4.41Å; V667-G669 WeakPolarHBondContact CG2-O 3.15Å; V667-L670 HydrophobicContact CG2-CD2 4.24Å; V667-V691 HydrophobicContact CG2-CG2 4.29Å
668	F	93.1	Very high	84.2	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-22.4	-179.2	-74.5	-90.6	0	0	0	113.4	P567 L578 F657 M659 A661 A666 V691 E692	P567-F668 HydrophobicContact CB-CD1 3.63Å; P567-F668 HydrophobicContact CB-CE1 3.39Å; P567-F668 HydrophobicContact CB-CE2 4.39Å; P567-F668 HydrophobicContact CB-CG 4.22Å; P567-F668 HydrophobicContact CB-CZ 3.83Å; P567-F668 HydrophobicContact CG-CD1 4.45Å; L578-F668 HydrophobicContact CD1-CB 4.19Å; L578-F668 HydrophobicContact CD1-CD1 4.26Å; L578-F668 HydrophobicContact CD2-CB 3.85Å; L578-F668 HydrophobicContact CD2-CD1 4.36Å; L578-F668 HydrophobicContact CD2-CG 4.31Å; L578-F668 HydrophobicContact CG-CB 4.15Å; L578-F668 HydrophobicContact CG-CD1 3.92Å; L578-F668 HydrophobicContact CG-CG 4.35Å; F657-F668 HydrophobicContact CD1-CB 4.48Å; F657-F668 PolarHBondContact O-N 2.88Å; M659-F668 HydrophobicContact CB-CD2 3.66Å; M659-F668 HydrophobicContact CB-CE2 3.75Å; M659-F668 HydrophobicContact CE-CB 4.2Å; M659-F668 HydrophobicContact CE-CD1 3.8Å; M659-F668 HydrophobicContact CE-CD2 3.55Å; M659-F668 HydrophobicContact CE-CE1 4.01Å; M659-F668 HydrophobicContact CE-CE2 3.75Å; M659-F668 HydrophobicContact CE-CG 3.56Å; M659-F668 HydrophobicContact CE-CZ 3.98Å; M659-F668 HydrophobicContact CG-CD2 3.91Å; M659-F668 HydrophobicContact CG-CE2 4.44Å; M659-F668 HydrophobicContact CG-CG 4.5Å; A661-F668 HydrophobicContact CB-CE2 4.43Å; A661-F668 HydrophobicContact CB-CZ 4.29Å; A666-F668 HydrophobicContact CB-CD2 4.36Å; A666-F668 HydrophobicContact CB-CE2 3.8Å; A666-F668 HydrophobicContact CB-CZ 4.38Å; A666-F668 WeakPolarHBondContact O-CD2 3.05Å; F668-V691 PolarHBondContact O-N 2.79Å; F668-E692 HydrophobicContact CD1-CG 4.11Å; F668-E692 WeakPolarHBondContact CD1-OE1 3.47Å; F668-E692 HydrophobicContact CE1-CG 4.46Å; F668-E692 VanDerWaalsContact CE1-OE1 3.22Å; F668-E692 WeakPolarHBondContact CE1-OE1 3.48Å
669	G	93.8	Very high	83	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.3	-179.8	0	0	0	0	0	114.3	F657 V667 T689	F657-G669 PolarHBondContact N-O 2.68Å; F657-G669 PolarHBondContact O-N 3.07Å; V667-G669 WeakPolarHBondContact CG2-O 3.15Å; G669-T689 WeakPolarHBondContact CA-O 3.28Å
670	L	95.2	Very high	81.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.3	169.9	-60.3	167.2	0	0	0	108.9	L485 T486 I546 G655 V667 S672 Y688 T689 V691	L485-L670 HydrophobicContact CD1-CD1 4.16Å; L485-L670 HydrophobicContact CD2-CD1 4.13Å; L485-L670 HydrophobicContact CD2-CD2 4Å; L485-L670 HydrophobicContact CD2-CG 4.39Å; L485-L670 HydrophobicContact CG-CD1 3.84Å; L485-L670 HydrophobicContact CG-CD2 3.96Å; L485-L670 HydrophobicContact CG-CG 4.43Å; T486-L670 WeakPolarHBondContact O-CD1 3.1Å; I546-L670 HydrophobicContact CB-CD1 4.33Å; I546-L670 HydrophobicContact CD1-CD1 4.01Å; I546-L670 HydrophobicContact CG1-CD1 3.65Å; G655-L670 WeakPolarHBondContact O-CA 3.37Å; V667-L670 HydrophobicContact CG2-CD2 4.24Å; L670-S672 PolarHBondContact O-N 2.9Å; L670-S672 VanDerWaalsContact O-N 3.13Å; L670-Y688 CarbonylContact O-C 3.53Å; L670-Y688 WeakPolarHBondContact O-CA 3.13Å; L670-T689 PolarHBondContact N-O 3.03Å; L670-T689 PolarHBondContact O-N 2.96Å; L670-V691 HydrophobicContact CD1-CG2 4.16Å; L670-V691 HydrophobicContact CG-CG2 3.86Å
671	V	92.9	Very high	81.4	Confident	8 Å²	8	44.2 Å²	44.2	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	116.2	177.8	179.4	0	0	0	0	109.1	V586 T648 D652 G654 G655 Y688	V586-V671 HydrophobicContact CG1-CG2 3.88Å; T648-V671 HydrophobicContact CG2-CG2 3.97Å; D652-V671 HydrophobicContact CB-CG1 4.48Å; D652-V671 HydrophobicContact CB-CG2 4.45Å; D652-V671 WeakPolarHBondContact O-CB 3.19Å; G654-V671 PolarHBondContact N-O 2.91Å; G655-V671 PolarHBondContact O-N 3.27Å; V671-Y688 HydrophobicContact CB-CE1 4.33Å; V671-Y688 HydrophobicContact CG2-CD1 4.04Å; V671-Y688 HydrophobicContact CG2-CE1 3.47Å; V671-Y688 VanDerWaalsContact CG2-CE1 3.47Å
672	S	90.8	Very high	81.3	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-64.8	-174.7	-176.7	0	0	0	0	111.3	H489 D545 L670 V687	H489-S672 PolarHBondContact CE1-O 2.96Å; H489-S672 PolarHBondContact ND1-O 2.75Å; D545-S672 WeakPolarHBondContact CB-OG 3.33Å; D545-S672 WeakPolarHBondContact OD2-CA 3.27Å; D545-S672 VanDerWaalsContact OD2-CB 3.29Å; D545-S672 WeakPolarHBondContact OD2-CB 3.33Å; D545-S672 PolarHBondContact OD2-OG 3.43Å; L670-S672 PolarHBondContact O-N 2.9Å; L670-S672 VanDerWaalsContact O-N 3.13Å; S672-V687 WeakPolarHBondContact CB-O 3.27Å; S672-V687 PolarHBondContact N-O 3.41Å
673	W	85.6	Confident	81.1	Confident	25 Å²	25	51.1 Å²	51.1	10%	0.095	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	170.8	-179.9	59.2	-86.5	0	0	0	111.9	Y542 Y623 Y630 I632 M636 V687	Y542-W673 HydrophobicContact CD1-CB 4.32Å; Y542-W673 AromaticContact CG-CD1 3.82Å; Y542-W673 HydrophobicContact CG-CG 4.34Å; Y623-W673 HydrophobicContact CD1-CH2 4.01Å; Y623-W673 AromaticContact CD1-CZ3 3.81Å; Y623-W673 HydrophobicContact CD1-CZ3 3.81Å; Y623-W673 HydrophobicContact CD2-CH2 4.33Å; Y623-W673 HydrophobicContact CE1-CH2 4.14Å; Y623-W673 AromaticContact CE1-CZ3 3.57Å; Y623-W673 HydrophobicContact CE1-CZ3 3.57Å; Y623-W673 HydrophobicContact CE2-CH2 4.42Å; Y623-W673 HydrophobicContact CE2-CZ3 4.42Å; Y623-W673 HydrophobicContact CG-CH2 4.11Å; Y623-W673 HydrophobicContact CG-CZ3 4.36Å; Y623-W673 AromaticContact CZ-CZ3 3.88Å; Y630-W673 HydrophobicContact CD1-CE3 4.37Å; Y630-W673 HydrophobicContact CD1-CH2 4.48Å; Y630-W673 HydrophobicContact CD1-CZ3 4.31Å; Y630-W673 HydrophobicContact CG-CH2 4.31Å; Y630-W673 HydrophobicContact CG-CZ3 4.15Å; I632-W673 HydrophobicContact CD1-CH2 3.69Å; I632-W673 HydrophobicContact CD1-CZ2 3.62Å; M636-W673 HydrophobicContact SD-CZ2 4.28Å; W673-V687 HydrophobicContact CD2-CB 4.01Å; W673-V687 HydrophobicContact CD2-CG1 4.46Å; W673-V687 HydrophobicContact CD2-CG2 4.03Å; W673-V687 HydrophobicContact CE3-CG2 4.1Å; W673-V687 HydrophobicContact CG-CB 4.31Å; W673-V687 HydrophobicContact CH2-CG2 3.85Å; W673-V687 HydrophobicContact CZ2-CB 4.16Å; W673-V687 HydrophobicContact CZ2-CG1 3.96Å; W673-V687 HydrophobicContact CZ2-CG2 3.82Å; W673-V687 HydrophobicContact CZ3-CG2 4.01Å; W673-V687 PolarHBondContact N-O 2.85Å; W673-V687 WeakPolarHBondContact O-CA 3.36Å; W673-V687 WeakPolarHBondContact O-CB 3.16Å; W673-V687 PolarHBondContact O-N 2.83Å
674	A	78.4	Confident	81.2	Confident	47 Å²	47	40.8 Å²	40.8	39%	0.388	22%	0.218	S	C	.	.			trans	-142.3	169	174.1	0	0	0	0	0	110.1
675	G	69.6	Low	81.3	Confident	11 Å²	11	37.5 Å²	37.5	11%	0.113	21%	0.205	C	C	.	.			trans	-60	161.5	177.1	0	0	0	0	0	113.8	Y623 E677	Y623-G675 PolarHBondContact OH-N 3.05Å; G675-E677 PolarHBondContact O-N 3.23Å
676	P	62.9	Low	81.2	Confident	119 Å²	119	35.7 Å²	35.7	77%	0.773	20%	0.199	S	C	*	.	S	Bend	trans	-70.7	-10.2	-179.2	30.6	-36.7	0	0	0	114.1
677	E	69.7	Low	81.2	Confident	70 Å²	70	35.6 Å²	35.6	33%	0.327	20%	0.198	S	C	.	.	S	Bend	trans	-78.3	165.9	176.1	-54.2	87	166.2	0	0	112.6	R626 G675 C679 V684	R626-E677 IonicContact CZ-OE1 2.79Å; R626-E677 IonicContact NH1-OE1 3.47Å; R626-E677 PolarHBondContact NH1-OE1 2.87Å; R626-E677 IonicContact NH1-OE2 3.84Å; G675-E677 PolarHBondContact O-N 3.23Å; E677-C679 PolarHBondContact O-N 3.25Å; E677-V684 HydrophobicContact CB-CG2 4.25Å
678	D	65.5	Low	81.2	Confident	117 Å²	117	35.6 Å²	35.6	63%	0.626	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-55	140.5	179.7	-73.4	-42	0	0	0	112	G680 S681	D678-G680 PolarHBondContact O-N 3.34Å; D678-S681 PolarHBondContact N-OG 3.11Å; D678-S681 VanDerWaalsContact O-CB 3.23Å; D678-S681 WeakPolarHBondContact O-CB 3.38Å; D678-S681 PolarHBondContact O-N 2.91Å; D678-S681 PolarHBondContact O-OG 3Å
679	C	66.8	Low	81.3	Confident	45 Å²	45	35.6 Å²	35.6	30%	0.304	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	125.5	177.8	-171.1	0	0	0	0	111	T648 C649 E677	T648-C679 PolarHBondContact O-SG 3.17Å; C649-C679 VanDerWaalsContact CA-SG 3.51Å; C649-C679 HydrophobicContact CB-CB 3.83Å; C649-C679 WeakPolarHBondContact CB-SG 3.44Å; C649-C679 WeakPolarHBondContact SG-CB 3.34Å; C649-C679 CovalentContact SG-SG 2.03Å; C649-C679 PolarHBondContact SG-SG 2.71Å; E677-C679 PolarHBondContact O-N 3.25Å
680	G	66.6	Low	81.3	Confident	15 Å²	15	37.1 Å²	37.1	16%	0.155	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	21.8	-172.9	0	0	0	0	0	114.3	G644 G645 D678	G644-G680 CarbonylContact C-O 3.57Å; G644-G680 WeakPolarHBondContact CA-O 3.44Å; G645-G680 PolarHBondContact N-O 2.03Å; D678-G680 PolarHBondContact O-N 3.34Å
681	S	75.4	Confident	81.2	Confident	31 Å²	31	37.1 Å²	37.1	22%	0.217	20%	0.204	C	C	.	.			trans	-65.5	151.5	167.7	-72.2	0	0	0	0	111.9	D678 R683 V684	D678-S681 PolarHBondContact N-OG 3.11Å; D678-S681 VanDerWaalsContact O-CB 3.23Å; D678-S681 WeakPolarHBondContact O-CB 3.38Å; D678-S681 PolarHBondContact O-N 2.91Å; D678-S681 PolarHBondContact O-OG 3Å; S681-R683 PolarHBondContact O-N 3.42Å; S681-V684 PolarHBondContact O-N 3.15Å; S681-V684 VanDerWaalsContact O-N 3.09Å
682	Q	79.3	Confident	81.1	Confident	121 Å²	121	37.8 Å²	37.8	57%	0.565	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	132.2	178	-173.9	177.8	0.9	0	0	110.6	R626 F642 V684	R626-Q682 PolarHBondContact NH2-O 3.46Å; F642-Q682 WeakPolarHBondContact O-CG 3.27Å; Q682-V684 PolarHBondContact O-N 2.81Å
683	R	76.8	Confident	81.1	Confident	127 Å²	127	43.6 Å²	43.6	48%	0.479	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	20.2	-175.9	-67.5	176	140	-167	-6	114.5	S622 R626 F642 S681	S622-R683 PolarHBondContact OG-O 2.84Å; R626-R683 PolarHBondContact NH2-O 2.96Å; F642-R683 HydrophobicContact CD2-CG 4.08Å; F642-R683 HydrophobicContact CE1-CG 4.35Å; F642-R683 HydrophobicContact CE2-CG 3.79Å; F642-R683 HydrophobicContact CZ-CG 3.92Å; F642-R683 PolarHBondContact O-N 2.77Å; S681-R683 PolarHBondContact O-N 3.42Å
684	V	82.6	Confident	81.4	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.024	23%	0.228	C	C	.	.			trans	-102.9	116.9	169.1	-177.3	0	0	0	0	106.6	E677 S681 Q682	E677-V684 HydrophobicContact CB-CG2 4.25Å; S681-V684 PolarHBondContact O-N 3.15Å; S681-V684 VanDerWaalsContact O-N 3.09Å; Q682-V684 PolarHBondContact O-N 2.81Å
685	Y	86.7	Confident	82	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.008	21%	0.212	C	C	.	.			trans	-112	133.2	-175.6	-55.5	-54.5	0	0	0	109.8	V614 E618 C619 Y623 F642 V687	V614-Y685 HydrophobicContact CG1-CD2 3.92Å; V614-Y685 HydrophobicContact CG1-CE1 4.49Å; V614-Y685 HydrophobicContact CG1-CE2 3.71Å; V614-Y685 HydrophobicContact CG1-CG 4.4Å; V614-Y685 HydrophobicContact CG2-CD1 3.75Å; V614-Y685 HydrophobicContact CG2-CD2 4.3Å; V614-Y685 HydrophobicContact CG2-CE1 3.96Å; V614-Y685 HydrophobicContact CG2-CE2 4.48Å; V614-Y685 HydrophobicContact CG2-CG 3.94Å; E618-Y685 HydrophobicContact CG-CE2 4.28Å; E618-Y685 PolarHBondContact OE1-OH 3.25Å; C619-Y685 HydrophobicContact CB-CD2 4.5Å; Y623-Y685 PolarHBondContact OH-O 2.93Å; F642-Y685 WeakPolarHBondContact CA-OH 3.29Å; F642-Y685 WeakPolarHBondContact CD2-OH 3.23Å; Y685-V687 PolarHBondContact O-N 3.29Å
686	G	88.1	Confident	82.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	132.1	167.7	0	0	0	0	0	111	C638 A639 D647 Y688	C638-G686 VanDerWaalsContact CA-O 3.26Å; C638-G686 WeakPolarHBondContact CA-O 3.46Å; A639-G686 PolarHBondContact N-O 2.92Å; A639-G686 PolarHBondContact O-N 3.04Å; D647-G686 WeakPolarHBondContact OD1-CA 3.23Å; D647-G686 PolarHBondContact OD1-N 3.26Å; D647-G686 VanDerWaalsContact OD1-N 3.15Å; D647-G686 PolarHBondContact OD2-N 3.12Å; G686-Y688 VanDerWaalsContact O-CD2 3.26Å; G686-Y688 WeakPolarHBondContact O-CD2 3.1Å; G686-Y688 VanDerWaalsContact O-CE2 3.23Å; G686-Y688 WeakPolarHBondContact O-CE2 3.49Å
687	V	90.9	Very high	84.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.6	178.6	-173.9	0	0	0	0	108.9	Y623 I632 M636 S672 W673 Y685	Y623-V687 HydrophobicContact CD2-CG2 4.42Å; Y623-V687 HydrophobicContact CE2-CG2 3.63Å; I632-V687 HydrophobicContact CD1-CB 4.5Å; I632-V687 HydrophobicContact CD1-CG1 3.91Å; I632-V687 HydrophobicContact CD1-CG2 3.7Å; M636-V687 HydrophobicContact CB-CG1 3.91Å; M636-V687 HydrophobicContact CG-CG1 4.13Å; M636-V687 HydrophobicContact SD-CG1 3.76Å; S672-V687 WeakPolarHBondContact CB-O 3.27Å; S672-V687 PolarHBondContact N-O 3.41Å; W673-V687 HydrophobicContact CD2-CB 4.01Å; W673-V687 HydrophobicContact CD2-CG1 4.46Å; W673-V687 HydrophobicContact CD2-CG2 4.03Å; W673-V687 HydrophobicContact CE3-CG2 4.1Å; W673-V687 HydrophobicContact CG-CB 4.31Å; W673-V687 HydrophobicContact CH2-CG2 3.85Å; W673-V687 HydrophobicContact CZ2-CB 4.16Å; W673-V687 HydrophobicContact CZ2-CG1 3.96Å; W673-V687 HydrophobicContact CZ2-CG2 3.82Å; W673-V687 HydrophobicContact CZ3-CG2 4.01Å; W673-V687 PolarHBondContact N-O 2.85Å; W673-V687 WeakPolarHBondContact O-CA 3.36Å; W673-V687 WeakPolarHBondContact O-CB 3.16Å; W673-V687 PolarHBondContact O-N 2.83Å; Y685-V687 PolarHBondContact O-N 3.29Å
688	Y	93.8	Very high	85.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.6	-173.8	-62.9	-104	0	0	0	110.6	V586 L611 M636 F637 A639 T648 F657 L670 V671 G686 R690	V586-Y688 HydrophobicContact CG2-CE1 3.84Å; L611-Y688 WeakPolarHBondContact CD1-OH 3.44Å; M636-Y688 CarbonylContact C-O 3.58Å; M636-Y688 VanDerWaalsContact CA-O 3.25Å; M636-Y688 WeakPolarHBondContact CA-O 3.46Å; F637-Y688 HydrophobicContact CE1-CG 4.42Å; F637-Y688 HydrophobicContact CE2-CD2 4.25Å; F637-Y688 HydrophobicContact CE2-CG 4.17Å; F637-Y688 HydrophobicContact CZ-CD1 4.49Å; F637-Y688 AromaticContact CZ-CG 3.97Å; F637-Y688 HydrophobicContact CZ-CG 3.97Å; F637-Y688 PolarHBondContact N-O 3.36Å; F637-Y688 PolarHBondContact O-N 3Å; A639-Y688 HydrophobicContact CB-CD2 4.18Å; A639-Y688 HydrophobicContact CB-CE2 3.69Å; T648-Y688 WeakPolarHBondContact CG2-OH 3.25Å; T648-Y688 PolarHBondContact OG1-OH 3.24Å; F657-Y688 HydrophobicContact CB-CD1 3.76Å; F657-Y688 HydrophobicContact CB-CE1 3.85Å; F657-Y688 HydrophobicContact CD2-CD1 4.25Å; F657-Y688 AromaticContact CD2-CE1 3.81Å; F657-Y688 HydrophobicContact CD2-CE1 3.81Å; F657-Y688 HydrophobicContact CG-CD1 4.35Å; F657-Y688 HydrophobicContact CG-CE1 4.27Å; L670-Y688 CarbonylContact O-C 3.53Å; L670-Y688 WeakPolarHBondContact O-CA 3.13Å; V671-Y688 HydrophobicContact CB-CE1 4.33Å; V671-Y688 HydrophobicContact CG2-CD1 4.04Å; V671-Y688 HydrophobicContact CG2-CE1 3.47Å; V671-Y688 VanDerWaalsContact CG2-CE1 3.47Å; G686-Y688 VanDerWaalsContact O-CD2 3.26Å; G686-Y688 WeakPolarHBondContact O-CD2 3.1Å; G686-Y688 VanDerWaalsContact O-CE2 3.23Å; G686-Y688 WeakPolarHBondContact O-CE2 3.49Å; Y688-R690 PolarHBondContact O-N 3.26Å
689	T	95.6	Very high	86.5	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.6	168.6	-56.3	0	0	0	0	109.3	D545 I546 G669 L670 V691 Y694	D545-T689 WeakPolarHBondContact O-CB 3.21Å; D545-T689 PolarHBondContact O-OG1 2.79Å; I546-T689 HydrophobicContact CB-CG2 4.16Å; G669-T689 WeakPolarHBondContact CA-O 3.28Å; L670-T689 PolarHBondContact N-O 3.03Å; L670-T689 PolarHBondContact O-N 2.96Å; T689-V691 PolarHBondContact O-N 3.47Å; T689-Y694 HydrophobicContact CG2-CD2 4.06Å; T689-Y694 HydrophobicContact CG2-CE2 3.45Å; T689-Y694 VanDerWaalsContact CG2-CE2 3.45Å
690	R	94.1	Very high	87.5	Confident	32 Å²	32	39.2 Å²	39.2	12%	0.121	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	97.5	-178.4	-170.7	-175	-61.5	-91.5	1.1	110.7	L578 D634 N635 M636 F637 Y688 E692 K693 Y694	L578-R690 HydrophobicContact CD1-CG 3.98Å; D634-R690 PolarHBondContact O-NE 3.37Å; N635-R690 WeakPolarHBondContact O-CB 3.32Å; N635-R690 PolarHBondContact O-N 3.09Å; M636-R690 PolarHBondContact O-NH2 3.4Å; F637-R690 HydrophobicContact CD1-CB 4.14Å; F637-R690 HydrophobicContact CD1-CG 4.39Å; Y688-R690 PolarHBondContact O-N 3.26Å; R690-E692 HydrophobicContact CG-CB 4.44Å; R690-E692 PolarHBondContact O-N 2.67Å; R690-K693 HydrophobicContact CB-CG 4.27Å; R690-K693 HydrophobicContact CG-CG 4.15Å; R690-K693 WeakPolarHBondContact O-CB 3.27Å; R690-K693 PolarHBondContact O-N 3.47Å; R690-Y694 VanDerWaalsContact O-CD2 3.28Å; R690-Y694 WeakPolarHBondContact O-CD2 3.17Å; R690-Y694 WeakPolarHBondContact O-CE2 3.48Å
691	V	93.7	Very high	88.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.8	-32.4	-173.2	175.8	0	0	0	0	112.9	L485 L566 P567 V667 F668 L670 T689 K693 Y694 I698	L485-V691 HydrophobicContact CD2-CG1 4.21Å; L485-V691 HydrophobicContact CD2-CG2 4.24Å; L566-V691 HydrophobicContact CD2-CG1 4.23Å; P567-V691 HydrophobicContact CG-CB 4.45Å; P567-V691 HydrophobicContact CG-CG1 4.12Å; V667-V691 HydrophobicContact CG2-CG2 4.29Å; F668-V691 PolarHBondContact O-N 2.79Å; L670-V691 HydrophobicContact CD1-CG2 4.16Å; L670-V691 HydrophobicContact CG-CG2 3.86Å; T689-V691 PolarHBondContact O-N 3.47Å; V691-K693 PolarHBondContact O-N 2.88Å; V691-Y694 PolarHBondContact O-N 3.26Å; V691-I698 HydrophobicContact CG1-CD1 3.91Å
692	E	89.6	Confident	88.8	Confident	22 Å²	22	40.3 Å²	40.3	10%	0.103	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-53.2	-28	175.6	-65.8	-176.3	155.8	0	0	113.3	P567 S576 S577 F668 R690 Y694	P567-E692 HydrophobicContact CB-CG 3.88Å; P567-E692 HydrophobicContact CG-CG 3.8Å; S576-E692 PolarHBondContact OG-OE2 3.24Å; S577-E692 WeakPolarHBondContact CB-OE1 3.26Å; S577-E692 PolarHBondContact OG-OE1 3.44Å; S577-E692 VanDerWaalsContact OG-OE1 3.05Å; F668-E692 HydrophobicContact CD1-CG 4.11Å; F668-E692 WeakPolarHBondContact CD1-OE1 3.47Å; F668-E692 HydrophobicContact CE1-CG 4.46Å; F668-E692 VanDerWaalsContact CE1-OE1 3.22Å; F668-E692 WeakPolarHBondContact CE1-OE1 3.48Å; R690-E692 HydrophobicContact CG-CB 4.44Å; R690-E692 PolarHBondContact O-N 2.67Å; E692-Y694 VanDerWaalsContact C-N 3.32Å
693	K	90.9	Very high	88	Confident	125 Å²	125	43 Å²	43	54%	0.543	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-79.8	-11.2	179.9	-65.4	-70.2	-173.1	175.6	0	114	R690 V691	R690-K693 HydrophobicContact CB-CG 4.27Å; R690-K693 HydrophobicContact CG-CG 4.15Å; R690-K693 WeakPolarHBondContact O-CB 3.27Å; R690-K693 PolarHBondContact O-N 3.47Å; V691-K693 PolarHBondContact O-N 2.88Å
694	Y	93.1	Very high	86.7	Confident	7 Å²	7	39.1 Å²	39.1	3%	0.027	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-119.3	11	-173.9	-56.7	-84.4	0	0	0	113	H534 N544 I546 N635 T689 R690 V691 E692 D696 W697 I698	H534-Y694 AromaticContact CD2-CD1 3.61Å; H534-Y694 AromaticContact CD2-CE1 3.89Å; H534-Y694 AromaticContact NE2-CD1 3.58Å; H534-Y694 AromaticContact NE2-CE1 3.74Å; N544-Y694 VanDerWaalsContact CA-OH 3.24Å; N544-Y694 WeakPolarHBondContact CA-OH 3.44Å; N544-Y694 HydrophobicContact CB-CE1 4.13Å; N544-Y694 PolarHBondContact OD1-OH 3.36Å; I546-Y694 HydrophobicContact CD1-CD2 3.94Å; I546-Y694 HydrophobicContact CD1-CG 3.84Å; I546-Y694 HydrophobicContact CG2-CD1 3.76Å; I546-Y694 HydrophobicContact CG2-CD2 4.37Å; I546-Y694 HydrophobicContact CG2-CE1 3.97Å; I546-Y694 HydrophobicContact CG2-CG 3.97Å; N635-Y694 VanDerWaalsContact CB-OH 3.28Å; N635-Y694 WeakPolarHBondContact CB-OH 3.48Å; N635-Y694 PolarHBondContact ND2-OH 2.57Å; T689-Y694 HydrophobicContact CG2-CD2 4.06Å; T689-Y694 HydrophobicContact CG2-CE2 3.45Å; T689-Y694 VanDerWaalsContact CG2-CE2 3.45Å; R690-Y694 VanDerWaalsContact O-CD2 3.28Å; R690-Y694 WeakPolarHBondContact O-CD2 3.17Å; R690-Y694 WeakPolarHBondContact O-CE2 3.48Å; V691-Y694 PolarHBondContact O-N 3.26Å; E692-Y694 VanDerWaalsContact C-N 3.32Å; Y694-D696 VanDerWaalsContact C-N 3.32Å; Y694-D696 PolarHBondContact O-N 3.48Å; Y694-W697 PolarHBondContact O-N 3.22Å; Y694-W697 VanDerWaalsContact O-N 3.17Å; Y694-I698 VanDerWaalsContact O-CG1 3.3Å; Y694-I698 WeakPolarHBondContact O-CG1 3.23Å; Y694-I698 PolarHBondContact O-N 3.11Å
695	L	90.2	Very high	85	Confident	9 Å²	9	40.4 Å²	40.4	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-45	-177.1	-70.1	177.1	0	0	0	112.3	L566 P567 A569 W697 I698 Q699	L566-L695 HydrophobicContact CB-CD2 3.91Å; L566-L695 HydrophobicContact CD1-CD2 4.02Å; L566-L695 HydrophobicContact CD2-CD2 4.31Å; L566-L695 HydrophobicContact CG-CD2 4.3Å; P567-L695 HydrophobicContact CG-CD2 3.98Å; P567-L695 WeakPolarHBondContact O-CD1 3.32Å; A569-L695 HydrophobicContact CB-CD1 4.28Å; L695-W697 VanDerWaalsContact C-N 3.33Å; L695-W697 PolarHBondContact O-N 2.93Å; L695-I698 PolarHBondContact O-N 3.05Å; L695-Q699 WeakPolarHBondContact O-CB 3.03Å; L695-Q699 VanDerWaalsContact O-CG 3.27Å; L695-Q699 WeakPolarHBondContact O-CG 3.42Å; L695-Q699 PolarHBondContact O-N 3.46Å
696	D	89.4	Confident	83	Confident	132 Å²	132	46.2 Å²	46.2	71%	0.706	25%	0.249	S	C	*	.	H	α-helix	trans	-61.6	-42.6	179	-62	-18.7	0	0	0	111.6	Y694 Q699 S700	Y694-D696 VanDerWaalsContact C-N 3.32Å; Y694-D696 PolarHBondContact O-N 3.48Å; D696-Q699 PolarHBondContact O-N 3.36Å; D696-S700 PolarHBondContact O-N 2.81Å
697	W	92.9	Very high	81.4	Confident	33 Å²	33	47.9 Å²	47.9	13%	0.125	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-38.7	176.3	175.9	83.2	0	0	0	112.1	V532 H534 I546 L548 Y694 L695 S700 H701	V532-W697 HydrophobicContact CG1-CZ2 3.96Å; H534-W697 HydrophobicContact CB-CZ2 4.27Å; H534-W697 AromaticContact CD2-CD1 3.97Å; H534-W697 AromaticContact CD2-CD2 3.67Å; H534-W697 AromaticContact CD2-CE2 3.79Å; H534-W697 AromaticContact CD2-CG 3.81Å; H534-W697 AromaticContact CD2-NE1 3.94Å; I546-W697 HydrophobicContact CD1-CZ3 4.3Å; I546-W697 HydrophobicContact CG1-CZ3 4Å; I546-W697 HydrophobicContact CG2-CE3 4.38Å; I546-W697 HydrophobicContact CG2-CZ3 4.09Å; L548-W697 HydrophobicContact CB-CH2 4.3Å; L548-W697 HydrophobicContact CD1-CE3 4.45Å; L548-W697 HydrophobicContact CD1-CH2 3.98Å; L548-W697 HydrophobicContact CD1-CZ3 3.91Å; L548-W697 HydrophobicContact CG-CH2 3.78Å; L548-W697 HydrophobicContact CG-CZ3 3.77Å; Y694-W697 PolarHBondContact O-N 3.22Å; Y694-W697 VanDerWaalsContact O-N 3.17Å; L695-W697 VanDerWaalsContact C-N 3.33Å; L695-W697 PolarHBondContact O-N 2.93Å; W697-S700 PolarHBondContact O-OG 3.21Å; W697-H701 AromaticContact CD1-CE1 3.74Å; W697-H701 AromaticContact CE2-CE1 3.91Å; W697-H701 AromaticContact NE1-CE1 3.39Å; W697-H701 PolarHBondContact NE1-CE1 2.7Å; W697-H701 AromaticContact NE1-ND1 3.95Å; W697-H701 PolarHBondContact O-ND1 3.22Å
698	I	92.2	Very high	79.6	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-47.4	175.7	-64.7	166	0	0	0	109.9	L479 L485 I546 L548 L566 V691 Y694 L695 S700 H701 V702	L479-I698 HydrophobicContact CD1-CG2 3.86Å; L485-I698 HydrophobicContact CD1-CD1 4.09Å; L485-I698 HydrophobicContact CD1-CG1 4.41Å; L485-I698 HydrophobicContact CD2-CD1 4.47Å; I546-I698 HydrophobicContact CD1-CD1 4.14Å; L548-I698 HydrophobicContact CD2-CG2 4.38Å; L566-I698 HydrophobicContact CD1-CB 4.39Å; L566-I698 HydrophobicContact CD1-CG2 3.74Å; L566-I698 HydrophobicContact CD2-CD1 3.99Å; L566-I698 HydrophobicContact CD2-CG2 4.37Å; V691-I698 HydrophobicContact CG1-CD1 3.91Å; Y694-I698 VanDerWaalsContact O-CG1 3.3Å; Y694-I698 WeakPolarHBondContact O-CG1 3.23Å; Y694-I698 PolarHBondContact O-N 3.11Å; L695-I698 PolarHBondContact O-N 3.05Å; I698-S700 VanDerWaalsContact C-N 3.32Å; I698-S700 PolarHBondContact O-N 3.34Å; I698-H701 PolarHBondContact O-N 3.04Å; I698-V702 HydrophobicContact CG2-CG2 3.98Å; I698-V702 WeakPolarHBondContact O-CG2 3.37Å; I698-V702 PolarHBondContact O-N 3.49Å
699	Q	87.4	Confident	78.9	Confident	77 Å²	77	54.6 Å²	54.6	36%	0.36	29%	0.285	S	S	.	.	H	α-helix	trans	-64.3	-34.1	-177.7	-73.2	176.6	-2.6	0	0	112.8	L695 D696 H701 A704	L695-Q699 WeakPolarHBondContact O-CB 3.03Å; L695-Q699 VanDerWaalsContact O-CG 3.27Å; L695-Q699 WeakPolarHBondContact O-CG 3.42Å; L695-Q699 PolarHBondContact O-N 3.46Å; D696-Q699 PolarHBondContact O-N 3.36Å; Q699-H701 PolarHBondContact O-N 3.17Å; Q699-A704 HydrophobicContact CG-CB 4.5Å
700	S	88.6	Confident	78	Confident	84 Å²	84	57.4 Å²	57.4	59%	0.587	30%	0.299	S	S	*	.	H	α-helix	trans	-64.9	-21.8	177.5	75.7	0	0	0	0	113.6	D696 W697 I698	D696-S700 PolarHBondContact O-N 2.81Å; W697-S700 PolarHBondContact O-OG 3.21Å; I698-S700 VanDerWaalsContact C-N 3.32Å; I698-S700 PolarHBondContact O-N 3.34Å
701	H	87.7	Confident	77.1	Confident	61 Å²	61	58.8 Å²	58.8	28%	0.282	31%	0.309	S	S	.	.	H	α-helix	trans	-101.9	-39.9	-179	-68	85.1	0	0	0	113	W483 L548 W697 I698 Q699 Q703	W483-H701 HydrophobicContact CH2-CB 4.32Å; W483-H701 VanDerWaalsContact CZ2-O 3.26Å; W483-H701 WeakPolarHBondContact CZ2-O 3.34Å; L548-H701 HydrophobicContact CD1-CB 3.65Å; W697-H701 AromaticContact CD1-CE1 3.74Å; W697-H701 AromaticContact CE2-CE1 3.91Å; W697-H701 AromaticContact NE1-CE1 3.39Å; W697-H701 PolarHBondContact NE1-CE1 2.7Å; W697-H701 AromaticContact NE1-ND1 3.95Å; W697-H701 PolarHBondContact O-ND1 3.22Å; I698-H701 PolarHBondContact O-N 3.04Å; Q699-H701 PolarHBondContact O-N 3.17Å; H701-Q703 PolarHBondContact O-N 2.82Å
702	V	81.9	Confident	76.1	Confident	8 Å²	8	62.2 Å²	62.2	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-81.3	-2.8	-168.7	-175.8	0	0	0	0	113	L479 W483 L548 I698 W708	L479-V702 HydrophobicContact CD1-CG2 4.45Å; W483-V702 HydrophobicContact CB-CG1 3.83Å; W483-V702 HydrophobicContact CB-CG2 4.13Å; W483-V702 HydrophobicContact CD2-CB 4.41Å; W483-V702 HydrophobicContact CD2-CG1 4.32Å; W483-V702 HydrophobicContact CD2-CG2 3.88Å; W483-V702 HydrophobicContact CE3-CG2 4.11Å; W483-V702 HydrophobicContact CG-CB 4.22Å; W483-V702 HydrophobicContact CG-CG1 3.64Å; W483-V702 HydrophobicContact CG-CG2 3.92Å; L548-V702 HydrophobicContact CD1-CG2 3.95Å; L548-V702 HydrophobicContact CD2-CG2 4.18Å; I698-V702 HydrophobicContact CG2-CG2 3.98Å; I698-V702 WeakPolarHBondContact O-CG2 3.37Å; I698-V702 PolarHBondContact O-N 3.49Å; V702-W708 HydrophobicContact CB-CH2 4.14Å; V702-W708 HydrophobicContact CB-CZ2 4.26Å; V702-W708 HydrophobicContact CG1-CH2 3.53Å; V702-W708 HydrophobicContact CG1-CZ2 3.69Å
703	Q	61.8	Low	75.3	Confident	177 Å²	177	64.8 Å²	64.8	83%	0.827	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	74.2	-171.9	-73.7	-173	-3.8	0	0	110.1	H701 A705	H701-Q703 PolarHBondContact O-N 2.82Å; Q703-A705 PolarHBondContact O-N 2.85Å
704	A	49.6	Very low	74.2	Confident	47 Å²	47	60.7 Å²	60.7	39%	0.388	33%	0.328	S	S	.	.			trans	-51.4	105.4	-174.8	0	0	0	0	0	111.9	Q699 W708	Q699-A704 HydrophobicContact CG-CB 4.5Å; A704-W708 HydrophobicContact CB-CZ2 4.25Å
705	A	47.9	Very low	72.9	Confident	30 Å²	30	64.6 Å²	64.6	25%	0.248	35%	0.349	C	S	.	.			trans	-63.3	153.2	161.8	0	0	0	0	0	108.8	Q703 W707 W708	Q703-A705 PolarHBondContact O-N 2.85Å; A705-W707 HydrophobicContact CB-CD2 4.33Å; A705-W707 VanDerWaalsContact CB-CE2 3.49Å; A705-W707 HydrophobicContact CB-CG 4.36Å; A705-W707 HydrophobicContact CB-CZ2 3.92Å; A705-W707 PolarHBondContact O-N 3.04Å; A705-W708 PolarHBondContact O-NE1 2.97Å
706	P	43.1	Very low	71.6	Confident	125 Å²	125	68.8 Å²	68.8	81%	0.812	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	9.7	-162.2	-23.7	34.3	0	0	0	117.7
707	W	54.9	Low	70.1	Confident	35 Å²	35	63.6 Å²	63.6	13%	0.133	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	20.4	-159.9	47	-106	0	0	0	116.5	V397 A705	V397-W707 HydrophobicContact CB-CB 4.28Å; V397-W707 HydrophobicContact CB-CG 4.45Å; V397-W707 HydrophobicContact CG1-CB 3.98Å; V397-W707 HydrophobicContact CG1-CG 4.27Å; V397-W707 HydrophobicContact CG2-CB 3.68Å; V397-W707 HydrophobicContact CG2-CG 4.19Å; A705-W707 HydrophobicContact CB-CD2 4.33Å; A705-W707 VanDerWaalsContact CB-CE2 3.49Å; A705-W707 HydrophobicContact CB-CG 4.36Å; A705-W707 HydrophobicContact CB-CZ2 3.92Å; A705-W707 PolarHBondContact O-N 3.04Å
708	W	52.8	Low	68	Low	86 Å²	86	66.4 Å²	66.4	33%	0.326	37%	0.365	S	S	.	.			trans	-73.2	0	174.7	-55.2	79.4	0	0	0	113	L479 L566 V702 A704 A705	L479-W708 HydrophobicContact CB-CH2 4.29Å; L479-W708 HydrophobicContact CB-CZ3 4.32Å; L566-W708 HydrophobicContact CB-CE3 3.96Å; L566-W708 HydrophobicContact CB-CZ3 4.43Å; L566-W708 HydrophobicContact CD1-CD2 4.22Å; L566-W708 HydrophobicContact CD1-CE3 3.26Å; L566-W708 HydrophobicContact CD1-CH2 4.18Å; L566-W708 HydrophobicContact CD1-CZ3 3.25Å; L566-W708 HydrophobicContact CG-CE3 3.47Å; L566-W708 VanDerWaalsContact CG-CE3 3.47Å; L566-W708 HydrophobicContact CG-CZ3 3.47Å; L566-W708 VanDerWaalsContact CG-CZ3 3.47Å; V702-W708 HydrophobicContact CB-CH2 4.14Å; V702-W708 HydrophobicContact CB-CZ2 4.26Å; V702-W708 HydrophobicContact CG1-CH2 3.53Å; V702-W708 HydrophobicContact CG1-CZ2 3.69Å; A704-W708 HydrophobicContact CB-CZ2 4.25Å; A705-W708 PolarHBondContact O-NE1 2.97Å

Retrieved 708 of 708 residues in 416.2 ms (Link to these results)

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