A0A060XPC2_ONCMY Loading...

peptidylprolyl isomerase

PPIases accelerate the folding of proteins during protein synthesis.

AlphaFold DB , UniProt , Accession A0A060XPC2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene fkbp9, Length 565 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.2	Very low	233 Å²	233	162.6 Å²	162.6	100%	1.148	85%	0.845	S	S	*	*				0	124.4	0	-120.9	-177.6	-87.9	0	0	107.7
2	K	35.7	Very low	34	Very low	177 Å²	177	156.9 Å²	156.9	77%	0.77	84%	0.84	S	S	*	*			trans	74.4	105.7	166.2	-59.6	-175.6	178.5	-177.5	0	116.8
3	Q	33	Very low	34	Very low	174 Å²	174	155.2 Å²	155.2	81%	0.813	84%	0.837	S	S	*	*				78.3	108.6	88.9	-83.5	173.5	-29.9	0	0	112.1
4	C	31.6	Very low	34	Very low	123 Å²	123	156.3 Å²	156.3	83%	0.831	84%	0.842	S	S	*	*				65.4	123.6	83	-94.2	0	0	0	0	115.3
5	V	34.4	Very low	34.1	Very low	128 Å²	128	153.2 Å²	153.2	78%	0.776	83%	0.83	S	S	*	*				135.3	105.6	129.7	-175.6	0	0	0	0	114.3
6	H	32.4	Very low	34.2	Very low	191 Å²	191	149.5 Å²	149.5	88%	0.884	83%	0.827	S	S	*	*			trans	32.7	137.1	131.7	-74.9	45	0	0	0	122.3
7	G	31.8	Very low	34.3	Very low	78 Å²	78	152.4 Å²	152.4	80%	0.804	83%	0.829	S	S	*	*			trans	-179.7	77.6	153.8	0	0	0	0	0	112.8
8	M	36.5	Very low	34.4	Very low	156 Å²	156	149.5 Å²	149.5	77%	0.768	83%	0.829	S	S	*	*			trans	-58.6	142.9	164.1	-105.8	-176.4	147.6	0	0	110.8	Y10	M8-Y10 HydrophobicContact CE-CE2 4.1Å
9	I	35.8	Very low	34.5	Very low	171 Å²	171	146.4 Å²	146.4	88%	0.877	83%	0.825	S	S	*	*			trans	-168	134.6	133.5	-90.2	145.4	0	0	0	109.2
10	Y	36.6	Very low	34.7	Very low	188 Å²	188	145.9 Å²	145.9	74%	0.737	83%	0.83	S	S	*	*			trans	-64.7	147.8	-173.5	-82.1	-107.3	0	0	0	115.3	M8	M8-Y10 HydrophobicContact CE-CE2 4.1Å
11	L	32.6	Very low	35.1	Very low	170 Å²	170	146.5 Å²	146.5	89%	0.89	83%	0.831	S	S	*	*				-166.7	123.2	129.3	-134.1	75.5	0	0	0	114
12	A	32	Very low	35.2	Very low	94 Å²	94	139.3 Å²	139.3	78%	0.777	81%	0.808	S	S	*	*			trans	41.4	106.2	151.8	0	0	0	0	0	120.6
13	V	34.2	Very low	35.6	Very low	134 Å²	134	136.5 Å²	136.5	81%	0.812	81%	0.808	S	S	*	*			trans	-88.2	113	161.8	177.2	0	0	0	0	109.2	V15	V13-V15 HydrophobicContact CG1-CG2 3.69Å
14	L	34.4	Very low	36.6	Very low	171 Å²	171	133.9 Å²	133.9	90%	0.895	81%	0.806	S	S	*	*			trans	-87.8	107.6	159.4	-105.3	151.8	0	0	0	107.3	A16	L14-A16 PolarHBondContact O-N 3.27Å
15	V	35.1	Very low	37.6	Very low	110 Å²	110	129.7 Å²	129.7	67%	0.667	78%	0.776	S	S	*	*			trans	-82.1	102.3	170.9	-179.2	0	0	0	0	107.7	V13	V13-V15 HydrophobicContact CG1-CG2 3.69Å
16	A	35.4	Very low	38.8	Very low	94 Å²	94	127.2 Å²	127.2	78%	0.777	76%	0.763	S	S	*	*			trans	-82.4	120.5	163.7	0	0	0	0	0	108.4	L14 A18	L14-A16 PolarHBondContact O-N 3.27Å; A16-A18 PolarHBondContact O-N 2.85Å
17	F	36.2	Very low	40.2	Very low	199 Å²	199	124.4 Å²	124.4	87%	0.873	75%	0.754	S	S	*	*			trans	-64.5	118.2	169.5	-88.9	-95.3	0	0	0	109.3	A19	F17-A19 PolarHBondContact O-N 3.48Å
18	A	36.1	Very low	42.3	Very low	100 Å²	100	127.4 Å²	127.4	83%	0.826	75%	0.752	S	S	*	*			trans	-77.9	111.3	165.7	0	0	0	0	0	108.5	A16	A16-A18 PolarHBondContact O-N 2.85Å
19	A	36.7	Very low	44.7	Very low	90 Å²	90	123.8 Å²	123.8	74%	0.744	74%	0.736	S	S	*	*			trans	-71.2	135.6	165.2	0	0	0	0	0	108.4	F17 D21	F17-A19 PolarHBondContact O-N 3.48Å; A19-D21 PolarHBondContact O-N 3.4Å
20	C	38.4	Very low	47.4	Very low	137 Å²	137	116.8 Å²	116.8	93%	0.926	70%	0.7	S	S	*	*			trans	-79.2	113	179.4	-140.2	0	0	0	0	108.7	A22	C20-A22 PolarHBondContact O-N 3.32Å
21	D	42.9	Very low	50.1	Low	159 Å²	159	110 Å²	110	85%	0.85	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-72.7	117.7	176.9	-82	-38.4	0	0	0	111.2	A19	A19-D21 PolarHBondContact O-N 3.4Å
22	A	38.2	Very low	53.1	Low	82 Å²	82	105.1 Å²	105.1	68%	0.678	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-73.3	147.3	160.4	0	0	0	0	0	109.5	C20	C20-A22 PolarHBondContact O-N 3.32Å
23	P	44	Very low	56.2	Low	118 Å²	118	105.4 Å²	105.4	77%	0.766	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-59.8	139	-177.4	22.3	-31.3	0	0	0	111.5	V25	P23-V25 PolarHBondContact O-N 3.01Å
24	P	53.7	Low	59.1	Low	119 Å²	119	104.5 Å²	104.5	77%	0.773	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-65.1	133.8	-179.2	25.7	-32.1	0	0	0	110.3
25	V	53.2	Low	62	Low	34 Å²	34	99.8 Å²	99.8	21%	0.206	60%	0.6	C	S	.	*	P	Polyproline II helix	trans	-54.5	128.3	167.7	-179.9	0	0	0	0	107.4	P23 L27 V31 K104	P23-V25 PolarHBondContact O-N 3.01Å; V25-L27 PolarHBondContact O-N 2.92Å; V25-L27 VanDerWaalsContact O-N 3.08Å; V25-V31 HydrophobicContact CG1-CG2 3.95Å; V25-K104 HydrophobicContact CG2-CD 4.15Å
26	P	59.8	Low	64.9	Low	77 Å²	77	99.8 Å²	99.8	50%	0.5	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-52.7	120.2	172.3	-22.6	32.6	0	0	0	108.6	D28 V31	P26-D28 PolarHBondContact O-N 3.13Å; P26-V31 HydrophobicContact CG-CG2 4.29Å
27	L	61.1	Low	67.7	Low	131 Å²	131	98.9 Å²	98.9	69%	0.686	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-11.6	-169.7	-81.7	161.5	0	0	0	113.5	V25 Q108	V25-L27 PolarHBondContact O-N 2.92Å; V25-L27 VanDerWaalsContact O-N 3.08Å; L27-Q108 VanDerWaalsContact O-CD 3.27Å; L27-Q108 PolarHBondContact O-NE2 3.01Å; L27-Q108 PolarHBondContact O-OE1 3.16Å
28	D	75.8	Confident	70.4	Confident	141 Å²	141	90.4 Å²	90.4	75%	0.754	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-10.3	-171.4	-62.6	-29.8	0	0	0	115	P26	P26-D28 PolarHBondContact O-N 3.13Å
29	D	86.7	Confident	73	Confident	81 Å²	81	95.2 Å²	95.2	43%	0.433	55%	0.547	S	S	.	.	S	Bend	trans	-143.3	163.4	-176.3	-155.3	7.2	0	0	0	113.3	R90	D29-R90 IonicContact OD1-NH1 3.81Å
30	I	92.1	Very high	75.5	Confident	24 Å²	24	98 Å²	98	12%	0.123	55%	0.545	C	S	.	.			trans	-72.1	147	176.2	59.2	174	0	0	0	111.6	I32 R90 A91 K104 I105 L109	I30-I32 HydrophobicContact CD1-CD1 3.79Å; I30-I32 HydrophobicContact CD1-CG1 3.96Å; I30-I32 HydrophobicContact CG1-CD1 4.5Å; I30-I32 HydrophobicContact CG1-CG1 4.32Å; I30-R90 HydrophobicContact CD1-CB 3.73Å; I30-A91 HydrophobicContact CD1-CB 3.95Å; I30-K104 WeakPolarHBondContact CA-O 3.47Å; I30-I105 HydrophobicContact CG2-CG1 4.18Å; I30-I105 HydrophobicContact CG2-CG2 4.31Å; I30-L109 HydrophobicContact CG2-CD1 3.76Å
31	V	94.1	Very high	78	Confident	45 Å²	45	94.4 Å²	94.4	27%	0.273	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.4	168.5	-179.4	0	0	0	0	108.5	V25 P26 V103 K104	V25-V31 HydrophobicContact CG1-CG2 3.95Å; P26-V31 HydrophobicContact CG-CG2 4.29Å; V31-V103 CarbonylContact O-C 3.46Å; V31-V103 WeakPolarHBondContact O-CA 3.45Å; V31-K104 HydrophobicContact CB-CB 4.15Å; V31-K104 HydrophobicContact CB-CG 4.48Å; V31-K104 PolarHBondContact N-O 3.27Å; V31-K104 PolarHBondContact O-N 3.39Å
32	I	95.4	Very high	80.1	Confident	67 Å²	67	93.5 Å²	93.5	34%	0.344	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.7	176.1	-57.4	174.7	0	0	0	108.8	I30 A91 R101	I30-I32 HydrophobicContact CD1-CD1 3.79Å; I30-I32 HydrophobicContact CD1-CG1 3.96Å; I30-I32 HydrophobicContact CG1-CD1 4.5Å; I30-I32 HydrophobicContact CG1-CG1 4.32Å; I32-A91 HydrophobicContact CD1-CB 4.33Å; I32-A91 HydrophobicContact CG1-CB 4.47Å; I32-R101 HydrophobicContact CG2-CB 4.4Å; I32-R101 HydrophobicContact CG2-CG 4.06Å
33	E	95.8	Very high	82.5	Confident	100 Å²	100	93.1 Å²	93.1	47%	0.467	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.3	169.5	-178.3	178.7	171.7	0	0	108.8	T35 R101 L102	E33-T35 HydrophobicContact CG-CG2 4.45Å; E33-T35 PolarHBondContact O-N 3.02Å; E33-R101 CarbonylContact O-C 3.39Å; E33-R101 WeakPolarHBondContact O-CA 3.46Å; E33-L102 HydrophobicContact CB-CB 4.28Å; E33-L102 PolarHBondContact N-O 2.6Å; E33-L102 PolarHBondContact O-N 3.14Å
34	K	95.5	Very high	85	Confident	115 Å²	115	89.2 Å²	89.2	50%	0.5	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	100.9	176.5	-61.5	-173.6	178	-163.8	0	108.8	V37 E99	K34-V37 HydrophobicContact CB-CG2 3.76Å; K34-V37 HydrophobicContact CD-CG2 3.77Å; K34-V37 HydrophobicContact CG-CG2 4.36Å; K34-E99 VanDerWaalsContact CD-OE1 3.31Å; K34-E99 WeakPolarHBondContact CD-OE1 3.41Å; K34-E99 VanDerWaalsContact CE-OE1 3.28Å; K34-E99 WeakPolarHBondContact CE-OE1 3.13Å; K34-E99 IonicContact NZ-OE1 2.68Å
35	T	95.3	Very high	87.1	Confident	72 Å²	72	83.7 Å²	83.7	44%	0.442	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-25.3	-177.8	52.8	0	0	0	0	112.1	E33 R100 L102	E33-T35 HydrophobicContact CG-CG2 4.45Å; E33-T35 PolarHBondContact O-N 3.02Å; T35-R100 PolarHBondContact N-O 3.08Å; T35-R100 VanDerWaalsContact OG1-CB 3.22Å; T35-R100 WeakPolarHBondContact OG1-CB 3.21Å; T35-R100 PolarHBondContact OG1-O 3.05Å; T35-L102 HydrophobicContact CG2-CB 3.85Å
36	F	96.6	Very high	89.2	Confident	110 Å²	110	89 Å²	89	48%	0.482	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	136.6	170.6	174.2	-96.9	0	0	0	110.1	N98 E99 R100	F36-N98 WeakPolarHBondContact CD1-O 3.39Å; F36-N98 VanDerWaalsContact CE1-O 3.26Å; F36-N98 WeakPolarHBondContact CE1-O 3.39Å; F36-E99 WeakPolarHBondContact O-CA 3.44Å; F36-E99 WeakPolarHBondContact O-CG 3.35Å; F36-R100 HydrophobicContact CB-CB 4.02Å; F36-R100 HydrophobicContact CB-CG 4.34Å; F36-R100 PolarHBondContact N-O 3.27Å; F36-R100 PolarHBondContact O-N 3.25Å
37	V	94.2	Very high	90.9	Very high	75 Å²	75	90.5 Å²	90.5	46%	0.455	47%	0.47	S	S	.	.			trans	-125.7	126.4	176.7	-175.9	0	0	0	0	108.2	K34 E99	K34-V37 HydrophobicContact CB-CG2 3.76Å; K34-V37 HydrophobicContact CD-CG2 3.77Å; K34-V37 HydrophobicContact CG-CG2 4.36Å; V37-E99 HydrophobicContact CG2-CG 4.4Å
38	P	93.6	Very high	92.4	Very high	22 Å²	22	85.2 Å²	85.2	14%	0.143	45%	0.448	C	S	.	.			trans	-64.9	149.7	176.9	31.5	-39.6	0	0	0	110.7	Q40 C96 V97 N98	P38-Q40 PolarHBondContact O-N 2.68Å; P38-C96 HydrophobicContact CG-CB 3.89Å; P38-V97 WeakPolarHBondContact CG-O 3Å; P38-N98 HydrophobicContact CB-CB 4.48Å
39	E	90.9	Very high	93.5	Very high	201 Å²	201	78.7 Å²	78.7	94%	0.939	41%	0.413	S	S	*	.	S	Bend	trans	-61.2	-32.6	177.1	-66	-174	169.6	0	0	112.6
40	Q	88.8	Confident	93.9	Very high	149 Å²	149	76 Å²	76	70%	0.696	40%	0.397	S	S	*	.			trans	-119.1	127.8	179.2	-63.4	-176.1	9.6	0	0	110.2	P38	P38-Q40 PolarHBondContact O-N 2.68Å
41	C	90.4	Very high	94.2	Very high	60 Å²	60	74.9 Å²	74.9	41%	0.405	39%	0.391	S	S	.	.			trans	-116.4	88.9	170.5	-175.9	0	0	0	0	109	R43 C96	C41-R43 VanDerWaalsContact C-N 3.27Å; C41-R43 PolarHBondContact O-N 3.24Å; C41-C96 HydrophobicContact CB-CB 3.73Å; C41-C96 WeakPolarHBondContact CB-SG 3.45Å; C41-C96 WeakPolarHBondContact SG-CB 3.42Å; C41-C96 CovalentContact SG-SG 2.02Å; C41-C96 PolarHBondContact SG-SG 2.64Å
42	V	86	Confident	94.2	Very high	141 Å²	141	73.1 Å²	73.1	86%	0.855	38%	0.38	S	S	*	.	S	Bend	trans	-63.3	-39.2	178.5	-179.5	0	0	0	0	110.5
43	R	90.5	Very high	94.3	Very high	73 Å²	73	70.2 Å²	70.2	28%	0.275	36%	0.364	S	S	.	.			trans	-142.7	131.1	177.1	178.3	173.9	-177.2	151.5	4.2	110.2	C41 D49 V135 D140	C41-R43 VanDerWaalsContact C-N 3.27Å; C41-R43 PolarHBondContact O-N 3.24Å; R43-D49 IonicContact CZ-OD1 3.58Å; R43-D49 IonicContact CZ-OD2 3.54Å; R43-D49 IonicContact NE-OD2 2.82Å; R43-D49 PolarHBondContact NE-OD2 3.1Å; R43-D49 VanDerWaalsContact NH2-CG 3.34Å; R43-D49 IonicContact NH2-OD1 3.23Å; R43-D49 PolarHBondContact NH2-OD1 2.88Å; R43-D49 IonicContact NH2-OD2 3.74Å; R43-D49 PolarHBondContact NH2-OD2 3.07Å; R43-V135 HydrophobicContact CB-CG1 4.34Å; R43-V135 HydrophobicContact CG-CG1 4.11Å; R43-D140 IonicContact CZ-OD1 3.32Å; R43-D140 IonicContact CZ-OD2 2.87Å; R43-D140 IonicContact NH1-OD1 2.8Å; R43-D140 PolarHBondContact NH1-OD1 3.35Å; R43-D140 IonicContact NH1-OD2 2.64Å; R43-D140 PolarHBondContact NH1-OD2 3.17Å; R43-D140 IonicContact NH2-OD1 3.42Å; R43-D140 IonicContact NH2-OD2 3.33Å
44	A	95.5	Very high	94.4	Very high	37 Å²	37	67 Å²	67	31%	0.306	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-98.3	142.1	166.8	0	0	0	0	0	109.6	K46 M95	A44-K46 PolarHBondContact O-N 2.82Å; A44-M95 WeakPolarHBondContact CA-O 3.09Å
45	V	97.6	Very high	94.5	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.018	33%	0.329	C	S	.	.			trans	-58.1	131.8	179.6	172.3	0	0	0	0	111.5	V51 V79 L92 G94 M95 L132 V135	V45-V51 HydrophobicContact CB-CG1 4.43Å; V45-V51 HydrophobicContact CG1-CG1 3.87Å; V45-V51 HydrophobicContact CG2-CG1 3.62Å; V45-V79 HydrophobicContact CG1-CB 4.19Å; V45-V79 HydrophobicContact CG1-CG1 4.18Å; V45-V79 HydrophobicContact CG1-CG2 3.79Å; V45-L92 VanDerWaalsContact CB-O 3.3Å; V45-L92 WeakPolarHBondContact CB-O 3.5Å; V45-L92 WeakPolarHBondContact CG1-O 3.31Å; V45-G94 PolarHBondContact O-N 2.91Å; V45-M95 HydrophobicContact CG2-CB 4.39Å; V45-M95 WeakPolarHBondContact CG2-O 3.37Å; V45-M95 PolarHBondContact N-O 3.45Å; V45-L132 HydrophobicContact CG2-CD1 4.47Å; V45-L132 HydrophobicContact CG2-CD2 3.45Å; V45-L132 VanDerWaalsContact CG2-CD2 3.45Å; V45-V135 HydrophobicContact CB-CG2 4.49Å; V45-V135 HydrophobicContact CG2-CB 4.2Å; V45-V135 HydrophobicContact CG2-CG2 3.8Å
46	K	96.9	Very high	94.5	Very high	146 Å²	146	60.7 Å²	60.7	64%	0.635	32%	0.317	S	S	*	.			trans	-116.8	162.4	172.2	-63.8	176	-174.1	172.3	0	111	A44 G48 D49	A44-K46 PolarHBondContact O-N 2.82Å; K46-G48 PolarHBondContact O-N 2.71Å; K46-D49 PolarHBondContact N-OD2 2.77Å; K46-D49 VanDerWaalsContact O-CB 3.31Å; K46-D49 WeakPolarHBondContact O-CB 3.48Å; K46-D49 PolarHBondContact O-N 3.22Å; K46-D49 VanDerWaalsContact O-N 3.08Å
47	V	95.2	Very high	94.6	Very high	107 Å²	107	55.5 Å²	55.5	65%	0.648	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	130.3	170.8	175.3	0	0	0	0	109.2	V93	V47-V93 HydrophobicContact CG2-CG2 4.22Å
48	G	94.3	Very high	94.7	Very high	21 Å²	21	54.4 Å²	54.4	22%	0.216	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	95	-12.9	-175.6	0	0	0	0	0	114.7	K46 Y78 V79	K46-G48 PolarHBondContact O-N 2.71Å; G48-Y78 WeakPolarHBondContact O-CD1 3.48Å; G48-V79 PolarHBondContact N-O 2.86Å
49	D	97.1	Very high	94.7	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	28%	0.284	C	S	.	.			trans	-70.2	145.6	173.7	-70.4	-14.7	0	0	0	111.1	R43 K46 Y78 V79 V135 N137	R43-D49 IonicContact CZ-OD1 3.58Å; R43-D49 IonicContact CZ-OD2 3.54Å; R43-D49 IonicContact NE-OD2 2.82Å; R43-D49 PolarHBondContact NE-OD2 3.1Å; R43-D49 VanDerWaalsContact NH2-CG 3.34Å; R43-D49 IonicContact NH2-OD1 3.23Å; R43-D49 PolarHBondContact NH2-OD1 2.88Å; R43-D49 IonicContact NH2-OD2 3.74Å; R43-D49 PolarHBondContact NH2-OD2 3.07Å; K46-D49 PolarHBondContact N-OD2 2.77Å; K46-D49 VanDerWaalsContact O-CB 3.31Å; K46-D49 WeakPolarHBondContact O-CB 3.48Å; K46-D49 PolarHBondContact O-N 3.22Å; K46-D49 VanDerWaalsContact O-N 3.08Å; D49-Y78 CarbonylContact O-C 3.56Å; D49-Y78 WeakPolarHBondContact O-CA 2.88Å; D49-V79 PolarHBondContact O-N 3.3Å; D49-V135 HydrophobicContact CB-CG2 3.91Å; D49-N137 PolarHBondContact OD1-ND2 3.22Å
50	Y	96.5	Very high	94.9	Very high	25 Å²	25	48.8 Å²	48.8	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.5	165.1	-168.9	-91	0	0	0	108.9	N76 V77 Y78 V135 W136 Q235	Y50-N76 HydrophobicContact CE1-CB 3.91Å; Y50-N76 HydrophobicContact CE2-CB 4.48Å; Y50-N76 WeakPolarHBondContact OH-CB 3.48Å; Y50-V77 WeakPolarHBondContact CA-O 3.37Å; Y50-Y78 HydrophobicContact CD2-CD1 4.19Å; Y50-Y78 AromaticContact CD2-CD2 3.9Å; Y50-Y78 HydrophobicContact CD2-CD2 3.9Å; Y50-Y78 AromaticContact CD2-CE1 3.99Å; Y50-Y78 HydrophobicContact CD2-CE1 3.99Å; Y50-Y78 AromaticContact CD2-CE2 3.67Å; Y50-Y78 HydrophobicContact CD2-CE2 3.67Å; Y50-Y78 HydrophobicContact CD2-CG 4.15Å; Y50-Y78 AromaticContact CD2-CZ 3.71Å; Y50-Y78 HydrophobicContact CE2-CD2 4.45Å; Y50-Y78 HydrophobicContact CE2-CE2 4.15Å; Y50-Y78 HydrophobicContact CG-CE1 4.45Å; Y50-V135 WeakPolarHBondContact O-CA 3.46Å; Y50-W136 HydrophobicContact CD1-CD2 4.49Å; Y50-W136 AromaticContact CD1-CE2 3.45Å; Y50-W136 VanDerWaalsContact CD1-CE2 3.45Å; Y50-W136 AromaticContact CD1-CZ2 3.52Å; Y50-W136 HydrophobicContact CD1-CZ2 3.52Å; Y50-W136 AromaticContact CD1-NE1 3.26Å; Y50-W136 VanDerWaalsContact CD1-NE1 3.26Å; Y50-W136 HydrophobicContact CD2-CZ2 4.11Å; Y50-W136 HydrophobicContact CE1-CZ2 4.03Å; Y50-W136 AromaticContact CE1-NE1 3.94Å; Y50-W136 AromaticContact CG-CE2 3.7Å; Y50-W136 HydrophobicContact CG-CH2 4.23Å; Y50-W136 AromaticContact CG-CZ2 3.52Å; Y50-W136 HydrophobicContact CG-CZ2 3.52Å; Y50-W136 AromaticContact CG-NE1 3.97Å; Y50-W136 PolarHBondContact N-O 2.95Å; Y50-W136 PolarHBondContact O-N 3.42Å; Y50-Q235 HydrophobicContact CE1-CB 3.63Å; Y50-Q235 HydrophobicContact CE1-CG 4.2Å
51	V	97	Very high	95	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.5	178.8	-63.9	0	0	0	0	111.1	V45 Y53 N76 V77 V79 L92 L132 D134 V135	V45-V51 HydrophobicContact CB-CG1 4.43Å; V45-V51 HydrophobicContact CG1-CG1 3.87Å; V45-V51 HydrophobicContact CG2-CG1 3.62Å; V51-Y53 HydrophobicContact CG2-CD1 3.88Å; V51-Y53 HydrophobicContact CG2-CE1 4.11Å; V51-N76 VanDerWaalsContact O-CA 3.31Å; V51-N76 WeakPolarHBondContact O-CA 3.35Å; V51-V77 HydrophobicContact CG2-CG1 3.96Å; V51-V77 PolarHBondContact N-O 2.92Å; V51-V77 PolarHBondContact O-N 3.45Å; V51-V77 VanDerWaalsContact O-N 3.13Å; V51-V79 HydrophobicContact CB-CG2 4.3Å; V51-V79 HydrophobicContact CG1-CG2 3.72Å; V51-V79 HydrophobicContact CG2-CG2 3.56Å; V51-L92 HydrophobicContact CG2-CD1 4.17Å; V51-L132 HydrophobicContact CB-CD1 3.82Å; V51-L132 HydrophobicContact CG1-CD1 4.06Å; V51-D134 WeakPolarHBondContact CA-O 3.24Å; V51-V135 HydrophobicContact CG1-CB 4.42Å; V51-V135 HydrophobicContact CG1-CG2 4.21Å
52	R	95.9	Very high	95	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.9	169.1	174.2	164.3	65.1	113.7	4	108.4	T74 Y75 N76 L133 D134 P233	R52-T74 WeakPolarHBondContact CD-OG1 3.16Å; R52-T74 HydrophobicContact CG-CG2 3.85Å; R52-Y75 WeakPolarHBondContact CA-O 3.13Å; R52-N76 WeakPolarHBondContact CB-OD1 3.46Å; R52-N76 WeakPolarHBondContact CG-OD1 3.29Å; R52-L133 HydrophobicContact CG-CB 4.45Å; R52-L133 HydrophobicContact CG-CD1 4.44Å; R52-L133 WeakPolarHBondContact O-CA 3.4Å; R52-L133 WeakPolarHBondContact O-CB 3.38Å; R52-L133 PolarHBondContact O-N 3.16Å; R52-D134 HydrophobicContact CB-CB 3.69Å; R52-D134 IonicContact CZ-OD2 2.74Å; R52-D134 PolarHBondContact N-O 2.93Å; R52-D134 VanDerWaalsContact N-O 3.08Å; R52-D134 IonicContact NE-OD2 2.68Å; R52-D134 IonicContact NH2-OD2 3.96Å; R52-D134 PolarHBondContact NH2-OD2 3Å; R52-D134 PolarHBondContact O-N 3.1Å; R52-P233 VanDerWaalsContact NH1-CG 3.34Å
53	Y	96.8	Very high	95.4	Very high	6 Å²	6	46.9 Å²	46.9	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.5	-176.3	67	-88.3	0	0	0	112.1	V51 Y55 Y75 V77 M88 L92 V130 L131	V51-Y53 HydrophobicContact CG2-CD1 3.88Å; V51-Y53 HydrophobicContact CG2-CE1 4.11Å; Y53-Y55 HydrophobicContact CD2-CD1 4.25Å; Y53-Y55 AromaticContact CE2-CD1 3.7Å; Y53-Y55 HydrophobicContact CE2-CD1 3.7Å; Y53-Y55 HydrophobicContact CE2-CG 4.25Å; Y53-Y75 AromaticContact CE1-CD1 3.82Å; Y53-Y75 HydrophobicContact CE1-CD1 3.82Å; Y53-Y75 HydrophobicContact CE1-CG 4.44Å; Y53-Y75 AromaticContact CZ-CD1 3.69Å; Y53-Y75 PolarHBondContact N-O 3.01Å; Y53-Y75 PolarHBondContact O-N 3.34Å; Y53-Y75 VanDerWaalsContact OH-CD1 3.31Å; Y53-Y75 WeakPolarHBondContact OH-CD1 3.37Å; Y53-V77 HydrophobicContact CE1-CG1 4.1Å; Y53-M88 HydrophobicContact CD2-CE 4.08Å; Y53-M88 HydrophobicContact CE1-CE 4.47Å; Y53-M88 HydrophobicContact CE2-CE 3.39Å; Y53-L92 HydrophobicContact CD1-CD1 4.37Å; Y53-L92 HydrophobicContact CD1-CD2 4.15Å; Y53-L92 HydrophobicContact CE1-CD1 3.78Å; Y53-L92 HydrophobicContact CE1-CD2 4.26Å; Y53-L92 HydrophobicContact CG-CD2 4.36Å; Y53-V130 HydrophobicContact CD2-CG1 3.71Å; Y53-V130 HydrophobicContact CE2-CG1 4.31Å; Y53-V130 HydrophobicContact CG-CG1 4.25Å; Y53-L131 CarbonylContact C-O 3.56Å; Y53-L131 VanDerWaalsContact CA-O 3.23Å; Y53-L131 WeakPolarHBondContact CA-O 3.29Å; Y53-L131 WeakPolarHBondContact CB-O 3.34Å
54	H	97.3	Very high	95.7	Very high	34 Å²	34	48.1 Å²	48.1	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	148	164.5	-84.3	-57.1	0	0	0	110.3	S68 Y69 V130 L131 L133	H54-S68 VanDerWaalsContact CA-OG 3.31Å; H54-S68 WeakPolarHBondContact CA-OG 3.32Å; H54-S68 PolarHBondContact ND1-OG 2.92Å; H54-Y69 HydrophobicContact CB-CE1 3.98Å; H54-Y69 HydrophobicContact CB-CE2 3.73Å; H54-Y69 VanDerWaalsContact CB-CZ 3.43Å; H54-Y69 WeakPolarHBondContact CB-OH 3.39Å; H54-Y69 AromaticContact CD2-CE1 3.77Å; H54-Y69 AromaticContact CG-CE1 3.68Å; H54-Y69 AromaticContact CG-CZ 3.68Å; H54-V130 CarbonylContact O-C 3.56Å; H54-V130 WeakPolarHBondContact O-CA 3.36Å; H54-L131 HydrophobicContact CB-CB 4.43Å; H54-L131 PolarHBondContact N-O 3.32Å; H54-L131 PolarHBondContact O-N 3.36Å; H54-L133 VanDerWaalsContact CD2-CD1 3.48Å; H54-L133 WeakPolarHBondContact CD2-CD1 3.36Å
55	Y	97.1	Very high	95.7	Very high	17 Å²	17	48.1 Å²	48.1	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.6	169.7	72.8	-84.9	0	0	0	113.4	Y53 D66 S67 S68 R71 Y75 F128 D129	Y53-Y55 HydrophobicContact CD2-CD1 4.25Å; Y53-Y55 AromaticContact CE2-CD1 3.7Å; Y53-Y55 HydrophobicContact CE2-CD1 3.7Å; Y53-Y55 HydrophobicContact CE2-CG 4.25Å; Y55-D66 HydrophobicContact CE2-CB 4.31Å; Y55-D66 PolarHBondContact OH-OD2 3Å; Y55-S67 PolarHBondContact O-OG 2.82Å; Y55-S68 PolarHBondContact N-OG 3.29Å; Y55-S68 PolarHBondContact O-N 2.86Å; Y55-S68 PolarHBondContact O-OG 2.72Å; Y55-R71 PolarHBondContact OH-NH1 3.06Å; Y55-R71 PolarHBondContact OH-NH2 3.05Å; Y55-Y75 HydrophobicContact CE1-CD2 4.07Å; Y55-Y75 HydrophobicContact CE1-CG 4.22Å; Y55-F128 AromaticContact CD2-CD1 3.7Å; Y55-F128 HydrophobicContact CD2-CD1 3.7Å; Y55-F128 AromaticContact CD2-CE1 3.85Å; Y55-F128 HydrophobicContact CD2-CE1 3.85Å; Y55-F128 HydrophobicContact CE2-CD1 4.36Å; Y55-F128 HydrophobicContact CE2-CE1 4.03Å; Y55-F128 HydrophobicContact CG-CD1 4.36Å; Y55-D129 CarbonylContact C-O 3.58Å; Y55-D129 WeakPolarHBondContact CA-O 3.47Å
56	N	97.1	Very high	95.5	Very high	37 Å²	37	50.3 Å²	50.3	20%	0.198	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.1	162.6	-70.4	-47.9	0	0	0	109.4	S67 Y69 F128 D129	N56-S67 VanDerWaalsContact OD1-CB 3.31Å; N56-S67 WeakPolarHBondContact OD1-CB 3.42Å; N56-S67 PolarHBondContact OD1-OG 3.25Å; N56-Y69 WeakPolarHBondContact OD1-CD2 3.3Å; N56-F128 WeakPolarHBondContact O-CA 3.45Å; N56-D129 HydrophobicContact CB-CB 4.41Å; N56-D129 PolarHBondContact N-O 3.22Å; N56-D129 PolarHBondContact O-N 2.98Å
57	G	96.8	Very high	95.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.4	176.5	0	0	0	0	0	111.5	K64 F65 D66 H127	G57-K64 WeakPolarHBondContact O-CA 3.23Å; G57-F65 WeakPolarHBondContact O-CD1 3.25Å; G57-F65 PolarHBondContact O-N 2.95Å; G57-D66 WeakPolarHBondContact CA-O 3.35Å; G57-D66 PolarHBondContact N-O 2.86Å; G57-D66 PolarHBondContact O-N 2.74Å; G57-H127 WeakPolarHBondContact CA-O 3.47Å
58	M	96.6	Very high	95.4	Very high	52 Å²	52	38.2 Å²	38.2	26%	0.256	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.4	-176.7	-63.9	170.3	-67.8	0	0	111.2	K63 K64 F65 H127 D129	M58-K63 CarbonylContact C-O 3.58Å; M58-K63 WeakPolarHBondContact CA-O 3.17Å; M58-K64 HydrophobicContact CG-CB 4.21Å; M58-F65 VanDerWaalsContact N-CE1 3.28Å; M58-H127 PolarHBondContact N-O 3.03Å; M58-H127 WeakPolarHBondContact O-CA 3.45Å; M58-H127 WeakPolarHBondContact O-CB 3.4Å; M58-H127 PolarHBondContact O-N 3.31Å; M58-D129 HydrophobicContact CE-CB 4.47Å
59	F	95.2	Very high	95.4	Very high	27 Å²	27	41.2 Å²	41.2	12%	0.118	21%	0.21	C	C	.	.			trans	-80.5	168.5	166.7	-65.5	-65.7	0	0	0	111.2	D61 G62 K63 F65 V119 A124 L126	F59-D61 VanDerWaalsContact CB-OD1 3.24Å; F59-D61 WeakPolarHBondContact CB-OD1 3.18Å; F59-D61 PolarHBondContact O-N 2.86Å; F59-G62 WeakPolarHBondContact O-CA 3.31Å; F59-G62 PolarHBondContact O-N 2.88Å; F59-K63 HydrophobicContact CD2-CB 4.16Å; F59-K63 HydrophobicContact CD2-CD 4.49Å; F59-K63 HydrophobicContact CD2-CG 4.43Å; F59-K63 WeakPolarHBondContact CD2-O 3.36Å; F59-K63 PolarHBondContact N-O 2.82Å; F59-F65 HydrophobicContact CD1-CD1 4.35Å; F59-F65 HydrophobicContact CD2-CB 4.49Å; F59-F65 HydrophobicContact CD2-CD1 4.15Å; F59-F65 HydrophobicContact CE1-CD1 4.13Å; F59-F65 HydrophobicContact CE2-CB 3.75Å; F59-F65 AromaticContact CE2-CD1 3.94Å; F59-F65 HydrophobicContact CE2-CD1 3.94Å; F59-F65 HydrophobicContact CE2-CG 4.25Å; F59-F65 HydrophobicContact CG-CD1 4.35Å; F59-F65 HydrophobicContact CZ-CB 4.06Å; F59-F65 AromaticContact CZ-CD1 3.92Å; F59-F65 HydrophobicContact CZ-CD1 3.92Å; F59-F65 HydrophobicContact CZ-CG 4.23Å; F59-V119 WeakPolarHBondContact CZ-O 3.17Å; F59-A124 HydrophobicContact CD1-CB 4.5Å; F59-A124 HydrophobicContact CE1-CB 4.09Å; F59-L126 HydrophobicContact CD1-CD2 4.3Å; F59-L126 HydrophobicContact CE1-CD2 4Å
60	P	93.2	Very high	95.2	Very high	78 Å²	78	45.9 Å²	45.9	51%	0.506	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.9	178.6	-25.9	36.3	0	0	0	114.5	G62 I125	P60-G62 PolarHBondContact O-N 3.44Å; P60-I125 WeakPolarHBondContact CD-O 3.25Å; P60-I125 HydrophobicContact CG-CB 3.98Å; P60-I125 HydrophobicContact CG-CG2 4.12Å
61	D	91.7	Very high	94.9	Very high	126 Å²	126	50 Å²	50	67%	0.674	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.2	173.8	67.9	-1.7	0	0	0	113.5	F59 K63	F59-D61 VanDerWaalsContact CB-OD1 3.24Å; F59-D61 WeakPolarHBondContact CB-OD1 3.18Å; F59-D61 PolarHBondContact O-N 2.86Å; D61-K63 WeakPolarHBondContact OD1-CB 3.48Å; D61-K63 PolarHBondContact OD1-N 3.18Å
62	G	91.3	Very high	94.4	Very high	48 Å²	48	55.4 Å²	55.4	50%	0.495	29%	0.289	S	S	.	.	S	Bend	trans	85.7	-1.4	-178.4	0	0	0	0	0	114.6	F59 P60 K64	F59-G62 WeakPolarHBondContact O-CA 3.31Å; F59-G62 PolarHBondContact O-N 2.88Å; P60-G62 PolarHBondContact O-N 3.44Å; G62-K64 PolarHBondContact O-N 3.11Å
63	K	94.4	Very high	94.1	Very high	137 Å²	137	57.7 Å²	57.7	60%	0.596	31%	0.305	S	S	*	.			trans	-69.2	118.2	178	-176.4	-178	177.6	-172.9	0	110.2	M58 F59 D61	M58-K63 CarbonylContact C-O 3.58Å; M58-K63 WeakPolarHBondContact CA-O 3.17Å; F59-K63 HydrophobicContact CD2-CB 4.16Å; F59-K63 HydrophobicContact CD2-CD 4.49Å; F59-K63 HydrophobicContact CD2-CG 4.43Å; F59-K63 WeakPolarHBondContact CD2-O 3.36Å; F59-K63 PolarHBondContact N-O 2.82Å; D61-K63 WeakPolarHBondContact OD1-CB 3.48Å; D61-K63 PolarHBondContact OD1-N 3.18Å
64	K	96	Very high	93.9	Very high	99 Å²	99	59 Å²	59	43%	0.43	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.6	175.8	-172.8	175.8	66.1	168.9	0	111.1	G57 M58 G62 D70	G57-K64 WeakPolarHBondContact O-CA 3.23Å; M58-K64 HydrophobicContact CG-CB 4.21Å; G62-K64 PolarHBondContact O-N 3.11Å; K64-D70 WeakPolarHBondContact CE-OD2 3.27Å; K64-D70 IonicContact NZ-OD1 3.75Å; K64-D70 PolarHBondContact NZ-OD1 2.85Å; K64-D70 IonicContact NZ-OD2 2.82Å; K64-D70 PolarHBondContact NZ-OD2 3.11Å
65	F	94.8	Very high	93.7	Very high	36 Å²	36	61 Å²	61	16%	0.158	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-26.6	174.7	64.9	-102.3	0	0	0	113.4	G57 M58 F59 V119 I120 L126 F128	G57-F65 WeakPolarHBondContact O-CD1 3.25Å; G57-F65 PolarHBondContact O-N 2.95Å; M58-F65 VanDerWaalsContact N-CE1 3.28Å; F59-F65 HydrophobicContact CD1-CD1 4.35Å; F59-F65 HydrophobicContact CD2-CB 4.49Å; F59-F65 HydrophobicContact CD2-CD1 4.15Å; F59-F65 HydrophobicContact CE1-CD1 4.13Å; F59-F65 HydrophobicContact CE2-CB 3.75Å; F59-F65 AromaticContact CE2-CD1 3.94Å; F59-F65 HydrophobicContact CE2-CD1 3.94Å; F59-F65 HydrophobicContact CE2-CG 4.25Å; F59-F65 HydrophobicContact CG-CD1 4.35Å; F59-F65 HydrophobicContact CZ-CB 4.06Å; F59-F65 AromaticContact CZ-CD1 3.92Å; F59-F65 HydrophobicContact CZ-CD1 3.92Å; F59-F65 HydrophobicContact CZ-CG 4.23Å; F65-V119 HydrophobicContact CB-CG1 3.93Å; F65-I120 HydrophobicContact CD2-CD1 4.16Å; F65-I120 HydrophobicContact CD2-CG1 4.31Å; F65-I120 HydrophobicContact CE2-CD1 3.99Å; F65-L126 HydrophobicContact CE1-CB 4.44Å; F65-L126 HydrophobicContact CE1-CD2 3.77Å; F65-L126 HydrophobicContact CZ-CB 4.39Å; F65-L126 HydrophobicContact CZ-CD1 4.23Å; F65-L126 HydrophobicContact CZ-CD2 3.99Å; F65-L126 HydrophobicContact CZ-CG 4.44Å; F65-F128 HydrophobicContact CE2-CE1 4.29Å; F65-F128 HydrophobicContact CE2-CZ 4.19Å; F65-F128 AromaticContact CZ-CE1 3.96Å; F65-F128 HydrophobicContact CZ-CE1 3.96Å; F65-F128 HydrophobicContact CZ-CE2 4.36Å; F65-F128 AromaticContact CZ-CZ 3.69Å; F65-F128 HydrophobicContact CZ-CZ 3.69Å
66	D	93.6	Very high	93.6	Very high	49 Å²	49	62.8 Å²	62.8	26%	0.262	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	152.3	175.7	-170	23.2	0	0	0	111.2	Y55 G57 R71	Y55-D66 HydrophobicContact CE2-CB 4.31Å; Y55-D66 PolarHBondContact OH-OD2 3Å; G57-D66 WeakPolarHBondContact CA-O 3.35Å; G57-D66 PolarHBondContact N-O 2.86Å; G57-D66 PolarHBondContact O-N 2.74Å; D66-R71 VanDerWaalsContact CG-NH1 3.31Å; D66-R71 IonicContact OD1-CZ 3.14Å; D66-R71 IonicContact OD1-NH1 2.66Å; D66-R71 PolarHBondContact OD1-NH1 3.14Å; D66-R71 IonicContact OD2-CZ 3.87Å; D66-R71 IonicContact OD2-NH1 2.74Å; D66-R71 PolarHBondContact OD2-NH1 3.45Å; D66-R71 IonicContact OD2-NH2 2.74Å
67	S	95.6	Very high	93.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	135	175.2	175.1	0	0	0	0	112	Y55 N56 Y69 D70	Y55-S67 PolarHBondContact O-OG 2.82Å; N56-S67 VanDerWaalsContact OD1-CB 3.31Å; N56-S67 WeakPolarHBondContact OD1-CB 3.42Å; N56-S67 PolarHBondContact OD1-OG 3.25Å; S67-Y69 PolarHBondContact O-N 2.69Å; S67-Y69 WeakPolarHBondContact OG-CB 3.41Å; S67-Y69 PolarHBondContact OG-N 2.94Å; S67-D70 WeakPolarHBondContact CB-OD2 3.49Å; S67-D70 PolarHBondContact O-N 3.49Å
68	S	95.8	Very high	93.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31	169.4	64.2	0	0	0	0	112.8	H54 Y55 R71 S72 S73	H54-S68 VanDerWaalsContact CA-OG 3.31Å; H54-S68 WeakPolarHBondContact CA-OG 3.32Å; H54-S68 PolarHBondContact ND1-OG 2.92Å; Y55-S68 PolarHBondContact N-OG 3.29Å; Y55-S68 PolarHBondContact O-N 2.86Å; Y55-S68 PolarHBondContact O-OG 2.72Å; S68-R71 PolarHBondContact O-N 2.86Å; S68-S72 PolarHBondContact O-N 2.84Å; S68-S73 CarbonylContact C-O 3.58Å; S68-S73 VanDerWaalsContact CB-O 3.31Å; S68-S73 WeakPolarHBondContact CB-O 3.24Å; S68-S73 PolarHBondContact O-N 3.39Å
69	Y	93.4	Very high	93.4	Very high	84 Å²	84	61.4 Å²	61.4	33%	0.329	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-39.4	179.4	-63.2	-81.8	0	0	0	111.4	H54 N56 S67 R71 S72	H54-Y69 HydrophobicContact CB-CE1 3.98Å; H54-Y69 HydrophobicContact CB-CE2 3.73Å; H54-Y69 VanDerWaalsContact CB-CZ 3.43Å; H54-Y69 WeakPolarHBondContact CB-OH 3.39Å; H54-Y69 AromaticContact CD2-CE1 3.77Å; H54-Y69 AromaticContact CG-CE1 3.68Å; H54-Y69 AromaticContact CG-CZ 3.68Å; N56-Y69 WeakPolarHBondContact OD1-CD2 3.3Å; S67-Y69 PolarHBondContact O-N 2.69Å; S67-Y69 WeakPolarHBondContact OG-CB 3.41Å; S67-Y69 PolarHBondContact OG-N 2.94Å; Y69-R71 PolarHBondContact O-N 3.29Å; Y69-S72 PolarHBondContact O-N 3.38Å
70	D	93.4	Very high	93.3	Very high	101 Å²	101	61.8 Å²	61.8	54%	0.54	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.7	177.2	-64.3	-16.3	0	0	0	111.8	K64 S67 S72	K64-D70 WeakPolarHBondContact CE-OD2 3.27Å; K64-D70 IonicContact NZ-OD1 3.75Å; K64-D70 PolarHBondContact NZ-OD1 2.85Å; K64-D70 IonicContact NZ-OD2 2.82Å; K64-D70 PolarHBondContact NZ-OD2 3.11Å; S67-D70 WeakPolarHBondContact CB-OD2 3.49Å; S67-D70 PolarHBondContact O-N 3.49Å; D70-S72 VanDerWaalsContact C-N 3.34Å
71	R	91	Very high	93.2	Very high	111 Å²	111	63.5 Å²	63.5	42%	0.419	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.5	176.3	-59.1	-169.8	-62.5	-121.3	1.1	113.4	Y55 D66 S68 Y69 S73	Y55-R71 PolarHBondContact OH-NH1 3.06Å; Y55-R71 PolarHBondContact OH-NH2 3.05Å; D66-R71 VanDerWaalsContact CG-NH1 3.31Å; D66-R71 IonicContact OD1-CZ 3.14Å; D66-R71 IonicContact OD1-NH1 2.66Å; D66-R71 PolarHBondContact OD1-NH1 3.14Å; D66-R71 IonicContact OD2-CZ 3.87Å; D66-R71 IonicContact OD2-NH1 2.74Å; D66-R71 PolarHBondContact OD2-NH1 3.45Å; D66-R71 IonicContact OD2-NH2 2.74Å; S68-R71 PolarHBondContact O-N 2.86Å; Y69-R71 PolarHBondContact O-N 3.29Å; R71-S73 WeakPolarHBondContact CB-OG 2.93Å; R71-S73 PolarHBondContact O-N 3.32Å; R71-S73 PolarHBondContact O-OG 2.95Å
72	S	86.5	Confident	93.1	Very high	115 Å²	115	66.6 Å²	66.6	80%	0.804	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	34.3	-174.5	-59	0	0	0	0	112.9	S68 Y69 D70	S68-S72 PolarHBondContact O-N 2.84Å; Y69-S72 PolarHBondContact O-N 3.38Å; D70-S72 VanDerWaalsContact C-N 3.34Å
73	S	89	Confident	93.1	Very high	54 Å²	54	69.4 Å²	69.4	38%	0.378	34%	0.34	S	S	.	.			trans	-145.5	143.8	-175.8	47	0	0	0	0	110.1	S68 R71	S68-S73 CarbonylContact C-O 3.58Å; S68-S73 VanDerWaalsContact CB-O 3.31Å; S68-S73 WeakPolarHBondContact CB-O 3.24Å; S68-S73 PolarHBondContact O-N 3.39Å; R71-S73 WeakPolarHBondContact CB-OG 2.93Å; R71-S73 PolarHBondContact O-N 3.32Å; R71-S73 PolarHBondContact O-OG 2.95Å
74	T	92.3	Very high	93	Very high	34 Å²	34	64.1 Å²	64.1	21%	0.209	32%	0.319	C	S	.	.			trans	-79.2	158.5	177.4	45.7	0	0	0	0	110.9	R52 N76 L133	R52-T74 WeakPolarHBondContact CD-OG1 3.16Å; R52-T74 HydrophobicContact CG-CG2 3.85Å; T74-N76 PolarHBondContact OG1-OD1 3.23Å; T74-N76 VanDerWaalsContact OG1-OD1 3.11Å; T74-L133 HydrophobicContact CG2-CD1 3.5Å; T74-L133 VanDerWaalsContact CG2-CD1 3.5Å
75	Y	94	Very high	92.9	Very high	76 Å²	76	60.8 Å²	60.8	30%	0.298	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.1	168.9	-159.2	-85.9	0	0	0	109.3	R52 Y53 Y55 V77 L84	R52-Y75 WeakPolarHBondContact CA-O 3.13Å; Y53-Y75 AromaticContact CE1-CD1 3.82Å; Y53-Y75 HydrophobicContact CE1-CD1 3.82Å; Y53-Y75 HydrophobicContact CE1-CG 4.44Å; Y53-Y75 AromaticContact CZ-CD1 3.69Å; Y53-Y75 PolarHBondContact N-O 3.01Å; Y53-Y75 PolarHBondContact O-N 3.34Å; Y53-Y75 VanDerWaalsContact OH-CD1 3.31Å; Y53-Y75 WeakPolarHBondContact OH-CD1 3.37Å; Y55-Y75 HydrophobicContact CE1-CD2 4.07Å; Y55-Y75 HydrophobicContact CE1-CG 4.22Å; Y75-V77 HydrophobicContact CD1-CB 4.24Å; Y75-V77 HydrophobicContact CD1-CG1 4.12Å; Y75-V77 HydrophobicContact CE1-CB 3.87Å; Y75-V77 HydrophobicContact CE1-CG1 4.03Å; Y75-V77 HydrophobicContact CE1-CG2 4.35Å; Y75-L84 HydrophobicContact CD1-CD2 4.12Å; Y75-L84 HydrophobicContact CE1-CD2 3.32Å
76	N	94.1	Very high	92.9	Very high	54 Å²	54	63.6 Å²	63.6	29%	0.289	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.3	-172.6	-45.9	-37.2	0	0	0	110.6	Y50 V51 R52 T74	Y50-N76 HydrophobicContact CE1-CB 3.91Å; Y50-N76 HydrophobicContact CE2-CB 4.48Å; Y50-N76 WeakPolarHBondContact OH-CB 3.48Å; V51-N76 VanDerWaalsContact O-CA 3.31Å; V51-N76 WeakPolarHBondContact O-CA 3.35Å; R52-N76 WeakPolarHBondContact CB-OD1 3.46Å; R52-N76 WeakPolarHBondContact CG-OD1 3.29Å; T74-N76 PolarHBondContact OG1-OD1 3.23Å; T74-N76 VanDerWaalsContact OG1-OD1 3.11Å
77	V	95.3	Very high	92.9	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	158.4	-169.5	69.4	0	0	0	0	112.1	Y50 V51 Y53 Y75 Q83 L84	Y50-V77 WeakPolarHBondContact CA-O 3.37Å; V51-V77 HydrophobicContact CG2-CG1 3.96Å; V51-V77 PolarHBondContact N-O 2.92Å; V51-V77 PolarHBondContact O-N 3.45Å; V51-V77 VanDerWaalsContact O-N 3.13Å; Y53-V77 HydrophobicContact CE1-CG1 4.1Å; Y75-V77 HydrophobicContact CD1-CB 4.24Å; Y75-V77 HydrophobicContact CD1-CG1 4.12Å; Y75-V77 HydrophobicContact CE1-CB 3.87Å; Y75-V77 HydrophobicContact CE1-CG1 4.03Å; Y75-V77 HydrophobicContact CE1-CG2 4.35Å; V77-Q83 HydrophobicContact CG2-CB 3.5Å; V77-Q83 HydrophobicContact CG2-CG 4.34Å; V77-Q83 VanDerWaalsContact CG2-OE1 3.26Å; V77-L84 HydrophobicContact CG1-CD1 3.78Å; V77-L84 HydrophobicContact CG1-CD2 4.2Å; V77-L84 HydrophobicContact CG1-CG 4.04Å; V77-L84 HydrophobicContact CG2-CD2 4.42Å; V77-L84 HydrophobicContact CG2-CG 4.16Å
78	Y	95.9	Very high	92.9	Very high	53 Å²	53	61.5 Å²	61.5	21%	0.208	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.9	168.3	-73	-82.7	0	0	0	110.8	G48 D49 Y50 G80 K81 P138	G48-Y78 WeakPolarHBondContact O-CD1 3.48Å; D49-Y78 CarbonylContact O-C 3.56Å; D49-Y78 WeakPolarHBondContact O-CA 2.88Å; Y50-Y78 HydrophobicContact CD2-CD1 4.19Å; Y50-Y78 AromaticContact CD2-CD2 3.9Å; Y50-Y78 HydrophobicContact CD2-CD2 3.9Å; Y50-Y78 AromaticContact CD2-CE1 3.99Å; Y50-Y78 HydrophobicContact CD2-CE1 3.99Å; Y50-Y78 AromaticContact CD2-CE2 3.67Å; Y50-Y78 HydrophobicContact CD2-CE2 3.67Å; Y50-Y78 HydrophobicContact CD2-CG 4.15Å; Y50-Y78 AromaticContact CD2-CZ 3.71Å; Y50-Y78 HydrophobicContact CE2-CD2 4.45Å; Y50-Y78 HydrophobicContact CE2-CE2 4.15Å; Y50-Y78 HydrophobicContact CG-CE1 4.45Å; Y78-G80 PolarHBondContact O-N 2.85Å; Y78-K81 HydrophobicContact CD2-CD 4.38Å; Y78-K81 HydrophobicContact CG-CD 3.95Å; Y78-P138 HydrophobicContact CE1-CG 4.09Å
79	V	96.1	Very high	92.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	130.4	-178.9	179.1	0	0	0	0	110.8	V45 G48 D49 V51 K81 L92 V93	V45-V79 HydrophobicContact CG1-CB 4.19Å; V45-V79 HydrophobicContact CG1-CG1 4.18Å; V45-V79 HydrophobicContact CG1-CG2 3.79Å; G48-V79 PolarHBondContact N-O 2.86Å; D49-V79 PolarHBondContact O-N 3.3Å; V51-V79 HydrophobicContact CB-CG2 4.3Å; V51-V79 HydrophobicContact CG1-CG2 3.72Å; V51-V79 HydrophobicContact CG2-CG2 3.56Å; V79-K81 VanDerWaalsContact C-N 3.34Å; V79-L92 HydrophobicContact CG1-CB 4.36Å; V79-L92 HydrophobicContact CG2-CB 4.12Å; V79-L92 HydrophobicContact CG2-CD1 4.15Å; V79-V93 HydrophobicContact CG1-CG2 3.72Å
80	G	91.8	Very high	92.9	Very high	35 Å²	35	63.7 Å²	63.7	36%	0.361	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	12.3	176	0	0	0	0	0	114.7	Y78 K82 D89	Y78-G80 PolarHBondContact O-N 2.85Å; G80-K82 VanDerWaalsContact C-N 3.32Å; G80-D89 WeakPolarHBondContact CA-OD2 3.06Å; G80-D89 PolarHBondContact N-OD1 3.19Å
81	K	92.1	Very high	93.1	Very high	115 Å²	115	58.9 Å²	58.9	50%	0.5	29%	0.291	S	S	.	.	S	Bend	trans	-90.7	12	169.8	-67.2	-164.3	-173.1	164.9	0	113.3	Y78 V79 Q83	Y78-K81 HydrophobicContact CD2-CD 4.38Å; Y78-K81 HydrophobicContact CG-CD 3.95Å; V79-K81 VanDerWaalsContact C-N 3.34Å; K81-Q83 HydrophobicContact CB-CG 4.14Å; K81-Q83 PolarHBondContact O-N 2.92Å
82	K	89.5	Confident	93.3	Very high	190 Å²	190	53.7 Å²	53.7	83%	0.826	27%	0.271	S	S	*	.	S	Bend	trans	58	34.1	-178.3	-55.1	-175.9	176.8	-174	0	113.2	G80 D89	G80-K82 VanDerWaalsContact C-N 3.32Å; K82-D89 WeakPolarHBondContact CA-OD2 3.06Å; K82-D89 PolarHBondContact N-OD2 2.93Å
83	Q	90.4	Very high	93.8	Very high	107 Å²	107	51 Å²	51	50%	0.5	25%	0.25	S	S	.	.			trans	-92.2	-15.6	175	-64.4	-176.6	-51.6	0	0	112	V77 K81	V77-Q83 HydrophobicContact CG2-CB 3.5Å; V77-Q83 HydrophobicContact CG2-CG 4.34Å; V77-Q83 VanDerWaalsContact CG2-OE1 3.26Å; K81-Q83 HydrophobicContact CB-CG 4.14Å; K81-Q83 PolarHBondContact O-N 2.92Å
84	L	92.6	Very high	94.2	Very high	26 Å²	26	49.9 Å²	49.9	14%	0.136	25%	0.247	C	C	.	.	S	Bend	trans	-109.1	167.4	175.3	-65.1	177.2	0	0	0	110.4	Y75 V77 M88 D89 L92	Y75-L84 HydrophobicContact CD1-CD2 4.12Å; Y75-L84 HydrophobicContact CE1-CD2 3.32Å; V77-L84 HydrophobicContact CG1-CD1 3.78Å; V77-L84 HydrophobicContact CG1-CD2 4.2Å; V77-L84 HydrophobicContact CG1-CG 4.04Å; V77-L84 HydrophobicContact CG2-CD2 4.42Å; V77-L84 HydrophobicContact CG2-CG 4.16Å; L84-M88 HydrophobicContact CB-CB 4.34Å; L84-M88 HydrophobicContact CD1-CB 4.35Å; L84-M88 HydrophobicContact CD1-CG 3.91Å; L84-D89 HydrophobicContact CB-CB 4.44Å; L84-L92 HydrophobicContact CD1-CD1 3.47Å; L84-L92 VanDerWaalsContact CD1-CD1 3.47Å
85	I	94	Very high	94.4	Very high	29 Å²	29	48.3 Å²	48.3	15%	0.149	24%	0.237	C	C	.	.			trans	-57.1	142.3	160.8	60.7	175	0	0	0	109.6	G87 M88 D89 I105 A110 Y111 L126 F128	I85-G87 VanDerWaalsContact C-N 3.26Å; I85-G87 PolarHBondContact O-N 2.86Å; I85-M88 HydrophobicContact CD1-CB 4.28Å; I85-M88 HydrophobicContact CG1-CB 3.61Å; I85-M88 PolarHBondContact O-N 2.82Å; I85-D89 PolarHBondContact O-N 3.34Å; I85-I105 HydrophobicContact CD1-CD1 3.71Å; I85-I105 HydrophobicContact CD1-CG2 4.5Å; I85-I105 HydrophobicContact CG1-CD1 4.4Å; I85-A110 HydrophobicContact CD1-CB 4.2Å; I85-Y111 HydrophobicContact CG2-CD1 4.49Å; I85-Y111 HydrophobicContact CG2-CE1 4.04Å; I85-Y111 HydrophobicContact CG2-CE2 4.04Å; I85-L126 HydrophobicContact CD1-CD1 4.26Å; I85-F128 HydrophobicContact CD1-CE2 3.85Å; I85-F128 HydrophobicContact CD1-CZ 4.21Å
86	E	94.1	Very high	94.6	Very high	95 Å²	95	45.2 Å²	45.2	44%	0.444	23%	0.227	S	C	.	.	H	α-helix	trans	-56.6	-40.1	-170.8	-177.8	171.5	-178.4	0	0	112.7	M88 D89 R90 L109	E86-M88 VanDerWaalsContact C-N 3.29Å; E86-M88 PolarHBondContact O-N 3.16Å; E86-D89 PolarHBondContact O-N 3.31Å; E86-R90 WeakPolarHBondContact O-CG 2.94Å; E86-R90 PolarHBondContact O-N 3.39Å; E86-R90 IonicContact OE1-CZ 3.47Å; E86-R90 IonicContact OE1-NE 3.31Å; E86-R90 PolarHBondContact OE1-NE 2.85Å; E86-R90 IonicContact OE1-NH2 3.56Å; E86-R90 PolarHBondContact OE1-NH2 2.89Å; E86-L109 HydrophobicContact CB-CD2 4.39Å; E86-L109 HydrophobicContact CG-CD2 4.04Å; E86-L109 PolarHBondContact N-O 3.01Å
87	G	94.4	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-34.8	177.7	0	0	0	0	0	113.2	I85 A91 L109	I85-G87 VanDerWaalsContact C-N 3.26Å; I85-G87 PolarHBondContact O-N 2.86Å; G87-A91 WeakPolarHBondContact O-CB 3.17Å; G87-A91 PolarHBondContact O-N 3.5Å; G87-L109 PolarHBondContact N-O 3.36Å
88	M	96.1	Very high	94.7	Very high	6 Å²	6	46 Å²	46	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-77.4	-40	178.7	-171	64.2	-173.1	0	0	111.3	Y53 L84 I85 E86 R90 A91 L92 I105 V130	Y53-M88 HydrophobicContact CD2-CE 4.08Å; Y53-M88 HydrophobicContact CE1-CE 4.47Å; Y53-M88 HydrophobicContact CE2-CE 3.39Å; L84-M88 HydrophobicContact CB-CB 4.34Å; L84-M88 HydrophobicContact CD1-CB 4.35Å; L84-M88 HydrophobicContact CD1-CG 3.91Å; I85-M88 HydrophobicContact CD1-CB 4.28Å; I85-M88 HydrophobicContact CG1-CB 3.61Å; I85-M88 PolarHBondContact O-N 2.82Å; E86-M88 VanDerWaalsContact C-N 3.29Å; E86-M88 PolarHBondContact O-N 3.16Å; M88-R90 VanDerWaalsContact C-N 3.26Å; M88-R90 PolarHBondContact O-N 2.97Å; M88-A91 PolarHBondContact O-N 3.35Å; M88-A91 VanDerWaalsContact O-N 3.12Å; M88-L92 HydrophobicContact CE-CD1 4.01Å; M88-L92 HydrophobicContact CE-CD2 3.63Å; M88-L92 HydrophobicContact CE-CG 3.76Å; M88-L92 HydrophobicContact CG-CD1 4.29Å; M88-L92 WeakPolarHBondContact O-CG 3.43Å; M88-L92 PolarHBondContact O-N 3.4Å; M88-I105 HydrophobicContact CB-CD1 4.16Å; M88-V130 HydrophobicContact CE-CB 4.25Å; M88-V130 HydrophobicContact CE-CG1 3.7Å; M88-V130 HydrophobicContact CE-CG2 3.46Å; M88-V130 VanDerWaalsContact CE-CG2 3.46Å; M88-V130 HydrophobicContact SD-CG2 4.08Å
89	D	94.6	Very high	94.8	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.08	22%	0.222	C	C	.	.	H	α-helix	trans	-55.5	-43.9	172.7	-111.6	-3.6	0	0	0	110.6	G80 K82 L84 I85 E86	G80-D89 WeakPolarHBondContact CA-OD2 3.06Å; G80-D89 PolarHBondContact N-OD1 3.19Å; K82-D89 WeakPolarHBondContact CA-OD2 3.06Å; K82-D89 PolarHBondContact N-OD2 2.93Å; L84-D89 HydrophobicContact CB-CB 4.44Å; I85-D89 PolarHBondContact O-N 3.34Å; E86-D89 PolarHBondContact O-N 3.31Å
90	R	95	Very high	94.9	Very high	114 Å²	114	47.7 Å²	47.7	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-68.4	-39.9	174.9	-68.7	176.3	-175.5	-156.9	3.7	112.6	D29 I30 E86 M88 L92 V93	D29-R90 IonicContact OD1-NH1 3.81Å; I30-R90 HydrophobicContact CD1-CB 3.73Å; E86-R90 WeakPolarHBondContact O-CG 2.94Å; E86-R90 PolarHBondContact O-N 3.39Å; E86-R90 IonicContact OE1-CZ 3.47Å; E86-R90 IonicContact OE1-NE 3.31Å; E86-R90 PolarHBondContact OE1-NE 2.85Å; E86-R90 IonicContact OE1-NH2 3.56Å; E86-R90 PolarHBondContact OE1-NH2 2.89Å; M88-R90 VanDerWaalsContact C-N 3.26Å; M88-R90 PolarHBondContact O-N 2.97Å; R90-L92 VanDerWaalsContact C-N 3.35Å; R90-L92 PolarHBondContact O-N 2.83Å; R90-V93 PolarHBondContact O-N 2.02Å
91	A	95.6	Very high	95.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-71.3	-25.8	-174.9	0	0	0	0	0	114.4	I30 I32 G87 M88 R101 V103	I30-A91 HydrophobicContact CD1-CB 3.95Å; I32-A91 HydrophobicContact CD1-CB 4.33Å; I32-A91 HydrophobicContact CG1-CB 4.47Å; G87-A91 WeakPolarHBondContact O-CB 3.17Å; G87-A91 PolarHBondContact O-N 3.5Å; M88-A91 PolarHBondContact O-N 3.35Å; M88-A91 VanDerWaalsContact O-N 3.12Å; A91-R101 PolarHBondContact O-NH1 2.75Å; A91-V103 HydrophobicContact CB-CB 4.23Å; A91-V103 HydrophobicContact CB-CG1 3.42Å; A91-V103 VanDerWaalsContact CB-CG1 3.42Å; A91-V103 HydrophobicContact CB-CG2 3.77Å
92	L	97.1	Very high	95.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-76.4	-26.7	177	-71.6	168.3	0	0	0	112.6	V45 V51 Y53 V79 L84 M88 R90 G94 M95 V130	V45-L92 VanDerWaalsContact CB-O 3.3Å; V45-L92 WeakPolarHBondContact CB-O 3.5Å; V45-L92 WeakPolarHBondContact CG1-O 3.31Å; V51-L92 HydrophobicContact CG2-CD1 4.17Å; Y53-L92 HydrophobicContact CD1-CD1 4.37Å; Y53-L92 HydrophobicContact CD1-CD2 4.15Å; Y53-L92 HydrophobicContact CE1-CD1 3.78Å; Y53-L92 HydrophobicContact CE1-CD2 4.26Å; Y53-L92 HydrophobicContact CG-CD2 4.36Å; V79-L92 HydrophobicContact CG1-CB 4.36Å; V79-L92 HydrophobicContact CG2-CB 4.12Å; V79-L92 HydrophobicContact CG2-CD1 4.15Å; L84-L92 HydrophobicContact CD1-CD1 3.47Å; L84-L92 VanDerWaalsContact CD1-CD1 3.47Å; M88-L92 HydrophobicContact CE-CD1 4.01Å; M88-L92 HydrophobicContact CE-CD2 3.63Å; M88-L92 HydrophobicContact CE-CG 3.76Å; M88-L92 HydrophobicContact CG-CD1 4.29Å; M88-L92 WeakPolarHBondContact O-CG 3.43Å; M88-L92 PolarHBondContact O-N 3.4Å; R90-L92 VanDerWaalsContact C-N 3.35Å; R90-L92 PolarHBondContact O-N 2.83Å; L92-G94 PolarHBondContact O-N 3.37Å; L92-M95 HydrophobicContact CD2-SD 4.23Å; L92-M95 WeakPolarHBondContact O-CB 3.43Å; L92-M95 PolarHBondContact O-N 3.08Å; L92-M95 VanDerWaalsContact O-N 3.12Å; L92-V130 HydrophobicContact CD2-CG1 4.03Å
93	V	96.9	Very high	95.7	Very high	59 Å²	59	33.7 Å²	33.7	36%	0.358	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	135.4	-179.9	177.9	0	0	0	0	110.5	V47 V79 R90 M95 R101	V47-V93 HydrophobicContact CG2-CG2 4.22Å; V79-V93 HydrophobicContact CG1-CG2 3.72Å; R90-V93 PolarHBondContact O-N 2.02Å; V93-M95 PolarHBondContact O-N 3.36Å; V93-R101 PolarHBondContact O-NH1 3.15Å
94	G	96.3	Very high	96	Very high	30 Å²	30	31.3 Å²	31.3	31%	0.309	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	10.2	-178.5	0	0	0	0	0	114.5	V45 L92 R101	V45-G94 PolarHBondContact O-N 2.91Å; L92-G94 PolarHBondContact O-N 3.37Å; G94-R101 VanDerWaalsContact C-NH2 3.25Å; G94-R101 PolarHBondContact O-NH2 3.34Å
95	M	97.2	Very high	96.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-79.3	142.8	173.6	-163.5	168.7	177.1	0	0	110.8	A44 V45 L92 V93 E99 R101 V130 L132	A44-M95 WeakPolarHBondContact CA-O 3.09Å; V45-M95 HydrophobicContact CG2-CB 4.39Å; V45-M95 WeakPolarHBondContact CG2-O 3.37Å; V45-M95 PolarHBondContact N-O 3.45Å; L92-M95 HydrophobicContact CD2-SD 4.23Å; L92-M95 WeakPolarHBondContact O-CB 3.43Å; L92-M95 PolarHBondContact O-N 3.08Å; L92-M95 VanDerWaalsContact O-N 3.12Å; V93-M95 PolarHBondContact O-N 3.36Å; M95-E99 WeakPolarHBondContact CA-OE2 3.32Å; M95-E99 HydrophobicContact CE-CB 4.09Å; M95-E99 HydrophobicContact CE-CG 4.47Å; M95-E99 WeakPolarHBondContact CE-O 3.47Å; M95-E99 HydrophobicContact CG-CB 3.9Å; M95-E99 HydrophobicContact CG-CG 4.2Å; M95-R101 VanDerWaalsContact CA-NH2 3.26Å; M95-R101 HydrophobicContact CE-CB 4.41Å; M95-R101 HydrophobicContact CE-CG 4.12Å; M95-R101 HydrophobicContact SD-CG 4.19Å; M95-V130 HydrophobicContact CE-CB 4.4Å; M95-V130 HydrophobicContact CE-CG1 4.05Å; M95-V130 WeakPolarHBondContact CE-O 3.27Å; M95-V130 HydrophobicContact SD-CG1 4.13Å; M95-L132 HydrophobicContact CB-CD2 4.02Å; M95-L132 HydrophobicContact CE-CB 3.66Å; M95-L132 HydrophobicContact CG-CB 3.99Å; M95-L132 HydrophobicContact CG-CD2 3.98Å; M95-L132 HydrophobicContact SD-CB 3.89Å
96	C	96.8	Very high	96.2	Very high	12 Å²	12	28.7 Å²	28.7	8%	0.081	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-102.7	151.5	177	-56.4	0	0	0	0	110.7	P38 C41 N98 E99	P38-C96 HydrophobicContact CG-CB 3.89Å; C41-C96 HydrophobicContact CB-CB 3.73Å; C41-C96 WeakPolarHBondContact CB-SG 3.45Å; C41-C96 WeakPolarHBondContact SG-CB 3.42Å; C41-C96 CovalentContact SG-SG 2.02Å; C41-C96 PolarHBondContact SG-SG 2.64Å; C96-N98 PolarHBondContact O-N 2.8Å; C96-E99 HydrophobicContact CB-CB 4.3Å; C96-E99 PolarHBondContact N-OE2 2.86Å; C96-E99 WeakPolarHBondContact O-CB 3.33Å; C96-E99 PolarHBondContact O-N 3.49Å
97	V	96.9	Very high	96.2	Very high	20 Å²	20	24.9 Å²	24.9	12%	0.121	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	139.7	174.1	176.1	0	0	0	0	109.5	P38 E99 L133 V135 L172 D173	P38-V97 WeakPolarHBondContact CG-O 3Å; V97-E99 PolarHBondContact O-N 2.85Å; V97-L133 WeakPolarHBondContact CG1-O 3.38Å; V97-V135 HydrophobicContact CG2-CG1 3.61Å; V97-L172 HydrophobicContact CG1-CG 4.33Å; V97-L172 HydrophobicContact CG2-CD2 3.74Å; V97-L172 HydrophobicContact CG2-CG 4.06Å; V97-D173 HydrophobicContact CG1-CB 4.1Å
98	N	96.2	Very high	96.2	Very high	58 Å²	58	29.2 Å²	29.2	31%	0.31	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	-2.9	-169.2	-67.6	-40	0	0	0	116.2	F36 P38 C96 L132 D173	F36-N98 WeakPolarHBondContact CD1-O 3.39Å; F36-N98 VanDerWaalsContact CE1-O 3.26Å; F36-N98 WeakPolarHBondContact CE1-O 3.39Å; P38-N98 HydrophobicContact CB-CB 4.48Å; C96-N98 PolarHBondContact O-N 2.8Å; N98-L132 WeakPolarHBondContact CA-O 3.23Å; N98-L132 PolarHBondContact N-O 2.87Å; N98-D173 PolarHBondContact ND2-O 3.29Å; N98-D173 WeakPolarHBondContact OD1-CB 3.41Å
99	E	97.4	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.			trans	-65.1	146.1	170.9	-167.7	177.7	155.5	0	0	110.4	K34 F36 V37 M95 C96 V97 R101 L132	K34-E99 VanDerWaalsContact CD-OE1 3.31Å; K34-E99 WeakPolarHBondContact CD-OE1 3.41Å; K34-E99 VanDerWaalsContact CE-OE1 3.28Å; K34-E99 WeakPolarHBondContact CE-OE1 3.13Å; K34-E99 IonicContact NZ-OE1 2.68Å; F36-E99 WeakPolarHBondContact O-CA 3.44Å; F36-E99 WeakPolarHBondContact O-CG 3.35Å; V37-E99 HydrophobicContact CG2-CG 4.4Å; M95-E99 WeakPolarHBondContact CA-OE2 3.32Å; M95-E99 HydrophobicContact CE-CB 4.09Å; M95-E99 HydrophobicContact CE-CG 4.47Å; M95-E99 WeakPolarHBondContact CE-O 3.47Å; M95-E99 HydrophobicContact CG-CB 3.9Å; M95-E99 HydrophobicContact CG-CG 4.2Å; C96-E99 HydrophobicContact CB-CB 4.3Å; C96-E99 PolarHBondContact N-OE2 2.86Å; C96-E99 WeakPolarHBondContact O-CB 3.33Å; C96-E99 PolarHBondContact O-N 3.49Å; V97-E99 PolarHBondContact O-N 2.85Å; E99-R101 HydrophobicContact CG-CG 4.49Å; E99-R101 IonicContact OE1-CZ 3.6Å; E99-R101 VanDerWaalsContact OE1-CZ 3.23Å; E99-R101 IonicContact OE1-NE 3.81Å; E99-R101 PolarHBondContact OE1-NE 2.88Å; E99-R101 IonicContact OE1-NH2 2.74Å; E99-R101 PolarHBondContact OE1-NH2 3.48Å; E99-R101 IonicContact OE2-NH2 3.43Å; E99-R101 PolarHBondContact OE2-NH2 3.33Å; E99-L132 PolarHBondContact O-N 3.46Å
100	R	97.8	Very high	96	Very high	87 Å²	87	29.7 Å²	29.7	33%	0.328	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136	167.5	-64.6	-179.1	171.6	-103.7	3.8	111.2	T35 F36 D129 V130 L131	T35-R100 PolarHBondContact N-O 3.08Å; T35-R100 VanDerWaalsContact OG1-CB 3.22Å; T35-R100 WeakPolarHBondContact OG1-CB 3.21Å; T35-R100 PolarHBondContact OG1-O 3.05Å; F36-R100 HydrophobicContact CB-CB 4.02Å; F36-R100 HydrophobicContact CB-CG 4.34Å; F36-R100 PolarHBondContact N-O 3.27Å; F36-R100 PolarHBondContact O-N 3.25Å; R100-D129 IonicContact NH1-OD2 3.15Å; R100-V130 CarbonylContact C-O 3.57Å; R100-V130 WeakPolarHBondContact CA-O 3.15Å; R100-L131 HydrophobicContact CG-CB 4.18Å; R100-L131 HydrophobicContact CG-CD1 3.64Å; R100-L131 HydrophobicContact CG-CG 4.49Å
101	R	97.7	Very high	96	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.5	178.4	-69.8	-178.6	176.3	-179	2.2	110.2	I32 E33 A91 V93 G94 M95 E99 V103 D129 V130	I32-R101 HydrophobicContact CG2-CB 4.4Å; I32-R101 HydrophobicContact CG2-CG 4.06Å; E33-R101 CarbonylContact O-C 3.39Å; E33-R101 WeakPolarHBondContact O-CA 3.46Å; A91-R101 PolarHBondContact O-NH1 2.75Å; V93-R101 PolarHBondContact O-NH1 3.15Å; G94-R101 VanDerWaalsContact C-NH2 3.25Å; G94-R101 PolarHBondContact O-NH2 3.34Å; M95-R101 VanDerWaalsContact CA-NH2 3.26Å; M95-R101 HydrophobicContact CE-CB 4.41Å; M95-R101 HydrophobicContact CE-CG 4.12Å; M95-R101 HydrophobicContact SD-CG 4.19Å; E99-R101 HydrophobicContact CG-CG 4.49Å; E99-R101 IonicContact OE1-CZ 3.6Å; E99-R101 VanDerWaalsContact OE1-CZ 3.23Å; E99-R101 IonicContact OE1-NE 3.81Å; E99-R101 PolarHBondContact OE1-NE 2.88Å; E99-R101 IonicContact OE1-NH2 2.74Å; E99-R101 PolarHBondContact OE1-NH2 3.48Å; E99-R101 IonicContact OE2-NH2 3.43Å; E99-R101 PolarHBondContact OE2-NH2 3.33Å; R101-V103 HydrophobicContact CB-CG2 3.88Å; R101-D129 CarbonylContact O-C 3.6Å; R101-D129 WeakPolarHBondContact O-CA 3.38Å; R101-V130 PolarHBondContact N-O 3.45Å; R101-V130 PolarHBondContact O-N 3.4Å
102	L	97.1	Very high	95.8	Very high	39 Å²	39	29 Å²	29	20%	0.204	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.1	158.5	-178.3	67.1	0	0	0	108.1	E33 T35 F128 D129	E33-L102 HydrophobicContact CB-CB 4.28Å; E33-L102 PolarHBondContact N-O 2.6Å; E33-L102 PolarHBondContact O-N 3.14Å; T35-L102 HydrophobicContact CG2-CB 3.85Å; L102-F128 CarbonylContact C-O 3.57Å; L102-F128 WeakPolarHBondContact CA-O 3.49Å; L102-D129 HydrophobicContact CD1-CB 4.49Å
103	V	96.4	Very high	95.6	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.6	-175.6	-173.4	0	0	0	0	108.7	V31 A91 R101 I105 H127 F128 V130	V31-V103 CarbonylContact O-C 3.46Å; V31-V103 WeakPolarHBondContact O-CA 3.45Å; A91-V103 HydrophobicContact CB-CB 4.23Å; A91-V103 HydrophobicContact CB-CG1 3.42Å; A91-V103 VanDerWaalsContact CB-CG1 3.42Å; A91-V103 HydrophobicContact CB-CG2 3.77Å; R101-V103 HydrophobicContact CB-CG2 3.88Å; V103-I105 HydrophobicContact CG1-CD1 4.1Å; V103-I105 HydrophobicContact CG1-CG1 3.69Å; V103-H127 CarbonylContact O-C 3.53Å; V103-H127 VanDerWaalsContact O-CA 3.32Å; V103-H127 WeakPolarHBondContact O-CA 3.28Å; V103-F128 HydrophobicContact CB-CB 4.38Å; V103-F128 PolarHBondContact N-O 2.67Å; V103-F128 PolarHBondContact O-N 2.8Å; V103-V130 HydrophobicContact CG2-CG2 4.23Å
104	K	96.1	Very high	95.4	Very high	56 Å²	56	43.1 Å²	43.1	24%	0.243	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.2	172.5	-47.8	-179.1	177.5	167.7	0	108.7	V25 I30 V31 L126	V25-K104 HydrophobicContact CG2-CD 4.15Å; I30-K104 WeakPolarHBondContact CA-O 3.47Å; V31-K104 HydrophobicContact CB-CB 4.15Å; V31-K104 HydrophobicContact CB-CG 4.48Å; V31-K104 PolarHBondContact N-O 3.27Å; V31-K104 PolarHBondContact O-N 3.39Å; K104-L126 CarbonylContact C-O 3.58Å; K104-L126 WeakPolarHBondContact CA-O 3.35Å
105	I	96.1	Very high	95.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.5	-173.6	-54.9	179.3	0	0	0	108.6	I30 I85 M88 V103 L109 A110 L126 F128	I30-I105 HydrophobicContact CG2-CG1 4.18Å; I30-I105 HydrophobicContact CG2-CG2 4.31Å; I85-I105 HydrophobicContact CD1-CD1 3.71Å; I85-I105 HydrophobicContact CD1-CG2 4.5Å; I85-I105 HydrophobicContact CG1-CD1 4.4Å; M88-I105 HydrophobicContact CB-CD1 4.16Å; V103-I105 HydrophobicContact CG1-CD1 4.1Å; V103-I105 HydrophobicContact CG1-CG1 3.69Å; I105-L109 HydrophobicContact CG2-CB 3.86Å; I105-A110 HydrophobicContact CG2-CB 3.89Å; I105-L126 PolarHBondContact N-O 3.24Å; I105-L126 PolarHBondContact O-N 2.9Å; I105-F128 HydrophobicContact CD1-CD2 3.68Å; I105-F128 HydrophobicContact CD1-CE2 3.87Å; I105-F128 HydrophobicContact CG1-CD2 4.35Å
106	P	95.3	Very high	94.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	23%	0.232	C	C	.	.			trans	-72.3	159.4	175.7	33.5	-38.1	0	0	0	111.2	Q108 L109 A110	P106-Q108 VanDerWaalsContact C-N 3.3Å; P106-Q108 PolarHBondContact O-N 3.4Å; P106-Q108 VanDerWaalsContact O-N 3.17Å; P106-L109 HydrophobicContact CG-CB 4.44Å; P106-L109 HydrophobicContact CG-CD1 4.12Å; P106-L109 HydrophobicContact CG-CG 4.31Å; P106-L109 PolarHBondContact O-N 2.98Å; P106-A110 PolarHBondContact O-N 2.99Å
107	P	94.1	Very high	94.7	Very high	14 Å²	14	51.7 Å²	51.7	9%	0.091	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.8	-36.2	-166.8	-22.4	32.2	0	0	0	114.1	L109 A110 Y111 G112 D123 I125	P107-L109 PolarHBondContact O-N 3.16Å; P107-A110 CarbonylContact O-C 3.51Å; P107-A110 WeakPolarHBondContact O-CA 3.33Å; P107-A110 PolarHBondContact O-N 3.39Å; P107-Y111 PolarHBondContact O-N 2.93Å; P107-G112 VanDerWaalsContact O-CA 3.26Å; P107-G112 WeakPolarHBondContact O-CA 3.42Å; P107-G112 PolarHBondContact O-N 2.96Å; P107-D123 HydrophobicContact CB-CB 4.49Å; P107-D123 HydrophobicContact CG-CB 4.38Å; P107-D123 WeakPolarHBondContact CG-O 3.43Å; P107-I125 HydrophobicContact CG-CG1 4.33Å
108	Q	93.3	Very high	94.4	Very high	92 Å²	92	59.2 Å²	59.2	43%	0.43	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-67.5	-18.1	-180	74.6	-73.5	-7.1	0	0	114.2	L27 P106	L27-Q108 VanDerWaalsContact O-CD 3.27Å; L27-Q108 PolarHBondContact O-NE2 3.01Å; L27-Q108 PolarHBondContact O-OE1 3.16Å; P106-Q108 VanDerWaalsContact C-N 3.3Å; P106-Q108 PolarHBondContact O-N 3.4Å; P106-Q108 VanDerWaalsContact O-N 3.17Å
109	L	94.1	Very high	94.2	Very high	11 Å²	11	60.2 Å²	60.2	6%	0.058	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-102.9	3.7	172.5	-60.6	179.6	0	0	0	112	I30 E86 G87 I105 P106 P107	I30-L109 HydrophobicContact CG2-CD1 3.76Å; E86-L109 HydrophobicContact CB-CD2 4.39Å; E86-L109 HydrophobicContact CG-CD2 4.04Å; E86-L109 PolarHBondContact N-O 3.01Å; G87-L109 PolarHBondContact N-O 3.36Å; I105-L109 HydrophobicContact CG2-CB 3.86Å; P106-L109 HydrophobicContact CG-CB 4.44Å; P106-L109 HydrophobicContact CG-CD1 4.12Å; P106-L109 HydrophobicContact CG-CG 4.31Å; P106-L109 PolarHBondContact O-N 2.98Å; P107-L109 PolarHBondContact O-N 3.16Å
110	A	93.5	Very high	94.1	Very high	20 Å²	20	60.5 Å²	60.5	17%	0.165	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-116.9	176.8	0	0	0	0	0	110.8	I85 I105 P106 P107 L126	I85-A110 HydrophobicContact CD1-CB 4.2Å; I105-A110 HydrophobicContact CG2-CB 3.89Å; P106-A110 PolarHBondContact O-N 2.99Å; P107-A110 CarbonylContact O-C 3.51Å; P107-A110 WeakPolarHBondContact O-CA 3.33Å; P107-A110 PolarHBondContact O-N 3.39Å; A110-L126 HydrophobicContact CB-CD1 3.79Å; A110-L126 HydrophobicContact CB-CG 4.22Å
111	Y	93.8	Very high	93.9	Very high	81 Å²	81	60.1 Å²	60.1	32%	0.318	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	2.3	-176.3	-60.9	-81.1	0	0	0	114.2	I85 P107 G115 Y116 I120 L126	I85-Y111 HydrophobicContact CG2-CD1 4.49Å; I85-Y111 HydrophobicContact CG2-CE1 4.04Å; I85-Y111 HydrophobicContact CG2-CE2 4.04Å; P107-Y111 PolarHBondContact O-N 2.93Å; Y111-G115 PolarHBondContact O-N 3.41Å; Y111-Y116 AromaticContact CD1-CD2 3.91Å; Y111-Y116 HydrophobicContact CD1-CD2 3.91Å; Y111-Y116 HydrophobicContact CD1-CG 4.09Å; Y111-Y116 AromaticContact CE1-CD2 3.56Å; Y111-Y116 HydrophobicContact CE1-CD2 3.56Å; Y111-Y116 HydrophobicContact CE1-CE2 4.33Å; Y111-Y116 AromaticContact CE1-CG 3.77Å; Y111-Y116 HydrophobicContact CE1-CG 3.77Å; Y111-I120 HydrophobicContact CD2-CB 4.46Å; Y111-I120 HydrophobicContact CD2-CD1 3.56Å; Y111-I120 HydrophobicContact CD2-CG2 4Å; Y111-I120 HydrophobicContact CE2-CD1 3.17Å; Y111-L126 HydrophobicContact CD2-CD1 3.84Å; Y111-L126 HydrophobicContact CE2-CD1 3.79Å
112	G	92.3	Very high	93.7	Very high	20 Å²	20	62.8 Å²	62.8	21%	0.206	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-148.2	175	0	0	0	0	0	114.7	P107 E114 G115 D123	P107-G112 VanDerWaalsContact O-CA 3.26Å; P107-G112 WeakPolarHBondContact O-CA 3.42Å; P107-G112 PolarHBondContact O-N 2.96Å; G112-E114 PolarHBondContact O-N 2.9Å; G112-G115 PolarHBondContact O-N 3.43Å; G112-D123 PolarHBondContact O-N 3.44Å
113	K	92.7	Very high	93.5	Very high	167 Å²	167	65.2 Å²	65.2	73%	0.726	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.8	179.9	-66.9	-178.2	178.4	-178.3	0	114.1	S122 D123	K113-S122 WeakPolarHBondContact CA-OG 3.3Å; K113-S122 VanDerWaalsContact O-CB 3.31Å; K113-S122 WeakPolarHBondContact O-CB 3.46Å; K113-S122 PolarHBondContact O-OG 2.82Å; K113-D123 WeakPolarHBondContact CG-OD1 3.34Å
114	E	92.3	Very high	93.4	Very high	188 Å²	188	65.9 Å²	65.9	88%	0.879	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-28.6	-178.5	-63.5	-174.5	172.8	0	0	111.1	G112	G112-E114 PolarHBondContact O-N 2.9Å
115	G	91	Very high	93.3	Very high	12 Å²	12	65.7 Å²	65.7	12%	0.124	36%	0.361	C	S	.	.			trans	66.7	-164.3	-172.1	0	0	0	0	0	111.8	Y111 G112 I120	Y111-G115 PolarHBondContact O-N 3.41Å; G112-G115 PolarHBondContact O-N 3.43Å; G115-I120 CarbonylContact C-O 3.58Å; G115-I120 VanDerWaalsContact CA-O 3.31Å; G115-I120 WeakPolarHBondContact CA-O 3.26Å
116	Y	93.1	Very high	93.3	Very high	141 Å²	141	65.7 Å²	65.7	55%	0.553	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-139.1	104.5	176.8	-173.1	-97.7	0	0	0	111.6	Y111 V119 I120	Y111-Y116 AromaticContact CD1-CD2 3.91Å; Y111-Y116 HydrophobicContact CD1-CD2 3.91Å; Y111-Y116 HydrophobicContact CD1-CG 4.09Å; Y111-Y116 AromaticContact CE1-CD2 3.56Å; Y111-Y116 HydrophobicContact CE1-CD2 3.56Å; Y111-Y116 HydrophobicContact CE1-CE2 4.33Å; Y111-Y116 AromaticContact CE1-CG 3.77Å; Y111-Y116 HydrophobicContact CE1-CG 3.77Å; Y116-V119 PolarHBondContact O-N 2.87Å; Y116-I120 PolarHBondContact N-O 3.49Å; Y116-I120 PolarHBondContact O-N 3.29Å
117	G	91	Very high	93.4	Very high	71 Å²	71	67 Å²	67	73%	0.732	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	-142	-176.8	0	0	0	0	0	111.9	V119	G117-V119 VanDerWaalsContact C-N 3.31Å
118	D	90.2	Very high	93.6	Very high	177 Å²	177	67.1 Å²	67.1	95%	0.947	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	1.6	175.9	-58.7	-42	0	0	0	113.1
119	V	93.2	Very high	93.8	Very high	79 Å²	79	64.6 Å²	64.6	48%	0.479	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-43.9	-171.5	-178.4	0	0	0	0	111.2	F59 F65 Y116 G117	F59-V119 WeakPolarHBondContact CZ-O 3.17Å; F65-V119 HydrophobicContact CB-CG1 3.93Å; Y116-V119 PolarHBondContact O-N 2.87Å; G117-V119 VanDerWaalsContact C-N 3.31Å
120	I	94.7	Very high	94	Very high	7 Å²	7	64.2 Å²	64.2	4%	0.036	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-116.2	113.6	-175.3	-56.6	179.9	0	0	0	109.3	F65 Y111 G115 Y116 A124 L126	F65-I120 HydrophobicContact CD2-CD1 4.16Å; F65-I120 HydrophobicContact CD2-CG1 4.31Å; F65-I120 HydrophobicContact CE2-CD1 3.99Å; Y111-I120 HydrophobicContact CD2-CB 4.46Å; Y111-I120 HydrophobicContact CD2-CD1 3.56Å; Y111-I120 HydrophobicContact CD2-CG2 4Å; Y111-I120 HydrophobicContact CE2-CD1 3.17Å; G115-I120 CarbonylContact C-O 3.58Å; G115-I120 VanDerWaalsContact CA-O 3.31Å; G115-I120 WeakPolarHBondContact CA-O 3.26Å; Y116-I120 PolarHBondContact N-O 3.49Å; Y116-I120 PolarHBondContact O-N 3.29Å; I120-A124 HydrophobicContact CG2-CB 3.98Å; I120-L126 HydrophobicContact CD1-CD1 4.29Å; I120-L126 HydrophobicContact CD1-CD2 4.49Å; I120-L126 HydrophobicContact CG2-CD2 3.92Å
121	P	93.7	Very high	94.2	Very high	78 Å²	78	64.2 Å²	64.2	51%	0.506	35%	0.351	S	S	.	.			trans	-63.4	160	177.3	-22.4	33.5	0	0	0	113.7	A124	P121-A124 HydrophobicContact CB-CB 4.47Å; P121-A124 VanDerWaalsContact O-CB 3.25Å; P121-A124 WeakPolarHBondContact O-CB 3.46Å; P121-A124 PolarHBondContact O-N 3.5Å
122	S	93.9	Very high	94.3	Very high	64 Å²	64	60.4 Å²	60.4	45%	0.448	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	140.5	167.4	175.4	0	0	0	0	111.1	K113 A124	K113-S122 WeakPolarHBondContact CA-OG 3.3Å; K113-S122 VanDerWaalsContact O-CB 3.31Å; K113-S122 WeakPolarHBondContact O-CB 3.46Å; K113-S122 PolarHBondContact O-OG 2.82Å; S122-A124 PolarHBondContact O-N 2.83Å; S122-A124 VanDerWaalsContact O-N 3.14Å
123	D	93.3	Very high	94.5	Very high	89 Å²	89	60 Å²	60	48%	0.476	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	27.1	176.3	-61	-53.4	0	0	0	114	P107 G112 K113	P107-D123 HydrophobicContact CB-CB 4.49Å; P107-D123 HydrophobicContact CG-CB 4.38Å; P107-D123 WeakPolarHBondContact CG-O 3.43Å; G112-D123 PolarHBondContact O-N 3.44Å; K113-D123 WeakPolarHBondContact CG-OD1 3.34Å
124	A	93.4	Very high	94.7	Very high	16 Å²	16	52.1 Å²	52.1	13%	0.132	30%	0.295	C	S	.	.			trans	-76.8	131.6	178.6	0	0	0	0	0	112.4	F59 I120 P121 S122 L126	F59-A124 HydrophobicContact CD1-CB 4.5Å; F59-A124 HydrophobicContact CE1-CB 4.09Å; I120-A124 HydrophobicContact CG2-CB 3.98Å; P121-A124 HydrophobicContact CB-CB 4.47Å; P121-A124 VanDerWaalsContact O-CB 3.25Å; P121-A124 WeakPolarHBondContact O-CB 3.46Å; P121-A124 PolarHBondContact O-N 3.5Å; S122-A124 PolarHBondContact O-N 2.83Å; S122-A124 VanDerWaalsContact O-N 3.14Å; A124-L126 HydrophobicContact CB-CD2 4.33Å
125	I	94.4	Very high	95	Very high	51 Å²	51	43.4 Å²	43.4	26%	0.262	25%	0.254	S	S	.	.			trans	-78.7	134.6	165.9	-62.3	170	0	0	0	108.1	P60 P107	P60-I125 WeakPolarHBondContact CD-O 3.25Å; P60-I125 HydrophobicContact CG-CB 3.98Å; P60-I125 HydrophobicContact CG-CG2 4.12Å; P107-I125 HydrophobicContact CG-CG1 4.33Å
126	L	96.2	Very high	95.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.1	-179.6	-53.6	-175.9	0	0	0	111	F59 F65 I85 K104 I105 A110 Y111 I120 A124 F128	F59-L126 HydrophobicContact CD1-CD2 4.3Å; F59-L126 HydrophobicContact CE1-CD2 4Å; F65-L126 HydrophobicContact CE1-CB 4.44Å; F65-L126 HydrophobicContact CE1-CD2 3.77Å; F65-L126 HydrophobicContact CZ-CB 4.39Å; F65-L126 HydrophobicContact CZ-CD1 4.23Å; F65-L126 HydrophobicContact CZ-CD2 3.99Å; F65-L126 HydrophobicContact CZ-CG 4.44Å; I85-L126 HydrophobicContact CD1-CD1 4.26Å; K104-L126 CarbonylContact C-O 3.58Å; K104-L126 WeakPolarHBondContact CA-O 3.35Å; I105-L126 PolarHBondContact N-O 3.24Å; I105-L126 PolarHBondContact O-N 2.9Å; A110-L126 HydrophobicContact CB-CD1 3.79Å; A110-L126 HydrophobicContact CB-CG 4.22Å; Y111-L126 HydrophobicContact CD2-CD1 3.84Å; Y111-L126 HydrophobicContact CE2-CD1 3.79Å; I120-L126 HydrophobicContact CD1-CD1 4.29Å; I120-L126 HydrophobicContact CD1-CD2 4.49Å; I120-L126 HydrophobicContact CG2-CD2 3.92Å; A124-L126 HydrophobicContact CB-CD2 4.33Å; L126-F128 HydrophobicContact CB-CD2 4.23Å; L126-F128 HydrophobicContact CB-CE2 3.64Å; L126-F128 HydrophobicContact CB-CZ 4.42Å; L126-F128 HydrophobicContact CD1-CE2 3.9Å; L126-F128 HydrophobicContact CD1-CZ 4.13Å; L126-F128 HydrophobicContact CG-CE2 4.45Å
127	H	97.2	Very high	95.3	Very high	30 Å²	30	38 Å²	38	14%	0.139	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.3	169.8	-65.4	177.7	0	0	0	109.5	G57 M58 V103	G57-H127 WeakPolarHBondContact CA-O 3.47Å; M58-H127 PolarHBondContact N-O 3.03Å; M58-H127 WeakPolarHBondContact O-CA 3.45Å; M58-H127 WeakPolarHBondContact O-CB 3.4Å; M58-H127 PolarHBondContact O-N 3.31Å; V103-H127 CarbonylContact O-C 3.53Å; V103-H127 VanDerWaalsContact O-CA 3.32Å; V103-H127 WeakPolarHBondContact O-CA 3.28Å
128	F	97.8	Very high	95.4	Very high	16 Å²	16	37.8 Å²	37.8	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.3	174.9	-70.9	-85.4	0	0	0	110.2	Y55 N56 F65 I85 L102 V103 I105 L126 V130	Y55-F128 AromaticContact CD2-CD1 3.7Å; Y55-F128 HydrophobicContact CD2-CD1 3.7Å; Y55-F128 AromaticContact CD2-CE1 3.85Å; Y55-F128 HydrophobicContact CD2-CE1 3.85Å; Y55-F128 HydrophobicContact CE2-CD1 4.36Å; Y55-F128 HydrophobicContact CE2-CE1 4.03Å; Y55-F128 HydrophobicContact CG-CD1 4.36Å; N56-F128 WeakPolarHBondContact O-CA 3.45Å; F65-F128 HydrophobicContact CE2-CE1 4.29Å; F65-F128 HydrophobicContact CE2-CZ 4.19Å; F65-F128 AromaticContact CZ-CE1 3.96Å; F65-F128 HydrophobicContact CZ-CE1 3.96Å; F65-F128 HydrophobicContact CZ-CE2 4.36Å; F65-F128 AromaticContact CZ-CZ 3.69Å; F65-F128 HydrophobicContact CZ-CZ 3.69Å; I85-F128 HydrophobicContact CD1-CE2 3.85Å; I85-F128 HydrophobicContact CD1-CZ 4.21Å; L102-F128 CarbonylContact C-O 3.57Å; L102-F128 WeakPolarHBondContact CA-O 3.49Å; V103-F128 HydrophobicContact CB-CB 4.38Å; V103-F128 PolarHBondContact N-O 2.67Å; V103-F128 PolarHBondContact O-N 2.8Å; I105-F128 HydrophobicContact CD1-CD2 3.68Å; I105-F128 HydrophobicContact CD1-CE2 3.87Å; I105-F128 HydrophobicContact CG1-CD2 4.35Å; L126-F128 HydrophobicContact CB-CD2 4.23Å; L126-F128 HydrophobicContact CB-CE2 3.64Å; L126-F128 HydrophobicContact CB-CZ 4.42Å; L126-F128 HydrophobicContact CD1-CE2 3.9Å; L126-F128 HydrophobicContact CD1-CZ 4.13Å; L126-F128 HydrophobicContact CG-CE2 4.45Å; F128-V130 HydrophobicContact CB-CG2 3.83Å
129	D	97.4	Very high	95.6	Very high	39 Å²	39	36.1 Å²	36.1	21%	0.209	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.1	161.4	174.5	22.4	0	0	0	107.9	Y55 N56 M58 R100 R101 L102	Y55-D129 CarbonylContact C-O 3.58Å; Y55-D129 WeakPolarHBondContact CA-O 3.47Å; N56-D129 HydrophobicContact CB-CB 4.41Å; N56-D129 PolarHBondContact N-O 3.22Å; N56-D129 PolarHBondContact O-N 2.98Å; M58-D129 HydrophobicContact CE-CB 4.47Å; R100-D129 IonicContact NH1-OD2 3.15Å; R101-D129 CarbonylContact O-C 3.6Å; R101-D129 WeakPolarHBondContact O-CA 3.38Å; L102-D129 HydrophobicContact CD1-CB 4.49Å
130	V	98	Very high	95.7	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.7	-169.5	-175.5	0	0	0	0	109.3	Y53 H54 M88 L92 M95 R100 R101 V103 F128	Y53-V130 HydrophobicContact CD2-CG1 3.71Å; Y53-V130 HydrophobicContact CE2-CG1 4.31Å; Y53-V130 HydrophobicContact CG-CG1 4.25Å; H54-V130 CarbonylContact O-C 3.56Å; H54-V130 WeakPolarHBondContact O-CA 3.36Å; M88-V130 HydrophobicContact CE-CB 4.25Å; M88-V130 HydrophobicContact CE-CG1 3.7Å; M88-V130 HydrophobicContact CE-CG2 3.46Å; M88-V130 VanDerWaalsContact CE-CG2 3.46Å; M88-V130 HydrophobicContact SD-CG2 4.08Å; L92-V130 HydrophobicContact CD2-CG1 4.03Å; M95-V130 HydrophobicContact CE-CB 4.4Å; M95-V130 HydrophobicContact CE-CG1 4.05Å; M95-V130 WeakPolarHBondContact CE-O 3.27Å; M95-V130 HydrophobicContact SD-CG1 4.13Å; R100-V130 CarbonylContact C-O 3.57Å; R100-V130 WeakPolarHBondContact CA-O 3.15Å; R101-V130 PolarHBondContact N-O 3.45Å; R101-V130 PolarHBondContact O-N 3.4Å; V103-V130 HydrophobicContact CG2-CG2 4.23Å; F128-V130 HydrophobicContact CB-CG2 3.83Å
131	L	97.7	Very high	95.8	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.11	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117	171.7	170.1	68.5	0	0	0	109.6	Y53 H54 R100 L133	Y53-L131 CarbonylContact C-O 3.56Å; Y53-L131 VanDerWaalsContact CA-O 3.23Å; Y53-L131 WeakPolarHBondContact CA-O 3.29Å; Y53-L131 WeakPolarHBondContact CB-O 3.34Å; H54-L131 HydrophobicContact CB-CB 4.43Å; H54-L131 PolarHBondContact N-O 3.32Å; H54-L131 PolarHBondContact O-N 3.36Å; R100-L131 HydrophobicContact CG-CB 4.18Å; R100-L131 HydrophobicContact CG-CD1 3.64Å; R100-L131 HydrophobicContact CG-CG 4.49Å; L131-L133 HydrophobicContact CD2-CD2 3.67Å; L131-L133 HydrophobicContact CG-CD2 3.78Å
132	L	97.7	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.2	177.6	-174.7	66.7	0	0	0	110.7	V45 V51 M95 N98 E99 D134	V45-L132 HydrophobicContact CG2-CD1 4.47Å; V45-L132 HydrophobicContact CG2-CD2 3.45Å; V45-L132 VanDerWaalsContact CG2-CD2 3.45Å; V51-L132 HydrophobicContact CB-CD1 3.82Å; V51-L132 HydrophobicContact CG1-CD1 4.06Å; M95-L132 HydrophobicContact CB-CD2 4.02Å; M95-L132 HydrophobicContact CE-CB 3.66Å; M95-L132 HydrophobicContact CG-CB 3.99Å; M95-L132 HydrophobicContact CG-CD2 3.98Å; M95-L132 HydrophobicContact SD-CB 3.89Å; N98-L132 WeakPolarHBondContact CA-O 3.23Å; N98-L132 PolarHBondContact N-O 2.87Å; E99-L132 PolarHBondContact O-N 3.46Å; L132-D134 WeakPolarHBondContact CD1-O 3.13Å
133	L	96.4	Very high	96.1	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.068	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-30.9	-177.2	-52.7	174.4	0	0	0	112.6	R52 H54 T74 V97 L131	R52-L133 HydrophobicContact CG-CB 4.45Å; R52-L133 HydrophobicContact CG-CD1 4.44Å; R52-L133 WeakPolarHBondContact O-CA 3.4Å; R52-L133 WeakPolarHBondContact O-CB 3.38Å; R52-L133 PolarHBondContact O-N 3.16Å; H54-L133 VanDerWaalsContact CD2-CD1 3.48Å; H54-L133 WeakPolarHBondContact CD2-CD1 3.36Å; T74-L133 HydrophobicContact CG2-CD1 3.5Å; T74-L133 VanDerWaalsContact CG2-CD1 3.5Å; V97-L133 WeakPolarHBondContact CG1-O 3.38Å; L131-L133 HydrophobicContact CD2-CD2 3.67Å; L131-L133 HydrophobicContact CG-CD2 3.78Å
134	D	96.9	Very high	96.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	151.3	-175.1	-143.7	-40.3	0	0	0	111.6	V51 R52 L132 L172 A236 S237	V51-D134 WeakPolarHBondContact CA-O 3.24Å; R52-D134 HydrophobicContact CB-CB 3.69Å; R52-D134 IonicContact CZ-OD2 2.74Å; R52-D134 PolarHBondContact N-O 2.93Å; R52-D134 VanDerWaalsContact N-O 3.08Å; R52-D134 IonicContact NE-OD2 2.68Å; R52-D134 IonicContact NH2-OD2 3.96Å; R52-D134 PolarHBondContact NH2-OD2 3Å; R52-D134 PolarHBondContact O-N 3.1Å; L132-D134 WeakPolarHBondContact CD1-O 3.13Å; D134-L172 WeakPolarHBondContact OD1-CD2 3.32Å; D134-A236 WeakPolarHBondContact OD2-CA 3.46Å; D134-S237 WeakPolarHBondContact OD1-CB 3.27Å; D134-S237 PolarHBondContact OD1-OG 2.83Å; D134-S237 PolarHBondContact OD2-N 2.9Å
135	V	97	Very high	96.5	Very high	4 Å²	4	44 Å²	44	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	126	175.2	59.4	0	0	0	0	110.2	R43 V45 D49 Y50 V51 V97 L172	R43-V135 HydrophobicContact CB-CG1 4.34Å; R43-V135 HydrophobicContact CG-CG1 4.11Å; V45-V135 HydrophobicContact CB-CG2 4.49Å; V45-V135 HydrophobicContact CG2-CB 4.2Å; V45-V135 HydrophobicContact CG2-CG2 3.8Å; D49-V135 HydrophobicContact CB-CG2 3.91Å; Y50-V135 WeakPolarHBondContact O-CA 3.46Å; V51-V135 HydrophobicContact CG1-CB 4.42Å; V51-V135 HydrophobicContact CG1-CG2 4.21Å; V97-V135 HydrophobicContact CG2-CG1 3.61Å; V135-L172 HydrophobicContact CG1-CD2 4.25Å
136	W	96.7	Very high	96.7	Very high	11 Å²	11	44.1 Å²	44.1	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	167.5	175.1	60.4	-92.7	0	0	0	111	Y50 P138 D140 P218 P219 Q235	Y50-W136 HydrophobicContact CD1-CD2 4.49Å; Y50-W136 AromaticContact CD1-CE2 3.45Å; Y50-W136 VanDerWaalsContact CD1-CE2 3.45Å; Y50-W136 AromaticContact CD1-CZ2 3.52Å; Y50-W136 HydrophobicContact CD1-CZ2 3.52Å; Y50-W136 AromaticContact CD1-NE1 3.26Å; Y50-W136 VanDerWaalsContact CD1-NE1 3.26Å; Y50-W136 HydrophobicContact CD2-CZ2 4.11Å; Y50-W136 HydrophobicContact CE1-CZ2 4.03Å; Y50-W136 AromaticContact CE1-NE1 3.94Å; Y50-W136 AromaticContact CG-CE2 3.7Å; Y50-W136 HydrophobicContact CG-CH2 4.23Å; Y50-W136 AromaticContact CG-CZ2 3.52Å; Y50-W136 HydrophobicContact CG-CZ2 3.52Å; Y50-W136 AromaticContact CG-NE1 3.97Å; Y50-W136 PolarHBondContact N-O 2.95Å; Y50-W136 PolarHBondContact O-N 3.42Å; W136-P138 HydrophobicContact CZ3-CG 4.02Å; W136-D140 VanDerWaalsContact CA-OD2 3.32Å; W136-D140 WeakPolarHBondContact CA-OD2 3.38Å; W136-P218 HydrophobicContact CB-CB 4.45Å; W136-P219 HydrophobicContact CD2-CG 3.98Å; W136-P219 HydrophobicContact CG-CG 4.19Å; W136-P219 HydrophobicContact CZ2-CG 3.96Å; W136-P219 VanDerWaalsContact NE1-CG 3.35Å; W136-Q235 HydrophobicContact CZ2-CB 4.24Å; W136-Q235 PolarHBondContact NE1-O 2.71Å
137	N	95.1	Very high	96.7	Very high	30 Å²	30	49.3 Å²	49.3	16%	0.16	25%	0.251	C	S	.	.			trans	-127.5	145.5	175.3	-173.6	-69.5	0	0	0	110.2	D49 D139 D140	D49-N137 PolarHBondContact OD1-ND2 3.22Å; N137-D139 PolarHBondContact O-N 3.11Å; N137-D139 PolarHBondContact OD1-N 3.4Å; N137-D140 PolarHBondContact N-OD2 2.88Å; N137-D140 WeakPolarHBondContact O-CB 3.45Å; N137-D140 VanDerWaalsContact O-CG 3.23Å; N137-D140 PolarHBondContact O-N 3.22Å
138	P	93.4	Very high	96.7	Very high	66 Å²	66	53.7 Å²	53.7	43%	0.429	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.7	177.1	-30	36	0	0	0	115.6	Y78 W136 D140	Y78-P138 HydrophobicContact CE1-CG 4.09Å; W136-P138 HydrophobicContact CZ3-CG 4.02Å; P138-D140 VanDerWaalsContact C-N 3.31Å
139	D	94.3	Very high	96.6	Very high	142 Å²	142	56.7 Å²	56.7	76%	0.759	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-2	179.1	-60.1	-33.3	0	0	0	113.3	N137	N137-D139 PolarHBondContact O-N 3.11Å; N137-D139 PolarHBondContact OD1-N 3.4Å
140	D	95	Very high	96.3	Very high	45 Å²	45	55.9 Å²	55.9	24%	0.241	28%	0.283	C	S	.	.			trans	-65.3	142.4	178.7	-69.6	-19.9	0	0	0	111.2	R43 W136 N137 P138 P218	R43-D140 IonicContact CZ-OD1 3.32Å; R43-D140 IonicContact CZ-OD2 2.87Å; R43-D140 IonicContact NH1-OD1 2.8Å; R43-D140 PolarHBondContact NH1-OD1 3.35Å; R43-D140 IonicContact NH1-OD2 2.64Å; R43-D140 PolarHBondContact NH1-OD2 3.17Å; R43-D140 IonicContact NH2-OD1 3.42Å; R43-D140 IonicContact NH2-OD2 3.33Å; W136-D140 VanDerWaalsContact CA-OD2 3.32Å; W136-D140 WeakPolarHBondContact CA-OD2 3.38Å; N137-D140 PolarHBondContact N-OD2 2.88Å; N137-D140 WeakPolarHBondContact O-CB 3.45Å; N137-D140 VanDerWaalsContact O-CG 3.23Å; N137-D140 PolarHBondContact O-N 3.22Å; P138-D140 VanDerWaalsContact C-N 3.31Å; D140-P218 HydrophobicContact CB-CB 4.09Å; D140-P218 HydrophobicContact CB-CG 4.05Å
141	V	96.7	Very high	95.9	Very high	88 Å²	88	65.9 Å²	65.9	53%	0.533	33%	0.33	S	S	.	.			trans	-117.8	166.1	173.8	-60.2	0	0	0	0	109.9	Q143	V141-Q143 PolarHBondContact O-N 2.72Å; V141-Q143 PolarHBondContact O-NE2 2.84Å
142	V	97.2	Very high	95.2	Very high	13 Å²	13	70.3 Å²	70.3	8%	0.079	35%	0.354	C	S	.	.			trans	-53.9	128.3	175.1	173.4	0	0	0	0	110.3	M144 Q202 I215 T216 M217 L221	V142-M144 HydrophobicContact CG1-CG 4.15Å; V142-Q202 HydrophobicContact CG2-CB 4.3Å; V142-I215 HydrophobicContact CG1-CG2 3.72Å; V142-T216 WeakPolarHBondContact CA-O 3.43Å; V142-M217 HydrophobicContact CG2-CB 3.97Å; V142-L221 HydrophobicContact CG2-CB 4.43Å; V142-L221 HydrophobicContact CG2-CD1 3.61Å
143	Q	97.1	Very high	94.7	Very high	115 Å²	115	72.5 Å²	72.5	54%	0.537	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.2	173.5	-57.9	-58.9	-59.2	0	0	109	V141 I215 T216	V141-Q143 PolarHBondContact O-N 2.72Å; V141-Q143 PolarHBondContact O-NE2 2.84Å; Q143-I215 WeakPolarHBondContact O-CA 3.31Å; Q143-T216 PolarHBondContact N-O 3.02Å; Q143-T216 PolarHBondContact O-N 3.36Å
144	M	97.3	Very high	94	Very high	99 Å²	99	77.1 Å²	77.1	49%	0.488	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.2	179.1	-68.5	175.3	-75.9	0	0	109.4	V142 R213 I214	V142-M144 HydrophobicContact CG1-CG 4.15Å; M144-R213 HydrophobicContact CB-CG 4.46Å; M144-R213 PolarHBondContact SD-NH1 2.97Å; M144-I214 CarbonylContact C-O 3.54Å; M144-I214 WeakPolarHBondContact CA-O 3.38Å
145	K	97.1	Very high	93.6	Very high	137 Å²	137	80.8 Å²	80.8	60%	0.596	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	95.8	173.5	-177	-176.1	176.9	-175.4	0	109.4	Y147 R213 I214	K145-Y147 PolarHBondContact O-N 3.35Å; K145-R213 WeakPolarHBondContact O-CA 3.23Å; K145-I214 HydrophobicContact CB-CB 4.39Å; K145-I214 PolarHBondContact N-O 3.26Å; K145-I214 PolarHBondContact O-N 2.83Å
146	T	97.9	Very high	93.5	Very high	55 Å²	55	86.2 Å²	86.2	34%	0.337	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.3	169	-60.7	0	0	0	0	109	T149 E211 R213	T146-T149 VanDerWaalsContact CG2-OG1 3.28Å; T146-T149 WeakPolarHBondContact CG2-OG1 3.38Å; T146-E211 HydrophobicContact CG2-CG 3.66Å; T146-E211 WeakPolarHBondContact CG2-OE1 3.38Å; T146-E211 PolarHBondContact OG1-OE1 2.02Å; T146-R213 PolarHBondContact OG1-NE 2.95Å
147	Y	97.3	Very high	93.6	Very high	108 Å²	108	85.9 Å²	85.9	42%	0.424	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-9	179.4	65.7	-94.9	0	0	0	113	K145 K212 I214 D241	K145-Y147 PolarHBondContact O-N 3.35Å; Y147-K212 HydrophobicContact CD1-CB 4.43Å; Y147-K212 HydrophobicContact CD2-CB 4.24Å; Y147-K212 HydrophobicContact CE1-CB 3.79Å; Y147-K212 HydrophobicContact CE2-CB 3.56Å; Y147-K212 HydrophobicContact CE2-CD 3.81Å; Y147-K212 HydrophobicContact CE2-CG 4.33Å; Y147-K212 PolarHBondContact N-O 2.76Å; Y147-K212 WeakPolarHBondContact OH-CB 3.45Å; Y147-I214 HydrophobicContact CD1-CD1 4.32Å; Y147-I214 HydrophobicContact CD1-CG1 4.07Å; Y147-I214 HydrophobicContact CE1-CD1 4.43Å; Y147-I214 HydrophobicContact CE1-CG1 3.93Å; Y147-D241 VanDerWaalsContact CE1-OD1 3.29Å; Y147-D241 WeakPolarHBondContact CE1-OD1 3.42Å; Y147-D241 PolarHBondContact OH-OD1 2.77Å; Y147-D241 PolarHBondContact OH-OD2 3.32Å
148	Y	97.3	Very high	93.7	Very high	123 Å²	123	90.7 Å²	90.7	48%	0.482	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	127.9	170	175.8	-100.3	0	0	0	109.8	G210 E211 K212	Y148-G210 VanDerWaalsContact CD1-O 3.27Å; Y148-G210 WeakPolarHBondContact CD1-O 3.48Å; Y148-G210 VanDerWaalsContact CE1-O 3.26Å; Y148-G210 WeakPolarHBondContact CE1-O 3.32Å; Y148-E211 WeakPolarHBondContact O-CA 3.47Å; Y148-E211 WeakPolarHBondContact O-CG 3.23Å; Y148-K212 HydrophobicContact CD1-CD 4.44Å; Y148-K212 HydrophobicContact CD1-CG 4.04Å; Y148-K212 PolarHBondContact N-O 2.84Å; Y148-K212 PolarHBondContact O-N 3.13Å
149	T	94.6	Very high	93.8	Very high	79 Å²	79	91.5 Å²	91.5	49%	0.485	46%	0.463	S	S	.	.			trans	-123.2	130.9	172.6	-54.9	0	0	0	0	107.9	T146	T146-T149 VanDerWaalsContact CG2-OG1 3.28Å; T146-T149 WeakPolarHBondContact CG2-OG1 3.38Å
150	P	92.3	Very high	93.8	Very high	21 Å²	21	87.1 Å²	87.1	14%	0.136	44%	0.444	C	S	.	.			trans	-65.5	153.4	176.4	30.7	-39.1	0	0	0	111.1	N152 C208 V209	P150-N152 PolarHBondContact O-N 3.45Å; P150-C208 HydrophobicContact CG-CB 3.99Å; P150-V209 VanDerWaalsContact CG-O 3.31Å; P150-V209 WeakPolarHBondContact CG-O 3.48Å
151	E	88.8	Confident	93.9	Very high	212 Å²	212	85.1 Å²	85.1	99%	0.991	43%	0.433	S	S	*	.	S	Bend	trans	-61	-36.1	179.2	-66.5	-175.4	171.8	0	0	112.4
152	N	83.9	Confident	93.9	Very high	115 Å²	115	82.7 Å²	82.7	62%	0.615	42%	0.415	S	S	*	.			trans	-106.2	109.6	179.4	-162.8	-3.2	0	0	0	110.1	P150	P150-N152 PolarHBondContact O-N 3.45Å
153	C	86.8	Confident	93.9	Very high	46 Å²	46	82.1 Å²	82.1	31%	0.311	41%	0.411	S	S	.	.			trans	-122.1	78.1	171.3	-179	0	0	0	0	109.1	R155 C208	C153-R155 VanDerWaalsContact C-N 3.33Å; C153-C208 HydrophobicContact CB-CB 3.67Å; C153-C208 WeakPolarHBondContact CB-SG 3.42Å; C153-C208 WeakPolarHBondContact SG-CB 3.29Å; C153-C208 CovalentContact SG-SG 2.02Å; C153-C208 PolarHBondContact SG-SG 3.43Å
154	S	80.7	Confident	93.8	Very high	109 Å²	109	78.5 Å²	78.5	76%	0.762	39%	0.392	S	S	*	.	S	Bend	trans	-70.9	-30.4	179.6	53.1	0	0	0	0	112.7
155	R	89.4	Confident	93.8	Very high	78 Å²	78	74 Å²	74	29%	0.294	37%	0.37	S	S	.	.			trans	-140.7	145.5	179.8	-177.7	-177.7	170.8	176.1	3.1	110.2	C153 D161 L247 D252	C153-R155 VanDerWaalsContact C-N 3.33Å; R155-D161 IonicContact CZ-OD1 2.72Å; R155-D161 IonicContact CZ-OD2 3.88Å; R155-D161 IonicContact NE-OD2 3.48Å; R155-D161 IonicContact NH2-OD1 3.71Å; R155-D161 PolarHBondContact NH2-OD1 3.01Å; R155-D161 IonicContact NH2-OD2 2.76Å; R155-D161 PolarHBondContact NH2-OD2 2.96Å; R155-D161 VanDerWaalsContact NH2-OD2 3.15Å; R155-L247 HydrophobicContact CB-CD2 4.41Å; R155-L247 HydrophobicContact CG-CD2 3.82Å; R155-D252 IonicContact CZ-OD2 2.88Å; R155-D252 IonicContact NH1-OD1 3.8Å; R155-D252 IonicContact NH1-OD2 3.64Å; R155-D252 PolarHBondContact NH1-OD2 3.39Å; R155-D252 IonicContact NH2-OD2 2.89Å
156	K	95.6	Very high	93.8	Very high	118 Å²	118	69.2 Å²	69.2	51%	0.513	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-112.7	154.9	173	-67.3	-177.1	176.8	-173.4	0	110.2	E158 M207	K156-E158 PolarHBondContact O-N 3.26Å; K156-M207 WeakPolarHBondContact CA-O 3.47Å
157	V	97.4	Very high	93.9	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.024	34%	0.336	C	S	.	.			trans	-59.9	123.4	174.6	179.8	0	0	0	0	110.1	V163 V191 L204 L205 G206 M207 L244 L247	V157-V163 HydrophobicContact CG1-CG1 3.93Å; V157-V163 HydrophobicContact CG2-CG1 3.85Å; V157-V191 HydrophobicContact CG1-CB 3.93Å; V157-V191 HydrophobicContact CG1-CG1 3.94Å; V157-V191 HydrophobicContact CG1-CG2 3.91Å; V157-L204 WeakPolarHBondContact CB-O 3.32Å; V157-L205 HydrophobicContact CG1-CD2 4.46Å; V157-G206 PolarHBondContact O-N 3.44Å; V157-M207 HydrophobicContact CG2-CB 4.09Å; V157-M207 WeakPolarHBondContact CG2-O 3.3Å; V157-M207 PolarHBondContact N-O 2.99Å; V157-L244 HydrophobicContact CG2-CD1 4.5Å; V157-L244 HydrophobicContact CG2-CD2 3.45Å; V157-L244 VanDerWaalsContact CG2-CD2 3.45Å; V157-L247 HydrophobicContact CB-CD1 4.48Å; V157-L247 HydrophobicContact CG2-CD1 4.09Å; V157-L247 HydrophobicContact CG2-CD2 4.21Å
158	E	96.9	Very high	93.9	Very high	131 Å²	131	64.5 Å²	64.5	61%	0.612	33%	0.329	S	S	*	.			trans	-112	170.3	172.1	-63.4	-172.4	163.8	0	0	111.6	K156 S160 D161	K156-E158 PolarHBondContact O-N 3.26Å; E158-S160 PolarHBondContact O-N 3.5Å; E158-D161 PolarHBondContact N-OD2 3.41Å; E158-D161 WeakPolarHBondContact O-CB 3.42Å; E158-D161 PolarHBondContact O-N 2.86Å
159	V	96.3	Very high	94	Very high	83 Å²	83	58.6 Å²	58.6	50%	0.503	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	138.5	175.4	175.7	0	0	0	0	109.3	D161 I193 L205	V159-D161 VanDerWaalsContact C-N 3.26Å; V159-D161 PolarHBondContact O-N 2.83Å; V159-I193 HydrophobicContact CG1-CG2 4.35Å; V159-L205 HydrophobicContact CG2-CD2 4.08Å
160	S	94.9	Very high	94.1	Very high	51 Å²	51	56.4 Å²	56.4	36%	0.357	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	2.3	-176.6	78.9	0	0	0	0	116.2	E158 V191 N249	E158-S160 PolarHBondContact O-N 3.5Å; S160-V191 PolarHBondContact N-O 2.92Å; S160-N249 PolarHBondContact OG-ND2 3Å
161	D	96.9	Very high	94.4	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.011	29%	0.288	C	S	.	.			trans	-72.1	144.5	171.1	-74.4	-16.7	0	0	0	111.3	R155 E158 V159 Y190 V191 L247 N249	R155-D161 IonicContact CZ-OD1 2.72Å; R155-D161 IonicContact CZ-OD2 3.88Å; R155-D161 IonicContact NE-OD2 3.48Å; R155-D161 IonicContact NH2-OD1 3.71Å; R155-D161 PolarHBondContact NH2-OD1 3.01Å; R155-D161 IonicContact NH2-OD2 2.76Å; R155-D161 PolarHBondContact NH2-OD2 2.96Å; R155-D161 VanDerWaalsContact NH2-OD2 3.15Å; E158-D161 PolarHBondContact N-OD2 3.41Å; E158-D161 WeakPolarHBondContact O-CB 3.42Å; E158-D161 PolarHBondContact O-N 2.86Å; V159-D161 VanDerWaalsContact C-N 3.26Å; V159-D161 PolarHBondContact O-N 2.83Å; D161-Y190 CarbonylContact O-C 3.53Å; D161-Y190 VanDerWaalsContact O-CA 3.3Å; D161-Y190 WeakPolarHBondContact O-CA 3.5Å; D161-V191 PolarHBondContact O-N 3.03Å; D161-L247 HydrophobicContact CB-CD1 3.5Å; D161-L247 WeakPolarHBondContact OD2-CD1 3.3Å; D161-N249 PolarHBondContact OD1-ND2 3.17Å
162	Y	96.2	Very high	94.7	Very high	38 Å²	38	48.1 Å²	48.1	15%	0.149	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.6	169.4	-167.5	-88.9	0	0	0	109.3	D188 T189 Y190 L247 H248	Y162-D188 HydrophobicContact CE1-CB 3.87Å; Y162-D188 WeakPolarHBondContact OH-CB 3.19Å; Y162-T189 CarbonylContact C-O 3.56Å; Y162-T189 WeakPolarHBondContact CA-O 3.26Å; Y162-Y190 HydrophobicContact CD2-CD1 4.05Å; Y162-Y190 HydrophobicContact CD2-CD2 4.02Å; Y162-Y190 AromaticContact CD2-CE1 3.8Å; Y162-Y190 HydrophobicContact CD2-CE1 3.8Å; Y162-Y190 AromaticContact CD2-CE2 3.76Å; Y162-Y190 HydrophobicContact CD2-CE2 3.76Å; Y162-Y190 HydrophobicContact CD2-CG 4.15Å; Y162-Y190 AromaticContact CD2-CZ 3.65Å; Y162-Y190 HydrophobicContact CE2-CD2 4.48Å; Y162-Y190 HydrophobicContact CE2-CE2 4.14Å; Y162-Y190 HydrophobicContact CG-CE1 4.37Å; Y162-L247 WeakPolarHBondContact O-CA 3.43Å; Y162-H248 AromaticContact CD1-CE1 3.3Å; Y162-H248 WeakPolarHBondContact CD1-CE1 3.29Å; Y162-H248 AromaticContact CD1-ND1 3.96Å; Y162-H248 AromaticContact CG-CE1 3.73Å; Y162-H248 PolarHBondContact N-O 3Å; Y162-H248 PolarHBondContact O-N 2.8Å
163	V	96.8	Very high	95.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.7	-177.3	-64.1	0	0	0	0	111.2	V157 Y165 D188 T189 V191 L204 L244 D246 L247	V157-V163 HydrophobicContact CG1-CG1 3.93Å; V157-V163 HydrophobicContact CG2-CG1 3.85Å; V163-Y165 HydrophobicContact CG2-CD1 3.82Å; V163-Y165 HydrophobicContact CG2-CE1 4.01Å; V163-D188 VanDerWaalsContact O-CA 3.3Å; V163-D188 WeakPolarHBondContact O-CA 3.4Å; V163-T189 HydrophobicContact CG2-CG2 4.07Å; V163-T189 PolarHBondContact N-O 3.02Å; V163-T189 PolarHBondContact O-N 3.08Å; V163-T189 VanDerWaalsContact O-N 3.1Å; V163-V191 HydrophobicContact CB-CG2 4.15Å; V163-V191 HydrophobicContact CG1-CG2 3.67Å; V163-V191 HydrophobicContact CG2-CG2 3.36Å; V163-L204 HydrophobicContact CG2-CD1 4.5Å; V163-L244 HydrophobicContact CB-CD1 3.78Å; V163-L244 HydrophobicContact CG1-CD1 4Å; V163-D246 WeakPolarHBondContact CA-O 3.45Å; V163-L247 HydrophobicContact CG1-CD1 3.92Å
164	R	96.1	Very high	95.5	Very high	38 Å²	38	44 Å²	44	14%	0.143	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.2	169.8	-179.8	155.4	-179.9	-99	-5.8	108.6	T186 D188 L245 D246 P345	R164-T186 WeakPolarHBondContact CD-OG1 3.39Å; R164-T186 HydrophobicContact CG-CG2 3.7Å; R164-T186 WeakPolarHBondContact CG-OG1 2.87Å; R164-T186 PolarHBondContact NE-OG1 3.25Å; R164-D188 VanDerWaalsContact CG-OD1 3.28Å; R164-D188 WeakPolarHBondContact CG-OD1 3.46Å; R164-D188 IonicContact NE-OD1 2.96Å; R164-L245 WeakPolarHBondContact O-CA 3.37Å; R164-L245 WeakPolarHBondContact O-CB 3.31Å; R164-L245 PolarHBondContact O-N 3.28Å; R164-D246 HydrophobicContact CB-CB 3.66Å; R164-D246 PolarHBondContact N-O 3.24Å; R164-D246 PolarHBondContact O-N 2.86Å; R164-P345 VanDerWaalsContact CZ-CG 3.4Å
165	Y	97.1	Very high	96.2	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.6	-177.3	64.9	-86.4	0	0	0	112.4	V163 Y167 Y187 T189 M200 L204 V242 V243	V163-Y165 HydrophobicContact CG2-CD1 3.82Å; V163-Y165 HydrophobicContact CG2-CE1 4.01Å; Y165-Y167 HydrophobicContact CD2-CD1 4.09Å; Y165-Y167 AromaticContact CE2-CD1 3.61Å; Y165-Y167 HydrophobicContact CE2-CD1 3.61Å; Y165-Y167 HydrophobicContact CE2-CE1 4.44Å; Y165-Y167 HydrophobicContact CE2-CG 4.22Å; Y165-Y187 WeakPolarHBondContact CD1-O 3.45Å; Y165-Y187 AromaticContact CE1-CD1 3.85Å; Y165-Y187 HydrophobicContact CE1-CD1 3.85Å; Y165-Y187 HydrophobicContact CE1-CG 4.43Å; Y165-Y187 AromaticContact CZ-CD1 3.71Å; Y165-Y187 PolarHBondContact N-O 2.86Å; Y165-Y187 PolarHBondContact O-N 3.47Å; Y165-Y187 VanDerWaalsContact OH-CD1 3.3Å; Y165-Y187 WeakPolarHBondContact OH-CD1 3.47Å; Y165-T189 HydrophobicContact CE1-CG2 4.11Å; Y165-M200 HydrophobicContact CE2-CE 4.02Å; Y165-L204 HydrophobicContact CD1-CD1 4.34Å; Y165-L204 HydrophobicContact CD1-CD2 4.46Å; Y165-L204 HydrophobicContact CE1-CD1 3.73Å; Y165-L204 HydrophobicContact CE1-CD2 4.49Å; Y165-V242 HydrophobicContact CD2-CG1 3.69Å; Y165-V242 HydrophobicContact CE2-CG1 4.46Å; Y165-V242 HydrophobicContact CG-CG1 4.11Å; Y165-V243 VanDerWaalsContact CA-O 3.3Å; Y165-V243 WeakPolarHBondContact CA-O 3.21Å; Y165-V243 VanDerWaalsContact CB-O 3.23Å; Y165-V243 WeakPolarHBondContact CB-O 3.18Å
166	H	97.8	Very high	96.6	Very high	36 Å²	36	43.3 Å²	43.3	17%	0.167	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	147.2	162.8	-81.8	-55.1	0	0	0	110.2	S180 H181 R185 V242 V243	H166-S180 VanDerWaalsContact CA-OG 3.22Å; H166-S180 WeakPolarHBondContact CA-OG 3.44Å; H166-S180 WeakPolarHBondContact CB-OG 3.42Å; H166-S180 WeakPolarHBondContact ND1-CB 3.31Å; H166-S180 PolarHBondContact ND1-OG 2.76Å; H166-H181 VanDerWaalsContact CB-CE1 3.45Å; H166-H181 WeakPolarHBondContact CB-CE1 3.41Å; H166-H181 WeakPolarHBondContact CB-NE2 3.36Å; H166-H181 AromaticContact CD2-CE1 3.63Å; H166-H181 AromaticContact CD2-ND1 3.93Å; H166-H181 AromaticContact CG-CE1 3.47Å; H166-H181 VanDerWaalsContact CG-CE1 3.47Å; H166-H181 AromaticContact CG-ND1 3.81Å; H166-H181 AromaticContact CG-NE2 3.97Å; H166-H181 AromaticContact ND1-ND1 3.95Å; H166-R185 PolarHBondContact CE1-O 3.47Å; H166-V242 CarbonylContact O-C 3.54Å; H166-V242 WeakPolarHBondContact O-CA 3.44Å; H166-V243 HydrophobicContact CB-CG1 3.69Å; H166-V243 PolarHBondContact N-O 3.09Å; H166-V243 PolarHBondContact O-N 2.82Å
167	Y	98.3	Very high	96.6	Very high	12 Å²	12	39.2 Å²	39.2	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.5	172.8	71.5	-86.3	0	0	0	113.1	Y165 D178 S179 S180 Y187 F240 D241	Y165-Y167 HydrophobicContact CD2-CD1 4.09Å; Y165-Y167 AromaticContact CE2-CD1 3.61Å; Y165-Y167 HydrophobicContact CE2-CD1 3.61Å; Y165-Y167 HydrophobicContact CE2-CE1 4.44Å; Y165-Y167 HydrophobicContact CE2-CG 4.22Å; Y167-D178 HydrophobicContact CE2-CB 4.22Å; Y167-D178 PolarHBondContact OH-OD2 3.17Å; Y167-S179 PolarHBondContact O-OG 3.19Å; Y167-S180 PolarHBondContact N-OG 2.78Å; Y167-S180 PolarHBondContact O-N 2.8Å; Y167-S180 PolarHBondContact O-OG 2.86Å; Y167-Y187 AromaticContact CE1-CD2 3.95Å; Y167-Y187 HydrophobicContact CE1-CD2 3.95Å; Y167-Y187 HydrophobicContact CE1-CG 4.16Å; Y167-F240 AromaticContact CD2-CD1 3.65Å; Y167-F240 HydrophobicContact CD2-CD1 3.65Å; Y167-F240 AromaticContact CD2-CE1 3.87Å; Y167-F240 HydrophobicContact CD2-CE1 3.87Å; Y167-F240 HydrophobicContact CE2-CD1 4.28Å; Y167-F240 HydrophobicContact CE2-CE1 4.02Å; Y167-F240 HydrophobicContact CG-CD1 4.24Å; Y167-D241 CarbonylContact C-O 3.51Å; Y167-D241 WeakPolarHBondContact CA-O 3.38Å
168	N	98.4	Very high	96.5	Very high	52 Å²	52	40.5 Å²	40.5	28%	0.278	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.9	156.2	-68.2	-35.3	0	0	0	108.9	L176 S179 F240 D241	N168-L176 HydrophobicContact CB-CD1 4.18Å; N168-S179 VanDerWaalsContact OD1-CB 3.31Å; N168-S179 WeakPolarHBondContact OD1-CB 3.4Å; N168-S179 PolarHBondContact OD1-OG 3.26Å; N168-F240 WeakPolarHBondContact O-CA 3.41Å; N168-D241 PolarHBondContact N-O 3.48Å; N168-D241 PolarHBondContact O-N 3.46Å
169	G	98.1	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.5	178.1	0	0	0	0	0	111	L176 F177 D178 V239	G169-L176 WeakPolarHBondContact O-CD1 3.4Å; G169-F177 VanDerWaalsContact O-CD1 3.31Å; G169-F177 WeakPolarHBondContact O-CD1 3.4Å; G169-F177 PolarHBondContact O-N 3.05Å; G169-D178 PolarHBondContact N-O 2.9Å; G169-D178 PolarHBondContact O-N 3.44Å; G169-V239 WeakPolarHBondContact CA-O 3.14Å
170	T	98.1	Very high	96.6	Very high	32 Å²	32	30.6 Å²	30.6	20%	0.196	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.8	177.4	71.4	0	0	0	0	111.5	T175 L176 F177 V239	T170-T175 CarbonylContact C-O 3.57Å; T170-T175 WeakPolarHBondContact CA-O 3.43Å; T170-T175 WeakPolarHBondContact CB-O 3.26Å; T170-L176 HydrophobicContact CG2-CB 4.42Å; T170-L176 HydrophobicContact CG2-CD1 3.98Å; T170-F177 WeakPolarHBondContact O-CE1 3.49Å; T170-V239 PolarHBondContact N-O 3.38Å; T170-V239 PolarHBondContact O-N 3.24Å
171	L	97	Very high	96.5	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	168.5	161.6	-55.1	-176.3	0	0	0	109.8	D173 G174 T175 F177 P233 A236 L238	L171-D173 WeakPolarHBondContact CB-OD1 3.39Å; L171-D173 PolarHBondContact O-N 2.91Å; L171-G174 PolarHBondContact O-N 3.32Å; L171-T175 PolarHBondContact N-O 3.37Å; L171-F177 HydrophobicContact CD2-CD1 4.03Å; L171-F177 HydrophobicContact CG-CD1 4.43Å; L171-P233 HydrophobicContact CD1-CG 4.35Å; L171-A236 HydrophobicContact CD2-CB 4.1Å; L171-L238 HydrophobicContact CD2-CD2 4.23Å
172	L	95.3	Very high	96.4	Very high	51 Å²	51	37.3 Å²	37.3	27%	0.267	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.4	-179.3	-165.6	60.6	0	0	0	113.5	V97 D134 V135 G174 T216 V239	V97-L172 HydrophobicContact CG1-CG 4.33Å; V97-L172 HydrophobicContact CG2-CD2 3.74Å; V97-L172 HydrophobicContact CG2-CG 4.06Å; D134-L172 WeakPolarHBondContact OD1-CD2 3.32Å; V135-L172 HydrophobicContact CG1-CD2 4.25Å; L172-G174 VanDerWaalsContact C-N 3.25Å; L172-G174 PolarHBondContact O-N 3.49Å; L172-T216 HydrophobicContact CD1-CG2 4.33Å; L172-V239 HydrophobicContact CD1-CG2 3.93Å
173	D	93.9	Very high	96.2	Very high	27 Å²	27	40.8 Å²	40.8	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.5	173.6	65.6	9.2	0	0	0	114	V97 N98 L171 T175	V97-D173 HydrophobicContact CG1-CB 4.1Å; N98-D173 PolarHBondContact ND2-O 3.29Å; N98-D173 WeakPolarHBondContact OD1-CB 3.41Å; L171-D173 WeakPolarHBondContact CB-OD1 3.39Å; L171-D173 PolarHBondContact O-N 2.91Å; D173-T175 VanDerWaalsContact CG-OG1 3.3Å; D173-T175 WeakPolarHBondContact OD1-CB 3.36Å; D173-T175 PolarHBondContact OD1-N 3.38Å; D173-T175 PolarHBondContact OD1-OG1 3.22Å; D173-T175 PolarHBondContact OD2-OG1 3.03Å
174	G	94.4	Very high	95.9	Very high	49 Å²	49	49 Å²	49	51%	0.505	26%	0.259	S	S	.	.			trans	93	0.2	-178.9	0	0	0	0	0	114.7	L171 L172 L176	L171-G174 PolarHBondContact O-N 3.32Å; L172-G174 VanDerWaalsContact C-N 3.25Å; L172-G174 PolarHBondContact O-N 3.49Å; G174-L176 PolarHBondContact O-N 3.3Å
175	T	95.5	Very high	95.7	Very high	75 Å²	75	55.1 Å²	55.1	46%	0.46	28%	0.282	S	S	.	.			trans	-63.3	116.6	174.8	-55	0	0	0	0	110.1	T170 L171 D173 F177	T170-T175 CarbonylContact C-O 3.57Å; T170-T175 WeakPolarHBondContact CA-O 3.43Å; T170-T175 WeakPolarHBondContact CB-O 3.26Å; L171-T175 PolarHBondContact N-O 3.37Å; D173-T175 VanDerWaalsContact CG-OG1 3.3Å; D173-T175 WeakPolarHBondContact OD1-CB 3.36Å; D173-T175 PolarHBondContact OD1-N 3.38Å; D173-T175 PolarHBondContact OD1-OG1 3.22Å; D173-T175 PolarHBondContact OD2-OG1 3.03Å; T175-F177 PolarHBondContact O-N 2.99Å
176	L	97.2	Very high	95.5	Very high	97 Å²	97	55.7 Å²	55.7	51%	0.508	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.9	176.1	-174.8	77.8	0	0	0	110.3	N168 G169 T170 G174 D178	N168-L176 HydrophobicContact CB-CD1 4.18Å; G169-L176 WeakPolarHBondContact O-CD1 3.4Å; T170-L176 HydrophobicContact CG2-CB 4.42Å; T170-L176 HydrophobicContact CG2-CD1 3.98Å; G174-L176 PolarHBondContact O-N 3.3Å; L176-D178 WeakPolarHBondContact CD1-O 3.35Å
177	F	96.2	Very high	95.4	Very high	32 Å²	32	58 Å²	58	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-28.2	173.4	66.7	-100.4	0	0	0	112.3	G169 T170 L171 T175 D231 I232 L238 F240	G169-F177 VanDerWaalsContact O-CD1 3.31Å; G169-F177 WeakPolarHBondContact O-CD1 3.4Å; G169-F177 PolarHBondContact O-N 3.05Å; T170-F177 WeakPolarHBondContact O-CE1 3.49Å; L171-F177 HydrophobicContact CD2-CD1 4.03Å; L171-F177 HydrophobicContact CG-CD1 4.43Å; T175-F177 PolarHBondContact O-N 2.99Å; F177-D231 HydrophobicContact CB-CB 4.1Å; F177-I232 HydrophobicContact CB-CG1 4.3Å; F177-I232 HydrophobicContact CD1-CG1 4.36Å; F177-I232 HydrophobicContact CD2-CD1 3.65Å; F177-I232 HydrophobicContact CD2-CG1 3.79Å; F177-I232 HydrophobicContact CE2-CD1 3.58Å; F177-I232 HydrophobicContact CE2-CG1 4.2Å; F177-I232 HydrophobicContact CG-CD1 4.21Å; F177-I232 HydrophobicContact CG-CG1 3.9Å; F177-I232 HydrophobicContact CZ-CD1 4.04Å; F177-L238 HydrophobicContact CE1-CD2 3.98Å; F177-L238 HydrophobicContact CZ-CD2 4.28Å; F177-F240 HydrophobicContact CE2-CE1 4.36Å; F177-F240 HydrophobicContact CE2-CZ 4.27Å; F177-F240 AromaticContact CZ-CE1 3.93Å; F177-F240 HydrophobicContact CZ-CE1 3.93Å; F177-F240 HydrophobicContact CZ-CE2 4.36Å; F177-F240 AromaticContact CZ-CZ 3.67Å; F177-F240 HydrophobicContact CZ-CZ 3.67Å
178	D	95.4	Very high	95.2	Very high	31 Å²	31	60 Å²	60	17%	0.166	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	152.6	179.2	-166.5	22.9	0	0	0	113.1	Y167 G169 L176 R183	Y167-D178 HydrophobicContact CE2-CB 4.22Å; Y167-D178 PolarHBondContact OH-OD2 3.17Å; G169-D178 PolarHBondContact N-O 2.9Å; G169-D178 PolarHBondContact O-N 3.44Å; L176-D178 WeakPolarHBondContact CD1-O 3.35Å; D178-R183 IonicContact OD1-CZ 2.98Å; D178-R183 IonicContact OD1-NE 2.76Å; D178-R183 PolarHBondContact OD1-NE 2.85Å; D178-R183 VanDerWaalsContact OD1-NE 3.16Å; D178-R183 IonicContact OD1-NH1 3.87Å; D178-R183 IonicContact OD1-NH2 3.46Å; D178-R183 PolarHBondContact OD1-NH2 2.71Å; D178-R183 IonicContact OD2-CZ 3.93Å; D178-R183 VanDerWaalsContact OD2-CZ 3.23Å; D178-R183 IonicContact OD2-NH1 3.78Å; D178-R183 PolarHBondContact OD2-NH1 2.72Å; D178-R183 IonicContact OD2-NH2 2.88Å; D178-R183 PolarHBondContact OD2-NH2 2.83Å
179	S	97.2	Very high	95.1	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	133.6	174.7	176.1	0	0	0	0	111.3	Y167 N168 H181 T182 R183	Y167-S179 PolarHBondContact O-OG 3.19Å; N168-S179 VanDerWaalsContact OD1-CB 3.31Å; N168-S179 WeakPolarHBondContact OD1-CB 3.4Å; N168-S179 PolarHBondContact OD1-OG 3.26Å; S179-H181 VanDerWaalsContact C-N 3.27Å; S179-H181 PolarHBondContact O-N 2.93Å; S179-H181 PolarHBondContact OG-N 2.89Å; S179-H181 VanDerWaalsContact OG-N 3.11Å; S179-T182 PolarHBondContact O-OG1 3.04Å; S179-R183 WeakPolarHBondContact O-CG 3.34Å
180	S	97.1	Very high	95	Very high	2 Å²	2	61 Å²	61	1%	0.014	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-29.7	170.2	64.4	0	0	0	0	112.3	H166 Y167 R183 M184 R185	H166-S180 VanDerWaalsContact CA-OG 3.22Å; H166-S180 WeakPolarHBondContact CA-OG 3.44Å; H166-S180 WeakPolarHBondContact CB-OG 3.42Å; H166-S180 WeakPolarHBondContact ND1-CB 3.31Å; H166-S180 PolarHBondContact ND1-OG 2.76Å; Y167-S180 PolarHBondContact N-OG 2.78Å; Y167-S180 PolarHBondContact O-N 2.8Å; Y167-S180 PolarHBondContact O-OG 2.86Å; S180-R183 PolarHBondContact O-N 2.85Å; S180-M184 PolarHBondContact O-N 2.85Å; S180-R185 CarbonylContact C-O 3.58Å; S180-R185 WeakPolarHBondContact CB-O 3.47Å; S180-R185 PolarHBondContact O-N 3.09Å
181	H	94.3	Very high	95	Very high	93 Å²	93	59.5 Å²	59.5	43%	0.431	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-39.2	-179.3	-65.6	-73.9	0	0	0	111.9	H166 S179 R183 M184	H166-H181 VanDerWaalsContact CB-CE1 3.45Å; H166-H181 WeakPolarHBondContact CB-CE1 3.41Å; H166-H181 WeakPolarHBondContact CB-NE2 3.36Å; H166-H181 AromaticContact CD2-CE1 3.63Å; H166-H181 AromaticContact CD2-ND1 3.93Å; H166-H181 AromaticContact CG-CE1 3.47Å; H166-H181 VanDerWaalsContact CG-CE1 3.47Å; H166-H181 AromaticContact CG-ND1 3.81Å; H166-H181 AromaticContact CG-NE2 3.97Å; H166-H181 AromaticContact ND1-ND1 3.95Å; S179-H181 VanDerWaalsContact C-N 3.27Å; S179-H181 PolarHBondContact O-N 2.93Å; S179-H181 PolarHBondContact OG-N 2.89Å; S179-H181 VanDerWaalsContact OG-N 3.11Å; H181-R183 PolarHBondContact O-N 3.05Å; H181-M184 PolarHBondContact O-N 2.98Å; H181-M184 VanDerWaalsContact O-N 3.07Å
182	T	93.8	Very high	94.8	Very high	101 Å²	101	60.5 Å²	60.5	62%	0.62	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.2	176.8	57.9	0	0	0	0	112.2	S179 M184	S179-T182 PolarHBondContact O-OG1 3.04Å; T182-M184 VanDerWaalsContact C-N 3.3Å
183	R	92.6	Very high	94.8	Very high	111 Å²	111	61.7 Å²	61.7	42%	0.419	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.5	174.3	-60.7	174.9	-176.1	179.7	-4.7	113.5	D178 S179 S180 H181 R185	D178-R183 IonicContact OD1-CZ 2.98Å; D178-R183 IonicContact OD1-NE 2.76Å; D178-R183 PolarHBondContact OD1-NE 2.85Å; D178-R183 VanDerWaalsContact OD1-NE 3.16Å; D178-R183 IonicContact OD1-NH1 3.87Å; D178-R183 IonicContact OD1-NH2 3.46Å; D178-R183 PolarHBondContact OD1-NH2 2.71Å; D178-R183 IonicContact OD2-CZ 3.93Å; D178-R183 VanDerWaalsContact OD2-CZ 3.23Å; D178-R183 IonicContact OD2-NH1 3.78Å; D178-R183 PolarHBondContact OD2-NH1 2.72Å; D178-R183 IonicContact OD2-NH2 2.88Å; D178-R183 PolarHBondContact OD2-NH2 2.83Å; S179-R183 WeakPolarHBondContact O-CG 3.34Å; S180-R183 PolarHBondContact O-N 2.85Å; H181-R183 PolarHBondContact O-N 3.05Å; R183-R185 HydrophobicContact CB-CG 4.01Å; R183-R185 PolarHBondContact O-N 2.93Å; R183-R185 VanDerWaalsContact O-N 3.1Å
184	M	89.8	Confident	94.7	Very high	174 Å²	174	63.2 Å²	63.2	86%	0.857	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	30.2	-176.9	-59.7	180	-73.1	0	0	113.5	S180 H181 T182	S180-M184 PolarHBondContact O-N 2.85Å; H181-M184 PolarHBondContact O-N 2.98Å; H181-M184 VanDerWaalsContact O-N 3.07Å; T182-M184 VanDerWaalsContact C-N 3.3Å
185	R	91.2	Very high	94.6	Very high	167 Å²	167	69.4 Å²	69.4	63%	0.63	35%	0.346	S	S	*	.	S	Bend	trans	-146.8	152.4	176.6	68.5	179.2	-176	178	1.1	109.9	H166 S180 R183	H166-R185 PolarHBondContact CE1-O 3.47Å; S180-R185 CarbonylContact C-O 3.58Å; S180-R185 WeakPolarHBondContact CB-O 3.47Å; S180-R185 PolarHBondContact O-N 3.09Å; R183-R185 HydrophobicContact CB-CG 4.01Å; R183-R185 PolarHBondContact O-N 2.93Å; R183-R185 VanDerWaalsContact O-N 3.1Å
186	T	94.2	Very high	94.6	Very high	17 Å²	17	66.8 Å²	66.8	10%	0.104	33%	0.329	C	S	.	.			trans	-74.5	167.2	174.2	48.6	0	0	0	0	111.1	R164 D188 L245	R164-T186 WeakPolarHBondContact CD-OG1 3.39Å; R164-T186 HydrophobicContact CG-CG2 3.7Å; R164-T186 WeakPolarHBondContact CG-OG1 2.87Å; R164-T186 PolarHBondContact NE-OG1 3.25Å; T186-D188 WeakPolarHBondContact CB-OD1 3.17Å; T186-D188 PolarHBondContact OG1-OD1 2.99Å; T186-L245 HydrophobicContact CG2-CD1 3.58Å
187	Y	95.6	Very high	94.6	Very high	84 Å²	84	63.9 Å²	63.9	33%	0.329	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.5	163.6	-160.8	-80.4	0	0	0	108.4	Y165 Y167 T189 L196	Y165-Y187 WeakPolarHBondContact CD1-O 3.45Å; Y165-Y187 AromaticContact CE1-CD1 3.85Å; Y165-Y187 HydrophobicContact CE1-CD1 3.85Å; Y165-Y187 HydrophobicContact CE1-CG 4.43Å; Y165-Y187 AromaticContact CZ-CD1 3.71Å; Y165-Y187 PolarHBondContact N-O 2.86Å; Y165-Y187 PolarHBondContact O-N 3.47Å; Y165-Y187 VanDerWaalsContact OH-CD1 3.3Å; Y165-Y187 WeakPolarHBondContact OH-CD1 3.47Å; Y167-Y187 AromaticContact CE1-CD2 3.95Å; Y167-Y187 HydrophobicContact CE1-CD2 3.95Å; Y167-Y187 HydrophobicContact CE1-CG 4.16Å; Y187-T189 HydrophobicContact CD1-CG2 3.99Å; Y187-T189 HydrophobicContact CE1-CG2 3.88Å; Y187-L196 HydrophobicContact CD1-CD2 4.42Å; Y187-L196 HydrophobicContact CE1-CD2 3.55Å
188	D	94.8	Very high	94.6	Very high	54 Å²	54	64.4 Å²	64.4	29%	0.289	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.1	-171.7	-51.1	-3.5	0	0	0	107.9	Y162 V163 R164 T186	Y162-D188 HydrophobicContact CE1-CB 3.87Å; Y162-D188 WeakPolarHBondContact OH-CB 3.19Å; V163-D188 VanDerWaalsContact O-CA 3.3Å; V163-D188 WeakPolarHBondContact O-CA 3.4Å; R164-D188 VanDerWaalsContact CG-OD1 3.28Å; R164-D188 WeakPolarHBondContact CG-OD1 3.46Å; R164-D188 IonicContact NE-OD1 2.96Å; T186-D188 WeakPolarHBondContact CB-OD1 3.17Å; T186-D188 PolarHBondContact OG1-OD1 2.99Å
189	T	95.6	Very high	94.7	Very high	8 Å²	8	63 Å²	63	5%	0.049	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	168.8	-171	-167.9	0	0	0	0	112	Y162 V163 Y165 Y187 L196	Y162-T189 CarbonylContact C-O 3.56Å; Y162-T189 WeakPolarHBondContact CA-O 3.26Å; V163-T189 HydrophobicContact CG2-CG2 4.07Å; V163-T189 PolarHBondContact N-O 3.02Å; V163-T189 PolarHBondContact O-N 3.08Å; V163-T189 VanDerWaalsContact O-N 3.1Å; Y165-T189 HydrophobicContact CE1-CG2 4.11Å; Y187-T189 HydrophobicContact CD1-CG2 3.99Å; Y187-T189 HydrophobicContact CE1-CG2 3.88Å; T189-L196 HydrophobicContact CG2-CD1 3.82Å; T189-L196 HydrophobicContact CG2-CD2 3.96Å; T189-L196 HydrophobicContact CG2-CG 4.01Å
190	Y	96	Very high	94.8	Very high	66 Å²	66	63 Å²	63	26%	0.259	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.5	167.4	-65.9	-80.3	0	0	0	111.6	D161 Y162 I193 P250	D161-Y190 CarbonylContact O-C 3.53Å; D161-Y190 VanDerWaalsContact O-CA 3.3Å; D161-Y190 WeakPolarHBondContact O-CA 3.5Å; Y162-Y190 HydrophobicContact CD2-CD1 4.05Å; Y162-Y190 HydrophobicContact CD2-CD2 4.02Å; Y162-Y190 AromaticContact CD2-CE1 3.8Å; Y162-Y190 HydrophobicContact CD2-CE1 3.8Å; Y162-Y190 AromaticContact CD2-CE2 3.76Å; Y162-Y190 HydrophobicContact CD2-CE2 3.76Å; Y162-Y190 HydrophobicContact CD2-CG 4.15Å; Y162-Y190 AromaticContact CD2-CZ 3.65Å; Y162-Y190 HydrophobicContact CE2-CD2 4.48Å; Y162-Y190 HydrophobicContact CE2-CE2 4.14Å; Y162-Y190 HydrophobicContact CG-CE1 4.37Å; Y190-I193 HydrophobicContact CD2-CD1 4.27Å; Y190-I193 HydrophobicContact CG-CD1 3.85Å; Y190-P250 HydrophobicContact CE1-CG 3.62Å
191	V	97.2	Very high	94.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-101.1	137.3	-179.8	-175.5	0	0	0	0	111.4	V157 S160 D161 V163 I193 L204 L205	V157-V191 HydrophobicContact CG1-CB 3.93Å; V157-V191 HydrophobicContact CG1-CG1 3.94Å; V157-V191 HydrophobicContact CG1-CG2 3.91Å; S160-V191 PolarHBondContact N-O 2.92Å; D161-V191 PolarHBondContact O-N 3.03Å; V163-V191 HydrophobicContact CB-CG2 4.15Å; V163-V191 HydrophobicContact CG1-CG2 3.67Å; V163-V191 HydrophobicContact CG2-CG2 3.36Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 PolarHBondContact O-N 3.07Å; V191-L204 HydrophobicContact CG1-CB 3.99Å; V191-L204 HydrophobicContact CG2-CB 4.25Å; V191-L204 HydrophobicContact CG2-CD1 4.12Å; V191-L205 HydrophobicContact CG1-CD2 3.87Å; V191-L205 HydrophobicContact CG1-CG 3.97Å
192	G	93.9	Very high	95	Very high	28 Å²	28	63.6 Å²	63.6	29%	0.289	32%	0.319	S	S	.	.	S	Bend	trans	79.2	14.1	169.2	0	0	0	0	0	114.5	D201	G192-D201 PolarHBondContact N-OD1 2.98Å
193	I	94	Very high	95.1	Very high	77 Å²	77	58.8 Å²	58.8	40%	0.395	29%	0.29	S	S	.	.	S	Bend	trans	-115	10.2	177.7	65.3	160.5	0	0	0	113	V159 Y190 V191 W195	V159-I193 HydrophobicContact CG1-CG2 4.35Å; Y190-I193 HydrophobicContact CD2-CD1 4.27Å; Y190-I193 HydrophobicContact CG-CD1 3.85Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 PolarHBondContact O-N 3.07Å; I193-W195 VanDerWaalsContact CD1-CD1 3.48Å; I193-W195 HydrophobicContact CD1-CG 4.17Å; I193-W195 HydrophobicContact CG1-CG 4.17Å
194	G	93.4	Very high	95.4	Very high	59 Å²	59	53.5 Å²	53.5	61%	0.608	27%	0.27	S	S	*	.	S	Bend	trans	84.1	18.4	174.7	0	0	0	0	0	115.3	D201	G194-D201 VanDerWaalsContact CA-OD2 3.27Å; G194-D201 WeakPolarHBondContact CA-OD2 3.37Å; G194-D201 PolarHBondContact N-OD2 3.3Å
195	W	92.3	Very high	95.8	Very high	178 Å²	178	47.9 Å²	47.9	67%	0.674	24%	0.243	S	C	*	.	S	Bend	trans	-84.9	-20.7	176.2	-78.8	50.4	0	0	0	112.7	I193	I193-W195 VanDerWaalsContact CD1-CD1 3.48Å; I193-W195 HydrophobicContact CD1-CG 4.17Å; I193-W195 HydrophobicContact CG1-CG 4.17Å
196	L	95.4	Very high	96	Very high	21 Å²	21	41.1 Å²	41.1	11%	0.11	23%	0.226	C	C	.	.	S	Bend	trans	-102.4	165.9	174.9	-65.2	176.3	0	0	0	110.9	Y187 T189 A198 M200 D201 L204	Y187-L196 HydrophobicContact CD1-CD2 4.42Å; Y187-L196 HydrophobicContact CE1-CD2 3.55Å; T189-L196 HydrophobicContact CG2-CD1 3.82Å; T189-L196 HydrophobicContact CG2-CD2 3.96Å; T189-L196 HydrophobicContact CG2-CG 4.01Å; L196-A198 PolarHBondContact O-N 2.97Å; L196-M200 HydrophobicContact CB-CB 4.06Å; L196-M200 HydrophobicContact CD1-CB 4.06Å; L196-D201 HydrophobicContact CB-CB 4.48Å; L196-L204 HydrophobicContact CD1-CD1 3.5Å; L196-L204 VanDerWaalsContact CD1-CD1 3.5Å
197	I	96.6	Very high	96.2	Very high	35 Å²	35	40.3 Å²	40.3	18%	0.179	22%	0.221	C	C	.	.			trans	-55.4	140.7	161.3	60.5	179.7	0	0	0	109.2	G199 M200 D201 M217 Y223 L238 F240	I197-G199 PolarHBondContact O-N 2.88Å; I197-M200 HydrophobicContact CD1-CG 3.84Å; I197-M200 HydrophobicContact CG1-CB 3.85Å; I197-M200 HydrophobicContact CG1-CG 3.6Å; I197-M200 PolarHBondContact O-N 3.03Å; I197-D201 PolarHBondContact O-N 3.17Å; I197-D201 VanDerWaalsContact O-N 3.11Å; I197-M217 HydrophobicContact CD1-CE 4.47Å; I197-M217 HydrophobicContact CD1-SD 3.59Å; I197-M217 VanDerWaalsContact CD1-SD 3.59Å; I197-M217 HydrophobicContact CG1-SD 4.19Å; I197-Y223 HydrophobicContact CD1-CE2 4.41Å; I197-Y223 HydrophobicContact CG2-CE1 4.33Å; I197-Y223 HydrophobicContact CG2-CE2 4.42Å; I197-L238 HydrophobicContact CD1-CD1 3.87Å; I197-F240 HydrophobicContact CD1-CE2 3.89Å; I197-F240 HydrophobicContact CD1-CZ 4.11Å
198	A	97.3	Very high	96.2	Very high	44 Å²	44	36.5 Å²	36.5	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-54.3	-34.5	-169.2	0	0	0	0	0	113.1	L196 Q202 L221	L196-A198 PolarHBondContact O-N 2.97Å; A198-Q202 VanDerWaalsContact O-CG 3.29Å; A198-Q202 WeakPolarHBondContact O-CG 3.46Å; A198-Q202 PolarHBondContact O-N 2.77Å; A198-L221 HydrophobicContact CB-CD2 3.98Å; A198-L221 PolarHBondContact N-O 2.73Å
199	G	97.5	Very high	96.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70	-32.1	178.4	0	0	0	0	0	114.5	I197 G203 L221	I197-G199 PolarHBondContact O-N 2.88Å; G199-G203 PolarHBondContact O-N 2.86Å; G199-L221 PolarHBondContact N-O 3.46Å
200	M	98.1	Very high	96.2	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-75.3	-40.8	173.6	-74.3	-60.2	-65.3	0	0	111.5	Y165 L196 I197 Q202 G203 L204 I215 M217 F240 V242	Y165-M200 HydrophobicContact CE2-CE 4.02Å; L196-M200 HydrophobicContact CB-CB 4.06Å; L196-M200 HydrophobicContact CD1-CB 4.06Å; I197-M200 HydrophobicContact CD1-CG 3.84Å; I197-M200 HydrophobicContact CG1-CB 3.85Å; I197-M200 HydrophobicContact CG1-CG 3.6Å; I197-M200 PolarHBondContact O-N 3.03Å; M200-Q202 VanDerWaalsContact C-N 3.25Å; M200-Q202 PolarHBondContact O-N 3.24Å; M200-G203 PolarHBondContact O-N 3.09Å; M200-G203 VanDerWaalsContact O-N 3.17Å; M200-L204 HydrophobicContact CE-CD1 4.2Å; M200-L204 HydrophobicContact CE-CD2 4.21Å; M200-L204 HydrophobicContact CE-CG 4.14Å; M200-L204 WeakPolarHBondContact O-CB 3.43Å; M200-L204 WeakPolarHBondContact O-CG 3.08Å; M200-L204 PolarHBondContact O-N 2.98Å; M200-I215 HydrophobicContact CE-CD1 4.18Å; M200-I215 HydrophobicContact SD-CD1 4.05Å; M200-I215 HydrophobicContact SD-CG2 4.43Å; M200-M217 HydrophobicContact CG-CE 3.94Å; M200-M217 HydrophobicContact SD-CE 3.86Å; M200-F240 HydrophobicContact CE-CB 4.4Å; M200-F240 HydrophobicContact CE-CG 4.33Å; M200-F240 HydrophobicContact CG-CD2 4.18Å; M200-F240 HydrophobicContact CG-CE2 4.11Å; M200-F240 HydrophobicContact CG-CZ 4.47Å; M200-F240 HydrophobicContact SD-CB 3.78Å; M200-F240 HydrophobicContact SD-CD1 4.11Å; M200-F240 HydrophobicContact SD-CD2 3.45Å; M200-F240 WeakPolarHBondContact SD-CD2 3.49Å; M200-F240 HydrophobicContact SD-CE2 3.98Å; M200-F240 HydrophobicContact SD-CG 3.51Å; M200-F240 VanDerWaalsContact SD-CG 3.51Å; M200-V242 HydrophobicContact CE-CG2 4.04Å
201	D	97.1	Very high	96.3	Very high	16 Å²	16	32.6 Å²	32.6	9%	0.086	19%	0.194	C	C	.	.	H	α-helix	trans	-55.6	-43	173	-106	2.2	0	0	0	111.2	G192 G194 L196 I197 L205	G192-D201 PolarHBondContact N-OD1 2.98Å; G194-D201 VanDerWaalsContact CA-OD2 3.27Å; G194-D201 WeakPolarHBondContact CA-OD2 3.37Å; G194-D201 PolarHBondContact N-OD2 3.3Å; L196-D201 HydrophobicContact CB-CB 4.48Å; I197-D201 PolarHBondContact O-N 3.17Å; I197-D201 VanDerWaalsContact O-N 3.11Å; D201-L205 WeakPolarHBondContact O-CG 3.02Å
202	Q	97.8	Very high	96.3	Very high	90 Å²	90	36.6 Å²	36.6	42%	0.421	21%	0.212	S	C	.	.	H	α-helix	trans	-71.9	-40.9	175.3	-69.2	172.7	29.7	0	0	112.8	V142 A198 M200	V142-Q202 HydrophobicContact CG2-CB 4.3Å; A198-Q202 VanDerWaalsContact O-CG 3.29Å; A198-Q202 WeakPolarHBondContact O-CG 3.46Å; A198-Q202 PolarHBondContact O-N 2.77Å; M200-Q202 VanDerWaalsContact C-N 3.25Å; M200-Q202 PolarHBondContact O-N 3.24Å
203	G	97.5	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-73.7	-29.7	-171.6	0	0	0	0	0	115	G199 M200 R213	G199-G203 PolarHBondContact O-N 2.86Å; M200-G203 PolarHBondContact O-N 3.09Å; M200-G203 VanDerWaalsContact O-N 3.17Å; G203-R213 PolarHBondContact O-NH1 2.96Å
204	L	98.2	Very high	96.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-78.7	-23.8	178.6	-69	173.2	0	0	0	113.1	V157 V163 Y165 V191 L196 M200 G206 M207 I215 V242	V157-L204 WeakPolarHBondContact CB-O 3.32Å; V163-L204 HydrophobicContact CG2-CD1 4.5Å; Y165-L204 HydrophobicContact CD1-CD1 4.34Å; Y165-L204 HydrophobicContact CD1-CD2 4.46Å; Y165-L204 HydrophobicContact CE1-CD1 3.73Å; Y165-L204 HydrophobicContact CE1-CD2 4.49Å; V191-L204 HydrophobicContact CG1-CB 3.99Å; V191-L204 HydrophobicContact CG2-CB 4.25Å; V191-L204 HydrophobicContact CG2-CD1 4.12Å; L196-L204 HydrophobicContact CD1-CD1 3.5Å; L196-L204 VanDerWaalsContact CD1-CD1 3.5Å; M200-L204 HydrophobicContact CE-CD1 4.2Å; M200-L204 HydrophobicContact CE-CD2 4.21Å; M200-L204 HydrophobicContact CE-CG 4.14Å; M200-L204 WeakPolarHBondContact O-CB 3.43Å; M200-L204 WeakPolarHBondContact O-CG 3.08Å; M200-L204 PolarHBondContact O-N 2.98Å; L204-G206 PolarHBondContact O-N 3.23Å; L204-M207 HydrophobicContact CD2-SD 3.82Å; L204-M207 WeakPolarHBondContact O-CB 3.48Å; L204-M207 WeakPolarHBondContact O-CG 3.28Å; L204-M207 PolarHBondContact O-N 2.77Å; L204-I215 HydrophobicContact CD2-CD1 4.28Å; L204-I215 HydrophobicContact CG-CD1 4.47Å; L204-V242 HydrophobicContact CD2-CG1 3.84Å
205	L	97.7	Very high	97	Very high	55 Å²	55	32.1 Å²	32.1	29%	0.288	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	140	179.4	-73.8	168.5	0	0	0	111.2	V157 V159 V191 D201 M207 R213	V157-L205 HydrophobicContact CG1-CD2 4.46Å; V159-L205 HydrophobicContact CG2-CD2 4.08Å; V191-L205 HydrophobicContact CG1-CD2 3.87Å; V191-L205 HydrophobicContact CG1-CG 3.97Å; D201-L205 WeakPolarHBondContact O-CG 3.02Å; L205-M207 PolarHBondContact O-N 2.91Å; L205-R213 PolarHBondContact O-NH1 2.8Å
206	G	96.8	Very high	97.3	Very high	26 Å²	26	25.6 Å²	25.6	27%	0.268	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	6.3	179.1	0	0	0	0	0	115.2	V157 L204	V157-G206 PolarHBondContact O-N 3.44Å; L204-G206 PolarHBondContact O-N 3.23Å
207	M	97.4	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-71.1	148.3	172.7	-72.8	-172.9	72.9	0	0	111.8	K156 V157 L204 L205 E211 R213 V242 L244	K156-M207 WeakPolarHBondContact CA-O 3.47Å; V157-M207 HydrophobicContact CG2-CB 4.09Å; V157-M207 WeakPolarHBondContact CG2-O 3.3Å; V157-M207 PolarHBondContact N-O 2.99Å; L204-M207 HydrophobicContact CD2-SD 3.82Å; L204-M207 WeakPolarHBondContact O-CB 3.48Å; L204-M207 WeakPolarHBondContact O-CG 3.28Å; L204-M207 PolarHBondContact O-N 2.77Å; L205-M207 PolarHBondContact O-N 2.91Å; M207-E211 VanDerWaalsContact CA-OE2 3.31Å; M207-E211 WeakPolarHBondContact CA-OE2 2.99Å; M207-E211 HydrophobicContact CE-CB 4.17Å; M207-E211 HydrophobicContact CE-CG 4.36Å; M207-R213 HydrophobicContact CE-CB 3.89Å; M207-R213 HydrophobicContact SD-CB 4.35Å; M207-V242 HydrophobicContact CE-CG1 4.11Å; M207-V242 HydrophobicContact SD-CG1 4.31Å; M207-L244 HydrophobicContact CB-CD2 3.88Å; M207-L244 HydrophobicContact CE-CB 4.06Å
208	C	95.8	Very high	97.4	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.027	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-97.9	150.4	170.3	-52.9	0	0	0	0	111	P150 C153 G210 E211	P150-C208 HydrophobicContact CG-CB 3.99Å; C153-C208 HydrophobicContact CB-CB 3.67Å; C153-C208 WeakPolarHBondContact CB-SG 3.42Å; C153-C208 WeakPolarHBondContact SG-CB 3.29Å; C153-C208 CovalentContact SG-SG 2.02Å; C153-C208 PolarHBondContact SG-SG 3.43Å; C208-G210 PolarHBondContact O-N 2.89Å; C208-E211 HydrophobicContact CB-CB 4.2Å; C208-E211 PolarHBondContact N-OE2 3.48Å; C208-E211 WeakPolarHBondContact O-CB 3.23Å; C208-E211 PolarHBondContact O-N 2.99Å
209	V	95.8	Very high	97.4	Very high	24 Å²	24	21.1 Å²	21.1	15%	0.145	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	123.8	175	173.3	0	0	0	0	110.2	P150 L244 L245 L247 L284 D285	P150-V209 VanDerWaalsContact CG-O 3.31Å; P150-V209 WeakPolarHBondContact CG-O 3.48Å; V209-L244 HydrophobicContact CG2-CD2 4.22Å; V209-L244 HydrophobicContact CG2-CG 4.46Å; V209-L245 VanDerWaalsContact CG1-O 3.24Å; V209-L245 WeakPolarHBondContact CG1-O 3.29Å; V209-L247 HydrophobicContact CG2-CB 3.58Å; V209-L284 HydrophobicContact CB-CG 4.4Å; V209-L284 HydrophobicContact CG1-CB 4.29Å; V209-L284 HydrophobicContact CG1-CD2 4.5Å; V209-L284 HydrophobicContact CG1-CG 4.07Å; V209-L284 HydrophobicContact CG2-CD2 3.76Å; V209-L284 HydrophobicContact CG2-CG 4.17Å; V209-D285 HydrophobicContact CG1-CB 4.13Å
210	G	94.9	Very high	97.3	Very high	17 Å²	17	24.9 Å²	24.9	18%	0.175	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	-11.3	-170.9	0	0	0	0	0	114.1	Y148 C208 L244	Y148-G210 VanDerWaalsContact CD1-O 3.27Å; Y148-G210 WeakPolarHBondContact CD1-O 3.48Å; Y148-G210 VanDerWaalsContact CE1-O 3.26Å; Y148-G210 WeakPolarHBondContact CE1-O 3.32Å; C208-G210 PolarHBondContact O-N 2.89Å; G210-L244 WeakPolarHBondContact CA-O 3.37Å; G210-L244 PolarHBondContact N-O 2.74Å
211	E	97.3	Very high	97.3	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.023	15%	0.15	C	C	.	.			trans	-65.1	142.1	177.6	-169.2	-174.9	143.2	0	0	111.5	T146 Y148 M207 C208 R213 V243 L244	T146-E211 HydrophobicContact CG2-CG 3.66Å; T146-E211 WeakPolarHBondContact CG2-OE1 3.38Å; T146-E211 PolarHBondContact OG1-OE1 2.02Å; Y148-E211 WeakPolarHBondContact O-CA 3.47Å; Y148-E211 WeakPolarHBondContact O-CG 3.23Å; M207-E211 VanDerWaalsContact CA-OE2 3.31Å; M207-E211 WeakPolarHBondContact CA-OE2 2.99Å; M207-E211 HydrophobicContact CE-CB 4.17Å; M207-E211 HydrophobicContact CE-CG 4.36Å; C208-E211 HydrophobicContact CB-CB 4.2Å; C208-E211 PolarHBondContact N-OE2 3.48Å; C208-E211 WeakPolarHBondContact O-CB 3.23Å; C208-E211 PolarHBondContact O-N 2.99Å; E211-R213 IonicContact OE1-CZ 3.45Å; E211-R213 IonicContact OE1-NE 3.97Å; E211-R213 PolarHBondContact OE1-NE 2.84Å; E211-R213 IonicContact OE1-NH2 3.81Å; E211-R213 PolarHBondContact OE1-NH2 3.13Å; E211-R213 IonicContact OE2-NH2 2.71Å; E211-V243 WeakPolarHBondContact O-CA 3.41Å; E211-L244 PolarHBondContact O-N 2.74Å; E211-L244 VanDerWaalsContact O-N 3.13Å
212	K	98.2	Very high	97.3	Very high	84 Å²	84	26.3 Å²	26.3	37%	0.365	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.1	169.7	-48.3	-179.1	-179.9	178.9	0	112.1	Y147 Y148 V242 V243	Y147-K212 HydrophobicContact CD1-CB 4.43Å; Y147-K212 HydrophobicContact CD2-CB 4.24Å; Y147-K212 HydrophobicContact CE1-CB 3.79Å; Y147-K212 HydrophobicContact CE2-CB 3.56Å; Y147-K212 HydrophobicContact CE2-CD 3.81Å; Y147-K212 HydrophobicContact CE2-CG 4.33Å; Y147-K212 PolarHBondContact N-O 2.76Å; Y147-K212 WeakPolarHBondContact OH-CB 3.45Å; Y148-K212 HydrophobicContact CD1-CD 4.44Å; Y148-K212 HydrophobicContact CD1-CG 4.04Å; Y148-K212 PolarHBondContact N-O 2.84Å; Y148-K212 PolarHBondContact O-N 3.13Å; K212-V242 CarbonylContact C-O 3.58Å; K212-V242 VanDerWaalsContact CA-O 3.23Å; K212-V242 WeakPolarHBondContact CA-O 3.12Å; K212-V243 HydrophobicContact CG-CB 4.02Å; K212-V243 HydrophobicContact CG-CG2 3.9Å
213	R	98.1	Very high	97.2	Very high	19 Å²	19	26 Å²	26	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	140.2	-171.8	-178.3	-174	-68.5	-177.9	2.9	110.9	M144 K145 T146 G203 L205 M207 E211 I215 V242	M144-R213 HydrophobicContact CB-CG 4.46Å; M144-R213 PolarHBondContact SD-NH1 2.97Å; K145-R213 WeakPolarHBondContact O-CA 3.23Å; T146-R213 PolarHBondContact OG1-NE 2.95Å; G203-R213 PolarHBondContact O-NH1 2.96Å; L205-R213 PolarHBondContact O-NH1 2.8Å; M207-R213 HydrophobicContact CE-CB 3.89Å; M207-R213 HydrophobicContact SD-CB 4.35Å; E211-R213 IonicContact OE1-CZ 3.45Å; E211-R213 IonicContact OE1-NE 3.97Å; E211-R213 PolarHBondContact OE1-NE 2.84Å; E211-R213 IonicContact OE1-NH2 3.81Å; E211-R213 PolarHBondContact OE1-NH2 3.13Å; E211-R213 IonicContact OE2-NH2 2.71Å; R213-I215 HydrophobicContact CG-CG1 4.29Å; R213-V242 PolarHBondContact N-O 2.84Å; R213-V242 PolarHBondContact O-N 2.87Å
214	I	98.4	Very high	97.1	Very high	51 Å²	51	27 Å²	27	26%	0.262	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.7	168	-61.7	168.8	0	0	0	108.5	M144 K145 Y147 V239 F240	M144-I214 CarbonylContact C-O 3.54Å; M144-I214 WeakPolarHBondContact CA-O 3.38Å; K145-I214 HydrophobicContact CB-CB 4.39Å; K145-I214 PolarHBondContact N-O 3.26Å; K145-I214 PolarHBondContact O-N 2.83Å; Y147-I214 HydrophobicContact CD1-CD1 4.32Å; Y147-I214 HydrophobicContact CD1-CG1 4.07Å; Y147-I214 HydrophobicContact CE1-CD1 4.43Å; Y147-I214 HydrophobicContact CE1-CG1 3.93Å; I214-V239 HydrophobicContact CG2-CG1 3.63Å; I214-F240 CarbonylContact C-O 3.46Å; I214-F240 VanDerWaalsContact CA-O 3.32Å; I214-F240 WeakPolarHBondContact CA-O 3.32Å
215	I	98.5	Very high	96.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.3	176.9	-56.4	166.2	0	0	0	107.7	V142 Q143 M200 L204 R213 M217 V239 F240 V242	V142-I215 HydrophobicContact CG1-CG2 3.72Å; Q143-I215 WeakPolarHBondContact O-CA 3.31Å; M200-I215 HydrophobicContact CE-CD1 4.18Å; M200-I215 HydrophobicContact SD-CD1 4.05Å; M200-I215 HydrophobicContact SD-CG2 4.43Å; L204-I215 HydrophobicContact CD2-CD1 4.28Å; L204-I215 HydrophobicContact CG-CD1 4.47Å; R213-I215 HydrophobicContact CG-CG1 4.29Å; I215-M217 HydrophobicContact CG2-CE 3.65Å; I215-V239 CarbonylContact O-C 3.59Å; I215-V239 WeakPolarHBondContact O-CA 3.41Å; I215-F240 HydrophobicContact CB-CB 4.43Å; I215-F240 PolarHBondContact N-O 3.24Å; I215-F240 PolarHBondContact O-N 3.39Å; I215-V242 HydrophobicContact CD1-CG2 3.98Å
216	T	97.9	Very high	96.6	Very high	40 Å²	40	33.5 Å²	33.5	25%	0.245	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.8	176.7	-57.1	0	0	0	0	109.6	V142 Q143 L172 L238 V239	V142-T216 WeakPolarHBondContact CA-O 3.43Å; Q143-T216 PolarHBondContact N-O 3.02Å; Q143-T216 PolarHBondContact O-N 3.36Å; L172-T216 HydrophobicContact CD1-CG2 4.33Å; T216-L238 CarbonylContact C-O 3.51Å; T216-L238 WeakPolarHBondContact CA-O 3.27Å; T216-V239 HydrophobicContact CG2-CG2 4.07Å
217	M	97.9	Very high	96.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.4	-177.3	67.9	-161.3	67.7	0	0	112.4	V142 I197 M200 I215 L221 S237 L238 F240	V142-M217 HydrophobicContact CG2-CB 3.97Å; I197-M217 HydrophobicContact CD1-CE 4.47Å; I197-M217 HydrophobicContact CD1-SD 3.59Å; I197-M217 VanDerWaalsContact CD1-SD 3.59Å; I197-M217 HydrophobicContact CG1-SD 4.19Å; M200-M217 HydrophobicContact CG-CE 3.94Å; M200-M217 HydrophobicContact SD-CE 3.86Å; I215-M217 HydrophobicContact CG2-CE 3.65Å; M217-L221 HydrophobicContact CB-CB 4.25Å; M217-S237 WeakPolarHBondContact O-CA 3.41Å; M217-L238 HydrophobicContact CG-CB 3.96Å; M217-L238 HydrophobicContact CG-CD1 4.49Å; M217-L238 HydrophobicContact CG-CG 4.46Å; M217-L238 PolarHBondContact N-O 2.92Å; M217-L238 PolarHBondContact O-N 2.96Å; M217-L238 HydrophobicContact SD-CB 4.4Å; M217-L238 HydrophobicContact SD-CD1 4.27Å; M217-F240 HydrophobicContact CE-CD2 3.65Å; M217-F240 HydrophobicContact CE-CE2 3.9Å; M217-F240 HydrophobicContact SD-CE2 4.26Å
218	P	97.3	Very high	96.3	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.032	21%	0.214	C	C	.	.			trans	-70.7	165.9	171.9	32.9	-37.1	0	0	0	110.9	W136 D140 S220 L221 G222	W136-P218 HydrophobicContact CB-CB 4.45Å; D140-P218 HydrophobicContact CB-CB 4.09Å; D140-P218 HydrophobicContact CB-CG 4.05Å; P218-S220 PolarHBondContact O-N 2.97Å; P218-S220 VanDerWaalsContact O-N 3.16Å; P218-L221 HydrophobicContact CG-CB 4.47Å; P218-L221 HydrophobicContact CG-CD1 4.14Å; P218-L221 HydrophobicContact CG-CG 4.28Å; P218-L221 PolarHBondContact O-N 2.82Å; P218-G222 PolarHBondContact O-N 2.9Å
219	P	96.9	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-58.8	-34.3	-176.4	-20.2	28.8	0	0	0	113.4	W136 L221 G222 G224 Q235 A236	W136-P219 HydrophobicContact CD2-CG 3.98Å; W136-P219 HydrophobicContact CG-CG 4.19Å; W136-P219 HydrophobicContact CZ2-CG 3.96Å; W136-P219 VanDerWaalsContact NE1-CG 3.35Å; P219-L221 PolarHBondContact O-N 2.93Å; P219-L221 VanDerWaalsContact O-N 3.14Å; P219-G222 CarbonylContact O-C 3.59Å; P219-G222 PolarHBondContact O-N 3.3Å; P219-G224 WeakPolarHBondContact O-CA 3.4Å; P219-G224 PolarHBondContact O-N 2.69Å; P219-Q235 HydrophobicContact CG-CB 4.44Å; P219-Q235 VanDerWaalsContact CG-O 3.22Å; P219-Q235 WeakPolarHBondContact CG-O 3.36Å; P219-A236 WeakPolarHBondContact CG-O 3.49Å
220	S	96.1	Very high	95.6	Very high	80 Å²	80	44.2 Å²	44.2	56%	0.559	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-60.1	-22.4	178.7	54.5	0	0	0	0	114.1	P218	P218-S220 PolarHBondContact O-N 2.97Å; P218-S220 VanDerWaalsContact O-N 3.16Å
221	L	97.4	Very high	95.5	Very high	32 Å²	32	48.1 Å²	48.1	17%	0.168	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-106.5	0	177	-62	176.5	0	0	0	112.5	V142 A198 G199 M217 P218 P219	V142-L221 HydrophobicContact CG2-CB 4.43Å; V142-L221 HydrophobicContact CG2-CD1 3.61Å; A198-L221 HydrophobicContact CB-CD2 3.98Å; A198-L221 PolarHBondContact N-O 2.73Å; G199-L221 PolarHBondContact N-O 3.46Å; M217-L221 HydrophobicContact CB-CB 4.25Å; P218-L221 HydrophobicContact CG-CB 4.47Å; P218-L221 HydrophobicContact CG-CD1 4.14Å; P218-L221 HydrophobicContact CG-CG 4.28Å; P218-L221 PolarHBondContact O-N 2.82Å; P219-L221 PolarHBondContact O-N 2.93Å; P219-L221 VanDerWaalsContact O-N 3.14Å
222	G	96.6	Very high	95.4	Very high	18 Å²	18	48.2 Å²	48.2	19%	0.186	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-119.9	172.8	0	0	0	0	0	111.6	P218 P219	P218-G222 PolarHBondContact O-N 2.9Å; P219-G222 CarbonylContact O-C 3.59Å; P219-G222 PolarHBondContact O-N 3.3Å
223	Y	96.4	Very high	95.2	Very high	85 Å²	85	46.3 Å²	46.3	33%	0.333	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	5.3	-176.5	-65	-83.3	0	0	0	114.8	I197 G227 D228 I232 L238	I197-Y223 HydrophobicContact CD1-CE2 4.41Å; I197-Y223 HydrophobicContact CG2-CE1 4.33Å; I197-Y223 HydrophobicContact CG2-CE2 4.42Å; Y223-G227 PolarHBondContact O-N 3.48Å; Y223-D228 HydrophobicContact CD1-CB 3.58Å; Y223-D228 HydrophobicContact CD2-CB 4.3Å; Y223-D228 HydrophobicContact CE1-CB 3.68Å; Y223-D228 VanDerWaalsContact CE1-OD2 3.28Å; Y223-D228 WeakPolarHBondContact CE1-OD2 3.43Å; Y223-D228 HydrophobicContact CE2-CB 4.46Å; Y223-D228 HydrophobicContact CG-CB 3.87Å; Y223-D228 PolarHBondContact OH-OD2 2.67Å; Y223-I232 HydrophobicContact CD2-CD1 3.49Å; Y223-I232 VanDerWaalsContact CD2-CD1 3.49Å; Y223-I232 HydrophobicContact CD2-CG2 4.01Å; Y223-I232 HydrophobicContact CE2-CD1 3.21Å; Y223-I232 HydrophobicContact CG-CD1 4.44Å; Y223-L238 HydrophobicContact CD2-CD1 3.68Å; Y223-L238 HydrophobicContact CE2-CD1 3.91Å
224	G	94.4	Very high	94.9	Very high	19 Å²	19	51 Å²	51	20%	0.196	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-147.1	170.5	0	0	0	0	0	115.1	P219 N226 Q235	P219-G224 WeakPolarHBondContact O-CA 3.4Å; P219-G224 PolarHBondContact O-N 2.69Å; G224-N226 PolarHBondContact O-N 2.94Å; G224-Q235 PolarHBondContact O-N 3.45Å
225	S	92.6	Very high	94.7	Very high	63 Å²	63	50.7 Å²	50.7	44%	0.441	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.9	-178.6	57.4	0	0	0	0	114	Q234	S225-Q234 VanDerWaalsContact O-CB 3.27Å; S225-Q234 WeakPolarHBondContact O-CB 3.1Å; S225-Q234 WeakPolarHBondContact O-CG 3.5Å; S225-Q234 PolarHBondContact O-OE1 3.29Å
226	N	92.9	Very high	94.6	Very high	131 Å²	131	50.9 Å²	50.9	70%	0.701	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-26	-174.1	-63.1	-17.8	0	0	0	112.2	G224 Q234	G224-N226 PolarHBondContact O-N 2.94Å; N226-Q234 WeakPolarHBondContact O-CG 3.45Å
227	G	93.3	Very high	94.6	Very high	12 Å²	12	49.2 Å²	49.2	12%	0.124	31%	0.305	C	S	.	.			trans	67.2	-164.5	-169.8	0	0	0	0	0	111.5	Y223 I232	Y223-G227 PolarHBondContact O-N 3.48Å; G227-I232 CarbonylContact C-O 3.4Å; G227-I232 VanDerWaalsContact CA-O 3.3Å; G227-I232 WeakPolarHBondContact CA-O 3.5Å
228	D	94.7	Very high	94.6	Very high	81 Å²	81	49.1 Å²	49.1	43%	0.433	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-143.7	118.5	175.5	-167.6	16.7	0	0	0	111	Y223 D231 I232	Y223-D228 HydrophobicContact CD1-CB 3.58Å; Y223-D228 HydrophobicContact CD2-CB 4.3Å; Y223-D228 HydrophobicContact CE1-CB 3.68Å; Y223-D228 VanDerWaalsContact CE1-OD2 3.28Å; Y223-D228 WeakPolarHBondContact CE1-OD2 3.43Å; Y223-D228 HydrophobicContact CE2-CB 4.46Å; Y223-D228 HydrophobicContact CG-CB 3.87Å; Y223-D228 PolarHBondContact OH-OD2 2.67Å; D228-D231 PolarHBondContact O-N 3.14Å; D228-I232 HydrophobicContact CB-CB 4.04Å; D228-I232 HydrophobicContact CB-CD1 4.11Å; D228-I232 HydrophobicContact CB-CG1 4.38Å; D228-I232 PolarHBondContact N-O 2.95Å; D228-I232 PolarHBondContact O-N 3.16Å
229	G	90.7	Very high	94.6	Very high	76 Å²	76	50 Å²	50	78%	0.784	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	-142.2	-179.2	0	0	0	0	0	114.1
230	S	87.3	Confident	94.7	Very high	109 Å²	109	50.5 Å²	50.5	76%	0.762	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-18.1	173.5	48.2	0	0	0	0	113.5
231	D	92	Very high	94.8	Very high	100 Å²	100	49.5 Å²	49.5	54%	0.535	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-28	-161.8	-52.8	-28.1	0	0	0	111.5	F177 D228 P233	F177-D231 HydrophobicContact CB-CB 4.1Å; D228-D231 PolarHBondContact O-N 3.14Å; D231-P233 WeakPolarHBondContact O-CD 3.28Å
232	I	95.6	Very high	94.9	Very high	7 Å²	7	48 Å²	48	4%	0.036	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-115.5	104.9	177.6	-54.2	-178.3	0	0	0	109.5	F177 Y223 G227 D228 A236 L238	F177-I232 HydrophobicContact CB-CG1 4.3Å; F177-I232 HydrophobicContact CD1-CG1 4.36Å; F177-I232 HydrophobicContact CD2-CD1 3.65Å; F177-I232 HydrophobicContact CD2-CG1 3.79Å; F177-I232 HydrophobicContact CE2-CD1 3.58Å; F177-I232 HydrophobicContact CE2-CG1 4.2Å; F177-I232 HydrophobicContact CG-CD1 4.21Å; F177-I232 HydrophobicContact CG-CG1 3.9Å; F177-I232 HydrophobicContact CZ-CD1 4.04Å; Y223-I232 HydrophobicContact CD2-CD1 3.49Å; Y223-I232 VanDerWaalsContact CD2-CD1 3.49Å; Y223-I232 HydrophobicContact CD2-CG2 4.01Å; Y223-I232 HydrophobicContact CE2-CD1 3.21Å; Y223-I232 HydrophobicContact CG-CD1 4.44Å; G227-I232 CarbonylContact C-O 3.4Å; G227-I232 VanDerWaalsContact CA-O 3.3Å; G227-I232 WeakPolarHBondContact CA-O 3.5Å; D228-I232 HydrophobicContact CB-CB 4.04Å; D228-I232 HydrophobicContact CB-CD1 4.11Å; D228-I232 HydrophobicContact CB-CG1 4.38Å; D228-I232 PolarHBondContact N-O 2.95Å; D228-I232 PolarHBondContact O-N 3.16Å; I232-A236 HydrophobicContact CG2-CB 4.36Å; I232-L238 HydrophobicContact CD1-CD2 4.45Å; I232-L238 HydrophobicContact CG2-CD2 3.82Å
233	P	93.7	Very high	95	Very high	44 Å²	44	48.5 Å²	48.5	29%	0.286	29%	0.291	S	S	.	.			trans	-64.2	158	177.6	-26.4	39.3	0	0	0	112.9	R52 L171 D231 A236	R52-P233 VanDerWaalsContact NH1-CG 3.34Å; L171-P233 HydrophobicContact CD1-CG 4.35Å; D231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-A236 HydrophobicContact CB-CB 4.46Å; P233-A236 WeakPolarHBondContact O-CB 3.34Å; P233-A236 PolarHBondContact O-N 3.18Å
234	Q	93.3	Very high	95	Very high	118 Å²	118	44.4 Å²	44.4	55%	0.551	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	141.3	171.7	-62.7	-178.3	7.3	0	0	111	S225 N226 A236	S225-Q234 VanDerWaalsContact O-CB 3.27Å; S225-Q234 WeakPolarHBondContact O-CB 3.1Å; S225-Q234 WeakPolarHBondContact O-CG 3.5Å; S225-Q234 PolarHBondContact O-OE1 3.29Å; N226-Q234 WeakPolarHBondContact O-CG 3.45Å; Q234-A236 PolarHBondContact O-N 3.47Å
235	Q	93.9	Very high	95.1	Very high	44 Å²	44	44.7 Å²	44.7	21%	0.206	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	28.3	176.5	-57.1	-75.9	12.5	0	0	113.6	Y50 W136 P219 G224	Y50-Q235 HydrophobicContact CE1-CB 3.63Å; Y50-Q235 HydrophobicContact CE1-CG 4.2Å; W136-Q235 HydrophobicContact CZ2-CB 4.24Å; W136-Q235 PolarHBondContact NE1-O 2.71Å; P219-Q235 HydrophobicContact CG-CB 4.44Å; P219-Q235 VanDerWaalsContact CG-O 3.22Å; P219-Q235 WeakPolarHBondContact CG-O 3.36Å; G224-Q235 PolarHBondContact O-N 3.45Å
236	A	96	Very high	95.2	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.033	25%	0.252	C	S	.	.			trans	-86.6	134.7	177.6	0	0	0	0	0	112.2	D134 L171 P219 I232 P233 Q234	D134-A236 WeakPolarHBondContact OD2-CA 3.46Å; L171-A236 HydrophobicContact CD2-CB 4.1Å; P219-A236 WeakPolarHBondContact CG-O 3.49Å; I232-A236 HydrophobicContact CG2-CB 4.36Å; P233-A236 HydrophobicContact CB-CB 4.46Å; P233-A236 WeakPolarHBondContact O-CB 3.34Å; P233-A236 PolarHBondContact O-N 3.18Å; Q234-A236 PolarHBondContact O-N 3.47Å
237	S	97.3	Very high	95.3	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.028	22%	0.22	C	C	.	.			trans	-77	143	167.2	-49.9	0	0	0	0	109.5	D134 M217	D134-S237 WeakPolarHBondContact OD1-CB 3.27Å; D134-S237 PolarHBondContact OD1-OG 2.83Å; D134-S237 PolarHBondContact OD2-N 2.9Å; M217-S237 WeakPolarHBondContact O-CA 3.41Å
238	L	98.1	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146	-177.1	-48.8	176.4	0	0	0	110.7	L171 F177 I197 T216 M217 Y223 I232 F240	L171-L238 HydrophobicContact CD2-CD2 4.23Å; F177-L238 HydrophobicContact CE1-CD2 3.98Å; F177-L238 HydrophobicContact CZ-CD2 4.28Å; I197-L238 HydrophobicContact CD1-CD1 3.87Å; T216-L238 CarbonylContact C-O 3.51Å; T216-L238 WeakPolarHBondContact CA-O 3.27Å; M217-L238 HydrophobicContact CG-CB 3.96Å; M217-L238 HydrophobicContact CG-CD1 4.49Å; M217-L238 HydrophobicContact CG-CG 4.46Å; M217-L238 PolarHBondContact N-O 2.92Å; M217-L238 PolarHBondContact O-N 2.96Å; M217-L238 HydrophobicContact SD-CB 4.4Å; M217-L238 HydrophobicContact SD-CD1 4.27Å; Y223-L238 HydrophobicContact CD2-CD1 3.68Å; Y223-L238 HydrophobicContact CE2-CD1 3.91Å; I232-L238 HydrophobicContact CD1-CD2 4.45Å; I232-L238 HydrophobicContact CG2-CD2 3.82Å; L238-F240 HydrophobicContact CB-CD2 4.35Å; L238-F240 HydrophobicContact CB-CE2 3.83Å; L238-F240 HydrophobicContact CD1-CE2 4.01Å; L238-F240 HydrophobicContact CD1-CZ 4.44Å
239	V	98.3	Very high	95.4	Very high	22 Å²	22	33.2 Å²	33.2	13%	0.133	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.2	174.7	-174.9	0	0	0	0	108.4	G169 T170 L172 I214 I215 T216	G169-V239 WeakPolarHBondContact CA-O 3.14Å; T170-V239 PolarHBondContact N-O 3.38Å; T170-V239 PolarHBondContact O-N 3.24Å; L172-V239 HydrophobicContact CD1-CG2 3.93Å; I214-V239 HydrophobicContact CG2-CG1 3.63Å; I215-V239 CarbonylContact O-C 3.59Å; I215-V239 WeakPolarHBondContact O-CA 3.41Å; T216-V239 HydrophobicContact CG2-CG2 4.07Å
240	F	98.6	Very high	95.4	Very high	12 Å²	12	32.2 Å²	32.2	5%	0.053	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.9	174.9	-69.6	-89.7	0	0	0	109.8	Y167 N168 F177 I197 M200 I214 I215 M217 L238 V242	Y167-F240 AromaticContact CD2-CD1 3.65Å; Y167-F240 HydrophobicContact CD2-CD1 3.65Å; Y167-F240 AromaticContact CD2-CE1 3.87Å; Y167-F240 HydrophobicContact CD2-CE1 3.87Å; Y167-F240 HydrophobicContact CE2-CD1 4.28Å; Y167-F240 HydrophobicContact CE2-CE1 4.02Å; Y167-F240 HydrophobicContact CG-CD1 4.24Å; N168-F240 WeakPolarHBondContact O-CA 3.41Å; F177-F240 HydrophobicContact CE2-CE1 4.36Å; F177-F240 HydrophobicContact CE2-CZ 4.27Å; F177-F240 AromaticContact CZ-CE1 3.93Å; F177-F240 HydrophobicContact CZ-CE1 3.93Å; F177-F240 HydrophobicContact CZ-CE2 4.36Å; F177-F240 AromaticContact CZ-CZ 3.67Å; F177-F240 HydrophobicContact CZ-CZ 3.67Å; I197-F240 HydrophobicContact CD1-CE2 3.89Å; I197-F240 HydrophobicContact CD1-CZ 4.11Å; M200-F240 HydrophobicContact CE-CB 4.4Å; M200-F240 HydrophobicContact CE-CG 4.33Å; M200-F240 HydrophobicContact CG-CD2 4.18Å; M200-F240 HydrophobicContact CG-CE2 4.11Å; M200-F240 HydrophobicContact CG-CZ 4.47Å; M200-F240 HydrophobicContact SD-CB 3.78Å; M200-F240 HydrophobicContact SD-CD1 4.11Å; M200-F240 HydrophobicContact SD-CD2 3.45Å; M200-F240 WeakPolarHBondContact SD-CD2 3.49Å; M200-F240 HydrophobicContact SD-CE2 3.98Å; M200-F240 HydrophobicContact SD-CG 3.51Å; M200-F240 VanDerWaalsContact SD-CG 3.51Å; I214-F240 CarbonylContact C-O 3.46Å; I214-F240 VanDerWaalsContact CA-O 3.32Å; I214-F240 WeakPolarHBondContact CA-O 3.32Å; I215-F240 HydrophobicContact CB-CB 4.43Å; I215-F240 PolarHBondContact N-O 3.24Å; I215-F240 PolarHBondContact O-N 3.39Å; M217-F240 HydrophobicContact CE-CD2 3.65Å; M217-F240 HydrophobicContact CE-CE2 3.9Å; M217-F240 HydrophobicContact SD-CE2 4.26Å; L238-F240 HydrophobicContact CB-CD2 4.35Å; L238-F240 HydrophobicContact CB-CE2 3.83Å; L238-F240 HydrophobicContact CD1-CE2 4.01Å; L238-F240 HydrophobicContact CD1-CZ 4.44Å; F240-V242 HydrophobicContact CB-CG2 3.95Å
241	D	98.6	Very high	95.7	Very high	58 Å²	58	36 Å²	36	31%	0.31	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114	165.9	-177.5	11.5	0	0	0	108.2	Y147 Y167 N168	Y147-D241 VanDerWaalsContact CE1-OD1 3.29Å; Y147-D241 WeakPolarHBondContact CE1-OD1 3.42Å; Y147-D241 PolarHBondContact OH-OD1 2.77Å; Y147-D241 PolarHBondContact OH-OD2 3.32Å; Y167-D241 CarbonylContact C-O 3.51Å; Y167-D241 WeakPolarHBondContact CA-O 3.38Å; N168-D241 PolarHBondContact N-O 3.48Å; N168-D241 PolarHBondContact O-N 3.46Å
242	V	98.6	Very high	95.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.5	-168.2	179.5	0	0	0	0	110.9	Y165 H166 M200 L204 M207 K212 R213 I215 F240	Y165-V242 HydrophobicContact CD2-CG1 3.69Å; Y165-V242 HydrophobicContact CE2-CG1 4.46Å; Y165-V242 HydrophobicContact CG-CG1 4.11Å; H166-V242 CarbonylContact O-C 3.54Å; H166-V242 WeakPolarHBondContact O-CA 3.44Å; M200-V242 HydrophobicContact CE-CG2 4.04Å; L204-V242 HydrophobicContact CD2-CG1 3.84Å; M207-V242 HydrophobicContact CE-CG1 4.11Å; M207-V242 HydrophobicContact SD-CG1 4.31Å; K212-V242 CarbonylContact C-O 3.58Å; K212-V242 VanDerWaalsContact CA-O 3.23Å; K212-V242 WeakPolarHBondContact CA-O 3.12Å; R213-V242 PolarHBondContact N-O 2.84Å; R213-V242 PolarHBondContact O-N 2.87Å; I215-V242 HydrophobicContact CD1-CG2 3.98Å; F240-V242 HydrophobicContact CB-CG2 3.95Å
243	V	97.9	Very high	95.7	Very high	28 Å²	28	35.5 Å²	35.5	17%	0.17	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.9	163.3	59.7	0	0	0	0	110.2	Y165 H166 E211 K212 L245	Y165-V243 VanDerWaalsContact CA-O 3.3Å; Y165-V243 WeakPolarHBondContact CA-O 3.21Å; Y165-V243 VanDerWaalsContact CB-O 3.23Å; Y165-V243 WeakPolarHBondContact CB-O 3.18Å; H166-V243 HydrophobicContact CB-CG1 3.69Å; H166-V243 PolarHBondContact N-O 3.09Å; H166-V243 PolarHBondContact O-N 2.82Å; E211-V243 WeakPolarHBondContact O-CA 3.41Å; K212-V243 HydrophobicContact CG-CB 4.02Å; K212-V243 HydrophobicContact CG-CG2 3.9Å; V243-L245 HydrophobicContact CG1-CD2 4.45Å; V243-L245 HydrophobicContact CG2-CD2 4.24Å
244	L	97.6	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132	176.6	-172.8	66.5	0	0	0	109.8	V157 V163 M207 V209 G210 E211	V157-L244 HydrophobicContact CG2-CD1 4.5Å; V157-L244 HydrophobicContact CG2-CD2 3.45Å; V157-L244 VanDerWaalsContact CG2-CD2 3.45Å; V163-L244 HydrophobicContact CB-CD1 3.78Å; V163-L244 HydrophobicContact CG1-CD1 4Å; M207-L244 HydrophobicContact CB-CD2 3.88Å; M207-L244 HydrophobicContact CE-CB 4.06Å; V209-L244 HydrophobicContact CG2-CD2 4.22Å; V209-L244 HydrophobicContact CG2-CG 4.46Å; G210-L244 WeakPolarHBondContact CA-O 3.37Å; G210-L244 PolarHBondContact N-O 2.74Å; E211-L244 PolarHBondContact O-N 2.74Å; E211-L244 VanDerWaalsContact O-N 3.13Å
245	L	95.3	Very high	96	Very high	25 Å²	25	31.7 Å²	31.7	13%	0.131	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-31.6	-177.1	-58.8	177.6	0	0	0	113	R164 T186 V209 V243	R164-L245 WeakPolarHBondContact O-CA 3.37Å; R164-L245 WeakPolarHBondContact O-CB 3.31Å; R164-L245 PolarHBondContact O-N 3.28Å; T186-L245 HydrophobicContact CG2-CD1 3.58Å; V209-L245 VanDerWaalsContact CG1-O 3.24Å; V209-L245 WeakPolarHBondContact CG1-O 3.29Å; V243-L245 HydrophobicContact CG1-CD2 4.45Å; V243-L245 HydrophobicContact CG2-CD2 4.24Å
246	D	95.3	Very high	96.1	Very high	3 Å²	3	33 Å²	33	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.3	-178.1	-143	-29.2	0	0	0	112	V163 R164 L284 A348 V349	V163-D246 WeakPolarHBondContact CA-O 3.45Å; R164-D246 HydrophobicContact CB-CB 3.66Å; R164-D246 PolarHBondContact N-O 3.24Å; R164-D246 PolarHBondContact O-N 2.86Å; D246-L284 WeakPolarHBondContact OD1-CD2 3.41Å; D246-A348 VanDerWaalsContact OD2-CA 3.3Å; D246-A348 WeakPolarHBondContact OD2-CA 3.44Å; D246-V349 VanDerWaalsContact OD1-CB 3.23Å; D246-V349 WeakPolarHBondContact OD1-CB 3.33Å; D246-V349 WeakPolarHBondContact OD1-CG2 3.49Å; D246-V349 PolarHBondContact OD2-N 3.41Å
247	L	95.1	Very high	96.1	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	121.4	-174.9	173.1	59.2	0	0	0	110.9	R155 V157 D161 Y162 V163 V209 L284	R155-L247 HydrophobicContact CB-CD2 4.41Å; R155-L247 HydrophobicContact CG-CD2 3.82Å; V157-L247 HydrophobicContact CB-CD1 4.48Å; V157-L247 HydrophobicContact CG2-CD1 4.09Å; V157-L247 HydrophobicContact CG2-CD2 4.21Å; D161-L247 HydrophobicContact CB-CD1 3.5Å; D161-L247 WeakPolarHBondContact OD2-CD1 3.3Å; Y162-L247 WeakPolarHBondContact O-CA 3.43Å; V163-L247 HydrophobicContact CG1-CD1 3.92Å; V209-L247 HydrophobicContact CG2-CB 3.58Å; L247-L284 HydrophobicContact CB-CD2 4.38Å; L247-L284 WeakPolarHBondContact O-CD2 3.31Å
248	H	95.4	Very high	95.9	Very high	14 Å²	14	40.3 Å²	40.3	7%	0.065	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	162.4	166.6	69.5	-79.2	0	0	0	112.4	Y162 V349	Y162-H248 AromaticContact CD1-CE1 3.3Å; Y162-H248 WeakPolarHBondContact CD1-CE1 3.29Å; Y162-H248 AromaticContact CD1-ND1 3.96Å; Y162-H248 AromaticContact CG-CE1 3.73Å; Y162-H248 PolarHBondContact N-O 3Å; Y162-H248 PolarHBondContact O-N 2.8Å; H248-V349 HydrophobicContact CB-CG2 3.64Å
249	N	94.6	Very high	95.7	Very high	22 Å²	22	45 Å²	45	12%	0.118	25%	0.247	C	C	.	.			trans	-102.5	140.5	164.6	-159.8	-82.3	0	0	0	109.2	S160 D161 K251 D252	S160-N249 PolarHBondContact OG-ND2 3Å; D161-N249 PolarHBondContact OD1-ND2 3.17Å; N249-K251 PolarHBondContact O-N 2.9Å; N249-K251 WeakPolarHBondContact OD1-CB 3.45Å; N249-K251 PolarHBondContact OD1-N 3.15Å; N249-K251 VanDerWaalsContact OD1-N 3.07Å; N249-D252 WeakPolarHBondContact CB-OD1 3.09Å; N249-D252 PolarHBondContact N-OD2 2.93Å; N249-D252 VanDerWaalsContact O-CB 3.29Å; N249-D252 WeakPolarHBondContact O-CB 3.49Å; N249-D252 PolarHBondContact O-N 2.88Å
250	P	90.9	Very high	95.5	Very high	55 Å²	55	48 Å²	48	36%	0.357	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.4	173.8	-26.9	34.9	0	0	0	114.7	Y190 H332	Y190-P250 HydrophobicContact CE1-CG 3.62Å; P250-H332 PolarHBondContact O-CE1 3.46Å
251	K	92.9	Very high	95.2	Very high	188 Å²	188	50.5 Å²	50.5	82%	0.817	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.3	176.9	-60.6	177.3	-178.2	171.9	0	113.9	N249	N249-K251 PolarHBondContact O-N 2.9Å; N249-K251 WeakPolarHBondContact OD1-CB 3.45Å; N249-K251 PolarHBondContact OD1-N 3.15Å; N249-K251 VanDerWaalsContact OD1-N 3.07Å
252	D	93.3	Very high	94.8	Very high	49 Å²	49	49.9 Å²	49.9	26%	0.262	28%	0.275	S	S	.	.			trans	-64.4	139.7	-179.8	-70.6	-19.8	0	0	0	110.7	R155 N249 P330 H332	R155-D252 IonicContact CZ-OD2 2.88Å; R155-D252 IonicContact NH1-OD1 3.8Å; R155-D252 IonicContact NH1-OD2 3.64Å; R155-D252 PolarHBondContact NH1-OD2 3.39Å; R155-D252 IonicContact NH2-OD2 2.89Å; N249-D252 WeakPolarHBondContact CB-OD1 3.09Å; N249-D252 PolarHBondContact N-OD2 2.93Å; N249-D252 VanDerWaalsContact O-CB 3.29Å; N249-D252 WeakPolarHBondContact O-CB 3.49Å; N249-D252 PolarHBondContact O-N 2.88Å; D252-P330 HydrophobicContact CB-CB 4.26Å; D252-P330 HydrophobicContact CB-CG 4.36Å; D252-H332 PolarHBondContact O-CE1 2.81Å; D252-H332 PolarHBondContact O-NE2 2.76Å; D252-H332 VanDerWaalsContact O-NE2 3.12Å
253	G	95.8	Very high	94.3	Very high	48 Å²	48	57.1 Å²	57.1	50%	0.495	31%	0.309	S	S	.	.			trans	-92.7	-170.6	165.2	0	0	0	0	0	111.7	S255 P330	G253-S255 PolarHBondContact O-N 3.35Å; G253-P330 WeakPolarHBondContact O-CD 3.12Å
254	V	96.4	Very high	93.7	Very high	29 Å²	29	59.9 Å²	59.9	18%	0.176	33%	0.327	C	S	.	.			trans	-66.6	131.3	168.3	-174.1	0	0	0	0	110	I256 G311 E314 I327 L333	V254-I256 HydrophobicContact CG1-CG1 4.06Å; V254-G311 VanDerWaalsContact CG2-CA 3.44Å; V254-E314 HydrophobicContact CG2-CB 4.05Å; V254-E314 WeakPolarHBondContact CG2-OE2 3.45Å; V254-I327 HydrophobicContact CG1-CG2 3.4Å; V254-L333 HydrophobicContact CG2-CD1 3.57Å
255	S	96	Very high	93.3	Very high	54 Å²	54	61.7 Å²	61.7	38%	0.378	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123	170.8	166.4	0	0	0	0	110.1	G253 I328	G253-S255 PolarHBondContact O-N 3.35Å; S255-I328 PolarHBondContact N-O 3.12Å; S255-I328 PolarHBondContact O-N 3.08Å
256	I	96.4	Very high	92.7	Very high	70 Å²	70	68.6 Å²	68.6	36%	0.359	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.6	-179.3	-56.8	172.4	0	0	0	109	V254	V254-I256 HydrophobicContact CG1-CG1 4.06Å
257	I	95.8	Very high	92.4	Very high	82 Å²	82	72.2 Å²	72.2	42%	0.421	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	107.5	175.9	-55.6	168.6	0	0	0	107.5	Q259 R325 R326 I328	I257-Q259 PolarHBondContact O-N 3.04Å; I257-R325 CarbonylContact O-C 3.5Å; I257-R325 WeakPolarHBondContact O-CA 3.35Å; I257-R326 HydrophobicContact CB-CB 4.25Å; I257-R326 PolarHBondContact N-O 2.78Å; I257-R326 PolarHBondContact O-N 3.34Å; I257-I328 HydrophobicContact CD1-CD1 4.14Å
258	N	94.1	Very high	92.4	Very high	81 Å²	81	78.2 Å²	78.2	43%	0.433	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	123	174.5	-56	79	0	0	0	109.3	I261 E323	N258-I261 HydrophobicContact CB-CD1 3.87Å; N258-I261 HydrophobicContact CB-CG1 4.08Å; N258-E323 PolarHBondContact ND2-OE1 3.38Å
259	Q	92.7	Very high	92.4	Very high	98 Å²	98	77.6 Å²	77.6	46%	0.458	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-44.6	178.9	-67.2	171.5	-35.5	0	0	110.5	I257 K324 D353	I257-Q259 PolarHBondContact O-N 3.04Å; Q259-K324 WeakPolarHBondContact CA-O 3.24Å; Q259-K324 HydrophobicContact CB-CB 4.28Å; Q259-K324 WeakPolarHBondContact CB-O 3.11Å; Q259-K324 PolarHBondContact N-O 2.91Å; Q259-D353 PolarHBondContact NE2-OD1 2.79Å
260	D	94.6	Very high	92.5	Very high	85 Å²	85	80.3 Å²	80.3	46%	0.455	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	129.4	179	-173.8	17.3	0	0	0	109.7	E323 K324	D260-E323 WeakPolarHBondContact O-CA 3.44Å; D260-E323 WeakPolarHBondContact O-CG 3.22Å; D260-K324 HydrophobicContact CB-CB 4.19Å; D260-K324 PolarHBondContact N-O 3.47Å; D260-K324 PolarHBondContact O-N 3.09Å
261	I	93.1	Very high	92.7	Very high	65 Å²	65	80.8 Å²	80.8	33%	0.333	43%	0.432	S	S	.	.			trans	-123	105.2	178	-55.8	170.8	0	0	0	107.2	N258 Q263 C320 E323	N258-I261 HydrophobicContact CB-CD1 3.87Å; N258-I261 HydrophobicContact CB-CG1 4.08Å; I261-Q263 PolarHBondContact O-N 3.29Å; I261-C320 HydrophobicContact CG2-CB 4.18Å; I261-E323 HydrophobicContact CG1-CG 4Å
262	P	89.4	Confident	92.9	Very high	45 Å²	45	72.3 Å²	72.3	29%	0.292	40%	0.398	S	S	.	.			trans	-55.4	139.4	175.7	-27.6	35.5	0	0	0	112	G322	P262-G322 VanDerWaalsContact CG-C 3.49Å; P262-G322 WeakPolarHBondContact CG-O 3.4Å
263	Q	87.1	Confident	93	Very high	153 Å²	153	70 Å²	70	72%	0.715	39%	0.386	S	S	*	.	S	Bend	trans	-113.8	137.1	173.7	-67.1	-62.3	-35.9	0	0	109.8	I261	I261-Q263 PolarHBondContact O-N 3.29Å
264	P	86.8	Confident	93	Very high	85 Å²	85	68.6 Å²	68.6	55%	0.552	37%	0.366	S	S	*	.			cis	-78.8	143.4	-0.8	31.5	-36.6	0	0	0	113.8	H266	P264-H266 VanDerWaalsContact CG-CE1 3.46Å; P264-H266 WeakPolarHBondContact CG-CE1 3.38Å; P264-H266 WeakPolarHBondContact CG-NE2 3.48Å; P264-H266 PolarHBondContact O-N 3.21Å
265	C	88.3	Confident	93	Very high	38 Å²	38	67.2 Å²	67.2	26%	0.257	36%	0.358	S	S	.	.			trans	-94.1	88.5	167.7	177.7	0	0	0	0	110.5	R267 C320	C265-R267 PolarHBondContact SG-O 3.12Å; C265-C320 HydrophobicContact CB-CB 3.78Å; C265-C320 WeakPolarHBondContact CB-SG 3.26Å; C265-C320 WeakPolarHBondContact SG-CB 3.17Å; C265-C320 CovalentContact SG-SG 2.02Å; C265-C320 PolarHBondContact SG-SG 2.99Å
266	H	82.6	Confident	93	Very high	170 Å²	170	64.9 Å²	64.9	79%	0.787	34%	0.341	S	S	*	.			trans	-70.9	-34.2	-176	-65.8	-63.5	0	0	0	114	P264	P264-H266 VanDerWaalsContact CG-CE1 3.46Å; P264-H266 WeakPolarHBondContact CG-CE1 3.38Å; P264-H266 WeakPolarHBondContact CG-NE2 3.48Å; P264-H266 PolarHBondContact O-N 3.21Å
267	R	88.3	Confident	93	Very high	80 Å²	80	61.8 Å²	61.8	30%	0.302	33%	0.325	S	S	.	.			trans	-135.8	143.3	-179.4	-178.6	-172.8	164	-169.8	4.5	109.4	C265 D273 F359 D364	C265-R267 PolarHBondContact SG-O 3.12Å; R267-D273 IonicContact CZ-OD2 3.55Å; R267-D273 IonicContact NE-OD2 3.08Å; R267-D273 IonicContact NH2-OD1 3.83Å; R267-D273 PolarHBondContact NH2-OD1 2.93Å; R267-D273 IonicContact NH2-OD2 3.66Å; R267-D273 PolarHBondContact NH2-OD2 2.92Å; R267-F359 HydrophobicContact CG-CE2 3.9Å; R267-F359 HydrophobicContact CG-CZ 4.39Å; R267-D364 IonicContact CZ-OD1 3.82Å; R267-D364 IonicContact CZ-OD2 2.72Å; R267-D364 IonicContact NH1-OD1 3.95Å; R267-D364 IonicContact NH1-OD2 3.94Å; R267-D364 PolarHBondContact NH1-OD2 2.94Å; R267-D364 IonicContact NH2-OD1 3.25Å; R267-D364 IonicContact NH2-OD2 3.35Å; R267-D364 PolarHBondContact NH2-OD2 3.19Å
268	K	95.1	Very high	93	Very high	131 Å²	131	59.3 Å²	59.3	57%	0.57	31%	0.312	S	S	*	.			trans	-108.9	147.8	169.4	-68.6	-173	176.8	-172.2	0	110.8	V319	K268-V319 CarbonylContact C-O 3.54Å; K268-V319 VanDerWaalsContact CA-O 3.23Å; K268-V319 WeakPolarHBondContact CA-O 3.36Å
269	S	96.4	Very high	93.2	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.014	29%	0.294	C	S	.	.			trans	-63.9	142.5	175.1	66	0	0	0	0	111.4	D273 L316 G318 V319 F359	S269-D273 WeakPolarHBondContact CA-OD2 3.47Å; S269-L316 PolarHBondContact OG-O 3.33Å; S269-G318 WeakPolarHBondContact O-CA 3.3Å; S269-G318 PolarHBondContact O-N 3.45Å; S269-G318 PolarHBondContact OG-N 2.92Å; S269-V319 PolarHBondContact N-O 2.94Å; S269-V319 VanDerWaalsContact OG-CG2 3.27Å; S269-V319 WeakPolarHBondContact OG-CG2 3.4Å; S269-V319 PolarHBondContact OG-N 3.12Å; S269-F359 VanDerWaalsContact N-CZ 3.31Å
270	V	96.4	Very high	93.5	Very high	79 Å²	79	54.7 Å²	54.7	48%	0.479	29%	0.289	S	S	.	.			trans	-128.1	165.9	174.3	-63.1	0	0	0	0	110.8	G272 D273	V270-G272 PolarHBondContact O-N 2.94Å; V270-D273 PolarHBondContact N-OD2 3.37Å; V270-D273 WeakPolarHBondContact O-CB 3.41Å; V270-D273 PolarHBondContact O-N 3.42Å
271	A	96.3	Very high	93.6	Very high	64 Å²	64	50.6 Å²	50.6	53%	0.529	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	129.4	178.6	0	0	0	0	0	110.9	V303 I317	A271-V303 CarbonylContact C-O 3.54Å; A271-V303 WeakPolarHBondContact CA-O 3.48Å; A271-I317 HydrophobicContact CB-CD1 4.11Å
272	G	95.2	Very high	93.8	Very high	10 Å²	10	48.5 Å²	48.5	10%	0.103	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.7	-6.8	-174.6	0	0	0	0	0	115.1	V270 V303	V270-G272 PolarHBondContact O-N 2.94Å; G272-V303 PolarHBondContact N-O 2.95Å
273	D	96.8	Very high	94.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.			trans	-69.1	138.5	169.6	-71.5	-14.4	0	0	0	110.6	R267 S269 V270 Y302 V303 F359 H360 N361	R267-D273 IonicContact CZ-OD2 3.55Å; R267-D273 IonicContact NE-OD2 3.08Å; R267-D273 IonicContact NH2-OD1 3.83Å; R267-D273 PolarHBondContact NH2-OD1 2.93Å; R267-D273 IonicContact NH2-OD2 3.66Å; R267-D273 PolarHBondContact NH2-OD2 2.92Å; S269-D273 WeakPolarHBondContact CA-OD2 3.47Å; V270-D273 PolarHBondContact N-OD2 3.37Å; V270-D273 WeakPolarHBondContact O-CB 3.41Å; V270-D273 PolarHBondContact O-N 3.42Å; D273-Y302 CarbonylContact O-C 3.52Å; D273-Y302 VanDerWaalsContact O-CA 3.32Å; D273-Y302 WeakPolarHBondContact O-CA 3.5Å; D273-V303 PolarHBondContact O-N 3.07Å; D273-F359 HydrophobicContact CB-CD2 4.46Å; D273-H360 CarbonylContact C-O 3.54Å; D273-H360 WeakPolarHBondContact CA-O 3.12Å; D273-N361 WeakPolarHBondContact OD1-CB 3.47Å; D273-N361 PolarHBondContact OD1-ND2 3.49Å
274	F	95.6	Very high	94.4	Very high	19 Å²	19	41.9 Å²	41.9	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.1	165.9	-171.9	-92.2	0	0	0	108.6	R276 D300 T301 Y302 F359 H360	F274-R276 HydrophobicContact CD1-CG 4.29Å; F274-R276 HydrophobicContact CE1-CG 3.83Å; F274-D300 HydrophobicContact CE1-CB 4.06Å; F274-D300 HydrophobicContact CE2-CB 4.41Å; F274-D300 HydrophobicContact CZ-CB 3.62Å; F274-T301 CarbonylContact C-O 3.6Å; F274-T301 WeakPolarHBondContact CA-O 3.37Å; F274-Y302 HydrophobicContact CB-CD1 3.92Å; F274-Y302 HydrophobicContact CB-CE1 3.72Å; F274-Y302 HydrophobicContact CD2-CD1 4.09Å; F274-Y302 AromaticContact CD2-CD2 3.93Å; F274-Y302 HydrophobicContact CD2-CD2 3.93Å; F274-Y302 AromaticContact CD2-CE1 3.8Å; F274-Y302 HydrophobicContact CD2-CE1 3.8Å; F274-Y302 AromaticContact CD2-CE2 3.6Å; F274-Y302 HydrophobicContact CD2-CE2 3.6Å; F274-Y302 HydrophobicContact CD2-CG 4.16Å; F274-Y302 AromaticContact CD2-CZ 3.53Å; F274-Y302 HydrophobicContact CE2-CE2 4.08Å; F274-Y302 HydrophobicContact CG-CE1 4.25Å; F274-F359 CarbonylContact O-C 3.57Å; F274-F359 WeakPolarHBondContact O-CA 3.48Å; F274-F359 VanDerWaalsContact O-CB 3.28Å; F274-F359 WeakPolarHBondContact O-CB 3.3Å; F274-H360 AromaticContact CD1-CE1 3.44Å; F274-H360 VanDerWaalsContact CD1-CE1 3.44Å; F274-H360 WeakPolarHBondContact CD1-CE1 3.28Å; F274-H360 AromaticContact CG-CE1 3.83Å; F274-H360 PolarHBondContact N-O 2.95Å; F274-H360 PolarHBondContact O-N 3.38Å
275	I	96.1	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141	-175.6	-167	155.8	0	0	0	111	Y277 D300 T301 V303 L316 V319 I356 F359	I275-Y277 HydrophobicContact CG1-CD1 4.32Å; I275-Y277 HydrophobicContact CG2-CD1 3.94Å; I275-Y277 HydrophobicContact CG2-CE1 4.1Å; I275-D300 WeakPolarHBondContact O-CA 3.41Å; I275-T301 HydrophobicContact CG2-CG2 3.75Å; I275-T301 WeakPolarHBondContact CG2-O 3.29Å; I275-T301 PolarHBondContact N-O 3.35Å; I275-T301 PolarHBondContact O-N 3.31Å; I275-T301 VanDerWaalsContact O-N 3.12Å; I275-V303 HydrophobicContact CB-CG2 3.78Å; I275-V303 HydrophobicContact CD1-CG2 4.17Å; I275-V303 HydrophobicContact CG2-CG2 3.27Å; I275-L316 HydrophobicContact CD1-CD2 4.45Å; I275-L316 HydrophobicContact CG2-CD1 4.24Å; I275-V319 HydrophobicContact CD1-CG2 3.55Å; I275-I356 HydrophobicContact CD1-CD1 3.95Å; I275-I356 HydrophobicContact CD1-CG2 4.29Å; I275-I356 HydrophobicContact CG1-CG2 4.48Å; I275-F359 HydrophobicContact CB-CB 4.06Å; I275-F359 HydrophobicContact CD1-CB 4.37Å; I275-F359 HydrophobicContact CD1-CD1 4.41Å; I275-F359 HydrophobicContact CG1-CB 4Å
276	R	95.3	Very high	94.8	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.019	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.7	169.7	-56.2	-171.3	-59.7	161	13.2	109	F274 T298 D300 I357 D358 A458 A460	F274-R276 HydrophobicContact CD1-CG 4.29Å; F274-R276 HydrophobicContact CE1-CG 3.83Å; R276-T298 HydrophobicContact CB-CG2 4.32Å; R276-D300 HydrophobicContact CG-CB 4.39Å; R276-D300 WeakPolarHBondContact CG-OD1 3.33Å; R276-I357 WeakPolarHBondContact O-CB 3.41Å; R276-I357 PolarHBondContact O-N 2.66Å; R276-D358 IonicContact CZ-OD1 2.68Å; R276-D358 IonicContact CZ-OD2 3.16Å; R276-D358 PolarHBondContact N-O 3.3Å; R276-D358 IonicContact NE-OD1 3.74Å; R276-D358 PolarHBondContact NE-OD1 2.95Å; R276-D358 IonicContact NE-OD2 3.61Å; R276-D358 VanDerWaalsContact NH2-CG 3.3Å; R276-D358 IonicContact NH2-OD1 3.81Å; R276-D358 PolarHBondContact NH2-OD1 2.83Å; R276-D358 IonicContact NH2-OD2 3.94Å; R276-D358 PolarHBondContact NH2-OD2 2.95Å; R276-D358 PolarHBondContact O-N 3.31Å; R276-A458 PolarHBondContact NH1-O 2.61Å; R276-A460 VanDerWaalsContact CZ-CA 3.41Å
277	Y	96.5	Very high	95.3	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.9	-177.9	65.3	-81.7	0	0	0	111.6	I275 Y279 Y299 T301 M312 L316 I354 H355	I275-Y277 HydrophobicContact CG1-CD1 4.32Å; I275-Y277 HydrophobicContact CG2-CD1 3.94Å; I275-Y277 HydrophobicContact CG2-CE1 4.1Å; Y277-Y279 HydrophobicContact CD2-CD1 4.32Å; Y277-Y279 AromaticContact CE2-CD1 3.82Å; Y277-Y279 HydrophobicContact CE2-CD1 3.82Å; Y277-Y279 HydrophobicContact CE2-CG 4.43Å; Y277-Y299 WeakPolarHBondContact CD1-O 3.42Å; Y277-Y299 AromaticContact CE1-CD1 3.92Å; Y277-Y299 HydrophobicContact CE1-CD1 3.92Å; Y277-Y299 AromaticContact CZ-CD1 3.78Å; Y277-Y299 PolarHBondContact N-O 2.99Å; Y277-Y299 VanDerWaalsContact N-O 3.08Å; Y277-Y299 PolarHBondContact O-N 3.26Å; Y277-Y299 WeakPolarHBondContact OH-CD1 3.44Å; Y277-T301 HydrophobicContact CE1-CG2 4.08Å; Y277-M312 HydrophobicContact CE2-SD 4.31Å; Y277-L316 HydrophobicContact CD1-CD1 4.12Å; Y277-L316 HydrophobicContact CD1-CD2 4.45Å; Y277-L316 HydrophobicContact CE1-CD1 3.54Å; Y277-L316 HydrophobicContact CE2-CD1 4.48Å; Y277-L316 HydrophobicContact CG-CD2 4.46Å; Y277-I354 HydrophobicContact CD2-CD1 3.93Å; Y277-I354 HydrophobicContact CD2-CG2 3.91Å; Y277-I354 HydrophobicContact CE2-CD1 3.89Å; Y277-I354 HydrophobicContact CG-CG2 4.3Å; Y277-H355 CarbonylContact C-O 3.59Å; Y277-H355 WeakPolarHBondContact CA-O 3.36Å; Y277-H355 WeakPolarHBondContact CB-O 3.45Å
278	H	97.3	Very high	95.7	Very high	31 Å²	31	38.5 Å²	38.5	14%	0.144	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	153	164.4	-74	-50.6	0	0	0	111	S292 Y293 R297 I354 H355	H278-S292 WeakPolarHBondContact CA-OG 3.46Å; H278-S292 VanDerWaalsContact CB-OG 3.24Å; H278-S292 WeakPolarHBondContact CB-OG 3.44Å; H278-S292 PolarHBondContact ND1-OG 2.84Å; H278-Y293 HydrophobicContact CB-CD1 4.47Å; H278-Y293 HydrophobicContact CB-CD2 4.25Å; H278-Y293 HydrophobicContact CB-CE1 3.81Å; H278-Y293 HydrophobicContact CB-CE2 3.56Å; H278-Y293 WeakPolarHBondContact CB-OH 3.1Å; H278-Y293 AromaticContact CD2-CE1 3.46Å; H278-Y293 VanDerWaalsContact CD2-CE1 3.46Å; H278-Y293 WeakPolarHBondContact CD2-CE1 3.46Å; H278-Y293 AromaticContact CD2-CZ 3.86Å; H278-Y293 AromaticContact CG-CE1 3.64Å; H278-Y293 AromaticContact CG-CZ 3.71Å; H278-R297 PolarHBondContact CE1-O 2.7Å; H278-R297 PolarHBondContact ND1-O 2.92Å; H278-I354 CarbonylContact O-C 3.54Å; H278-I354 WeakPolarHBondContact O-CA 3.3Å; H278-H355 HydrophobicContact CB-CB 4.44Å; H278-H355 PolarHBondContact N-O 2.91Å; H278-H355 PolarHBondContact O-N 3.16Å
279	Y	97.7	Very high	95.7	Very high	17 Å²	17	32.8 Å²	32.8	7%	0.067	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.5	175.3	70.3	-93.2	0	0	0	112.9	Y277 D290 S291 S292 R295 Y299 F352 D353 I354	Y277-Y279 HydrophobicContact CD2-CD1 4.32Å; Y277-Y279 AromaticContact CE2-CD1 3.82Å; Y277-Y279 HydrophobicContact CE2-CD1 3.82Å; Y277-Y279 HydrophobicContact CE2-CG 4.43Å; Y279-D290 HydrophobicContact CE2-CB 4.29Å; Y279-D290 WeakPolarHBondContact CE2-OD2 3.42Å; Y279-D290 PolarHBondContact OH-OD2 3.46Å; Y279-S291 WeakPolarHBondContact O-CA 3.18Å; Y279-S291 PolarHBondContact O-OG 3.06Å; Y279-S292 PolarHBondContact N-OG 2.74Å; Y279-S292 PolarHBondContact O-N 3.35Å; Y279-S292 PolarHBondContact O-OG 3.26Å; Y279-R295 VanDerWaalsContact CZ-NH2 3.33Å; Y279-R295 PolarHBondContact OH-NH2 2.83Å; Y279-Y299 AromaticContact CE1-CD2 3.84Å; Y279-Y299 HydrophobicContact CE1-CD2 3.84Å; Y279-Y299 HydrophobicContact CE1-CG 4.05Å; Y279-F352 AromaticContact CD2-CD1 3.72Å; Y279-F352 HydrophobicContact CD2-CD1 3.72Å; Y279-F352 AromaticContact CD2-CE1 3.84Å; Y279-F352 HydrophobicContact CD2-CE1 3.84Å; Y279-F352 HydrophobicContact CE2-CD1 4.34Å; Y279-F352 AromaticContact CE2-CE1 3.98Å; Y279-F352 HydrophobicContact CE2-CE1 3.98Å; Y279-F352 HydrophobicContact CG-CD1 4.26Å; Y279-D353 CarbonylContact C-O 3.51Å; Y279-D353 VanDerWaalsContact CA-O 3.22Å; Y279-D353 WeakPolarHBondContact CA-O 3.3Å; Y279-I354 VanDerWaalsContact CB-CD1 3.43Å
280	N	98.1	Very high	95.6	Very high	64 Å²	64	34.9 Å²	34.9	34%	0.342	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.7	158.3	-69.8	-31.4	0	0	0	108.6	F288 S291 F352 D353	N280-F288 HydrophobicContact CB-CE2 4.45Å; N280-S291 VanDerWaalsContact OD1-CB 3.24Å; N280-S291 WeakPolarHBondContact OD1-CB 3.35Å; N280-S291 PolarHBondContact OD1-OG 3.47Å; N280-F352 WeakPolarHBondContact O-CA 3.27Å; N280-D353 PolarHBondContact N-O 3.29Å; N280-D353 PolarHBondContact O-N 3.44Å
281	G	97.7	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.1	-179.7	0	0	0	0	0	111.9	F288 F289 D290 V351	G281-F288 WeakPolarHBondContact O-CD2 3.19Å; G281-F289 VanDerWaalsContact C-CE1 3.5Å; G281-F289 PolarHBondContact O-N 3.11Å; G281-D290 PolarHBondContact N-O 2.86Å; G281-D290 PolarHBondContact O-N 3.26Å; G281-V351 WeakPolarHBondContact CA-O 3.24Å
282	S	97.3	Very high	95.7	Very high	21 Å²	21	28.4 Å²	28.4	15%	0.147	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.3	171.9	67.3	0	0	0	0	111.6	T287 F289 V351	S282-T287 CarbonylContact C-O 3.45Å; S282-T287 WeakPolarHBondContact CA-O 3.29Å; S282-T287 WeakPolarHBondContact CB-O 3.1Å; S282-F289 WeakPolarHBondContact O-CE1 3.17Å; S282-V351 PolarHBondContact N-O 3.11Å; S282-V351 WeakPolarHBondContact O-CA 3.48Å; S282-V351 WeakPolarHBondContact O-CB 3.45Å; S282-V351 PolarHBondContact O-N 3.49Å
283	L	95.8	Very high	95.6	Very high	10 Å²	10	33 Å²	33	5%	0.052	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	170.6	166	-53.6	-175.7	0	0	0	110.3	D285 G286 T287 F289 P345 A348 L350	L283-D285 WeakPolarHBondContact CB-OD1 3.4Å; L283-D285 PolarHBondContact O-N 2.93Å; L283-G286 PolarHBondContact O-N 3.11Å; L283-T287 HydrophobicContact CD1-CG2 4.43Å; L283-T287 PolarHBondContact N-O 3.38Å; L283-F289 HydrophobicContact CD2-CD1 3.87Å; L283-F289 HydrophobicContact CD2-CE1 4.18Å; L283-F289 HydrophobicContact CG-CD1 4.33Å; L283-P345 HydrophobicContact CD1-CG 4.16Å; L283-A348 HydrophobicContact CD2-CB 4.14Å; L283-L350 HydrophobicContact CD2-CD2 4.26Å
284	L	93.4	Very high	95.3	Very high	49 Å²	49	37.3 Å²	37.3	26%	0.257	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.3	-177.4	-165.6	59.8	0	0	0	113.4	V209 D246 L247 G286 V349 V351	V209-L284 HydrophobicContact CB-CG 4.4Å; V209-L284 HydrophobicContact CG1-CB 4.29Å; V209-L284 HydrophobicContact CG1-CD2 4.5Å; V209-L284 HydrophobicContact CG1-CG 4.07Å; V209-L284 HydrophobicContact CG2-CD2 3.76Å; V209-L284 HydrophobicContact CG2-CG 4.17Å; D246-L284 WeakPolarHBondContact OD1-CD2 3.41Å; L247-L284 HydrophobicContact CB-CD2 4.38Å; L247-L284 WeakPolarHBondContact O-CD2 3.31Å; L284-G286 PolarHBondContact O-N 3.22Å; L284-V349 HydrophobicContact CB-CB 4.21Å; L284-V349 HydrophobicContact CB-CG1 4.43Å; L284-V349 HydrophobicContact CD1-CG1 4.34Å; L284-V349 HydrophobicContact CD2-CB 4.22Å; L284-V349 HydrophobicContact CD2-CG1 4.27Å; L284-V349 HydrophobicContact CD2-CG2 4.42Å; L284-V351 HydrophobicContact CD1-CG2 3.93Å
285	D	91.1	Very high	95.1	Very high	57 Å²	57	41 Å²	41	31%	0.305	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-0.7	172	69.3	-1.3	0	0	0	114.3	V209 L283 T287	V209-D285 HydrophobicContact CG1-CB 4.13Å; L283-D285 WeakPolarHBondContact CB-OD1 3.4Å; L283-D285 PolarHBondContact O-N 2.93Å; D285-T287 VanDerWaalsContact CG-OG1 3.27Å; D285-T287 WeakPolarHBondContact OD1-CB 3.48Å; D285-T287 PolarHBondContact OD1-N 3.08Å; D285-T287 PolarHBondContact OD1-OG1 3.12Å; D285-T287 PolarHBondContact OD2-OG1 2.6Å
286	G	91.8	Very high	94.7	Very high	51 Å²	51	48.2 Å²	48.2	53%	0.526	26%	0.258	S	S	.	.			trans	88.8	0.3	-178	0	0	0	0	0	114.7	L283 L284 F288	L283-G286 PolarHBondContact O-N 3.11Å; L284-G286 PolarHBondContact O-N 3.22Å; G286-F288 PolarHBondContact O-N 2.96Å; G286-F288 VanDerWaalsContact O-N 3.1Å
287	T	93.1	Very high	94.4	Very high	72 Å²	72	55.9 Å²	55.9	44%	0.442	29%	0.287	S	S	.	.			trans	-63.2	113.1	176.3	-60.5	0	0	0	0	110.5	S282 L283 D285	S282-T287 CarbonylContact C-O 3.45Å; S282-T287 WeakPolarHBondContact CA-O 3.29Å; S282-T287 WeakPolarHBondContact CB-O 3.1Å; L283-T287 HydrophobicContact CD1-CG2 4.43Å; L283-T287 PolarHBondContact N-O 3.38Å; D285-T287 VanDerWaalsContact CG-OG1 3.27Å; D285-T287 WeakPolarHBondContact OD1-CB 3.48Å; D285-T287 PolarHBondContact OD1-N 3.08Å; D285-T287 PolarHBondContact OD1-OG1 3.12Å; D285-T287 PolarHBondContact OD2-OG1 2.6Å
288	F	96	Very high	94.3	Very high	122 Å²	122	57 Å²	57	54%	0.535	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	134.2	-179.8	177.3	-95.1	0	0	0	112.1	N280 G281 G286 D290	N280-F288 HydrophobicContact CB-CE2 4.45Å; G281-F288 WeakPolarHBondContact O-CD2 3.19Å; G286-F288 PolarHBondContact O-N 2.96Å; G286-F288 VanDerWaalsContact O-N 3.1Å; F288-D290 WeakPolarHBondContact CE2-O 3.46Å; F288-D290 VanDerWaalsContact CZ-O 3.3Å; F288-D290 WeakPolarHBondContact CZ-O 3.41Å
289	F	95.7	Very high	94.2	Very high	11 Å²	11	59.4 Å²	59.4	5%	0.048	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-35.6	177.6	63.6	-103.9	0	0	0	114.3	G281 S282 L283 K343 I344 L350 F352	G281-F289 VanDerWaalsContact C-CE1 3.5Å; G281-F289 PolarHBondContact O-N 3.11Å; S282-F289 WeakPolarHBondContact O-CE1 3.17Å; L283-F289 HydrophobicContact CD2-CD1 3.87Å; L283-F289 HydrophobicContact CD2-CE1 4.18Å; L283-F289 HydrophobicContact CG-CD1 4.33Å; F289-K343 HydrophobicContact CB-CB 3.92Å; F289-K343 HydrophobicContact CB-CD 4.32Å; F289-K343 WeakPolarHBondContact O-CD 3.33Å; F289-K343 PolarHBondContact O-NZ 3.29Å; F289-I344 HydrophobicContact CB-CG1 4.36Å; F289-I344 HydrophobicContact CD1-CG1 4.31Å; F289-I344 HydrophobicContact CD2-CD1 3.76Å; F289-I344 HydrophobicContact CD2-CG1 4Å; F289-I344 HydrophobicContact CE2-CD1 3.74Å; F289-I344 HydrophobicContact CE2-CG1 4.39Å; F289-I344 HydrophobicContact CG-CD1 4.23Å; F289-I344 HydrophobicContact CG-CG1 3.99Å; F289-I344 HydrophobicContact CZ-CD1 4.14Å; F289-L350 HydrophobicContact CE1-CD2 4.06Å; F289-L350 HydrophobicContact CZ-CD2 4.24Å; F289-F352 HydrophobicContact CE2-CE1 4.02Å; F289-F352 HydrophobicContact CE2-CZ 4.05Å; F289-F352 AromaticContact CZ-CE1 3.81Å; F289-F352 HydrophobicContact CZ-CE1 3.81Å; F289-F352 HydrophobicContact CZ-CE2 4.32Å; F289-F352 AromaticContact CZ-CZ 3.64Å; F289-F352 HydrophobicContact CZ-CZ 3.64Å
290	D	95.1	Very high	94	Very high	46 Å²	46	61.5 Å²	61.5	25%	0.246	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	157.9	-175.6	-169.5	32.9	0	0	0	114	Y279 G281 F288 R295	Y279-D290 HydrophobicContact CE2-CB 4.29Å; Y279-D290 WeakPolarHBondContact CE2-OD2 3.42Å; Y279-D290 PolarHBondContact OH-OD2 3.46Å; G281-D290 PolarHBondContact N-O 2.86Å; G281-D290 PolarHBondContact O-N 3.26Å; F288-D290 WeakPolarHBondContact CE2-O 3.46Å; F288-D290 VanDerWaalsContact CZ-O 3.3Å; F288-D290 WeakPolarHBondContact CZ-O 3.41Å; D290-R295 IonicContact OD1-NH2 3.76Å; D290-R295 IonicContact OD2-CZ 2.72Å; D290-R295 IonicContact OD2-NH2 3.54Å; D290-R295 PolarHBondContact OD2-NH2 2.81Å
291	S	96.8	Very high	93.9	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	146.7	173.7	174.8	0	0	0	0	111.3	Y279 N280 Y293 S294 R295	Y279-S291 WeakPolarHBondContact O-CA 3.18Å; Y279-S291 PolarHBondContact O-OG 3.06Å; N280-S291 VanDerWaalsContact OD1-CB 3.24Å; N280-S291 WeakPolarHBondContact OD1-CB 3.35Å; N280-S291 PolarHBondContact OD1-OG 3.47Å; S291-Y293 WeakPolarHBondContact OG-CB 3.21Å; S291-Y293 PolarHBondContact OG-N 2.79Å; S291-S294 PolarHBondContact O-OG 3.06Å; S291-R295 PolarHBondContact O-NE 2.83Å; S291-R295 VanDerWaalsContact O-NE 3.16Å; S291-R295 PolarHBondContact O-NH2 3.05Å
292	S	96.6	Very high	93.8	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.007	31%	0.313	C	S	.	.	S	Bend	trans	-73.3	-31.9	168.4	61.5	0	0	0	0	112	H278 Y279 S294 R295 N296 R297	H278-S292 WeakPolarHBondContact CA-OG 3.46Å; H278-S292 VanDerWaalsContact CB-OG 3.24Å; H278-S292 WeakPolarHBondContact CB-OG 3.44Å; H278-S292 PolarHBondContact ND1-OG 2.84Å; Y279-S292 PolarHBondContact N-OG 2.74Å; Y279-S292 PolarHBondContact O-N 3.35Å; Y279-S292 PolarHBondContact O-OG 3.26Å; S292-S294 VanDerWaalsContact C-N 3.29Å; S292-S294 PolarHBondContact O-N 2.8Å; S292-R295 PolarHBondContact O-N 2.97Å; S292-R295 VanDerWaalsContact O-N 3.09Å; S292-N296 PolarHBondContact O-N 2.89Å; S292-R297 WeakPolarHBondContact CB-O 3.17Å
293	Y	93.5	Very high	93.7	Very high	105 Å²	105	60.8 Å²	60.8	41%	0.412	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-64.7	-33.7	-177.1	-65	-80.9	0	0	0	112.3	H278 S291 R295 N296 H355	H278-Y293 HydrophobicContact CB-CD1 4.47Å; H278-Y293 HydrophobicContact CB-CD2 4.25Å; H278-Y293 HydrophobicContact CB-CE1 3.81Å; H278-Y293 HydrophobicContact CB-CE2 3.56Å; H278-Y293 WeakPolarHBondContact CB-OH 3.1Å; H278-Y293 AromaticContact CD2-CE1 3.46Å; H278-Y293 VanDerWaalsContact CD2-CE1 3.46Å; H278-Y293 WeakPolarHBondContact CD2-CE1 3.46Å; H278-Y293 AromaticContact CD2-CZ 3.86Å; H278-Y293 AromaticContact CG-CE1 3.64Å; H278-Y293 AromaticContact CG-CZ 3.71Å; S291-Y293 WeakPolarHBondContact OG-CB 3.21Å; S291-Y293 PolarHBondContact OG-N 2.79Å; Y293-R295 PolarHBondContact O-N 2.97Å; Y293-R295 VanDerWaalsContact O-N 3.16Å; Y293-N296 PolarHBondContact O-N 3.48Å; Y293-H355 PolarHBondContact OH-ND1 2.95Å
294	S	91.6	Very high	93.7	Very high	92 Å²	92	62 Å²	62	64%	0.643	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-63.1	-20.2	176.4	65.3	0	0	0	0	113.5	S291 S292	S291-S294 PolarHBondContact O-OG 3.06Å; S292-S294 VanDerWaalsContact C-N 3.29Å; S292-S294 PolarHBondContact O-N 2.8Å
295	R	91.3	Very high	93.8	Very high	96 Å²	96	66 Å²	66	36%	0.362	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-100.7	-0.5	177.7	-68	170.1	-76.7	176.9	-3.5	112.9	Y279 D290 S291 S292 Y293 R297	Y279-R295 VanDerWaalsContact CZ-NH2 3.33Å; Y279-R295 PolarHBondContact OH-NH2 2.83Å; D290-R295 IonicContact OD1-NH2 3.76Å; D290-R295 IonicContact OD2-CZ 2.72Å; D290-R295 IonicContact OD2-NH2 3.54Å; D290-R295 PolarHBondContact OD2-NH2 2.81Å; S291-R295 PolarHBondContact O-NE 2.83Å; S291-R295 VanDerWaalsContact O-NE 3.16Å; S291-R295 PolarHBondContact O-NH2 3.05Å; S292-R295 PolarHBondContact O-N 2.97Å; S292-R295 VanDerWaalsContact O-N 3.09Å; Y293-R295 PolarHBondContact O-N 2.97Å; Y293-R295 VanDerWaalsContact O-N 3.16Å; R295-R297 HydrophobicContact CB-CG 4.06Å; R295-R297 PolarHBondContact O-N 2.86Å; R295-R297 VanDerWaalsContact O-N 3.16Å
296	N	87.1	Confident	94	Very high	152 Å²	152	66.1 Å²	66.1	81%	0.813	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	38.1	-176.6	-160.2	41.5	0	0	0	113.8	S292 Y293	S292-N296 PolarHBondContact O-N 2.89Å; Y293-N296 PolarHBondContact O-N 3.48Å
297	R	89.6	Confident	94.1	Very high	166 Å²	166	71.2 Å²	71.2	63%	0.626	36%	0.355	S	S	*	.	S	Bend	trans	-150.2	153	177.3	71	-179.3	-151.5	-175.2	6.3	110.9	H278 S292 R295	H278-R297 PolarHBondContact CE1-O 2.7Å; H278-R297 PolarHBondContact ND1-O 2.92Å; S292-R297 WeakPolarHBondContact CB-O 3.17Å; R295-R297 HydrophobicContact CB-CG 4.06Å; R295-R297 PolarHBondContact O-N 2.86Å; R295-R297 VanDerWaalsContact O-N 3.16Å
298	T	93.5	Very high	94.3	Very high	28 Å²	28	68.8 Å²	68.8	17%	0.172	34%	0.34	C	S	.	.			trans	-69.3	161.1	173.5	48.3	0	0	0	0	111	R276 D300 I357	R276-T298 HydrophobicContact CB-CG2 4.32Å; T298-D300 WeakPolarHBondContact CB-OD1 3.3Å; T298-D300 PolarHBondContact OG1-OD1 3.3Å; T298-I357 HydrophobicContact CG2-CG1 3.8Å
299	Y	95.3	Very high	94.3	Very high	81 Å²	81	64.4 Å²	64.4	32%	0.318	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.9	160.3	-162.2	-79.5	0	0	0	108.1	Y277 Y279 V308	Y277-Y299 WeakPolarHBondContact CD1-O 3.42Å; Y277-Y299 AromaticContact CE1-CD1 3.92Å; Y277-Y299 HydrophobicContact CE1-CD1 3.92Å; Y277-Y299 AromaticContact CZ-CD1 3.78Å; Y277-Y299 PolarHBondContact N-O 2.99Å; Y277-Y299 VanDerWaalsContact N-O 3.08Å; Y277-Y299 PolarHBondContact O-N 3.26Å; Y277-Y299 WeakPolarHBondContact OH-CD1 3.44Å; Y279-Y299 AromaticContact CE1-CD2 3.84Å; Y279-Y299 HydrophobicContact CE1-CD2 3.84Å; Y279-Y299 HydrophobicContact CE1-CG 4.05Å; Y299-V308 HydrophobicContact CE1-CG1 3.54Å
300	D	94.4	Very high	94.4	Very high	62 Å²	62	65.5 Å²	65.5	33%	0.332	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126	-169.4	-53	-16.5	0	0	0	108.4	F274 I275 R276 T298	F274-D300 HydrophobicContact CE1-CB 4.06Å; F274-D300 HydrophobicContact CE2-CB 4.41Å; F274-D300 HydrophobicContact CZ-CB 3.62Å; I275-D300 WeakPolarHBondContact O-CA 3.41Å; R276-D300 HydrophobicContact CG-CB 4.39Å; R276-D300 WeakPolarHBondContact CG-OD1 3.33Å; T298-D300 WeakPolarHBondContact CB-OD1 3.3Å; T298-D300 PolarHBondContact OG1-OD1 3.3Å
301	T	95.4	Very high	94.5	Very high	8 Å²	8	63.3 Å²	63.3	5%	0.049	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	165.5	-177.3	-167.5	0	0	0	0	111.7	F274 I275 Y277 Y307 V308	F274-T301 CarbonylContact C-O 3.6Å; F274-T301 WeakPolarHBondContact CA-O 3.37Å; I275-T301 HydrophobicContact CG2-CG2 3.75Å; I275-T301 WeakPolarHBondContact CG2-O 3.29Å; I275-T301 PolarHBondContact N-O 3.35Å; I275-T301 PolarHBondContact O-N 3.31Å; I275-T301 VanDerWaalsContact O-N 3.12Å; Y277-T301 HydrophobicContact CE1-CG2 4.08Å; T301-Y307 WeakPolarHBondContact OG1-CB 3.49Å; T301-V308 HydrophobicContact CG2-CG1 4Å; T301-V308 HydrophobicContact CG2-CG2 4.49Å
302	Y	95.3	Very high	94.6	Very high	62 Å²	62	63.2 Å²	63.2	24%	0.243	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.9	166.2	-65.8	-89.9	0	0	0	109.9	D273 F274 Y307 P362	D273-Y302 CarbonylContact O-C 3.52Å; D273-Y302 VanDerWaalsContact O-CA 3.32Å; D273-Y302 WeakPolarHBondContact O-CA 3.5Å; F274-Y302 HydrophobicContact CB-CD1 3.92Å; F274-Y302 HydrophobicContact CB-CE1 3.72Å; F274-Y302 HydrophobicContact CD2-CD1 4.09Å; F274-Y302 AromaticContact CD2-CD2 3.93Å; F274-Y302 HydrophobicContact CD2-CD2 3.93Å; F274-Y302 AromaticContact CD2-CE1 3.8Å; F274-Y302 HydrophobicContact CD2-CE1 3.8Å; F274-Y302 AromaticContact CD2-CE2 3.6Å; F274-Y302 HydrophobicContact CD2-CE2 3.6Å; F274-Y302 HydrophobicContact CD2-CG 4.16Å; F274-Y302 AromaticContact CD2-CZ 3.53Å; F274-Y302 HydrophobicContact CE2-CE2 4.08Å; F274-Y302 HydrophobicContact CG-CE1 4.25Å; Y302-Y307 HydrophobicContact CD2-CD2 4.28Å; Y302-Y307 AromaticContact CD2-CE2 3.96Å; Y302-Y307 HydrophobicContact CD2-CE2 3.96Å; Y302-Y307 HydrophobicContact CG-CD2 4.48Å; Y302-Y307 HydrophobicContact CG-CE2 4.24Å; Y302-P362 HydrophobicContact CE1-CG 4.13Å
303	V	96.2	Very high	94.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	136.8	-176.3	-171.9	0	0	0	0	110.9	A271 G272 D273 I275 K305 D313 L316 I317	A271-V303 CarbonylContact C-O 3.54Å; A271-V303 WeakPolarHBondContact CA-O 3.48Å; G272-V303 PolarHBondContact N-O 2.95Å; D273-V303 PolarHBondContact O-N 3.07Å; I275-V303 HydrophobicContact CB-CG2 3.78Å; I275-V303 HydrophobicContact CD1-CG2 4.17Å; I275-V303 HydrophobicContact CG2-CG2 3.27Å; V303-K305 VanDerWaalsContact C-N 3.32Å; V303-K305 PolarHBondContact O-N 3.01Å; V303-D313 WeakPolarHBondContact CG1-O 3.34Å; V303-L316 HydrophobicContact CG1-CB 3.82Å; V303-L316 HydrophobicContact CG2-CB 4Å; V303-I317 HydrophobicContact CB-CD1 4.31Å; V303-I317 HydrophobicContact CG1-CD1 3.43Å; V303-I317 VanDerWaalsContact CG1-CD1 3.43Å; V303-I317 HydrophobicContact CG1-CG1 3.73Å
304	G	94.6	Very high	94.8	Very high	36 Å²	36	63.9 Å²	63.9	37%	0.371	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	27.3	173.7	0	0	0	0	0	113.4	D313	G304-D313 WeakPolarHBondContact CA-OD2 3.34Å; G304-D313 PolarHBondContact N-OD1 2.83Å; G304-D313 PolarHBondContact N-OD2 3.26Å
305	K	95.3	Very high	95	Very high	133 Å²	133	59.5 Å²	59.5	58%	0.578	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-1.5	180	-66.8	-65.7	-175.3	179.5	0	113.2	V303 Y307 D313	V303-K305 VanDerWaalsContact C-N 3.32Å; V303-K305 PolarHBondContact O-N 3.01Å; K305-Y307 HydrophobicContact CB-CD2 3.53Å; K305-Y307 HydrophobicContact CB-CE2 3.49Å; K305-Y307 VanDerWaalsContact CB-CE2 3.49Å; K305-Y307 HydrophobicContact CG-CE2 4.25Å; K305-D313 PolarHBondContact N-OD2 3.06Å; K305-D313 VanDerWaalsContact N-OD2 3.16Å
306	G	95.4	Very high	95.3	Very high	59 Å²	59	55 Å²	55	61%	0.608	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	18.9	178.5	0	0	0	0	0	114.5	D313	G306-D313 VanDerWaalsContact CA-OD2 3.27Å; G306-D313 WeakPolarHBondContact CA-OD2 3.28Å; G306-D313 PolarHBondContact N-OD2 3.17Å
307	Y	95.1	Very high	95.8	Very high	157 Å²	157	50.9 Å²	50.9	62%	0.616	26%	0.261	S	S	*	.	S	Bend	trans	-81.1	-19.1	178.3	-68.7	-66.7	0	0	0	113.5	T301 Y302 K305	T301-Y307 WeakPolarHBondContact OG1-CB 3.49Å; Y302-Y307 HydrophobicContact CD2-CD2 4.28Å; Y302-Y307 AromaticContact CD2-CE2 3.96Å; Y302-Y307 HydrophobicContact CD2-CE2 3.96Å; Y302-Y307 HydrophobicContact CG-CD2 4.48Å; Y302-Y307 HydrophobicContact CG-CE2 4.24Å; K305-Y307 HydrophobicContact CB-CD2 3.53Å; K305-Y307 HydrophobicContact CB-CE2 3.49Å; K305-Y307 VanDerWaalsContact CB-CE2 3.49Å; K305-Y307 HydrophobicContact CG-CE2 4.25Å
308	V	95.9	Very high	96.1	Very high	21 Å²	21	44.1 Å²	44.1	13%	0.127	24%	0.243	C	C	.	.	S	Bend	trans	-122.4	172.7	173.8	-66.4	0	0	0	0	110.1	Y299 T301 M312 D313	Y299-V308 HydrophobicContact CE1-CG1 3.54Å; T301-V308 HydrophobicContact CG2-CG1 4Å; T301-V308 HydrophobicContact CG2-CG2 4.49Å; V308-M312 HydrophobicContact CB-CB 4.34Å; V308-M312 HydrophobicContact CB-CG 4.44Å; V308-M312 HydrophobicContact CG2-CB 3.87Å; V308-M312 HydrophobicContact CG2-CG 3.94Å; V308-D313 HydrophobicContact CG2-CB 4.14Å; V308-D313 WeakPolarHBondContact CG2-OD1 3.36Å
309	I	97.2	Very high	96.3	Very high	31 Å²	31	42.8 Å²	42.8	16%	0.159	23%	0.234	C	C	.	.			trans	-52.3	141.6	174.3	60	175.8	0	0	0	110.6	G311 M312 D313 I329 Y335 L350 F352	I309-G311 PolarHBondContact O-N 2.74Å; I309-G311 VanDerWaalsContact O-N 3.11Å; I309-M312 HydrophobicContact CD1-CB 4.4Å; I309-M312 HydrophobicContact CG1-CB 3.68Å; I309-M312 WeakPolarHBondContact O-CB 3.4Å; I309-M312 PolarHBondContact O-N 2.94Å; I309-D313 PolarHBondContact O-N 2.98Å; I309-D313 VanDerWaalsContact O-N 3.08Å; I309-I329 HydrophobicContact CD1-CD1 3.8Å; I309-I329 HydrophobicContact CG1-CD1 4.41Å; I309-Y335 HydrophobicContact CG2-CD1 4.35Å; I309-Y335 HydrophobicContact CG2-CE1 3.87Å; I309-Y335 HydrophobicContact CG2-CE2 4.38Å; I309-L350 HydrophobicContact CD1-CD1 3.81Å; I309-F352 HydrophobicContact CD1-CE2 4.01Å; I309-F352 HydrophobicContact CD1-CZ 4.4Å
310	G	97.4	Very high	96.3	Very high	33 Å²	33	39.1 Å²	39.1	34%	0.34	22%	0.221	S	C	.	.	H	α-helix	trans	-53.9	-39.3	-170.4	0	0	0	0	0	113.4	M312 D313 E314 L333	G310-M312 VanDerWaalsContact C-N 3.32Å; G310-M312 PolarHBondContact O-N 2.81Å; G310-D313 WeakPolarHBondContact O-CB 3.33Å; G310-D313 PolarHBondContact O-N 2.68Å; G310-E314 WeakPolarHBondContact O-CG 3.44Å; G310-E314 PolarHBondContact O-N 2.98Å; G310-L333 PolarHBondContact N-O 2.85Å
311	G	97.4	Very high	96.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.9	-27	-179.9	0	0	0	0	0	114.3	V254 I309 G315 L333	V254-G311 VanDerWaalsContact CG2-CA 3.44Å; I309-G311 PolarHBondContact O-N 2.74Å; I309-G311 VanDerWaalsContact O-N 3.11Å; G311-G315 PolarHBondContact O-N 3.08Å; G311-L333 PolarHBondContact N-O 2.88Å
312	M	98	Very high	96.1	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-75.8	-41.3	172.4	-173.1	63.5	62.8	0	0	110.3	Y277 V308 I309 G310 E314 G315 L316 I327 I329 F352 I354	Y277-M312 HydrophobicContact CE2-SD 4.31Å; V308-M312 HydrophobicContact CB-CB 4.34Å; V308-M312 HydrophobicContact CB-CG 4.44Å; V308-M312 HydrophobicContact CG2-CB 3.87Å; V308-M312 HydrophobicContact CG2-CG 3.94Å; I309-M312 HydrophobicContact CD1-CB 4.4Å; I309-M312 HydrophobicContact CG1-CB 3.68Å; I309-M312 WeakPolarHBondContact O-CB 3.4Å; I309-M312 PolarHBondContact O-N 2.94Å; G310-M312 VanDerWaalsContact C-N 3.32Å; G310-M312 PolarHBondContact O-N 2.81Å; M312-E314 VanDerWaalsContact C-N 3.3Å; M312-E314 PolarHBondContact O-N 3.22Å; M312-G315 PolarHBondContact O-N 2.85Å; M312-L316 HydrophobicContact CG-CD1 3.64Å; M312-L316 HydrophobicContact CG-CG 4.1Å; M312-L316 WeakPolarHBondContact O-CB 3.47Å; M312-L316 VanDerWaalsContact O-CG 3.28Å; M312-L316 WeakPolarHBondContact O-CG 3.27Å; M312-L316 PolarHBondContact O-N 2.9Å; M312-L316 HydrophobicContact SD-CD1 3.83Å; M312-L316 HydrophobicContact SD-CD2 4.17Å; M312-L316 HydrophobicContact SD-CG 3.81Å; M312-I327 HydrophobicContact SD-CD1 3.87Å; M312-I329 HydrophobicContact CB-CD1 4.28Å; M312-I329 HydrophobicContact CE-CD1 4.24Å; M312-F352 HydrophobicContact CE-CB 3.84Å; M312-F352 HydrophobicContact CE-CD1 3.82Å; M312-F352 HydrophobicContact CE-CD2 3.47Å; M312-F352 VanDerWaalsContact CE-CD2 3.47Å; M312-F352 HydrophobicContact CE-CE1 4.19Å; M312-F352 HydrophobicContact CE-CE2 3.87Å; M312-F352 HydrophobicContact CE-CG 3.43Å; M312-F352 VanDerWaalsContact CE-CG 3.43Å; M312-F352 HydrophobicContact CE-CZ 4.2Å; M312-I354 HydrophobicContact CE-CD1 4.06Å; M312-I354 HydrophobicContact SD-CD1 4.06Å
313	D	96.9	Very high	96.1	Very high	15 Å²	15	36 Å²	36	8%	0.08	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-42.9	176.5	-117.9	19	0	0	0	111.5	V303 G304 K305 G306 V308 I309 G310 I317	V303-D313 WeakPolarHBondContact CG1-O 3.34Å; G304-D313 WeakPolarHBondContact CA-OD2 3.34Å; G304-D313 PolarHBondContact N-OD1 2.83Å; G304-D313 PolarHBondContact N-OD2 3.26Å; K305-D313 PolarHBondContact N-OD2 3.06Å; K305-D313 VanDerWaalsContact N-OD2 3.16Å; G306-D313 VanDerWaalsContact CA-OD2 3.27Å; G306-D313 WeakPolarHBondContact CA-OD2 3.28Å; G306-D313 PolarHBondContact N-OD2 3.17Å; V308-D313 HydrophobicContact CG2-CB 4.14Å; V308-D313 WeakPolarHBondContact CG2-OD1 3.36Å; I309-D313 PolarHBondContact O-N 2.98Å; I309-D313 VanDerWaalsContact O-N 3.08Å; G310-D313 WeakPolarHBondContact O-CB 3.33Å; G310-D313 PolarHBondContact O-N 2.68Å; D313-I317 WeakPolarHBondContact O-CG1 3.47Å
314	E	97.3	Very high	96.2	Very high	105 Å²	105	40.3 Å²	40.3	49%	0.491	23%	0.231	S	C	.	.	H	α-helix	trans	-69.9	-44.3	172.5	-71.1	178	-155.5	0	0	112.1	V254 G310 M312 L316 I317	V254-E314 HydrophobicContact CG2-CB 4.05Å; V254-E314 WeakPolarHBondContact CG2-OE2 3.45Å; G310-E314 WeakPolarHBondContact O-CG 3.44Å; G310-E314 PolarHBondContact O-N 2.98Å; M312-E314 VanDerWaalsContact C-N 3.3Å; M312-E314 PolarHBondContact O-N 3.22Å; E314-L316 VanDerWaalsContact C-N 3.3Å; E314-L316 PolarHBondContact O-N 3.22Å; E314-I317 PolarHBondContact O-N 3.11Å
315	G	97.1	Very high	96.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.3	-19.9	-174	0	0	0	0	0	115.3	G311 M312 R325	G311-G315 PolarHBondContact O-N 3.08Å; M312-G315 PolarHBondContact O-N 2.85Å; G315-R325 PolarHBondContact O-NH1 2.77Å
316	L	97.9	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.2	177.2	-68	173.3	0	0	0	113.7	S269 I275 Y277 V303 M312 E314 V319 I327 I354 I356	S269-L316 PolarHBondContact OG-O 3.33Å; I275-L316 HydrophobicContact CD1-CD2 4.45Å; I275-L316 HydrophobicContact CG2-CD1 4.24Å; Y277-L316 HydrophobicContact CD1-CD1 4.12Å; Y277-L316 HydrophobicContact CD1-CD2 4.45Å; Y277-L316 HydrophobicContact CE1-CD1 3.54Å; Y277-L316 HydrophobicContact CE2-CD1 4.48Å; Y277-L316 HydrophobicContact CG-CD2 4.46Å; V303-L316 HydrophobicContact CG1-CB 3.82Å; V303-L316 HydrophobicContact CG2-CB 4Å; M312-L316 HydrophobicContact CG-CD1 3.64Å; M312-L316 HydrophobicContact CG-CG 4.1Å; M312-L316 WeakPolarHBondContact O-CB 3.47Å; M312-L316 VanDerWaalsContact O-CG 3.28Å; M312-L316 WeakPolarHBondContact O-CG 3.27Å; M312-L316 PolarHBondContact O-N 2.9Å; M312-L316 HydrophobicContact SD-CD1 3.83Å; M312-L316 HydrophobicContact SD-CD2 4.17Å; M312-L316 HydrophobicContact SD-CG 3.81Å; E314-L316 VanDerWaalsContact C-N 3.3Å; E314-L316 PolarHBondContact O-N 3.22Å; L316-V319 VanDerWaalsContact O-CG1 3.31Å; L316-V319 WeakPolarHBondContact O-CG1 3.36Å; L316-I327 HydrophobicContact CD2-CD1 4.36Å; L316-I354 HydrophobicContact CD2-CG2 4.04Å; L316-I356 HydrophobicContact CD2-CD1 3.89Å
317	I	97.1	Very high	96.6	Very high	66 Å²	66	33.5 Å²	33.5	34%	0.338	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	143.5	172.9	-66.8	-70.7	0	0	0	110.2	A271 V303 D313 E314 V319 R325	A271-I317 HydrophobicContact CB-CD1 4.11Å; V303-I317 HydrophobicContact CB-CD1 4.31Å; V303-I317 HydrophobicContact CG1-CD1 3.43Å; V303-I317 VanDerWaalsContact CG1-CD1 3.43Å; V303-I317 HydrophobicContact CG1-CG1 3.73Å; D313-I317 WeakPolarHBondContact O-CG1 3.47Å; E314-I317 PolarHBondContact O-N 3.11Å; I317-V319 VanDerWaalsContact C-N 3.29Å; I317-V319 PolarHBondContact O-N 3.17Å; I317-R325 PolarHBondContact O-NH1 2.81Å; I317-R325 VanDerWaalsContact O-NH1 3.13Å
318	G	96.1	Very high	96.7	Very high	24 Å²	24	27.8 Å²	27.8	25%	0.247	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	20.5	175.9	0	0	0	0	0	114.3	S269 R325	S269-G318 WeakPolarHBondContact O-CA 3.3Å; S269-G318 PolarHBondContact O-N 3.45Å; S269-G318 PolarHBondContact OG-N 2.92Å; G318-R325 PolarHBondContact O-NH2 3.32Å
319	V	96.8	Very high	96.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-76.4	150.1	175.5	-55.8	0	0	0	0	112.6	K268 S269 I275 L316 I317 E323 R325 I356 F359	K268-V319 CarbonylContact C-O 3.54Å; K268-V319 VanDerWaalsContact CA-O 3.23Å; K268-V319 WeakPolarHBondContact CA-O 3.36Å; S269-V319 PolarHBondContact N-O 2.94Å; S269-V319 VanDerWaalsContact OG-CG2 3.27Å; S269-V319 WeakPolarHBondContact OG-CG2 3.4Å; S269-V319 PolarHBondContact OG-N 3.12Å; I275-V319 HydrophobicContact CD1-CG2 3.55Å; L316-V319 VanDerWaalsContact O-CG1 3.31Å; L316-V319 WeakPolarHBondContact O-CG1 3.36Å; I317-V319 VanDerWaalsContact C-N 3.29Å; I317-V319 PolarHBondContact O-N 3.17Å; V319-E323 VanDerWaalsContact CA-OE2 3.31Å; V319-E323 WeakPolarHBondContact CA-OE2 3.35Å; V319-R325 VanDerWaalsContact CG1-NH2 3.34Å; V319-I356 HydrophobicContact CB-CD1 4.29Å; V319-I356 HydrophobicContact CB-CG1 3.91Å; V319-I356 HydrophobicContact CG1-CD1 3.98Å; V319-I356 HydrophobicContact CG1-CG1 4.02Å; V319-I356 HydrophobicContact CG2-CD1 4.09Å; V319-I356 HydrophobicContact CG2-CG1 3.95Å; V319-I356 HydrophobicContact CG2-CG2 4.04Å; V319-F359 HydrophobicContact CG2-CD1 4.02Å; V319-F359 HydrophobicContact CG2-CE1 3.88Å; V319-F359 WeakPolarHBondContact O-CE1 3.49Å; V319-F359 WeakPolarHBondContact O-CZ 3.48Å
320	C	95.3	Very high	96.8	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.027	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-95.8	154.2	165.6	-56.9	0	0	0	0	110.4	I261 C265 E323	I261-C320 HydrophobicContact CG2-CB 4.18Å; C265-C320 HydrophobicContact CB-CB 3.78Å; C265-C320 WeakPolarHBondContact CB-SG 3.26Å; C265-C320 WeakPolarHBondContact SG-CB 3.17Å; C265-C320 CovalentContact SG-SG 2.02Å; C265-C320 PolarHBondContact SG-SG 2.99Å; C320-E323 HydrophobicContact CB-CB 4.22Å; C320-E323 PolarHBondContact N-OE2 3.44Å; C320-E323 WeakPolarHBondContact O-CB 3.37Å; C320-E323 PolarHBondContact O-N 3.15Å; C320-E323 VanDerWaalsContact O-N 3.17Å
321	I	93	Very high	96.7	Very high	45 Å²	45	24.2 Å²	24.2	23%	0.231	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	136.9	172.1	-65.6	172	0	0	0	108.9	E323 I357 F359 M396	I321-E323 PolarHBondContact O-N 2.88Å; I321-I357 WeakPolarHBondContact CG2-O 3.4Å; I321-F359 HydrophobicContact CD1-CE1 4.4Å; I321-F359 HydrophobicContact CG1-CD1 3.9Å; I321-F359 HydrophobicContact CG1-CE1 3.48Å; I321-F359 VanDerWaalsContact CG1-CE1 3.48Å; I321-F359 HydrophobicContact CG1-CZ 3.99Å; I321-M396 HydrophobicContact CD1-CE 3.85Å; I321-M396 HydrophobicContact CD1-CG 3.93Å; I321-M396 HydrophobicContact CD1-SD 4.2Å; I321-M396 HydrophobicContact CG2-CB 4.43Å; I321-M396 HydrophobicContact CG2-CG 3.49Å; I321-M396 VanDerWaalsContact CG2-CG 3.49Å
322	G	93.2	Very high	96.7	Very high	21 Å²	21	29 Å²	29	22%	0.216	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-2	-175	0	0	0	0	0	115	P262 I356	P262-G322 VanDerWaalsContact CG-C 3.49Å; P262-G322 WeakPolarHBondContact CG-O 3.4Å; G322-I356 WeakPolarHBondContact CA-O 3.2Å; G322-I356 PolarHBondContact N-O 3.13Å
323	E	95.9	Very high	96.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.154	C	C	.	.			trans	-63.7	140.3	-177.3	-168.9	-175.7	149.1	0	0	112.3	N258 D260 I261 V319 C320 I321 R325 H355 I356	N258-E323 PolarHBondContact ND2-OE1 3.38Å; D260-E323 WeakPolarHBondContact O-CA 3.44Å; D260-E323 WeakPolarHBondContact O-CG 3.22Å; I261-E323 HydrophobicContact CG1-CG 4Å; V319-E323 VanDerWaalsContact CA-OE2 3.31Å; V319-E323 WeakPolarHBondContact CA-OE2 3.35Å; C320-E323 HydrophobicContact CB-CB 4.22Å; C320-E323 PolarHBondContact N-OE2 3.44Å; C320-E323 WeakPolarHBondContact O-CB 3.37Å; C320-E323 PolarHBondContact O-N 3.15Å; C320-E323 VanDerWaalsContact O-N 3.17Å; I321-E323 PolarHBondContact O-N 2.88Å; E323-R325 IonicContact OE1-CZ 2.8Å; E323-R325 IonicContact OE1-NE 3.45Å; E323-R325 PolarHBondContact OE1-NE 2.77Å; E323-R325 IonicContact OE1-NH2 2.68Å; E323-R325 PolarHBondContact OE1-NH2 3.45Å; E323-R325 IonicContact OE2-CZ 2.71Å; E323-R325 IonicContact OE2-NE 3.04Å; E323-R325 IonicContact OE2-NH2 3.23Å; E323-R325 PolarHBondContact OE2-NH2 2.89Å; E323-H355 WeakPolarHBondContact O-CA 3.4Å; E323-I356 HydrophobicContact CB-CG1 4.23Å; E323-I356 PolarHBondContact O-N 2.76Å
324	K	97.3	Very high	96.6	Very high	90 Å²	90	30.4 Å²	30.4	39%	0.391	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.9	165.5	-62.9	174.9	-176.1	167.3	0	110.3	Q259 D260 I354 H355	Q259-K324 WeakPolarHBondContact CA-O 3.24Å; Q259-K324 HydrophobicContact CB-CB 4.28Å; Q259-K324 WeakPolarHBondContact CB-O 3.11Å; Q259-K324 PolarHBondContact N-O 2.91Å; D260-K324 HydrophobicContact CB-CB 4.19Å; D260-K324 PolarHBondContact N-O 3.47Å; D260-K324 PolarHBondContact O-N 3.09Å; K324-I354 WeakPolarHBondContact CA-O 3.46Å; K324-H355 HydrophobicContact CG-CB 4.18Å
325	R	97.5	Very high	96.6	Very high	8 Å²	8	30.2 Å²	30.2	3%	0.03	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.7	178.1	63.5	171.6	61.6	175.6	0.6	111.3	I257 G315 I317 G318 V319 E323 I327 I354	I257-R325 CarbonylContact O-C 3.5Å; I257-R325 WeakPolarHBondContact O-CA 3.35Å; G315-R325 PolarHBondContact O-NH1 2.77Å; I317-R325 PolarHBondContact O-NH1 2.81Å; I317-R325 VanDerWaalsContact O-NH1 3.13Å; G318-R325 PolarHBondContact O-NH2 3.32Å; V319-R325 VanDerWaalsContact CG1-NH2 3.34Å; E323-R325 IonicContact OE1-CZ 2.8Å; E323-R325 IonicContact OE1-NE 3.45Å; E323-R325 PolarHBondContact OE1-NE 2.77Å; E323-R325 IonicContact OE1-NH2 2.68Å; E323-R325 PolarHBondContact OE1-NH2 3.45Å; E323-R325 IonicContact OE2-CZ 2.71Å; E323-R325 IonicContact OE2-NE 3.04Å; E323-R325 IonicContact OE2-NH2 3.23Å; E323-R325 PolarHBondContact OE2-NH2 2.89Å; R325-I327 HydrophobicContact CG-CG1 4.26Å; R325-I354 HydrophobicContact CG-CB 4.11Å; R325-I354 PolarHBondContact N-O 3.25Å; R325-I354 WeakPolarHBondContact O-CB 3.3Å; R325-I354 PolarHBondContact O-N 3.48Å
326	R	97.9	Very high	96.5	Very high	77 Å²	77	31.4 Å²	31.4	29%	0.291	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.5	169.3	176.5	172.5	-70.5	-169.6	-8.1	109.9	I257 I328 V351 F352 D353	I257-R326 HydrophobicContact CB-CB 4.25Å; I257-R326 PolarHBondContact N-O 2.78Å; I257-R326 PolarHBondContact O-N 3.34Å; R326-I328 HydrophobicContact CG-CG1 4.29Å; R326-V351 HydrophobicContact CG-CG1 3.85Å; R326-F352 CarbonylContact C-O 3.54Å; R326-F352 VanDerWaalsContact CA-O 3.27Å; R326-F352 WeakPolarHBondContact CA-O 3.38Å; R326-D353 WeakPolarHBondContact CB-OD1 3.41Å; R326-D353 IonicContact CZ-OD1 3.45Å; R326-D353 IonicContact CZ-OD2 3.87Å; R326-D353 IonicContact NE-OD1 3Å; R326-D353 PolarHBondContact NE-OD1 2.97Å; R326-D353 IonicContact NE-OD2 3.98Å; R326-D353 IonicContact NH2-OD1 3.79Å; R326-D353 PolarHBondContact NH2-OD1 2.54Å; R326-D353 VanDerWaalsContact NH2-OD1 3.13Å; R326-D353 IonicContact NH2-OD2 3.75Å; R326-D353 PolarHBondContact NH2-OD2 3.16Å
327	I	98	Very high	96.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.8	177.6	-51.8	174	0	0	0	107.8	V254 M312 L316 R325 I329 F352 I354	V254-I327 HydrophobicContact CG1-CG2 3.4Å; M312-I327 HydrophobicContact SD-CD1 3.87Å; L316-I327 HydrophobicContact CD2-CD1 4.36Å; R325-I327 HydrophobicContact CG-CG1 4.26Å; I327-I329 HydrophobicContact CG2-CD1 4.09Å; I327-I329 HydrophobicContact CG2-CG1 3.74Å; I327-F352 PolarHBondContact N-O 3Å; I327-F352 PolarHBondContact O-N 2.81Å; I327-I354 HydrophobicContact CD1-CG1 3.64Å; I327-I354 HydrophobicContact CG1-CG1 4.1Å
328	I	97.3	Very high	96.1	Very high	37 Å²	37	44.9 Å²	44.9	19%	0.19	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.1	176.3	-54.4	172.8	0	0	0	107.7	S255 I257 R326 V349 L350 V351	S255-I328 PolarHBondContact N-O 3.12Å; S255-I328 PolarHBondContact O-N 3.08Å; I257-I328 HydrophobicContact CD1-CD1 4.14Å; R326-I328 HydrophobicContact CG-CG1 4.29Å; I328-V349 HydrophobicContact CG2-CG1 3.5Å; I328-L350 CarbonylContact C-O 3.59Å; I328-L350 WeakPolarHBondContact CA-O 3.37Å; I328-V351 HydrophobicContact CG1-CG1 4.39Å; I328-V351 HydrophobicContact CG1-CG2 4.36Å; I328-V351 HydrophobicContact CG2-CG2 4.47Å
329	I	98.1	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.7	-168.8	-58.9	175.1	0	0	0	109.1	I309 M312 I327 L333 V349 L350 F352	I309-I329 HydrophobicContact CD1-CD1 3.8Å; I309-I329 HydrophobicContact CG1-CD1 4.41Å; M312-I329 HydrophobicContact CB-CD1 4.28Å; M312-I329 HydrophobicContact CE-CD1 4.24Å; I327-I329 HydrophobicContact CG2-CD1 4.09Å; I327-I329 HydrophobicContact CG2-CG1 3.74Å; I329-L333 HydrophobicContact CG2-CB 3.84Å; I329-L333 WeakPolarHBondContact CG2-O 3.23Å; I329-V349 WeakPolarHBondContact O-CA 3.49Å; I329-L350 HydrophobicContact CB-CB 4.31Å; I329-L350 PolarHBondContact N-O 2.84Å; I329-L350 PolarHBondContact O-N 2.87Å; I329-F352 HydrophobicContact CD1-CD2 3.78Å; I329-F352 HydrophobicContact CD1-CE2 3.92Å
330	P	97	Very high	95.9	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.032	24%	0.242	C	C	.	.			trans	-69	158.8	173.9	30.6	-35.1	0	0	0	110.9	D252 G253 H332 L333 G334	D252-P330 HydrophobicContact CB-CB 4.26Å; D252-P330 HydrophobicContact CB-CG 4.36Å; G253-P330 WeakPolarHBondContact O-CD 3.12Å; P330-H332 VanDerWaalsContact C-N 3.31Å; P330-H332 VanDerWaalsContact CG-CE1 3.49Å; P330-H332 WeakPolarHBondContact CG-CE1 3.11Å; P330-H332 PolarHBondContact O-N 2.89Å; P330-L333 HydrophobicContact CG-CB 4.36Å; P330-L333 HydrophobicContact CG-CD1 4.06Å; P330-L333 HydrophobicContact CG-CG 4.3Å; P330-L333 PolarHBondContact O-N 2.83Å; P330-G334 PolarHBondContact O-N 2.92Å
331	P	96.6	Very high	95.7	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.032	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-60.9	-35.9	-168.1	-23.3	33	0	0	0	114.1	L333 G334 Y335 G336 S347	P331-L333 PolarHBondContact O-N 2.92Å; P331-G334 CarbonylContact O-C 3.52Å; P331-G334 WeakPolarHBondContact O-CA 3.48Å; P331-G334 PolarHBondContact O-N 2.97Å; P331-Y335 PolarHBondContact O-N 2.81Å; P331-G336 VanDerWaalsContact O-CA 3.28Å; P331-G336 WeakPolarHBondContact O-CA 3.43Å; P331-G336 PolarHBondContact O-N 3.26Å; P331-S347 WeakPolarHBondContact CG-O 3.05Å
332	H	95.7	Very high	95.6	Very high	100 Å²	100	55.7 Å²	55.7	46%	0.463	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-68.6	-14.3	179.5	65.3	-90.3	0	0	0	113.8	P250 D252 P330	P250-H332 PolarHBondContact O-CE1 3.46Å; D252-H332 PolarHBondContact O-CE1 2.81Å; D252-H332 PolarHBondContact O-NE2 2.76Å; D252-H332 VanDerWaalsContact O-NE2 3.12Å; P330-H332 VanDerWaalsContact C-N 3.31Å; P330-H332 VanDerWaalsContact CG-CE1 3.49Å; P330-H332 WeakPolarHBondContact CG-CE1 3.11Å; P330-H332 PolarHBondContact O-N 2.89Å
333	L	97.6	Very high	95.6	Very high	31 Å²	31	61 Å²	61	16%	0.162	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-105.1	1.5	169.5	-63.9	178.8	0	0	0	112.4	V254 G310 G311 I329 P330 P331	V254-L333 HydrophobicContact CG2-CD1 3.57Å; G310-L333 PolarHBondContact N-O 2.85Å; G311-L333 PolarHBondContact N-O 2.88Å; I329-L333 HydrophobicContact CG2-CB 3.84Å; I329-L333 WeakPolarHBondContact CG2-O 3.23Å; P330-L333 HydrophobicContact CG-CB 4.36Å; P330-L333 HydrophobicContact CG-CD1 4.06Å; P330-L333 HydrophobicContact CG-CG 4.3Å; P330-L333 PolarHBondContact O-N 2.83Å; P331-L333 PolarHBondContact O-N 2.92Å
334	G	97.1	Very high	95.6	Very high	19 Å²	19	61.5 Å²	61.5	20%	0.196	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-118.8	179.4	0	0	0	0	0	111.8	P330 P331	P330-G334 PolarHBondContact O-N 2.92Å; P331-G334 CarbonylContact O-C 3.52Å; P331-G334 WeakPolarHBondContact O-CA 3.48Å; P331-G334 PolarHBondContact O-N 2.97Å
335	Y	96.8	Very high	95.5	Very high	100 Å²	100	58.9 Å²	58.9	39%	0.392	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	13.4	-177.9	-63.9	-71.9	0	0	0	114.2	I309 P331 G339 T340 I344 L350	I309-Y335 HydrophobicContact CG2-CD1 4.35Å; I309-Y335 HydrophobicContact CG2-CE1 3.87Å; I309-Y335 HydrophobicContact CG2-CE2 4.38Å; P331-Y335 PolarHBondContact O-N 2.81Å; Y335-G339 PolarHBondContact O-N 2.97Å; Y335-G339 VanDerWaalsContact O-N 3.12Å; Y335-T340 HydrophobicContact CD1-CG2 3.54Å; Y335-T340 HydrophobicContact CD2-CG2 3.57Å; Y335-T340 HydrophobicContact CE1-CG2 3.64Å; Y335-T340 HydrophobicContact CE2-CG2 3.65Å; Y335-T340 HydrophobicContact CG-CG2 3.51Å; Y335-I344 HydrophobicContact CD2-CD1 3.81Å; Y335-I344 HydrophobicContact CD2-CG2 3.96Å; Y335-I344 HydrophobicContact CE2-CD1 3.52Å; Y335-L350 HydrophobicContact CD2-CD1 3.71Å; Y335-L350 HydrophobicContact CE2-CD1 3.86Å
336	G	94.7	Very high	95.3	Very high	25 Å²	25	59.2 Å²	59.2	26%	0.258	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	-158.9	172.8	0	0	0	0	0	114.8	P331 E338 S347	P331-G336 VanDerWaalsContact O-CA 3.28Å; P331-G336 WeakPolarHBondContact O-CA 3.43Å; P331-G336 PolarHBondContact O-N 3.26Å; G336-E338 VanDerWaalsContact C-N 3.27Å; G336-E338 PolarHBondContact O-N 3.35Å; G336-S347 PolarHBondContact O-N 3.01Å
337	E	92.8	Very high	95.1	Very high	162 Å²	162	56 Å²	56	76%	0.757	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.6	-178.9	-64	-177.4	178.7	0	0	113.1	G346	E337-G346 WeakPolarHBondContact O-CA 3.16Å
338	E	93.3	Very high	95	Very high	188 Å²	188	56.1 Å²	56.1	88%	0.879	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-29.4	-178	-61.1	-171.9	150.3	0	0	112.5	G336	G336-E338 VanDerWaalsContact C-N 3.27Å; G336-E338 PolarHBondContact O-N 3.35Å
339	G	94.1	Very high	95	Very high	14 Å²	14	54.6 Å²	54.6	14%	0.144	31%	0.31	C	S	.	.			trans	73	-161.1	-174	0	0	0	0	0	111.9	Y335	Y335-G339 PolarHBondContact O-N 2.97Å; Y335-G339 VanDerWaalsContact O-N 3.12Å
340	T	95.3	Very high	95	Very high	62 Å²	62	54.6 Å²	54.6	38%	0.38	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-153.9	139.5	175.9	-170.3	0	0	0	0	113.4	Y335 I344	Y335-T340 HydrophobicContact CD1-CG2 3.54Å; Y335-T340 HydrophobicContact CD2-CG2 3.57Å; Y335-T340 HydrophobicContact CE1-CG2 3.64Å; Y335-T340 HydrophobicContact CE2-CG2 3.65Å; Y335-T340 HydrophobicContact CG-CG2 3.51Å; T340-I344 HydrophobicContact CG2-CB 3.87Å; T340-I344 HydrophobicContact CG2-CD1 3.76Å; T340-I344 HydrophobicContact CG2-CG1 4.25Å; T340-I344 HydrophobicContact CG2-CG2 4.36Å; T340-I344 PolarHBondContact N-O 3.47Å; T340-I344 PolarHBondContact O-N 3.44Å
341	G	91.8	Very high	95	Very high	75 Å²	75	54.8 Å²	54.8	77%	0.773	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	-148.8	-177.5	0	0	0	0	0	112.4
342	T	89.6	Confident	95.1	Very high	148 Å²	148	55 Å²	55	91%	0.908	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-9.9	179.7	55.4	0	0	0	0	113.6
343	K	93.7	Very high	95.2	Very high	132 Å²	132	52.1 Å²	52.1	57%	0.574	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-26.3	-172.8	-61.8	-173.8	177.9	178.4	0	113.7	F289 P345	F289-K343 HydrophobicContact CB-CB 3.92Å; F289-K343 HydrophobicContact CB-CD 4.32Å; F289-K343 WeakPolarHBondContact O-CD 3.33Å; F289-K343 PolarHBondContact O-NZ 3.29Å; K343-P345 WeakPolarHBondContact O-CD 3.49Å
344	I	96.1	Very high	95.2	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.072	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-110.8	103.1	179.9	-58.5	178.6	0	0	0	107.7	F289 Y335 T340 A348 L350	F289-I344 HydrophobicContact CB-CG1 4.36Å; F289-I344 HydrophobicContact CD1-CG1 4.31Å; F289-I344 HydrophobicContact CD2-CD1 3.76Å; F289-I344 HydrophobicContact CD2-CG1 4Å; F289-I344 HydrophobicContact CE2-CD1 3.74Å; F289-I344 HydrophobicContact CE2-CG1 4.39Å; F289-I344 HydrophobicContact CG-CD1 4.23Å; F289-I344 HydrophobicContact CG-CG1 3.99Å; F289-I344 HydrophobicContact CZ-CD1 4.14Å; Y335-I344 HydrophobicContact CD2-CD1 3.81Å; Y335-I344 HydrophobicContact CD2-CG2 3.96Å; Y335-I344 HydrophobicContact CE2-CD1 3.52Å; T340-I344 HydrophobicContact CG2-CB 3.87Å; T340-I344 HydrophobicContact CG2-CD1 3.76Å; T340-I344 HydrophobicContact CG2-CG1 4.25Å; T340-I344 HydrophobicContact CG2-CG2 4.36Å; T340-I344 PolarHBondContact N-O 3.47Å; T340-I344 PolarHBondContact O-N 3.44Å; I344-A348 HydrophobicContact CG2-CB 4.32Å; I344-L350 HydrophobicContact CD1-CD2 4.31Å; I344-L350 HydrophobicContact CG2-CD2 3.75Å
345	P	94.3	Very high	95.2	Very high	34 Å²	34	52.2 Å²	52.2	22%	0.221	29%	0.294	C	S	.	.			trans	-71.7	164.7	178.3	24.9	-25.3	0	0	0	111.6	R164 L283 K343 A348	R164-P345 VanDerWaalsContact CZ-CG 3.4Å; L283-P345 HydrophobicContact CD1-CG 4.16Å; K343-P345 WeakPolarHBondContact O-CD 3.49Å; P345-A348 HydrophobicContact CG-CB 4.02Å; P345-A348 WeakPolarHBondContact O-CB 3.34Å; P345-A348 PolarHBondContact O-N 3.35Å
346	G	94.1	Very high	95.2	Very high	16 Å²	16	47.4 Å²	47.4	17%	0.165	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	145.4	172.6	0	0	0	0	0	112.8	E337 A348	E337-G346 WeakPolarHBondContact O-CA 3.16Å; G346-A348 PolarHBondContact O-N 3.09Å; G346-A348 VanDerWaalsContact O-N 3.11Å
347	S	93.8	Very high	95.2	Very high	8 Å²	8	46.8 Å²	46.8	6%	0.056	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	22.6	178.9	-53.3	0	0	0	0	114.7	P331 G336	P331-S347 WeakPolarHBondContact CG-O 3.05Å; G336-S347 PolarHBondContact O-N 3.01Å
348	A	95.9	Very high	95.3	Very high	3 Å²	3	39 Å²	39	3%	0.025	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-80.6	135.6	-179.1	0	0	0	0	0	112.6	D246 L283 I344 P345 G346	D246-A348 VanDerWaalsContact OD2-CA 3.3Å; D246-A348 WeakPolarHBondContact OD2-CA 3.44Å; L283-A348 HydrophobicContact CD2-CB 4.14Å; I344-A348 HydrophobicContact CG2-CB 4.32Å; P345-A348 HydrophobicContact CG-CB 4.02Å; P345-A348 WeakPolarHBondContact O-CB 3.34Å; P345-A348 PolarHBondContact O-N 3.35Å; G346-A348 PolarHBondContact O-N 3.09Å; G346-A348 VanDerWaalsContact O-N 3.11Å
349	V	96.6	Very high	95.4	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.03	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-79.5	130.2	167.7	178.4	0	0	0	0	108.7	D246 H248 L284 I328 I329	D246-V349 VanDerWaalsContact OD1-CB 3.23Å; D246-V349 WeakPolarHBondContact OD1-CB 3.33Å; D246-V349 WeakPolarHBondContact OD1-CG2 3.49Å; D246-V349 PolarHBondContact OD2-N 3.41Å; H248-V349 HydrophobicContact CB-CG2 3.64Å; L284-V349 HydrophobicContact CB-CB 4.21Å; L284-V349 HydrophobicContact CB-CG1 4.43Å; L284-V349 HydrophobicContact CD1-CG1 4.34Å; L284-V349 HydrophobicContact CD2-CB 4.22Å; L284-V349 HydrophobicContact CD2-CG1 4.27Å; L284-V349 HydrophobicContact CD2-CG2 4.42Å; I328-V349 HydrophobicContact CG2-CG1 3.5Å; I329-V349 WeakPolarHBondContact O-CA 3.49Å
350	L	97.9	Very high	95.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.3	-179.2	-47.7	176.6	0	0	0	110.1	L283 F289 I309 I328 I329 Y335 I344 F352	L283-L350 HydrophobicContact CD2-CD2 4.26Å; F289-L350 HydrophobicContact CE1-CD2 4.06Å; F289-L350 HydrophobicContact CZ-CD2 4.24Å; I309-L350 HydrophobicContact CD1-CD1 3.81Å; I328-L350 CarbonylContact C-O 3.59Å; I328-L350 WeakPolarHBondContact CA-O 3.37Å; I329-L350 HydrophobicContact CB-CB 4.31Å; I329-L350 PolarHBondContact N-O 2.84Å; I329-L350 PolarHBondContact O-N 2.87Å; Y335-L350 HydrophobicContact CD2-CD1 3.71Å; Y335-L350 HydrophobicContact CE2-CD1 3.86Å; I344-L350 HydrophobicContact CD1-CD2 4.31Å; I344-L350 HydrophobicContact CG2-CD2 3.75Å; L350-F352 HydrophobicContact CB-CD2 4.14Å; L350-F352 HydrophobicContact CB-CE2 3.62Å; L350-F352 HydrophobicContact CB-CZ 4.44Å; L350-F352 HydrophobicContact CD1-CE2 3.9Å; L350-F352 HydrophobicContact CD1-CZ 4.32Å; L350-F352 HydrophobicContact CG-CE2 4.4Å
351	V	97.6	Very high	95.3	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.048	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.2	173.8	-175.4	0	0	0	0	108.2	G281 S282 L284 R326 I328	G281-V351 WeakPolarHBondContact CA-O 3.24Å; S282-V351 PolarHBondContact N-O 3.11Å; S282-V351 WeakPolarHBondContact O-CA 3.48Å; S282-V351 WeakPolarHBondContact O-CB 3.45Å; S282-V351 PolarHBondContact O-N 3.49Å; L284-V351 HydrophobicContact CD1-CG2 3.93Å; R326-V351 HydrophobicContact CG-CG1 3.85Å; I328-V351 HydrophobicContact CG1-CG1 4.39Å; I328-V351 HydrophobicContact CG1-CG2 4.36Å; I328-V351 HydrophobicContact CG2-CG2 4.47Å
352	F	98.4	Very high	95.2	Very high	11 Å²	11	28.4 Å²	28.4	5%	0.048	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.5	176.6	-70.3	-83.8	0	0	0	110.6	Y279 N280 F289 I309 M312 R326 I327 I329 L350 I354	Y279-F352 AromaticContact CD2-CD1 3.72Å; Y279-F352 HydrophobicContact CD2-CD1 3.72Å; Y279-F352 AromaticContact CD2-CE1 3.84Å; Y279-F352 HydrophobicContact CD2-CE1 3.84Å; Y279-F352 HydrophobicContact CE2-CD1 4.34Å; Y279-F352 AromaticContact CE2-CE1 3.98Å; Y279-F352 HydrophobicContact CE2-CE1 3.98Å; Y279-F352 HydrophobicContact CG-CD1 4.26Å; N280-F352 WeakPolarHBondContact O-CA 3.27Å; F289-F352 HydrophobicContact CE2-CE1 4.02Å; F289-F352 HydrophobicContact CE2-CZ 4.05Å; F289-F352 AromaticContact CZ-CE1 3.81Å; F289-F352 HydrophobicContact CZ-CE1 3.81Å; F289-F352 HydrophobicContact CZ-CE2 4.32Å; F289-F352 AromaticContact CZ-CZ 3.64Å; F289-F352 HydrophobicContact CZ-CZ 3.64Å; I309-F352 HydrophobicContact CD1-CE2 4.01Å; I309-F352 HydrophobicContact CD1-CZ 4.4Å; M312-F352 HydrophobicContact CE-CB 3.84Å; M312-F352 HydrophobicContact CE-CD1 3.82Å; M312-F352 HydrophobicContact CE-CD2 3.47Å; M312-F352 VanDerWaalsContact CE-CD2 3.47Å; M312-F352 HydrophobicContact CE-CE1 4.19Å; M312-F352 HydrophobicContact CE-CE2 3.87Å; M312-F352 HydrophobicContact CE-CG 3.43Å; M312-F352 VanDerWaalsContact CE-CG 3.43Å; M312-F352 HydrophobicContact CE-CZ 4.2Å; R326-F352 CarbonylContact C-O 3.54Å; R326-F352 VanDerWaalsContact CA-O 3.27Å; R326-F352 WeakPolarHBondContact CA-O 3.38Å; I327-F352 PolarHBondContact N-O 3Å; I327-F352 PolarHBondContact O-N 2.81Å; I329-F352 HydrophobicContact CD1-CD2 3.78Å; I329-F352 HydrophobicContact CD1-CE2 3.92Å; L350-F352 HydrophobicContact CB-CD2 4.14Å; L350-F352 HydrophobicContact CB-CE2 3.62Å; L350-F352 HydrophobicContact CB-CZ 4.44Å; L350-F352 HydrophobicContact CD1-CE2 3.9Å; L350-F352 HydrophobicContact CD1-CZ 4.32Å; L350-F352 HydrophobicContact CG-CE2 4.4Å; F352-I354 HydrophobicContact CB-CD1 3.79Å; F352-I354 HydrophobicContact CB-CG1 4.25Å
353	D	98.2	Very high	95.3	Very high	39 Å²	39	26.1 Å²	26.1	21%	0.209	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.2	164.4	-71.8	-54.9	0	0	0	108.2	Q259 Y279 N280 R326	Q259-D353 PolarHBondContact NE2-OD1 2.79Å; Y279-D353 CarbonylContact C-O 3.51Å; Y279-D353 VanDerWaalsContact CA-O 3.22Å; Y279-D353 WeakPolarHBondContact CA-O 3.3Å; N280-D353 PolarHBondContact N-O 3.29Å; N280-D353 PolarHBondContact O-N 3.44Å; R326-D353 WeakPolarHBondContact CB-OD1 3.41Å; R326-D353 IonicContact CZ-OD1 3.45Å; R326-D353 IonicContact CZ-OD2 3.87Å; R326-D353 IonicContact NE-OD1 3Å; R326-D353 PolarHBondContact NE-OD1 2.97Å; R326-D353 IonicContact NE-OD2 3.98Å; R326-D353 IonicContact NH2-OD1 3.79Å; R326-D353 PolarHBondContact NH2-OD1 2.54Å; R326-D353 VanDerWaalsContact NH2-OD1 3.13Å; R326-D353 IonicContact NH2-OD2 3.75Å; R326-D353 PolarHBondContact NH2-OD2 3.16Å
354	I	98.1	Very high	95.2	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.015	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.7	-173	-57.2	-56.3	0	0	0	110.5	Y277 H278 Y279 M312 L316 K324 R325 I327 F352 I356	Y277-I354 HydrophobicContact CD2-CD1 3.93Å; Y277-I354 HydrophobicContact CD2-CG2 3.91Å; Y277-I354 HydrophobicContact CE2-CD1 3.89Å; Y277-I354 HydrophobicContact CG-CG2 4.3Å; H278-I354 CarbonylContact O-C 3.54Å; H278-I354 WeakPolarHBondContact O-CA 3.3Å; Y279-I354 VanDerWaalsContact CB-CD1 3.43Å; M312-I354 HydrophobicContact CE-CD1 4.06Å; M312-I354 HydrophobicContact SD-CD1 4.06Å; L316-I354 HydrophobicContact CD2-CG2 4.04Å; K324-I354 WeakPolarHBondContact CA-O 3.46Å; R325-I354 HydrophobicContact CG-CB 4.11Å; R325-I354 PolarHBondContact N-O 3.25Å; R325-I354 WeakPolarHBondContact O-CB 3.3Å; R325-I354 PolarHBondContact O-N 3.48Å; I327-I354 HydrophobicContact CD1-CG1 3.64Å; I327-I354 HydrophobicContact CG1-CG1 4.1Å; F352-I354 HydrophobicContact CB-CD1 3.79Å; F352-I354 HydrophobicContact CB-CG1 4.25Å; I354-I356 HydrophobicContact CG2-CD1 3.41Å; I354-I356 VanDerWaalsContact CG2-CD1 3.41Å; I354-I356 HydrophobicContact CG2-CG1 4.25Å
355	H	97.1	Very high	95.2	Very high	48 Å²	48	25.8 Å²	25.8	22%	0.222	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	114.5	167.1	178.2	-146.6	0	0	0	109.5	Y277 H278 Y293 E323 K324	Y277-H355 CarbonylContact C-O 3.59Å; Y277-H355 WeakPolarHBondContact CA-O 3.36Å; Y277-H355 WeakPolarHBondContact CB-O 3.45Å; H278-H355 HydrophobicContact CB-CB 4.44Å; H278-H355 PolarHBondContact N-O 2.91Å; H278-H355 PolarHBondContact O-N 3.16Å; Y293-H355 PolarHBondContact OH-ND1 2.95Å; E323-H355 WeakPolarHBondContact O-CA 3.4Å; K324-H355 HydrophobicContact CG-CB 4.18Å
356	I	96.6	Very high	95.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.8	-177.6	-54.2	-56.3	0	0	0	109.7	I275 L316 V319 G322 E323 I354 F359	I275-I356 HydrophobicContact CD1-CD1 3.95Å; I275-I356 HydrophobicContact CD1-CG2 4.29Å; I275-I356 HydrophobicContact CG1-CG2 4.48Å; L316-I356 HydrophobicContact CD2-CD1 3.89Å; V319-I356 HydrophobicContact CB-CD1 4.29Å; V319-I356 HydrophobicContact CB-CG1 3.91Å; V319-I356 HydrophobicContact CG1-CD1 3.98Å; V319-I356 HydrophobicContact CG1-CG1 4.02Å; V319-I356 HydrophobicContact CG2-CD1 4.09Å; V319-I356 HydrophobicContact CG2-CG1 3.95Å; V319-I356 HydrophobicContact CG2-CG2 4.04Å; G322-I356 WeakPolarHBondContact CA-O 3.2Å; G322-I356 PolarHBondContact N-O 3.13Å; E323-I356 HydrophobicContact CB-CG1 4.23Å; E323-I356 PolarHBondContact O-N 2.76Å; I354-I356 HydrophobicContact CG2-CD1 3.41Å; I354-I356 VanDerWaalsContact CG2-CD1 3.41Å; I354-I356 HydrophobicContact CG2-CG1 4.25Å; I356-F359 HydrophobicContact CG2-CD1 4.13Å
357	I	94.6	Very high	95.3	Very high	11 Å²	11	27.5 Å²	27.5	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-59.4	177.6	-55.1	-51.3	0	0	0	109.4	R276 T298 I321 D397	R276-I357 WeakPolarHBondContact O-CB 3.41Å; R276-I357 PolarHBondContact O-N 2.66Å; T298-I357 HydrophobicContact CG2-CG1 3.8Å; I321-I357 WeakPolarHBondContact CG2-O 3.4Å; I357-D397 HydrophobicContact CG2-CB 4.26Å
358	D	93.9	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	173.7	172.4	63	13.1	0	0	0	111.6	R276 M396 V461	R276-D358 IonicContact CZ-OD1 2.68Å; R276-D358 IonicContact CZ-OD2 3.16Å; R276-D358 PolarHBondContact N-O 3.3Å; R276-D358 IonicContact NE-OD1 3.74Å; R276-D358 PolarHBondContact NE-OD1 2.95Å; R276-D358 IonicContact NE-OD2 3.61Å; R276-D358 VanDerWaalsContact NH2-CG 3.3Å; R276-D358 IonicContact NH2-OD1 3.81Å; R276-D358 PolarHBondContact NH2-OD1 2.83Å; R276-D358 IonicContact NH2-OD2 3.94Å; R276-D358 PolarHBondContact NH2-OD2 2.95Å; R276-D358 PolarHBondContact O-N 3.31Å; D358-M396 HydrophobicContact CB-CB 3.84Å; D358-M396 HydrophobicContact CB-CG 4.13Å; D358-V461 HydrophobicContact CB-CB 4.49Å; D358-V461 HydrophobicContact CB-CG2 4.29Å; D358-V461 PolarHBondContact OD2-N 3.5Å; D358-V461 VanDerWaalsContact OD2-N 3.14Å
359	F	95.2	Very high	95.5	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154.4	168	54.9	-90.8	0	0	0	110.7	R267 S269 D273 F274 I275 V319 I321 I356	R267-F359 HydrophobicContact CG-CE2 3.9Å; R267-F359 HydrophobicContact CG-CZ 4.39Å; S269-F359 VanDerWaalsContact N-CZ 3.31Å; D273-F359 HydrophobicContact CB-CD2 4.46Å; F274-F359 CarbonylContact O-C 3.57Å; F274-F359 WeakPolarHBondContact O-CA 3.48Å; F274-F359 VanDerWaalsContact O-CB 3.28Å; F274-F359 WeakPolarHBondContact O-CB 3.3Å; I275-F359 HydrophobicContact CB-CB 4.06Å; I275-F359 HydrophobicContact CD1-CB 4.37Å; I275-F359 HydrophobicContact CD1-CD1 4.41Å; I275-F359 HydrophobicContact CG1-CB 4Å; V319-F359 HydrophobicContact CG2-CD1 4.02Å; V319-F359 HydrophobicContact CG2-CE1 3.88Å; V319-F359 WeakPolarHBondContact O-CE1 3.49Å; V319-F359 WeakPolarHBondContact O-CZ 3.48Å; I321-F359 HydrophobicContact CD1-CE1 4.4Å; I321-F359 HydrophobicContact CG1-CD1 3.9Å; I321-F359 HydrophobicContact CG1-CE1 3.48Å; I321-F359 VanDerWaalsContact CG1-CE1 3.48Å; I321-F359 HydrophobicContact CG1-CZ 3.99Å; I356-F359 HydrophobicContact CG2-CD1 4.13Å
360	H	94.1	Very high	95.5	Very high	12 Å²	12	36 Å²	36	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.3	175.7	67.6	-79.3	0	0	0	110.9	D273 F274 D364 P443 V461	D273-H360 CarbonylContact C-O 3.54Å; D273-H360 WeakPolarHBondContact CA-O 3.12Å; F274-H360 AromaticContact CD1-CE1 3.44Å; F274-H360 VanDerWaalsContact CD1-CE1 3.44Å; F274-H360 WeakPolarHBondContact CD1-CE1 3.28Å; F274-H360 AromaticContact CG-CE1 3.83Å; F274-H360 PolarHBondContact N-O 2.95Å; F274-H360 PolarHBondContact O-N 3.38Å; H360-D364 WeakPolarHBondContact CA-OD2 3.16Å; H360-P443 VanDerWaalsContact CD2-CD 3.46Å; H360-P443 WeakPolarHBondContact CD2-CD 3.14Å; H360-P443 VanDerWaalsContact CE1-CG 3.41Å; H360-P443 WeakPolarHBondContact CE1-CG 3.28Å; H360-V461 HydrophobicContact CB-CG2 3.89Å
361	N	93.6	Very high	95.3	Very high	33 Å²	33	40.5 Å²	40.5	18%	0.176	24%	0.237	C	C	.	.			trans	-103.7	143.8	168.4	-157.2	-82.1	0	0	0	109.5	D273 S363 D364	D273-N361 WeakPolarHBondContact OD1-CB 3.47Å; D273-N361 PolarHBondContact OD1-ND2 3.49Å; N361-S363 PolarHBondContact O-N 2.65Å; N361-S363 WeakPolarHBondContact OD1-CB 3.21Å; N361-S363 PolarHBondContact OD1-N 2.85Å; N361-S363 PolarHBondContact OD1-OG 3.1Å; N361-D364 VanDerWaalsContact CB-OD1 3.26Å; N361-D364 WeakPolarHBondContact CB-OD1 3.44Å; N361-D364 VanDerWaalsContact N-CG 3.33Å; N361-D364 PolarHBondContact N-OD2 3.3Å; N361-D364 VanDerWaalsContact O-CB 3.31Å; N361-D364 WeakPolarHBondContact O-CB 3.43Å; N361-D364 PolarHBondContact O-N 2.81Å
362	P	89.1	Confident	95.3	Very high	68 Å²	68	45.3 Å²	45.3	44%	0.442	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-16.5	169.9	-27.2	35.9	0	0	0	114.5	Y302 H444	Y302-P362 HydrophobicContact CE1-CG 4.13Å; P362-H444 PolarHBondContact O-CE1 3.06Å
363	S	91.6	Very high	95.2	Very high	101 Å²	101	50.1 Å²	50.1	71%	0.706	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1	176.5	-43.5	0	0	0	0	113.8	N361	N361-S363 PolarHBondContact O-N 2.65Å; N361-S363 WeakPolarHBondContact OD1-CB 3.21Å; N361-S363 PolarHBondContact OD1-N 2.85Å; N361-S363 PolarHBondContact OD1-OG 3.1Å
364	D	93	Very high	95	Very high	41 Å²	41	49.4 Å²	49.4	22%	0.219	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-66.8	144	180	-73.2	-14.3	0	0	0	111.1	R267 H360 N361 P442 H444	R267-D364 IonicContact CZ-OD1 3.82Å; R267-D364 IonicContact CZ-OD2 2.72Å; R267-D364 IonicContact NH1-OD1 3.95Å; R267-D364 IonicContact NH1-OD2 3.94Å; R267-D364 PolarHBondContact NH1-OD2 2.94Å; R267-D364 IonicContact NH2-OD1 3.25Å; R267-D364 IonicContact NH2-OD2 3.35Å; R267-D364 PolarHBondContact NH2-OD2 3.19Å; H360-D364 WeakPolarHBondContact CA-OD2 3.16Å; N361-D364 VanDerWaalsContact CB-OD1 3.26Å; N361-D364 WeakPolarHBondContact CB-OD1 3.44Å; N361-D364 VanDerWaalsContact N-CG 3.33Å; N361-D364 PolarHBondContact N-OD2 3.3Å; N361-D364 VanDerWaalsContact O-CB 3.31Å; N361-D364 WeakPolarHBondContact O-CB 3.43Å; N361-D364 PolarHBondContact O-N 2.81Å; D364-P442 HydrophobicContact CB-CB 4.09Å; D364-P442 HydrophobicContact CB-CG 4.16Å; D364-H444 PolarHBondContact O-CE1 2.96Å; D364-H444 PolarHBondContact O-NE2 3.39Å
365	T	95.3	Very high	94.7	Very high	97 Å²	97	59 Å²	59	60%	0.595	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-100.7	171.9	171.6	58.3	0	0	0	0	110.4	V367	T365-V367 PolarHBondContact O-N 2.78Å
366	V	95.8	Very high	94.4	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.055	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.9	130.2	169.7	-175.4	0	0	0	0	109.4	I368 E426 L439 V440 I441 L445	V366-I368 HydrophobicContact CB-CG1 4.42Å; V366-I368 HydrophobicContact CG1-CG1 3.82Å; V366-E426 HydrophobicContact CG2-CB 4.32Å; V366-E426 VanDerWaalsContact CG2-OE2 3.31Å; V366-E426 WeakPolarHBondContact CG2-OE2 3.42Å; V366-L439 HydrophobicContact CG1-CB 4.46Å; V366-V440 WeakPolarHBondContact CA-O 3.02Å; V366-I441 HydrophobicContact CG1-CG1 4.02Å; V366-I441 HydrophobicContact CG2-CG1 4.4Å; V366-L445 HydrophobicContact CG2-CB 4.5Å; V366-L445 HydrophobicContact CG2-CD1 3.68Å
367	V	95.3	Very high	94.1	Very high	78 Å²	78	63.5 Å²	63.5	47%	0.473	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.5	169.4	-174.1	0	0	0	0	107.9	T365 L439 V440	T365-V367 PolarHBondContact O-N 2.78Å; V367-L439 WeakPolarHBondContact O-CA 3.02Å; V367-V440 HydrophobicContact CB-CB 3.95Å; V367-V440 HydrophobicContact CB-CG2 4.15Å; V367-V440 HydrophobicContact CG2-CB 4.34Å; V367-V440 PolarHBondContact N-O 2.92Å; V367-V440 PolarHBondContact O-N 3Å
368	I	96.8	Very high	93.9	Very high	63 Å²	63	71.3 Å²	71.3	32%	0.323	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.3	-179.5	-53.9	176.8	0	0	0	108.6	V366 E426 R437 L439	V366-I368 HydrophobicContact CB-CG1 4.42Å; V366-I368 HydrophobicContact CG1-CG1 3.82Å; I368-E426 HydrophobicContact CD1-CG 4.28Å; I368-R437 HydrophobicContact CG2-CG 4.42Å; I368-L439 HydrophobicContact CB-CD2 4.24Å; I368-L439 HydrophobicContact CG1-CD2 3.98Å; I368-L439 HydrophobicContact CG2-CD2 3.88Å
369	T	96.4	Very high	93.8	Very high	66 Å²	66	76 Å²	76	41%	0.405	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.8	174.9	-56.3	0	0	0	0	109.4	N371 R437 H438	T369-N371 PolarHBondContact O-N 3.03Å; T369-R437 CarbonylContact O-C 3.59Å; T369-R437 VanDerWaalsContact O-CA 3.29Å; T369-R437 WeakPolarHBondContact O-CA 3.35Å; T369-H438 PolarHBondContact N-O 3.49Å; T369-H438 PolarHBondContact O-N 3.04Å
370	T	96.6	Very high	93.8	Very high	66 Å²	66	79.4 Å²	79.4	41%	0.405	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	108.8	174.5	-59.1	0	0	0	0	109.7	K373 E435	T370-K373 HydrophobicContact CG2-CB 3.99Å; T370-E435 HydrophobicContact CG2-CG 3.99Å; T370-E435 WeakPolarHBondContact CG2-OE1 3.31Å; T370-E435 PolarHBondContact OG1-OE1 3.16Å
371	N	94.7	Very high	93.9	Very high	95 Å²	95	79 Å²	79	51%	0.508	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-32.9	179.3	-68.9	-16.8	0	0	0	111.8	T369 R436	T369-N371 PolarHBondContact O-N 3.03Å; N371-R436 PolarHBondContact N-O 2.57Å
372	Y	96.9	Very high	93.9	Very high	108 Å²	108	83.5 Å²	83.5	42%	0.424	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	133.4	179.4	171.7	-101.7	0	0	0	109.9	P374 G434 E435 R436	Y372-P374 HydrophobicContact CE1-CG 3.99Å; Y372-G434 VanDerWaalsContact CD1-O 3.26Å; Y372-G434 WeakPolarHBondContact CD1-O 3.38Å; Y372-G434 VanDerWaalsContact CE1-O 3.3Å; Y372-G434 WeakPolarHBondContact CE1-O 3.31Å; Y372-E435 WeakPolarHBondContact O-CA 3.44Å; Y372-E435 VanDerWaalsContact O-CG 3.27Å; Y372-E435 WeakPolarHBondContact O-CG 3.45Å; Y372-R436 PolarHBondContact N-O 2.74Å; Y372-R436 PolarHBondContact O-N 2.84Å
373	K	95.6	Very high	94	Very high	113 Å²	113	86.6 Å²	86.6	49%	0.491	46%	0.455	S	S	.	.			trans	-126.7	124.1	175	-165.4	165.7	-172.2	165.8	0	109.2	T370 C377 E435	T370-K373 HydrophobicContact CG2-CB 3.99Å; K373-C377 WeakPolarHBondContact CE-SG 3.03Å; K373-E435 HydrophobicContact CG-CG 4.43Å
374	P	94.3	Very high	94	Very high	23 Å²	23	82.7 Å²	82.7	15%	0.149	43%	0.431	C	S	.	.			trans	-58.8	152.3	175.3	-24.1	32.8	0	0	0	112.2	Y372 V376 V433 G434	Y372-P374 HydrophobicContact CE1-CG 3.99Å; P374-V376 VanDerWaalsContact C-N 3.28Å; P374-V376 PolarHBondContact O-N 3.29Å; P374-V433 WeakPolarHBondContact CG-O 3.31Å; P374-G434 VanDerWaalsContact CG-C 3.43Å
375	E	91.7	Very high	94	Very high	205 Å²	205	80.8 Å²	80.8	96%	0.958	42%	0.421	S	S	*	.	S	Bend	trans	-61.8	-37	176.8	-66.7	-174.6	172.8	0	0	112.2
376	V	91.6	Very high	94	Very high	113 Å²	113	77.4 Å²	77.4	69%	0.685	40%	0.398	S	S	*	.			trans	-100.5	109.6	175.4	-177	0	0	0	0	108.5	P374	P374-V376 VanDerWaalsContact C-N 3.28Å; P374-V376 PolarHBondContact O-N 3.29Å
377	C	90.8	Very high	94.1	Very high	30 Å²	30	77 Å²	77	20%	0.203	40%	0.395	C	S	.	.			trans	-147.5	60	-175	-175.1	0	0	0	0	110	K373 C432	K373-C377 WeakPolarHBondContact CE-SG 3.03Å; C377-C432 HydrophobicContact CB-CB 3.99Å; C377-C432 WeakPolarHBondContact CB-SG 3.29Å; C377-C432 WeakPolarHBondContact SG-CB 3.33Å; C377-C432 CovalentContact SG-SG 2.02Å; C377-C432 PolarHBondContact SG-SG 2.94Å
378	E	89.9	Confident	94.1	Very high	175 Å²	175	75.7 Å²	75.7	82%	0.818	38%	0.383	S	S	*	.			trans	-88.8	-37.5	-176.3	-62	-176	173.7	0	0	112.1
379	T	91.8	Very high	94.2	Very high	98 Å²	98	72.8 Å²	72.8	60%	0.601	37%	0.368	S	S	*	.			trans	-92.2	118.8	178.3	-43.3	0	0	0	0	109.6	C432 M471	T379-C432 VanDerWaalsContact O-CB 3.31Å; T379-C432 WeakPolarHBondContact O-CB 3.47Å; T379-M471 HydrophobicContact CG2-CE 3.42Å; T379-M471 VanDerWaalsContact CG2-CE 3.42Å; T379-M471 WeakPolarHBondContact O-CE 3.33Å
380	L	95.6	Very high	94.3	Very high	73 Å²	73	71.1 Å²	71.1	38%	0.382	36%	0.356	S	S	.	.			trans	-108.3	138.1	179.8	-58	-178.1	0	0	0	110.1	K382 E430 C432	L380-K382 PolarHBondContact O-N 2.94Å; L380-E430 HydrophobicContact CD1-CB 4.47Å; L380-C432 HydrophobicContact CD2-CB 4.27Å
381	A	95.4	Very high	94.3	Very high	3 Å²	3	69.3 Å²	69.3	3%	0.025	34%	0.341	C	S	.	.			trans	-61	127.9	177.3	0	0	0	0	0	111.4	V387 L415 E430 M431 M468 M471	A381-V387 HydrophobicContact CB-CG1 4.24Å; A381-L415 HydrophobicContact CB-CD2 4.06Å; A381-E430 PolarHBondContact O-N 3.07Å; A381-M431 WeakPolarHBondContact CB-O 3.37Å; A381-M431 PolarHBondContact N-O 2.02Å; A381-M468 HydrophobicContact CB-CE 4.44Å; A381-M471 WeakPolarHBondContact CA-SD 3.48Å; A381-M471 HydrophobicContact CB-SD 3.66Å
382	K	94	Very high	94.5	Very high	128 Å²	128	67.5 Å²	67.5	56%	0.557	33%	0.332	S	S	*	.			trans	-127.3	167.1	176.9	57.4	174.4	-179.4	-175.7	0	110.8	L380 G384 D385	L380-K382 PolarHBondContact O-N 2.94Å; K382-G384 PolarHBondContact O-N 3.49Å; K382-D385 WeakPolarHBondContact CG-OD2 3.3Å; K382-D385 PolarHBondContact N-OD2 3.33Å; K382-D385 VanDerWaalsContact O-CB 3.32Å; K382-D385 WeakPolarHBondContact O-CB 3.24Å; K382-D385 PolarHBondContact O-N 3.03Å; K382-D385 VanDerWaalsContact O-N 3.08Å
383	K	92	Very high	94.5	Very high	134 Å²	134	62.5 Å²	62.5	58%	0.583	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	133.7	175.4	-176.2	-176.4	175.8	-157.3	0	110.2	L415 D477	K383-L415 CarbonylContact C-O 3.56Å; K383-L415 WeakPolarHBondContact CA-O 3.42Å; K383-D477 IonicContact NZ-OD2 3.13Å
384	G	89.9	Confident	94.5	Very high	18 Å²	18	58 Å²	58	19%	0.186	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-17.9	-178	0	0	0	0	0	114.5	K382 L415 G474	K382-G384 PolarHBondContact O-N 3.49Å; G384-L415 PolarHBondContact N-O 3.34Å; G384-G474 VanDerWaalsContact C-CA 3.49Å; G384-G474 WeakPolarHBondContact O-CA 3.41Å
385	D	94.4	Very high	94.5	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.011	29%	0.293	C	S	.	.			trans	-67.1	140.5	177.8	-65.5	-15	0	0	0	111.1	K382 V387 V414 L415 M471 E472 A473 G474	K382-D385 WeakPolarHBondContact CG-OD2 3.3Å; K382-D385 PolarHBondContact N-OD2 3.33Å; K382-D385 VanDerWaalsContact O-CB 3.32Å; K382-D385 WeakPolarHBondContact O-CB 3.24Å; K382-D385 PolarHBondContact O-N 3.03Å; K382-D385 VanDerWaalsContact O-N 3.08Å; D385-V387 HydrophobicContact CB-CG1 4.36Å; D385-V414 WeakPolarHBondContact O-CA 3.42Å; D385-L415 PolarHBondContact O-N 2.98Å; D385-M471 HydrophobicContact CB-CG 4.34Å; D385-E472 WeakPolarHBondContact CA-O 3.23Å; D385-A473 WeakPolarHBondContact OD1-CA 3.3Å; D385-G474 PolarHBondContact OD1-N 3.28Å
386	F	95	Very high	94.3	Very high	26 Å²	26	50.8 Å²	50.8	11%	0.114	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114.2	171.7	-179.8	-121.5	0	0	0	109	K388 N412 I413 V414 M471 E472 P525	F386-K388 HydrophobicContact CE1-CG 4.36Å; F386-N412 HydrophobicContact CE2-CB 3.83Å; F386-N412 HydrophobicContact CZ-CB 3.72Å; F386-I413 WeakPolarHBondContact CA-O 3.22Å; F386-I413 WeakPolarHBondContact CD2-O 3.45Å; F386-V414 HydrophobicContact CD2-CG2 3.9Å; F386-M471 WeakPolarHBondContact O-CA 3.17Å; F386-E472 HydrophobicContact CB-CB 4.39Å; F386-E472 PolarHBondContact N-O 2.87Å; F386-E472 PolarHBondContact O-N 2.92Å; F386-P525 HydrophobicContact CB-CB 3.6Å; F386-P525 HydrophobicContact CB-CG 3.65Å; F386-P525 HydrophobicContact CD1-CB 4.14Å; F386-P525 HydrophobicContact CG-CB 4.08Å
387	V	96.6	Very high	94	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.7	-175.1	-60.2	0	0	0	0	110.7	A381 D385 Y389 N412 I413 L428 M468 M471	A381-V387 HydrophobicContact CB-CG1 4.24Å; D385-V387 HydrophobicContact CB-CG1 4.36Å; V387-Y389 HydrophobicContact CG2-CD1 4.37Å; V387-N412 WeakPolarHBondContact O-CA 3.41Å; V387-I413 HydrophobicContact CG2-CD1 3.75Å; V387-I413 HydrophobicContact CG2-CG1 3.66Å; V387-I413 PolarHBondContact N-O 3.25Å; V387-I413 PolarHBondContact O-N 2.91Å; V387-L428 HydrophobicContact CG2-CD1 4.47Å; V387-M468 HydrophobicContact CB-CE 3.99Å; V387-M468 HydrophobicContact CB-SD 3.78Å; V387-M468 HydrophobicContact CG1-CE 3.99Å; V387-M468 HydrophobicContact CG1-SD 4.13Å; V387-M468 HydrophobicContact CG2-CE 4.49Å; V387-M471 HydrophobicContact CG1-CB 4.47Å; V387-M471 HydrophobicContact CG1-CG 4.1Å
388	K	97.3	Very high	93.9	Very high	50 Å²	50	50.3 Å²	50.3	22%	0.217	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125	170.7	-52.2	-173.4	-166.9	154.2	0	108.3	F386 T410 Y411 N412 I469 E470	F386-K388 HydrophobicContact CE1-CG 4.36Å; K388-T410 HydrophobicContact CB-CG2 4.32Å; K388-Y411 WeakPolarHBondContact CA-O 3.32Å; K388-N412 WeakPolarHBondContact CB-OD1 3.44Å; K388-N412 HydrophobicContact CG-CB 4.37Å; K388-N412 WeakPolarHBondContact CG-OD1 3.14Å; K388-I469 WeakPolarHBondContact O-CA 3.49Å; K388-I469 WeakPolarHBondContact O-CB 3.5Å; K388-I469 PolarHBondContact O-N 3.23Å; K388-E470 HydrophobicContact CB-CB 4.05Å; K388-E470 HydrophobicContact CD-CB 4.19Å; K388-E470 WeakPolarHBondContact CD-OE2 3.37Å; K388-E470 WeakPolarHBondContact CE-OE2 3.38Å; K388-E470 HydrophobicContact CG-CB 4.26Å; K388-E470 PolarHBondContact N-O 3.49Å; K388-E470 IonicContact NZ-OE1 2.83Å; K388-E470 IonicContact NZ-OE2 3.66Å; K388-E470 PolarHBondContact NZ-OE2 3.19Å; K388-E470 PolarHBondContact O-N 2.83Å
389	Y	97.6	Very high	94	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.3	-176.8	67.4	-78.3	0	0	0	111.3	V387 Y391 Y411 I413 M424 L428 I466 E467	V387-Y389 HydrophobicContact CG2-CD1 4.37Å; Y389-Y391 HydrophobicContact CD2-CD1 4.41Å; Y389-Y391 AromaticContact CE2-CD1 3.74Å; Y389-Y391 HydrophobicContact CE2-CD1 3.74Å; Y389-Y391 HydrophobicContact CE2-CG 4.35Å; Y389-Y411 WeakPolarHBondContact CD1-O 3.28Å; Y389-Y411 AromaticContact CE1-CD1 3.92Å; Y389-Y411 HydrophobicContact CE1-CD1 3.92Å; Y389-Y411 AromaticContact CZ-CD1 3.83Å; Y389-Y411 PolarHBondContact N-O 3.04Å; Y389-Y411 PolarHBondContact O-N 3.14Å; Y389-Y411 WeakPolarHBondContact OH-CD1 3.42Å; Y389-I413 HydrophobicContact CE1-CG1 3.93Å; Y389-M424 HydrophobicContact CE2-CE 4.09Å; Y389-M424 HydrophobicContact CE2-SD 4.05Å; Y389-L428 HydrophobicContact CD1-CD1 4.11Å; Y389-L428 HydrophobicContact CD1-CD2 3.98Å; Y389-L428 HydrophobicContact CD2-CD2 4.06Å; Y389-L428 HydrophobicContact CE1-CD1 3.71Å; Y389-L428 HydrophobicContact CE1-CD2 4.35Å; Y389-L428 HydrophobicContact CE2-CD1 4.41Å; Y389-L428 HydrophobicContact CE2-CD2 4.41Å; Y389-L428 HydrophobicContact CG-CD2 3.83Å; Y389-I466 HydrophobicContact CD2-CB 4.42Å; Y389-I466 HydrophobicContact CD2-CG2 4.3Å; Y389-I466 HydrophobicContact CE2-CG2 4.39Å; Y389-E467 CarbonylContact C-O 3.52Å; Y389-E467 WeakPolarHBondContact CA-O 3.4Å; Y389-E467 WeakPolarHBondContact CB-O 3.46Å
390	H	98.3	Very high	94.1	Very high	30 Å²	30	45.5 Å²	45.5	14%	0.139	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	145.7	164.4	-81.6	-57.7	0	0	0	109.6	T404 Y405 I466 E467	H390-T404 VanDerWaalsContact CA-OG1 3.29Å; H390-T404 WeakPolarHBondContact CA-OG1 3.16Å; H390-T404 WeakPolarHBondContact ND1-CB 3.41Å; H390-T404 PolarHBondContact ND1-OG1 3.28Å; H390-Y405 HydrophobicContact CB-CE1 4.2Å; H390-Y405 HydrophobicContact CB-CE2 3.84Å; H390-Y405 WeakPolarHBondContact CB-OH 3.15Å; H390-Y405 AromaticContact CD2-CE1 3.74Å; H390-Y405 AromaticContact CD2-CZ 3.98Å; H390-Y405 AromaticContact CG-CE1 3.74Å; H390-Y405 AromaticContact CG-CZ 3.66Å; H390-I466 CarbonylContact O-C 3.6Å; H390-I466 VanDerWaalsContact O-CA 3.28Å; H390-I466 WeakPolarHBondContact O-CA 3.42Å; H390-E467 HydrophobicContact CB-CB 4.42Å; H390-E467 PolarHBondContact N-O 3Å; H390-E467 PolarHBondContact O-N 2.86Å
391	Y	97.6	Very high	94	Very high	28 Å²	28	43.8 Å²	43.8	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	153.4	168.7	74	-100.4	0	0	0	111.7	Y389 A393 D402 S403 T404 Y411 F464 D465	Y389-Y391 HydrophobicContact CD2-CD1 4.41Å; Y389-Y391 AromaticContact CE2-CD1 3.74Å; Y389-Y391 HydrophobicContact CE2-CD1 3.74Å; Y389-Y391 HydrophobicContact CE2-CG 4.35Å; Y391-A393 HydrophobicContact CD2-CB 3.97Å; Y391-A393 HydrophobicContact CE2-CB 3.95Å; Y391-D402 HydrophobicContact CE2-CB 4.36Å; Y391-D402 PolarHBondContact OH-OD2 3.06Å; Y391-D402 VanDerWaalsContact OH-OD2 3.06Å; Y391-S403 WeakPolarHBondContact O-CA 3.41Å; Y391-S403 PolarHBondContact O-OG 3.14Å; Y391-T404 HydrophobicContact CD1-CG2 3.3Å; Y391-T404 HydrophobicContact CE1-CG2 3.31Å; Y391-T404 HydrophobicContact CG-CG2 4Å; Y391-T404 PolarHBondContact N-OG1 2.85Å; Y391-T404 PolarHBondContact O-N 2.79Å; Y391-T404 PolarHBondContact O-OG1 2.91Å; Y391-T404 VanDerWaalsContact O-OG1 3.08Å; Y391-Y411 HydrophobicContact CE1-CD2 4.1Å; Y391-Y411 HydrophobicContact CE1-CG 4.07Å; Y391-F464 AromaticContact CD2-CD1 3.85Å; Y391-F464 HydrophobicContact CD2-CD1 3.85Å; Y391-F464 AromaticContact CD2-CE1 3.88Å; Y391-F464 HydrophobicContact CD2-CE1 3.88Å; Y391-F464 HydrophobicContact CE2-CE1 4.15Å; Y391-F464 HydrophobicContact CG-CD1 4.2Å; Y391-F464 HydrophobicContact CG-CE1 4.42Å; Y391-D465 CarbonylContact C-O 3.57Å; Y391-D465 VanDerWaalsContact CA-O 3.23Å; Y391-D465 WeakPolarHBondContact CA-O 3.38Å
392	N	97.4	Very high	94	Very high	57 Å²	57	45.3 Å²	45.3	31%	0.305	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.4	161.8	-173.3	29	0	0	0	108.5	F400 F464 D465	N392-F400 WeakPolarHBondContact OD1-CE2 3.26Å; N392-F464 WeakPolarHBondContact O-CA 3.49Å; N392-D465 HydrophobicContact CB-CB 4.47Å; N392-D465 PolarHBondContact N-O 3.03Å; N392-D465 PolarHBondContact O-N 2.78Å
393	A	97.1	Very high	94.1	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.1	-174.9	0	0	0	0	0	110.7	Y391 I401 D402 I463 F464	Y391-A393 HydrophobicContact CD2-CB 3.97Å; Y391-A393 HydrophobicContact CE2-CB 3.95Å; A393-I401 HydrophobicContact CB-CB 4.06Å; A393-I401 HydrophobicContact CB-CG2 4.48Å; A393-I401 PolarHBondContact O-N 3.02Å; A393-D402 WeakPolarHBondContact CA-O 3.22Å; A393-D402 WeakPolarHBondContact CB-O 3.28Å; A393-D402 PolarHBondContact N-O 2.9Å; A393-D402 PolarHBondContact O-N 3.06Å; A393-I463 CarbonylContact C-O 3.29Å; A393-I463 WeakPolarHBondContact CA-O 3.31Å; A393-F464 HydrophobicContact CB-CD1 3.7Å; A393-F464 HydrophobicContact CB-CE1 3.41Å; A393-F464 VanDerWaalsContact CB-CE1 3.41Å; A393-F464 HydrophobicContact CB-CZ 4.02Å
394	S	96.5	Very high	94.4	Very high	20 Å²	20	33.3 Å²	33.3	14%	0.14	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164.3	175.7	55.7	0	0	0	0	111.4	S399 I401 I463	S394-S399 CarbonylContact C-O 3.52Å; S394-S399 WeakPolarHBondContact CA-O 3.23Å; S394-S399 VanDerWaalsContact CB-O 3.26Å; S394-S399 WeakPolarHBondContact CB-O 3.38Å; S394-I401 VanDerWaalsContact C-CD1 3.46Å; S394-I463 PolarHBondContact N-O 3.48Å; S394-I463 WeakPolarHBondContact O-CA 3.41Å; S394-I463 WeakPolarHBondContact O-CB 3.49Å; S394-I463 PolarHBondContact O-N 3.08Å
395	L	93.3	Very high	94.5	Very high	18 Å²	18	38.3 Å²	38.3	9%	0.094	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	164.3	166.2	-61.5	178.5	0	0	0	109.9	D397 G398 S399 I401 P457 A460 L462	L395-D397 WeakPolarHBondContact CB-OD1 3.45Å; L395-D397 PolarHBondContact O-N 2.9Å; L395-D397 VanDerWaalsContact O-N 3.15Å; L395-G398 WeakPolarHBondContact O-CA 3.16Å; L395-G398 PolarHBondContact O-N 3.34Å; L395-S399 PolarHBondContact N-O 3.17Å; L395-I401 HydrophobicContact CD2-CD1 3.72Å; L395-I401 HydrophobicContact CD2-CG1 4.31Å; L395-I401 HydrophobicContact CG-CD1 3.99Å; L395-I401 HydrophobicContact CG-CG1 4.1Å; L395-P457 HydrophobicContact CD1-CG 4.05Å; L395-A460 HydrophobicContact CD2-CB 3.8Å; L395-L462 HydrophobicContact CD2-CD2 4.26Å
396	M	89.1	Confident	94.5	Very high	57 Å²	57	43.3 Å²	43.3	28%	0.281	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.1	-180	-157.5	79.1	-152.2	0	0	114.1	I321 D358 G398 V440 V461 I463	I321-M396 HydrophobicContact CD1-CE 3.85Å; I321-M396 HydrophobicContact CD1-CG 3.93Å; I321-M396 HydrophobicContact CD1-SD 4.2Å; I321-M396 HydrophobicContact CG2-CB 4.43Å; I321-M396 HydrophobicContact CG2-CG 3.49Å; I321-M396 VanDerWaalsContact CG2-CG 3.49Å; D358-M396 HydrophobicContact CB-CB 3.84Å; D358-M396 HydrophobicContact CB-CG 4.13Å; M396-G398 PolarHBondContact O-N 3.11Å; M396-V440 HydrophobicContact SD-CG1 4.1Å; M396-V461 HydrophobicContact SD-CG1 4.03Å; M396-I463 HydrophobicContact CE-CD1 4.13Å; M396-I463 HydrophobicContact SD-CD1 3.54Å; M396-I463 VanDerWaalsContact SD-CD1 3.54Å; M396-I463 HydrophobicContact SD-CG1 3.99Å
397	D	84.7	Confident	94.3	Very high	78 Å²	78	48.6 Å²	48.6	42%	0.417	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	2.1	175.6	69.5	-2.4	0	0	0	113.6	I357 L395 S399	I357-D397 HydrophobicContact CG2-CB 4.26Å; L395-D397 WeakPolarHBondContact CB-OD1 3.45Å; L395-D397 PolarHBondContact O-N 2.9Å; L395-D397 VanDerWaalsContact O-N 3.15Å; D397-S399 VanDerWaalsContact CG-OG 3.28Å; D397-S399 WeakPolarHBondContact OD1-CB 3.34Å; D397-S399 PolarHBondContact OD1-N 2.75Å; D397-S399 PolarHBondContact OD1-OG 3Å; D397-S399 PolarHBondContact OD2-OG 3.1Å
398	G	88.8	Confident	94.1	Very high	56 Å²	56	52.1 Å²	52.1	58%	0.577	29%	0.285	S	S	*	.			trans	87.8	0.9	-178.6	0	0	0	0	0	114.4	L395 M396 F400	L395-G398 WeakPolarHBondContact O-CA 3.16Å; L395-G398 PolarHBondContact O-N 3.34Å; M396-G398 PolarHBondContact O-N 3.11Å; G398-F400 PolarHBondContact O-N 3.39Å
399	S	90.7	Very high	93.9	Very high	52 Å²	52	56.6 Å²	56.6	36%	0.364	31%	0.305	S	S	.	.			trans	-60.5	125.2	175	-59.6	0	0	0	0	110.4	S394 L395 D397	S394-S399 CarbonylContact C-O 3.52Å; S394-S399 WeakPolarHBondContact CA-O 3.23Å; S394-S399 VanDerWaalsContact CB-O 3.26Å; S394-S399 WeakPolarHBondContact CB-O 3.38Å; L395-S399 PolarHBondContact N-O 3.17Å; D397-S399 VanDerWaalsContact CG-OG 3.28Å; D397-S399 WeakPolarHBondContact OD1-CB 3.34Å; D397-S399 PolarHBondContact OD1-N 2.75Å; D397-S399 PolarHBondContact OD1-OG 3Å; D397-S399 PolarHBondContact OD2-OG 3.1Å
400	F	94.3	Very high	93.8	Very high	120 Å²	120	58.1 Å²	58.1	53%	0.526	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.4	179.1	177.3	-96.3	0	0	0	111.2	N392 G398 D402 N406	N392-F400 WeakPolarHBondContact OD1-CE2 3.26Å; G398-F400 PolarHBondContact O-N 3.39Å; F400-D402 VanDerWaalsContact CZ-CA 3.41Å; F400-N406 VanDerWaalsContact CZ-ND2 3.33Å; F400-N406 WeakPolarHBondContact CZ-ND2 3.15Å
401	I	95	Very high	93.7	Very high	37 Å²	37	61.2 Å²	61.2	19%	0.19	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-68.1	174.5	-59.5	169.2	0	0	0	109.2	A393 S394 L395 V456 L462	A393-I401 HydrophobicContact CB-CB 4.06Å; A393-I401 HydrophobicContact CB-CG2 4.48Å; A393-I401 PolarHBondContact O-N 3.02Å; S394-I401 VanDerWaalsContact C-CD1 3.46Å; L395-I401 HydrophobicContact CD2-CD1 3.72Å; L395-I401 HydrophobicContact CD2-CG1 4.31Å; L395-I401 HydrophobicContact CG-CD1 3.99Å; L395-I401 HydrophobicContact CG-CG1 4.1Å; I401-V456 HydrophobicContact CD1-CG2 4.43Å; I401-V456 HydrophobicContact CG2-CG2 4.16Å; I401-L462 HydrophobicContact CD1-CD2 3.95Å
402	D	94.5	Very high	93.6	Very high	34 Å²	34	63.3 Å²	63.3	18%	0.182	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	162.6	-177	-167.6	18.3	0	0	0	111.6	Y391 A393 F400 Y407	Y391-D402 HydrophobicContact CE2-CB 4.36Å; Y391-D402 PolarHBondContact OH-OD2 3.06Å; Y391-D402 VanDerWaalsContact OH-OD2 3.06Å; A393-D402 WeakPolarHBondContact CA-O 3.22Å; A393-D402 WeakPolarHBondContact CB-O 3.28Å; A393-D402 PolarHBondContact N-O 2.9Å; A393-D402 PolarHBondContact O-N 3.06Å; F400-D402 VanDerWaalsContact CZ-CA 3.41Å; D402-Y407 WeakPolarHBondContact OD1-CE2 3.45Å; D402-Y407 PolarHBondContact OD1-OH 2.68Å; D402-Y407 VanDerWaalsContact OD1-OH 3.06Å; D402-Y407 WeakPolarHBondContact OD2-CE2 3.41Å; D402-Y407 PolarHBondContact OD2-OH 3.06Å
403	S	96.6	Very high	93.5	Very high	7 Å²	7	60.7 Å²	60.7	5%	0.049	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	131.4	176.3	176.1	0	0	0	0	111.8	Y391 Y405 N406	Y391-S403 WeakPolarHBondContact O-CA 3.41Å; Y391-S403 PolarHBondContact O-OG 3.14Å; S403-Y405 PolarHBondContact O-N 2.94Å; S403-Y405 VanDerWaalsContact O-N 3.12Å; S403-Y405 WeakPolarHBondContact OG-CD2 3.48Å; S403-Y405 PolarHBondContact OG-N 2.96Å; S403-N406 VanDerWaalsContact O-CB 3.3Å; S403-N406 WeakPolarHBondContact O-CB 3.49Å; S403-N406 PolarHBondContact O-N 2.8Å
404	T	97.1	Very high	93.3	Very high	3 Å²	3	61 Å²	61	2%	0.018	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-55.8	-29.5	174	50.7	0	0	0	0	113.8	H390 Y391 N406 Y407 G408	H390-T404 VanDerWaalsContact CA-OG1 3.29Å; H390-T404 WeakPolarHBondContact CA-OG1 3.16Å; H390-T404 WeakPolarHBondContact ND1-CB 3.41Å; H390-T404 PolarHBondContact ND1-OG1 3.28Å; Y391-T404 HydrophobicContact CD1-CG2 3.3Å; Y391-T404 HydrophobicContact CE1-CG2 3.31Å; Y391-T404 HydrophobicContact CG-CG2 4Å; Y391-T404 PolarHBondContact N-OG1 2.85Å; Y391-T404 PolarHBondContact O-N 2.79Å; Y391-T404 PolarHBondContact O-OG1 2.91Å; Y391-T404 VanDerWaalsContact O-OG1 3.08Å; T404-N406 PolarHBondContact O-N 2.87Å; T404-Y407 PolarHBondContact O-N 2.91Å; T404-Y407 VanDerWaalsContact O-N 3.09Å; T404-G408 PolarHBondContact O-N 3.45Å
405	Y	93.7	Very high	93.2	Very high	124 Å²	124	60.4 Å²	60.4	49%	0.486	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-64.5	-26.6	178.2	-64.3	-77.7	0	0	0	112.4	H390 S403 Y407 G408 E467	H390-Y405 HydrophobicContact CB-CE1 4.2Å; H390-Y405 HydrophobicContact CB-CE2 3.84Å; H390-Y405 WeakPolarHBondContact CB-OH 3.15Å; H390-Y405 AromaticContact CD2-CE1 3.74Å; H390-Y405 AromaticContact CD2-CZ 3.98Å; H390-Y405 AromaticContact CG-CE1 3.74Å; H390-Y405 AromaticContact CG-CZ 3.66Å; S403-Y405 PolarHBondContact O-N 2.94Å; S403-Y405 VanDerWaalsContact O-N 3.12Å; S403-Y405 WeakPolarHBondContact OG-CD2 3.48Å; S403-Y405 PolarHBondContact OG-N 2.96Å; Y405-Y407 PolarHBondContact O-N 2.71Å; Y405-G408 PolarHBondContact O-N 2.89Å; Y405-E467 PolarHBondContact OH-OE2 2.95Å
406	N	93	Very high	93.1	Very high	107 Å²	107	60.8 Å²	60.8	57%	0.572	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-66.6	-24.2	175.8	-66.3	-22	0	0	0	112.7	F400 S403 T404	F400-N406 VanDerWaalsContact CZ-ND2 3.33Å; F400-N406 WeakPolarHBondContact CZ-ND2 3.15Å; S403-N406 VanDerWaalsContact O-CB 3.3Å; S403-N406 WeakPolarHBondContact O-CB 3.49Å; S403-N406 PolarHBondContact O-N 2.8Å; T404-N406 PolarHBondContact O-N 2.87Å
407	Y	92.1	Very high	93.2	Very high	137 Å²	137	60 Å²	60	54%	0.537	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-98.2	-6.9	-179.8	-52	-64.8	0	0	0	113.3	D402 T404 Y405 K409	D402-Y407 WeakPolarHBondContact OD1-CE2 3.45Å; D402-Y407 PolarHBondContact OD1-OH 2.68Å; D402-Y407 VanDerWaalsContact OD1-OH 3.06Å; D402-Y407 WeakPolarHBondContact OD2-CE2 3.41Å; D402-Y407 PolarHBondContact OD2-OH 3.06Å; T404-Y407 PolarHBondContact O-N 2.91Å; T404-Y407 VanDerWaalsContact O-N 3.09Å; Y405-Y407 PolarHBondContact O-N 2.71Å; Y407-K409 PolarHBondContact O-N 2.95Å
408	G	91.1	Very high	93.5	Very high	73 Å²	73	62.7 Å²	62.7	75%	0.753	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	20.4	-177.4	0	0	0	0	0	114.3	T404 Y405	T404-G408 PolarHBondContact O-N 3.45Å; Y405-G408 PolarHBondContact O-N 2.89Å
409	K	94.3	Very high	93.6	Very high	145 Å²	145	64 Å²	64	63%	0.63	34%	0.338	S	S	*	.	S	Bend	trans	-140.7	155.4	179.6	64.4	178.8	-178.5	176.6	0	110.9	Y407	Y407-K409 PolarHBondContact O-N 2.95Å
410	T	95.3	Very high	93.8	Very high	34 Å²	34	62.8 Å²	62.8	21%	0.209	33%	0.328	C	S	.	.			trans	-72.7	157	172.8	51.9	0	0	0	0	111.2	K388 N412 I469	K388-T410 HydrophobicContact CB-CG2 4.32Å; T410-N412 WeakPolarHBondContact CB-OD1 3.49Å; T410-N412 PolarHBondContact O-OD1 3.13Å; T410-N412 PolarHBondContact OG1-OD1 3.16Å; T410-I469 HydrophobicContact CG2-CB 4.13Å; T410-I469 HydrophobicContact CG2-CG1 4.01Å; T410-I469 HydrophobicContact CG2-CG2 4.24Å
411	Y	96.4	Very high	93.9	Very high	96 Å²	96	58.1 Å²	58.1	38%	0.376	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133	162.6	-154.8	-98.6	0	0	0	108.6	K388 Y389 Y391 I413 V420	K388-Y411 WeakPolarHBondContact CA-O 3.32Å; Y389-Y411 WeakPolarHBondContact CD1-O 3.28Å; Y389-Y411 AromaticContact CE1-CD1 3.92Å; Y389-Y411 HydrophobicContact CE1-CD1 3.92Å; Y389-Y411 AromaticContact CZ-CD1 3.83Å; Y389-Y411 PolarHBondContact N-O 3.04Å; Y389-Y411 PolarHBondContact O-N 3.14Å; Y389-Y411 WeakPolarHBondContact OH-CD1 3.42Å; Y391-Y411 HydrophobicContact CE1-CD2 4.1Å; Y391-Y411 HydrophobicContact CE1-CG 4.07Å; Y411-I413 HydrophobicContact CD1-CG2 3.7Å; Y411-I413 HydrophobicContact CE1-CG2 3.48Å; Y411-I413 VanDerWaalsContact CE1-CG2 3.48Å; Y411-V420 HydrophobicContact CD1-CG1 4.27Å; Y411-V420 HydrophobicContact CE1-CG1 3.62Å
412	N	95.3	Very high	94	Very high	71 Å²	71	59.8 Å²	59.8	38%	0.38	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.1	-169.4	-55.9	-15	0	0	0	109.1	F386 V387 K388 T410	F386-N412 HydrophobicContact CE2-CB 3.83Å; F386-N412 HydrophobicContact CZ-CB 3.72Å; V387-N412 WeakPolarHBondContact O-CA 3.41Å; K388-N412 WeakPolarHBondContact CB-OD1 3.44Å; K388-N412 HydrophobicContact CG-CB 4.37Å; K388-N412 WeakPolarHBondContact CG-OD1 3.14Å; T410-N412 WeakPolarHBondContact CB-OD1 3.49Å; T410-N412 PolarHBondContact O-OD1 3.13Å; T410-N412 PolarHBondContact OG1-OD1 3.16Å
413	I	95.1	Very high	94.1	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.4	-178.7	61	112.9	0	0	0	111.5	F386 V387 Y389 Y411 L415 Q419 V420 L428	F386-I413 WeakPolarHBondContact CA-O 3.22Å; F386-I413 WeakPolarHBondContact CD2-O 3.45Å; V387-I413 HydrophobicContact CG2-CD1 3.75Å; V387-I413 HydrophobicContact CG2-CG1 3.66Å; V387-I413 PolarHBondContact N-O 3.25Å; V387-I413 PolarHBondContact O-N 2.91Å; Y389-I413 HydrophobicContact CE1-CG1 3.93Å; Y411-I413 HydrophobicContact CD1-CG2 3.7Å; Y411-I413 HydrophobicContact CE1-CG2 3.48Å; Y411-I413 VanDerWaalsContact CE1-CG2 3.48Å; I413-L415 HydrophobicContact CD1-CB 4.41Å; I413-L415 HydrophobicContact CD1-CD1 4.21Å; I413-Q419 HydrophobicContact CB-CB 4.23Å; I413-Q419 HydrophobicContact CG2-CB 3.93Å; I413-V420 HydrophobicContact CD1-CG2 4.4Å; I413-V420 HydrophobicContact CG2-CG1 3.9Å; I413-L428 HydrophobicContact CD1-CD1 4.02Å; I413-L428 HydrophobicContact CG1-CD1 4.4Å
414	V	93.4	Very high	94.2	Very high	11 Å²	11	58 Å²	58	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.7	166.9	-179.8	0	0	0	0	107.8	D385 F386 G416 A417 P525 F527	D385-V414 WeakPolarHBondContact O-CA 3.42Å; F386-V414 HydrophobicContact CD2-CG2 3.9Å; V414-G416 PolarHBondContact O-N 2.88Å; V414-A417 HydrophobicContact CB-CB 3.96Å; V414-A417 HydrophobicContact CG1-CB 4.22Å; V414-A417 VanDerWaalsContact O-CB 3.23Å; V414-A417 WeakPolarHBondContact O-CB 3.45Å; V414-A417 PolarHBondContact O-N 2.79Å; V414-A417 VanDerWaalsContact O-N 3.09Å; V414-P525 WeakPolarHBondContact CG2-O 3.27Å; V414-F527 HydrophobicContact CB-CE2 4.32Å; V414-F527 HydrophobicContact CB-CZ 4.33Å; V414-F527 HydrophobicContact CG1-CE2 4.26Å; V414-F527 HydrophobicContact CG1-CZ 4.46Å; V414-F527 HydrophobicContact CG2-CD2 4.29Å; V414-F527 HydrophobicContact CG2-CE2 3.65Å; V414-F527 HydrophobicContact CG2-CZ 3.96Å
415	L	94.1	Very high	94.2	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.037	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	125.8	-172.2	-172.9	60.7	0	0	0	110.7	A381 K383 G384 D385 I413 E425 L428	A381-L415 HydrophobicContact CB-CD2 4.06Å; K383-L415 CarbonylContact C-O 3.56Å; K383-L415 WeakPolarHBondContact CA-O 3.42Å; G384-L415 PolarHBondContact N-O 3.34Å; D385-L415 PolarHBondContact O-N 2.98Å; I413-L415 HydrophobicContact CD1-CB 4.41Å; I413-L415 HydrophobicContact CD1-CD1 4.21Å; L415-E425 HydrophobicContact CD1-CB 4.24Å; L415-L428 HydrophobicContact CD1-CB 4.08Å
416	G	91.2	Very high	94.3	Very high	25 Å²	25	57.4 Å²	57.4	26%	0.258	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	5.8	-175.8	0	0	0	0	0	114.8	V414 N418 E425	V414-G416 PolarHBondContact O-N 2.88Å; G416-N418 VanDerWaalsContact C-N 3.31Å; G416-E425 VanDerWaalsContact CA-OE2 3.28Å; G416-E425 WeakPolarHBondContact CA-OE2 3.33Å; G416-E425 PolarHBondContact N-OE1 2.97Å; G416-E425 PolarHBondContact N-OE2 3.32Å
417	A	90.3	Very high	94.5	Very high	42 Å²	42	52.3 Å²	52.3	35%	0.347	29%	0.287	S	S	.	.	S	Bend	trans	-88.9	7.6	173	0	0	0	0	0	113.2	V414 Q419	V414-A417 HydrophobicContact CB-CB 3.96Å; V414-A417 HydrophobicContact CG1-CB 4.22Å; V414-A417 VanDerWaalsContact O-CB 3.23Å; V414-A417 WeakPolarHBondContact O-CB 3.45Å; V414-A417 PolarHBondContact O-N 2.79Å; V414-A417 VanDerWaalsContact O-N 3.09Å; A417-Q419 VanDerWaalsContact C-N 3.26Å; A417-Q419 HydrophobicContact CB-CG 4.08Å; A417-Q419 PolarHBondContact O-N 3.25Å
418	N	90.8	Very high	94.8	Very high	133 Å²	133	45.8 Å²	45.8	71%	0.711	26%	0.261	S	S	*	.	S	Bend	trans	57.2	35.5	-178.7	-59	-55.6	0	0	0	113.4	G416 E425	G416-N418 VanDerWaalsContact C-N 3.31Å; N418-E425 VanDerWaalsContact CA-OE1 3.29Å; N418-E425 WeakPolarHBondContact CA-OE1 3.29Å; N418-E425 PolarHBondContact N-OE1 2.8Å
419	Q	92.1	Very high	95	Very high	84 Å²	84	47.8 Å²	47.8	39%	0.393	25%	0.249	S	C	.	.			trans	-85.1	-14.9	179.7	-69.3	-179.6	-39.8	0	0	113.1	I413 A417	I413-Q419 HydrophobicContact CB-CB 4.23Å; I413-Q419 HydrophobicContact CG2-CB 3.93Å; A417-Q419 VanDerWaalsContact C-N 3.26Å; A417-Q419 HydrophobicContact CB-CG 4.08Å; A417-Q419 PolarHBondContact O-N 3.25Å
420	V	95.3	Very high	95.1	Very high	27 Å²	27	46.4 Å²	46.4	16%	0.164	25%	0.245	C	C	.	.	S	Bend	trans	-130.8	170	177	-69.8	0	0	0	0	109.9	Y411 I413 M424 E425	Y411-V420 HydrophobicContact CD1-CG1 4.27Å; Y411-V420 HydrophobicContact CE1-CG1 3.62Å; I413-V420 HydrophobicContact CD1-CG2 4.4Å; I413-V420 HydrophobicContact CG2-CG1 3.9Å; V420-M424 HydrophobicContact CB-CB 4.12Å; V420-M424 HydrophobicContact CB-CG 4.08Å; V420-M424 HydrophobicContact CG1-CG 4.48Å; V420-M424 HydrophobicContact CG2-CB 3.93Å; V420-M424 HydrophobicContact CG2-CG 3.86Å; V420-E425 HydrophobicContact CG2-CG 3.6Å
421	V	96.1	Very high	95.1	Very high	21 Å²	21	44.8 Å²	44.8	13%	0.127	24%	0.235	C	C	.	.			trans	-59.4	146	177	-61.5	0	0	0	0	111.1	G423 M424 E425 I441 Y447	V421-G423 PolarHBondContact O-N 3.03Å; V421-G423 VanDerWaalsContact O-N 3.09Å; V421-M424 HydrophobicContact CG2-CB 3.8Å; V421-M424 WeakPolarHBondContact O-CB 3.41Å; V421-M424 PolarHBondContact O-N 2.98Å; V421-E425 PolarHBondContact O-N 2.93Å; V421-I441 HydrophobicContact CG2-CD1 4.47Å; V421-Y447 HydrophobicContact CG1-CD1 4.3Å; V421-Y447 HydrophobicContact CG1-CE1 4.04Å; V421-Y447 HydrophobicContact CG1-CE2 4.33Å
422	P	97.1	Very high	95.1	Very high	73 Å²	73	40.4 Å²	40.4	47%	0.474	22%	0.218	S	C	.	.	H	α-helix	trans	-51.6	-38.9	-174.8	-30	35.4	0	0	0	114.4	M424 E425 E426 L445	P422-M424 VanDerWaalsContact C-N 3.3Å; P422-M424 PolarHBondContact O-N 3.49Å; P422-E425 PolarHBondContact O-N 2.54Å; P422-E426 PolarHBondContact O-N 2.83Å; P422-E426 VanDerWaalsContact O-N 3.08Å; P422-L445 HydrophobicContact CB-CD2 4.24Å; P422-L445 WeakPolarHBondContact CD-O 3.21Å
423	G	97.1	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.6	-25.5	-179.8	0	0	0	0	0	114.2	V421 G427 L445	V421-G423 PolarHBondContact O-N 3.03Å; V421-G423 VanDerWaalsContact O-N 3.09Å; G423-G427 PolarHBondContact O-N 2.68Å; G423-L445 PolarHBondContact N-O 2.88Å
424	M	97.8	Very high	95.2	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-74.3	-37.9	172.6	-179.4	63.8	87.3	0	0	110.5	Y389 V420 V421 P422 E426 G427 L428 L439 I441 F464 I466	Y389-M424 HydrophobicContact CE2-CE 4.09Å; Y389-M424 HydrophobicContact CE2-SD 4.05Å; V420-M424 HydrophobicContact CB-CB 4.12Å; V420-M424 HydrophobicContact CB-CG 4.08Å; V420-M424 HydrophobicContact CG1-CG 4.48Å; V420-M424 HydrophobicContact CG2-CB 3.93Å; V420-M424 HydrophobicContact CG2-CG 3.86Å; V421-M424 HydrophobicContact CG2-CB 3.8Å; V421-M424 WeakPolarHBondContact O-CB 3.41Å; V421-M424 PolarHBondContact O-N 2.98Å; P422-M424 VanDerWaalsContact C-N 3.3Å; P422-M424 PolarHBondContact O-N 3.49Å; M424-E426 VanDerWaalsContact C-N 3.31Å; M424-E426 PolarHBondContact O-N 3.49Å; M424-G427 PolarHBondContact O-N 3.45Å; M424-L428 HydrophobicContact CG-CD1 3.96Å; M424-L428 HydrophobicContact CG-CG 4.47Å; M424-L428 WeakPolarHBondContact O-CG 3.32Å; M424-L428 PolarHBondContact O-N 3.27Å; M424-L428 HydrophobicContact SD-CD1 4.23Å; M424-L428 HydrophobicContact SD-CG 4.22Å; M424-L439 HydrophobicContact SD-CD1 3.92Å; M424-I441 HydrophobicContact CB-CD1 4.38Å; M424-F464 HydrophobicContact CE-CB 3.95Å; M424-F464 HydrophobicContact CE-CD1 3.2Å; M424-F464 HydrophobicContact CE-CD2 4.09Å; M424-F464 HydrophobicContact CE-CE1 3.55Å; M424-F464 HydrophobicContact CE-CE2 4.38Å; M424-F464 HydrophobicContact CE-CG 3.49Å; M424-F464 VanDerWaalsContact CE-CG 3.49Å; M424-F464 HydrophobicContact CE-CZ 4.13Å; M424-I466 HydrophobicContact CE-CG2 3.85Å; M424-I466 HydrophobicContact SD-CG2 3.88Å
425	E	96.4	Very high	95.4	Very high	30 Å²	30	40.6 Å²	40.6	14%	0.14	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-44.1	172	-65.9	-149.7	160.2	0	0	111.3	L415 G416 N418 V420 V421 P422 G427 L428 K429	L415-E425 HydrophobicContact CD1-CB 4.24Å; G416-E425 VanDerWaalsContact CA-OE2 3.28Å; G416-E425 WeakPolarHBondContact CA-OE2 3.33Å; G416-E425 PolarHBondContact N-OE1 2.97Å; G416-E425 PolarHBondContact N-OE2 3.32Å; N418-E425 VanDerWaalsContact CA-OE1 3.29Å; N418-E425 WeakPolarHBondContact CA-OE1 3.29Å; N418-E425 PolarHBondContact N-OE1 2.8Å; V420-E425 HydrophobicContact CG2-CG 3.6Å; V421-E425 PolarHBondContact O-N 2.93Å; P422-E425 PolarHBondContact O-N 2.54Å; E425-G427 PolarHBondContact O-N 3.16Å; E425-L428 PolarHBondContact O-N 3.35Å; E425-K429 PolarHBondContact O-N 3.44Å; E425-K429 VanDerWaalsContact O-N 3.13Å
426	E	96.9	Very high	95.6	Very high	84 Å²	84	45.8 Å²	45.8	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-42.8	175.5	-166.6	178.3	175.2	0	0	111.8	V366 I368 P422 M424 L428 K429	V366-E426 HydrophobicContact CG2-CB 4.32Å; V366-E426 VanDerWaalsContact CG2-OE2 3.31Å; V366-E426 WeakPolarHBondContact CG2-OE2 3.42Å; I368-E426 HydrophobicContact CD1-CG 4.28Å; P422-E426 PolarHBondContact O-N 2.83Å; P422-E426 VanDerWaalsContact O-N 3.08Å; M424-E426 VanDerWaalsContact C-N 3.31Å; M424-E426 PolarHBondContact O-N 3.49Å; E426-L428 PolarHBondContact O-N 3.48Å; E426-K429 WeakPolarHBondContact O-CB 3.22Å; E426-K429 PolarHBondContact O-N 3.25Å
427	G	96.9	Very high	96	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-35.5	178.9	0	0	0	0	0	114.8	G423 M424 E425 R437	G423-G427 PolarHBondContact O-N 2.68Å; M424-G427 PolarHBondContact O-N 3.45Å; E425-G427 PolarHBondContact O-N 3.16Å; G427-R437 WeakPolarHBondContact O-CD 3.47Å; G427-R437 PolarHBondContact O-NH1 3.3Å
428	L	97.5	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-80.4	-22.8	178	-71.3	166.3	0	0	0	113.1	V387 Y389 I413 L415 M424 E425 E426 M431 I466 M468	V387-L428 HydrophobicContact CG2-CD1 4.47Å; Y389-L428 HydrophobicContact CD1-CD1 4.11Å; Y389-L428 HydrophobicContact CD1-CD2 3.98Å; Y389-L428 HydrophobicContact CD2-CD2 4.06Å; Y389-L428 HydrophobicContact CE1-CD1 3.71Å; Y389-L428 HydrophobicContact CE1-CD2 4.35Å; Y389-L428 HydrophobicContact CE2-CD1 4.41Å; Y389-L428 HydrophobicContact CE2-CD2 4.41Å; Y389-L428 HydrophobicContact CG-CD2 3.83Å; I413-L428 HydrophobicContact CD1-CD1 4.02Å; I413-L428 HydrophobicContact CG1-CD1 4.4Å; L415-L428 HydrophobicContact CD1-CB 4.08Å; M424-L428 HydrophobicContact CG-CD1 3.96Å; M424-L428 HydrophobicContact CG-CG 4.47Å; M424-L428 WeakPolarHBondContact O-CG 3.32Å; M424-L428 PolarHBondContact O-N 3.27Å; M424-L428 HydrophobicContact SD-CD1 4.23Å; M424-L428 HydrophobicContact SD-CG 4.22Å; E425-L428 PolarHBondContact O-N 3.35Å; E426-L428 PolarHBondContact O-N 3.48Å; L428-M431 HydrophobicContact CD2-SD 4.28Å; L428-M431 WeakPolarHBondContact O-CB 3.46Å; L428-M431 PolarHBondContact O-N 3.06Å; L428-I466 HydrophobicContact CD2-CD1 3.8Å; L428-I466 HydrophobicContact CG-CD1 4.25Å; L428-M468 HydrophobicContact CD2-CE 3.82Å
429	K	96	Very high	96.6	Very high	115 Å²	115	39.6 Å²	39.6	50%	0.5	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	139.5	-179.6	-161	-170.1	172.1	-176.5	0	110.9	E425 E426 M431 R437	E425-K429 PolarHBondContact O-N 3.44Å; E425-K429 VanDerWaalsContact O-N 3.13Å; E426-K429 WeakPolarHBondContact O-CB 3.22Å; E426-K429 PolarHBondContact O-N 3.25Å; K429-M431 PolarHBondContact O-N 2.9Å; K429-M431 VanDerWaalsContact O-N 3.15Å; K429-R437 PolarHBondContact O-NH1 3.1Å
430	E	95.6	Very high	96.8	Very high	116 Å²	116	37 Å²	37	54%	0.542	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	21.8	-178.5	-55.9	179.7	-178	0	0	114.3	L380 A381 R437	L380-E430 HydrophobicContact CD1-CB 4.47Å; A381-E430 PolarHBondContact O-N 3.07Å; E430-R437 VanDerWaalsContact C-NH2 3.35Å; E430-R437 PolarHBondContact O-NH2 2.98Å
431	M	96.6	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.			trans	-89.9	142.8	173.8	-162.8	171.8	175.6	0	0	110	A381 L428 K429 E435 R437 I466 M468	A381-M431 WeakPolarHBondContact CB-O 3.37Å; A381-M431 PolarHBondContact N-O 2.02Å; L428-M431 HydrophobicContact CD2-SD 4.28Å; L428-M431 WeakPolarHBondContact O-CB 3.46Å; L428-M431 PolarHBondContact O-N 3.06Å; K429-M431 PolarHBondContact O-N 2.9Å; K429-M431 VanDerWaalsContact O-N 3.15Å; M431-E435 WeakPolarHBondContact CA-OE2 3.49Å; M431-E435 HydrophobicContact CE-CB 3.9Å; M431-E435 HydrophobicContact CE-CG 4.3Å; M431-E435 WeakPolarHBondContact CE-O 3.31Å; M431-E435 HydrophobicContact CG-CB 3.75Å; M431-E435 HydrophobicContact CG-CG 4.07Å; M431-R437 HydrophobicContact CE-CG 4.21Å; M431-R437 HydrophobicContact SD-CG 4.33Å; M431-I466 HydrophobicContact CE-CD1 4.19Å; M431-I466 HydrophobicContact CE-CG1 4.11Å; M431-I466 HydrophobicContact SD-CD1 3.64Å; M431-I466 HydrophobicContact SD-CG1 4.23Å; M431-M468 HydrophobicContact CB-CE 4.01Å; M431-M468 HydrophobicContact CE-CB 3.75Å; M431-M468 HydrophobicContact CG-CB 4.09Å; M431-M468 HydrophobicContact CG-CE 4.23Å; M431-M468 HydrophobicContact SD-CB 4.06Å; M431-M468 HydrophobicContact SD-CE 4.11Å
432	C	96.1	Very high	96.9	Very high	4 Å²	4	35 Å²	35	3%	0.027	18%	0.175	C	C	.	.			trans	-106.1	161.7	172	58	0	0	0	0	112.1	C377 T379 L380 G434 E435 M468	C377-C432 HydrophobicContact CB-CB 3.99Å; C377-C432 WeakPolarHBondContact CB-SG 3.29Å; C377-C432 WeakPolarHBondContact SG-CB 3.33Å; C377-C432 CovalentContact SG-SG 2.02Å; C377-C432 PolarHBondContact SG-SG 2.94Å; T379-C432 VanDerWaalsContact O-CB 3.31Å; T379-C432 WeakPolarHBondContact O-CB 3.47Å; L380-C432 HydrophobicContact CD2-CB 4.27Å; C432-G434 PolarHBondContact O-N 2.68Å; C432-E435 PolarHBondContact N-OE2 2.86Å; C432-E435 VanDerWaalsContact N-OE2 3.17Å; C432-E435 WeakPolarHBondContact O-CB 3.19Å; C432-E435 PolarHBondContact O-N 2.75Å; C432-M468 VanDerWaalsContact O-CB 3.29Å; C432-M468 WeakPolarHBondContact O-CB 3.46Å
433	V	97	Very high	96.8	Very high	66 Å²	66	31.6 Å²	31.6	40%	0.4	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	128.5	178.4	177	0	0	0	0	110.8	P374 E435 M468 I469 M471	P374-V433 WeakPolarHBondContact CG-O 3.31Å; V433-E435 VanDerWaalsContact C-N 3.34Å; V433-M468 HydrophobicContact CG2-CG 4.26Å; V433-I469 VanDerWaalsContact CG1-O 3.23Å; V433-I469 WeakPolarHBondContact CG1-O 3.27Å; V433-M471 HydrophobicContact CG2-CB 3.76Å
434	G	95.9	Very high	96.7	Very high	22 Å²	22	35.7 Å²	35.7	23%	0.227	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-7.2	-175.5	0	0	0	0	0	114.7	Y372 P374 C432 M468	Y372-G434 VanDerWaalsContact CD1-O 3.26Å; Y372-G434 WeakPolarHBondContact CD1-O 3.38Å; Y372-G434 VanDerWaalsContact CE1-O 3.3Å; Y372-G434 WeakPolarHBondContact CE1-O 3.31Å; P374-G434 VanDerWaalsContact CG-C 3.43Å; C432-G434 PolarHBondContact O-N 2.68Å; G434-M468 WeakPolarHBondContact CA-O 3.15Å; G434-M468 PolarHBondContact N-O 2.89Å
435	E	97.8	Very high	96.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.			trans	-65.8	149.4	173	-167.1	175.4	161.4	0	0	110.6	T370 Y372 K373 M431 C432 V433 R437 E467 M468	T370-E435 HydrophobicContact CG2-CG 3.99Å; T370-E435 WeakPolarHBondContact CG2-OE1 3.31Å; T370-E435 PolarHBondContact OG1-OE1 3.16Å; Y372-E435 WeakPolarHBondContact O-CA 3.44Å; Y372-E435 VanDerWaalsContact O-CG 3.27Å; Y372-E435 WeakPolarHBondContact O-CG 3.45Å; K373-E435 HydrophobicContact CG-CG 4.43Å; M431-E435 WeakPolarHBondContact CA-OE2 3.49Å; M431-E435 HydrophobicContact CE-CB 3.9Å; M431-E435 HydrophobicContact CE-CG 4.3Å; M431-E435 WeakPolarHBondContact CE-O 3.31Å; M431-E435 HydrophobicContact CG-CB 3.75Å; M431-E435 HydrophobicContact CG-CG 4.07Å; C432-E435 PolarHBondContact N-OE2 2.86Å; C432-E435 VanDerWaalsContact N-OE2 3.17Å; C432-E435 WeakPolarHBondContact O-CB 3.19Å; C432-E435 PolarHBondContact O-N 2.75Å; V433-E435 VanDerWaalsContact C-N 3.34Å; E435-R437 HydrophobicContact CG-CG 4.41Å; E435-R437 IonicContact OE1-CZ 3.97Å; E435-R437 VanDerWaalsContact OE1-CZ 3.25Å; E435-R437 IonicContact OE1-NE 3.77Å; E435-R437 PolarHBondContact OE1-NE 3.04Å; E435-R437 IonicContact OE1-NH2 3.29Å; E435-R437 PolarHBondContact OE1-NH2 3.26Å; E435-R437 IonicContact OE2-NH2 2.78Å; E435-R437 PolarHBondContact OE2-NH2 2.82Å; E435-E467 WeakPolarHBondContact O-CA 3.47Å; E435-M468 PolarHBondContact O-N 2.91Å; E435-M468 VanDerWaalsContact O-N 3.09Å
436	R	98.1	Very high	96.6	Very high	115 Å²	115	36.5 Å²	36.5	43%	0.434	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.9	171.9	-62.8	178.7	-72.5	170.2	-1.9	110.7	N371 Y372 I466 E467	N371-R436 PolarHBondContact N-O 2.57Å; Y372-R436 PolarHBondContact N-O 2.74Å; Y372-R436 PolarHBondContact O-N 2.84Å; R436-I466 CarbonylContact C-O 3.41Å; R436-I466 WeakPolarHBondContact CA-O 3.3Å; R436-E467 HydrophobicContact CG-CB 3.86Å; R436-E467 HydrophobicContact CG-CG 3.72Å
437	R	98.3	Very high	96.5	Very high	18 Å²	18	37.6 Å²	37.6	7%	0.068	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.4	-178.4	-64.1	178	175.2	-179.9	1.5	111.2	I368 T369 G427 K429 E430 M431 E435 L439 D465 I466	I368-R437 HydrophobicContact CG2-CG 4.42Å; T369-R437 CarbonylContact O-C 3.59Å; T369-R437 VanDerWaalsContact O-CA 3.29Å; T369-R437 WeakPolarHBondContact O-CA 3.35Å; G427-R437 WeakPolarHBondContact O-CD 3.47Å; G427-R437 PolarHBondContact O-NH1 3.3Å; K429-R437 PolarHBondContact O-NH1 3.1Å; E430-R437 VanDerWaalsContact C-NH2 3.35Å; E430-R437 PolarHBondContact O-NH2 2.98Å; M431-R437 HydrophobicContact CE-CG 4.21Å; M431-R437 HydrophobicContact SD-CG 4.33Å; E435-R437 HydrophobicContact CG-CG 4.41Å; E435-R437 IonicContact OE1-CZ 3.97Å; E435-R437 VanDerWaalsContact OE1-CZ 3.25Å; E435-R437 IonicContact OE1-NE 3.77Å; E435-R437 PolarHBondContact OE1-NE 3.04Å; E435-R437 IonicContact OE1-NH2 3.29Å; E435-R437 PolarHBondContact OE1-NH2 3.26Å; E435-R437 IonicContact OE2-NH2 2.78Å; E435-R437 PolarHBondContact OE2-NH2 2.82Å; R437-L439 HydrophobicContact CB-CD2 4.1Å; R437-D465 CarbonylContact O-C 3.6Å; R437-D465 WeakPolarHBondContact O-CA 3.31Å; R437-I466 HydrophobicContact CB-CD1 4.2Å; R437-I466 HydrophobicContact CB-CG1 3.8Å; R437-I466 PolarHBondContact N-O 3.05Å; R437-I466 PolarHBondContact O-N 2.66Å
438	H	97.3	Very high	96.4	Very high	53 Å²	53	38.6 Å²	38.6	25%	0.245	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.8	166.7	-177.3	83.6	0	0	0	108.5	T369 I463 F464 D465	T369-H438 PolarHBondContact N-O 3.49Å; T369-H438 PolarHBondContact O-N 3.04Å; H438-I463 WeakPolarHBondContact CE1-CG2 3.46Å; H438-F464 CarbonylContact C-O 3.59Å; H438-F464 WeakPolarHBondContact CA-O 3.36Å; H438-D465 IonicContact CE1-OD1 3.21Å; H438-D465 IonicContact CG-OD1 3.54Å; H438-D465 IonicContact ND1-OD1 2.94Å; H438-D465 PolarHBondContact ND1-OD1 3.06Å
439	L	97.7	Very high	96.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.6	-177.2	-48.3	-179.4	0	0	0	109.8	V366 V367 I368 M424 R437 I441 I463 F464 I466	V366-L439 HydrophobicContact CG1-CB 4.46Å; V367-L439 WeakPolarHBondContact O-CA 3.02Å; I368-L439 HydrophobicContact CB-CD2 4.24Å; I368-L439 HydrophobicContact CG1-CD2 3.98Å; I368-L439 HydrophobicContact CG2-CD2 3.88Å; M424-L439 HydrophobicContact SD-CD1 3.92Å; R437-L439 HydrophobicContact CB-CD2 4.1Å; L439-I441 HydrophobicContact CB-CD1 4.46Å; L439-I441 HydrophobicContact CB-CG1 4.2Å; L439-I441 HydrophobicContact CD1-CD1 4.44Å; L439-I463 WeakPolarHBondContact O-CA 3.49Å; L439-F464 HydrophobicContact CB-CB 4.21Å; L439-F464 HydrophobicContact CD1-CB 4.28Å; L439-F464 HydrophobicContact CG-CB 4.46Å; L439-F464 PolarHBondContact N-O 2.89Å; L439-F464 PolarHBondContact O-N 3.45Å; L439-I466 HydrophobicContact CD1-CD1 3.79Å; L439-I466 HydrophobicContact CD1-CG1 4.26Å; L439-I466 HydrophobicContact CD1-CG2 4.29Å; L439-I466 HydrophobicContact CD2-CD1 4.44Å; L439-I466 HydrophobicContact CG-CD1 4.26Å; L439-I466 HydrophobicContact CG-CG1 4.36Å
440	V	95.8	Very high	95.9	Very high	30 Å²	30	51.2 Å²	51.2	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109.2	165.7	-170.5	0	0	0	0	107.5	V366 V367 M396 V461 I463	V366-V440 WeakPolarHBondContact CA-O 3.02Å; V367-V440 HydrophobicContact CB-CB 3.95Å; V367-V440 HydrophobicContact CB-CG2 4.15Å; V367-V440 HydrophobicContact CG2-CB 4.34Å; V367-V440 PolarHBondContact N-O 2.92Å; V367-V440 PolarHBondContact O-N 3Å; M396-V440 HydrophobicContact SD-CG1 4.1Å; V440-V461 HydrophobicContact CG1-CG1 3.49Å; V440-V461 VanDerWaalsContact CG1-CG1 3.49Å; V440-I463 HydrophobicContact CB-CD1 4.05Å; V440-I463 HydrophobicContact CG1-CD1 3.88Å; V440-I463 HydrophobicContact CG2-CD1 3.68Å
441	I	96.9	Very high	95.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.3	-174.2	-58.3	175.3	0	0	0	109	V366 V421 M424 L439 L445 L462 F464	V366-I441 HydrophobicContact CG1-CG1 4.02Å; V366-I441 HydrophobicContact CG2-CG1 4.4Å; V421-I441 HydrophobicContact CG2-CD1 4.47Å; M424-I441 HydrophobicContact CB-CD1 4.38Å; L439-I441 HydrophobicContact CB-CD1 4.46Å; L439-I441 HydrophobicContact CB-CG1 4.2Å; L439-I441 HydrophobicContact CD1-CD1 4.44Å; I441-L445 HydrophobicContact CG2-CB 3.95Å; I441-L445 WeakPolarHBondContact CG2-O 3.34Å; I441-L462 HydrophobicContact CB-CB 4.31Å; I441-L462 PolarHBondContact N-O 2.82Å; I441-L462 PolarHBondContact O-N 2.76Å; I441-F464 HydrophobicContact CD1-CD2 3.66Å; I441-F464 HydrophobicContact CD1-CE2 3.98Å
442	P	95.9	Very high	95.6	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.026	24%	0.237	C	C	.	.			trans	-68.8	156.7	174.9	30	-34.5	0	0	0	110.6	D364 H444 L445 G446	D364-P442 HydrophobicContact CB-CB 4.09Å; D364-P442 HydrophobicContact CB-CG 4.16Å; P442-H444 VanDerWaalsContact C-N 3.3Å; P442-H444 PolarHBondContact O-N 2.79Å; P442-H444 VanDerWaalsContact O-N 3.17Å; P442-L445 HydrophobicContact CG-CB 4.39Å; P442-L445 HydrophobicContact CG-CD1 3.98Å; P442-L445 HydrophobicContact CG-CG 4.26Å; P442-L445 CarbonylContact O-C 3.58Å; P442-L445 PolarHBondContact O-N 2.68Å; P442-G446 PolarHBondContact O-N 2.88Å
443	P	95.4	Very high	95.3	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.019	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.3	-34.4	-167.3	-18.8	28.4	0	0	0	113.9	H360 L445 G446 Y447 G448 S459 A460	H360-P443 VanDerWaalsContact CD2-CD 3.46Å; H360-P443 WeakPolarHBondContact CD2-CD 3.14Å; H360-P443 VanDerWaalsContact CE1-CG 3.41Å; H360-P443 WeakPolarHBondContact CE1-CG 3.28Å; P443-L445 PolarHBondContact O-N 2.83Å; P443-G446 CarbonylContact O-C 3.51Å; P443-G446 VanDerWaalsContact O-C 3.29Å; P443-G446 WeakPolarHBondContact O-CA 3.48Å; P443-G446 PolarHBondContact O-N 3.38Å; P443-Y447 PolarHBondContact O-N 2.85Å; P443-G448 WeakPolarHBondContact O-CA 3.07Å; P443-G448 PolarHBondContact O-N 2.96Å; P443-S459 WeakPolarHBondContact CG-O 3.46Å; P443-A460 WeakPolarHBondContact CG-O 3.42Å
444	H	94.9	Very high	94.8	Very high	85 Å²	85	57 Å²	57	39%	0.394	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-68.5	-14.8	179.3	65.9	-87.7	0	0	0	113.5	P362 D364 P442	P362-H444 PolarHBondContact O-CE1 3.06Å; D364-H444 PolarHBondContact O-CE1 2.96Å; D364-H444 PolarHBondContact O-NE2 3.39Å; P442-H444 VanDerWaalsContact C-N 3.3Å; P442-H444 PolarHBondContact O-N 2.79Å; P442-H444 VanDerWaalsContact O-N 3.17Å
445	L	96.7	Very high	94.5	Very high	36 Å²	36	62.3 Å²	62.3	19%	0.188	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-104.5	4.7	168.9	-59.3	176.8	0	0	0	112.2	V366 P422 G423 I441 P442 P443	V366-L445 HydrophobicContact CG2-CB 4.5Å; V366-L445 HydrophobicContact CG2-CD1 3.68Å; P422-L445 HydrophobicContact CB-CD2 4.24Å; P422-L445 WeakPolarHBondContact CD-O 3.21Å; G423-L445 PolarHBondContact N-O 2.88Å; I441-L445 HydrophobicContact CG2-CB 3.95Å; I441-L445 WeakPolarHBondContact CG2-O 3.34Å; P442-L445 HydrophobicContact CG-CB 4.39Å; P442-L445 HydrophobicContact CG-CD1 3.98Å; P442-L445 HydrophobicContact CG-CG 4.26Å; P442-L445 CarbonylContact O-C 3.58Å; P442-L445 PolarHBondContact O-N 2.68Å; P443-L445 PolarHBondContact O-N 2.83Å
446	G	95.9	Very high	94.3	Very high	15 Å²	15	62.6 Å²	62.6	16%	0.155	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-126	178.6	0	0	0	0	0	111.5	P442 P443	P442-G446 PolarHBondContact O-N 2.88Å; P443-G446 CarbonylContact O-C 3.51Å; P443-G446 VanDerWaalsContact O-C 3.29Å; P443-G446 WeakPolarHBondContact O-CA 3.48Å; P443-G446 PolarHBondContact O-N 3.38Å
447	Y	95.1	Very high	94	Very high	108 Å²	108	60 Å²	60	42%	0.424	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5	-179.2	-64.6	-74	0	0	0	114.8	V421 P443 G451 V452 V456 L462	V421-Y447 HydrophobicContact CG1-CD1 4.3Å; V421-Y447 HydrophobicContact CG1-CE1 4.04Å; V421-Y447 HydrophobicContact CG1-CE2 4.33Å; P443-Y447 PolarHBondContact O-N 2.85Å; Y447-G451 PolarHBondContact O-N 2.95Å; Y447-V452 HydrophobicContact CD1-CG2 3.35Å; Y447-V452 HydrophobicContact CD2-CG2 4.05Å; Y447-V452 HydrophobicContact CE1-CG2 3.6Å; Y447-V452 HydrophobicContact CE2-CG2 4.27Å; Y447-V452 HydrophobicContact CG-CG2 3.59Å; Y447-V456 HydrophobicContact CD2-CB 4.2Å; Y447-V456 HydrophobicContact CD2-CG1 3.97Å; Y447-V456 HydrophobicContact CD2-CG2 3.93Å; Y447-V456 HydrophobicContact CE2-CG2 4.01Å; Y447-L462 HydrophobicContact CD2-CD1 3.72Å; Y447-L462 HydrophobicContact CE2-CD1 3.99Å
448	G	93.4	Very high	93.8	Very high	20 Å²	20	61 Å²	61	21%	0.206	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	-160.8	174	0	0	0	0	0	115	P443 R450 G451 S459	P443-G448 WeakPolarHBondContact O-CA 3.07Å; P443-G448 PolarHBondContact O-N 2.96Å; G448-R450 PolarHBondContact O-N 3.38Å; G448-G451 PolarHBondContact O-N 3.48Å; G448-S459 PolarHBondContact O-N 3.11Å
449	E	91.3	Very high	93.6	Very high	142 Å²	142	58.9 Å²	58.9	66%	0.664	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.2	180	-61.6	-175.2	163.1	0	0	113.5	A458	E449-A458 WeakPolarHBondContact O-CB 3.48Å
450	R	92.1	Very high	93.4	Very high	238 Å²	238	59 Å²	59	90%	0.898	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-33.3	178.5	-61.3	-173	-150.7	141.8	6.6	112.3	G448	G448-R450 PolarHBondContact O-N 3.38Å
451	G	92.8	Very high	93.3	Very high	15 Å²	15	57.9 Å²	57.9	16%	0.155	32%	0.315	C	S	.	.			trans	63.2	-157.6	-169.2	0	0	0	0	0	112.3	Y447 G448 V456	Y447-G451 PolarHBondContact O-N 2.95Å; G448-G451 PolarHBondContact O-N 3.48Å; G451-V456 CarbonylContact C-O 3.53Å; G451-V456 VanDerWaalsContact CA-O 3.29Å; G451-V456 WeakPolarHBondContact CA-O 3.39Å
452	V	93.4	Very high	93.3	Very high	43 Å²	43	57.9 Å²	57.9	26%	0.261	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-128.5	122.9	174.7	-177.6	0	0	0	0	107.6	Y447 G454 E455 V456	Y447-V452 HydrophobicContact CD1-CG2 3.35Å; Y447-V452 HydrophobicContact CD2-CG2 4.05Å; Y447-V452 HydrophobicContact CE1-CG2 3.6Å; Y447-V452 HydrophobicContact CE2-CG2 4.27Å; Y447-V452 HydrophobicContact CG-CG2 3.59Å; V452-G454 PolarHBondContact O-N 3.19Å; V452-E455 HydrophobicContact CB-CB 4.27Å; V452-E455 HydrophobicContact CG1-CB 4.07Å; V452-E455 HydrophobicContact CG1-CG 4.5Å; V452-E455 PolarHBondContact O-N 2.99Å; V452-E455 VanDerWaalsContact O-N 3.11Å; V452-V456 HydrophobicContact CB-CB 3.97Å; V452-V456 HydrophobicContact CB-CG2 4.26Å; V452-V456 HydrophobicContact CG2-CB 4.17Å; V452-V456 HydrophobicContact CG2-CG2 4.29Å; V452-V456 PolarHBondContact N-O 3.29Å; V452-V456 CarbonylContact O-C 3.47Å; V452-V456 PolarHBondContact O-N 2.96Å
453	D	90.2	Very high	93.3	Very high	168 Å²	168	58.2 Å²	58.2	90%	0.898	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	129.8	-175.7	-170.1	31.9	0	0	0	111.6	E455	D453-E455 PolarHBondContact O-N 2.78Å
454	G	86.3	Confident	93.5	Very high	82 Å²	82	58.8 Å²	58.8	85%	0.845	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	-8.6	-178.5	0	0	0	0	0	116.7	V452	V452-G454 PolarHBondContact O-N 3.19Å
455	E	90	Very high	93.6	Very high	133 Å²	133	57.6 Å²	57.6	62%	0.621	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-53.8	-174	-66.2	-177.3	-174	0	0	112.8	V452 D453	V452-E455 HydrophobicContact CB-CB 4.27Å; V452-E455 HydrophobicContact CG1-CB 4.07Å; V452-E455 HydrophobicContact CG1-CG 4.5Å; V452-E455 PolarHBondContact O-N 2.99Å; V452-E455 VanDerWaalsContact O-N 3.11Å; D453-E455 PolarHBondContact O-N 2.78Å
456	V	93.1	Very high	93.7	Very high	7 Å²	7	56 Å²	56	4%	0.042	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-123.2	114	-175.2	-179.5	0	0	0	0	109.2	I401 Y447 G451 V452 A460 L462	I401-V456 HydrophobicContact CD1-CG2 4.43Å; I401-V456 HydrophobicContact CG2-CG2 4.16Å; Y447-V456 HydrophobicContact CD2-CB 4.2Å; Y447-V456 HydrophobicContact CD2-CG1 3.97Å; Y447-V456 HydrophobicContact CD2-CG2 3.93Å; Y447-V456 HydrophobicContact CE2-CG2 4.01Å; G451-V456 CarbonylContact C-O 3.53Å; G451-V456 VanDerWaalsContact CA-O 3.29Å; G451-V456 WeakPolarHBondContact CA-O 3.39Å; V452-V456 HydrophobicContact CB-CB 3.97Å; V452-V456 HydrophobicContact CB-CG2 4.26Å; V452-V456 HydrophobicContact CG2-CB 4.17Å; V452-V456 HydrophobicContact CG2-CG2 4.29Å; V452-V456 PolarHBondContact N-O 3.29Å; V452-V456 CarbonylContact O-C 3.47Å; V452-V456 PolarHBondContact O-N 2.96Å; V456-A460 HydrophobicContact CG1-CB 4.03Å; V456-L462 HydrophobicContact CG1-CD2 3.72Å; V456-L462 HydrophobicContact CG2-CD2 4.46Å
457	P	92.2	Very high	93.8	Very high	60 Å²	60	57.9 Å²	57.9	39%	0.39	31%	0.312	S	S	.	.			trans	-64.5	155.3	178.5	-17.8	29.7	0	0	0	112.1	L395 S459 A460	L395-P457 HydrophobicContact CD1-CG 4.05Å; P457-S459 PolarHBondContact O-N 3.05Å; P457-A460 WeakPolarHBondContact O-CB 3.16Å; P457-A460 PolarHBondContact O-N 3.48Å
458	A	92.6	Very high	93.9	Very high	38 Å²	38	52.8 Å²	52.8	31%	0.314	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	137.1	174.1	0	0	0	0	0	112	R276 E449 A460	R276-A458 PolarHBondContact NH1-O 2.61Å; E449-A458 WeakPolarHBondContact O-CB 3.48Å; A458-A460 PolarHBondContact O-N 3.5Å; A458-A460 VanDerWaalsContact O-N 3.11Å
459	S	93	Very high	94.1	Very high	9 Å²	9	55 Å²	55	6%	0.063	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	29	176.5	-60.5	0	0	0	0	114.4	P443 G448 P457	P443-S459 WeakPolarHBondContact CG-O 3.46Å; G448-S459 PolarHBondContact O-N 3.11Å; P457-S459 PolarHBondContact O-N 3.05Å
460	A	93.9	Very high	94.3	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.025	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-77	135.8	178.8	0	0	0	0	0	113.9	R276 L395 P443 V456 P457 A458	R276-A460 VanDerWaalsContact CZ-CA 3.41Å; L395-A460 HydrophobicContact CD2-CB 3.8Å; P443-A460 WeakPolarHBondContact CG-O 3.42Å; V456-A460 HydrophobicContact CG1-CB 4.03Å; P457-A460 WeakPolarHBondContact O-CB 3.16Å; P457-A460 PolarHBondContact O-N 3.48Å; A458-A460 PolarHBondContact O-N 3.5Å; A458-A460 VanDerWaalsContact O-N 3.11Å
461	V	94.7	Very high	94.4	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-77.7	126.8	166.9	-176.6	0	0	0	0	108.6	D358 H360 M396 V440	D358-V461 HydrophobicContact CB-CB 4.49Å; D358-V461 HydrophobicContact CB-CG2 4.29Å; D358-V461 PolarHBondContact OD2-N 3.5Å; D358-V461 VanDerWaalsContact OD2-N 3.14Å; H360-V461 HydrophobicContact CB-CG2 3.89Å; M396-V461 HydrophobicContact SD-CG1 4.03Å; V440-V461 HydrophobicContact CG1-CG1 3.49Å; V440-V461 VanDerWaalsContact CG1-CG1 3.49Å
462	L	96.4	Very high	94.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	139.7	-177	-52.1	174.5	0	0	0	110.8	L395 I401 I441 Y447 V456 F464	L395-L462 HydrophobicContact CD2-CD2 4.26Å; I401-L462 HydrophobicContact CD1-CD2 3.95Å; I441-L462 HydrophobicContact CB-CB 4.31Å; I441-L462 PolarHBondContact N-O 2.82Å; I441-L462 PolarHBondContact O-N 2.76Å; Y447-L462 HydrophobicContact CD2-CD1 3.72Å; Y447-L462 HydrophobicContact CE2-CD1 3.99Å; V456-L462 HydrophobicContact CG1-CD2 3.72Å; V456-L462 HydrophobicContact CG2-CD2 4.46Å; L462-F464 HydrophobicContact CB-CD2 4.13Å; L462-F464 HydrophobicContact CB-CE2 3.72Å; L462-F464 HydrophobicContact CD1-CE2 3.91Å; L462-F464 HydrophobicContact CG-CE2 4.43Å
463	I	96.8	Very high	94.3	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.051	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.3	171.9	-62.9	-55.8	0	0	0	109	A393 S394 M396 H438 L439 V440	A393-I463 CarbonylContact C-O 3.29Å; A393-I463 WeakPolarHBondContact CA-O 3.31Å; S394-I463 PolarHBondContact N-O 3.48Å; S394-I463 WeakPolarHBondContact O-CA 3.41Å; S394-I463 WeakPolarHBondContact O-CB 3.49Å; S394-I463 PolarHBondContact O-N 3.08Å; M396-I463 HydrophobicContact CE-CD1 4.13Å; M396-I463 HydrophobicContact SD-CD1 3.54Å; M396-I463 VanDerWaalsContact SD-CD1 3.54Å; M396-I463 HydrophobicContact SD-CG1 3.99Å; H438-I463 WeakPolarHBondContact CE1-CG2 3.46Å; L439-I463 WeakPolarHBondContact O-CA 3.49Å; V440-I463 HydrophobicContact CB-CD1 4.05Å; V440-I463 HydrophobicContact CG1-CD1 3.88Å; V440-I463 HydrophobicContact CG2-CD1 3.68Å
464	F	98	Very high	94.2	Very high	16 Å²	16	38.9 Å²	38.9	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.2	171.7	-72.1	-92.7	0	0	0	111.1	Y391 N392 A393 M424 H438 L439 I441 L462 I466	Y391-F464 AromaticContact CD2-CD1 3.85Å; Y391-F464 HydrophobicContact CD2-CD1 3.85Å; Y391-F464 AromaticContact CD2-CE1 3.88Å; Y391-F464 HydrophobicContact CD2-CE1 3.88Å; Y391-F464 HydrophobicContact CE2-CE1 4.15Å; Y391-F464 HydrophobicContact CG-CD1 4.2Å; Y391-F464 HydrophobicContact CG-CE1 4.42Å; N392-F464 WeakPolarHBondContact O-CA 3.49Å; A393-F464 HydrophobicContact CB-CD1 3.7Å; A393-F464 HydrophobicContact CB-CE1 3.41Å; A393-F464 VanDerWaalsContact CB-CE1 3.41Å; A393-F464 HydrophobicContact CB-CZ 4.02Å; M424-F464 HydrophobicContact CE-CB 3.95Å; M424-F464 HydrophobicContact CE-CD1 3.2Å; M424-F464 HydrophobicContact CE-CD2 4.09Å; M424-F464 HydrophobicContact CE-CE1 3.55Å; M424-F464 HydrophobicContact CE-CE2 4.38Å; M424-F464 HydrophobicContact CE-CG 3.49Å; M424-F464 VanDerWaalsContact CE-CG 3.49Å; M424-F464 HydrophobicContact CE-CZ 4.13Å; H438-F464 CarbonylContact C-O 3.59Å; H438-F464 WeakPolarHBondContact CA-O 3.36Å; L439-F464 HydrophobicContact CB-CB 4.21Å; L439-F464 HydrophobicContact CD1-CB 4.28Å; L439-F464 HydrophobicContact CG-CB 4.46Å; L439-F464 PolarHBondContact N-O 2.89Å; L439-F464 PolarHBondContact O-N 3.45Å; I441-F464 HydrophobicContact CD1-CD2 3.66Å; I441-F464 HydrophobicContact CD1-CE2 3.98Å; L462-F464 HydrophobicContact CB-CD2 4.13Å; L462-F464 HydrophobicContact CB-CE2 3.72Å; L462-F464 HydrophobicContact CD1-CE2 3.91Å; L462-F464 HydrophobicContact CG-CE2 4.43Å; F464-I466 HydrophobicContact CB-CG2 4.05Å
465	D	98.1	Very high	94.2	Very high	59 Å²	59	35.9 Å²	35.9	32%	0.316	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.9	161.4	-68.3	-54.5	0	0	0	108.2	Y391 N392 R437 H438	Y391-D465 CarbonylContact C-O 3.57Å; Y391-D465 VanDerWaalsContact CA-O 3.23Å; Y391-D465 WeakPolarHBondContact CA-O 3.38Å; N392-D465 HydrophobicContact CB-CB 4.47Å; N392-D465 PolarHBondContact N-O 3.03Å; N392-D465 PolarHBondContact O-N 2.78Å; R437-D465 CarbonylContact O-C 3.6Å; R437-D465 WeakPolarHBondContact O-CA 3.31Å; H438-D465 IonicContact CE1-OD1 3.21Å; H438-D465 IonicContact CG-OD1 3.54Å; H438-D465 IonicContact ND1-OD1 2.94Å; H438-D465 PolarHBondContact ND1-OD1 3.06Å
466	I	98.2	Very high	93.9	Very high	3 Å²	3	33 Å²	33	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.8	-176.1	62.3	166.8	0	0	0	112.2	Y389 H390 M424 L428 M431 R436 R437 L439 F464	Y389-I466 HydrophobicContact CD2-CB 4.42Å; Y389-I466 HydrophobicContact CD2-CG2 4.3Å; Y389-I466 HydrophobicContact CE2-CG2 4.39Å; H390-I466 CarbonylContact O-C 3.6Å; H390-I466 VanDerWaalsContact O-CA 3.28Å; H390-I466 WeakPolarHBondContact O-CA 3.42Å; M424-I466 HydrophobicContact CE-CG2 3.85Å; M424-I466 HydrophobicContact SD-CG2 3.88Å; L428-I466 HydrophobicContact CD2-CD1 3.8Å; L428-I466 HydrophobicContact CG-CD1 4.25Å; M431-I466 HydrophobicContact CE-CD1 4.19Å; M431-I466 HydrophobicContact CE-CG1 4.11Å; M431-I466 HydrophobicContact SD-CD1 3.64Å; M431-I466 HydrophobicContact SD-CG1 4.23Å; R436-I466 CarbonylContact C-O 3.41Å; R436-I466 WeakPolarHBondContact CA-O 3.3Å; R437-I466 HydrophobicContact CB-CD1 4.2Å; R437-I466 HydrophobicContact CB-CG1 3.8Å; R437-I466 PolarHBondContact N-O 3.05Å; R437-I466 PolarHBondContact O-N 2.66Å; L439-I466 HydrophobicContact CD1-CD1 3.79Å; L439-I466 HydrophobicContact CD1-CG1 4.26Å; L439-I466 HydrophobicContact CD1-CG2 4.29Å; L439-I466 HydrophobicContact CD2-CD1 4.44Å; L439-I466 HydrophobicContact CG-CD1 4.26Å; L439-I466 HydrophobicContact CG-CG1 4.36Å; F464-I466 HydrophobicContact CB-CG2 4.05Å
467	E	97.9	Very high	93.3	Very high	54 Å²	54	38.3 Å²	38.3	25%	0.252	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.7	174.9	-178.6	175	-151.5	0	0	109.9	Y389 H390 Y405 E435 R436 I469	Y389-E467 CarbonylContact C-O 3.52Å; Y389-E467 WeakPolarHBondContact CA-O 3.4Å; Y389-E467 WeakPolarHBondContact CB-O 3.46Å; H390-E467 HydrophobicContact CB-CB 4.42Å; H390-E467 PolarHBondContact N-O 3Å; H390-E467 PolarHBondContact O-N 2.86Å; Y405-E467 PolarHBondContact OH-OE2 2.95Å; E435-E467 WeakPolarHBondContact O-CA 3.47Å; R436-E467 HydrophobicContact CG-CB 3.86Å; R436-E467 HydrophobicContact CG-CG 3.72Å; E467-I469 HydrophobicContact CB-CD1 4.46Å; E467-I469 HydrophobicContact CG-CD1 3.76Å
468	M	97.5	Very high	92.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.4	177.4	-174.7	65.3	71.7	0	0	109.6	A381 V387 L428 M431 C432 V433 G434 E435	A381-M468 HydrophobicContact CB-CE 4.44Å; V387-M468 HydrophobicContact CB-CE 3.99Å; V387-M468 HydrophobicContact CB-SD 3.78Å; V387-M468 HydrophobicContact CG1-CE 3.99Å; V387-M468 HydrophobicContact CG1-SD 4.13Å; V387-M468 HydrophobicContact CG2-CE 4.49Å; L428-M468 HydrophobicContact CD2-CE 3.82Å; M431-M468 HydrophobicContact CB-CE 4.01Å; M431-M468 HydrophobicContact CE-CB 3.75Å; M431-M468 HydrophobicContact CG-CB 4.09Å; M431-M468 HydrophobicContact CG-CE 4.23Å; M431-M468 HydrophobicContact SD-CB 4.06Å; M431-M468 HydrophobicContact SD-CE 4.11Å; C432-M468 VanDerWaalsContact O-CB 3.29Å; C432-M468 WeakPolarHBondContact O-CB 3.46Å; V433-M468 HydrophobicContact CG2-CG 4.26Å; G434-M468 WeakPolarHBondContact CA-O 3.15Å; G434-M468 PolarHBondContact N-O 2.89Å; E435-M468 PolarHBondContact O-N 2.91Å; E435-M468 VanDerWaalsContact O-N 3.09Å
469	I	97.1	Very high	92	Very high	66 Å²	66	40.8 Å²	40.8	34%	0.338	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-43.3	-175.3	-57	-59.1	0	0	0	111.5	K388 T410 V433 E467	K388-I469 WeakPolarHBondContact O-CA 3.49Å; K388-I469 WeakPolarHBondContact O-CB 3.5Å; K388-I469 PolarHBondContact O-N 3.23Å; T410-I469 HydrophobicContact CG2-CB 4.13Å; T410-I469 HydrophobicContact CG2-CG1 4.01Å; T410-I469 HydrophobicContact CG2-CG2 4.24Å; V433-I469 VanDerWaalsContact CG1-O 3.23Å; V433-I469 WeakPolarHBondContact CG1-O 3.27Å; E467-I469 HydrophobicContact CB-CD1 4.46Å; E467-I469 HydrophobicContact CG-CD1 3.76Å
470	E	95.7	Very high	91.4	Very high	92 Å²	92	43.1 Å²	43.1	43%	0.43	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	149.3	-177.9	-161.9	-177.6	162.8	0	0	109.8	K388	K388-E470 HydrophobicContact CB-CB 4.05Å; K388-E470 HydrophobicContact CD-CB 4.19Å; K388-E470 WeakPolarHBondContact CD-OE2 3.37Å; K388-E470 WeakPolarHBondContact CE-OE2 3.38Å; K388-E470 HydrophobicContact CG-CB 4.26Å; K388-E470 PolarHBondContact N-O 3.49Å; K388-E470 IonicContact NZ-OE1 2.83Å; K388-E470 IonicContact NZ-OE2 3.66Å; K388-E470 PolarHBondContact NZ-OE2 3.19Å; K388-E470 PolarHBondContact O-N 2.83Å
471	M	94.9	Very high	91.2	Very high	35 Å²	35	44 Å²	44	17%	0.172	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128.2	177.2	177.4	174.3	63.9	0	0	109.1	T379 A381 D385 F386 V387 V433	T379-M471 HydrophobicContact CG2-CE 3.42Å; T379-M471 VanDerWaalsContact CG2-CE 3.42Å; T379-M471 WeakPolarHBondContact O-CE 3.33Å; A381-M471 WeakPolarHBondContact CA-SD 3.48Å; A381-M471 HydrophobicContact CB-SD 3.66Å; D385-M471 HydrophobicContact CB-CG 4.34Å; F386-M471 WeakPolarHBondContact O-CA 3.17Å; V387-M471 HydrophobicContact CG1-CB 4.47Å; V387-M471 HydrophobicContact CG1-CG 4.1Å; V433-M471 HydrophobicContact CG2-CB 3.76Å
472	E	93.4	Very high	90.9	Very high	78 Å²	78	45.6 Å²	45.6	36%	0.364	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129	171.1	-169.7	-174.2	160.7	0	0	108.8	D385 F386 G474 R522 P525	D385-E472 WeakPolarHBondContact CA-O 3.23Å; F386-E472 HydrophobicContact CB-CB 4.39Å; F386-E472 PolarHBondContact N-O 2.87Å; F386-E472 PolarHBondContact O-N 2.92Å; E472-G474 PolarHBondContact O-N 2.85Å; E472-R522 IonicContact OE1-NH1 3.54Å; E472-R522 PolarHBondContact OE1-NH1 3.03Å; E472-R522 VanDerWaalsContact OE1-NH1 3.08Å; E472-P525 HydrophobicContact CB-CB 4.43Å; E472-P525 VanDerWaalsContact CD-CB 3.48Å; E472-P525 HydrophobicContact CG-CB 4.23Å; E472-P525 HydrophobicContact CG-CG 4.33Å; E472-P525 WeakPolarHBondContact OE2-CB 3.2Å
473	A	90.4	Very high	90.5	Very high	51 Å²	51	48.5 Å²	48.5	42%	0.421	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-59.4	139.3	-176.9	0	0	0	0	0	111.6	D385 R522	D385-A473 WeakPolarHBondContact OD1-CA 3.3Å; A473-R522 PolarHBondContact O-NH1 3.34Å; A473-R522 PolarHBondContact O-NH2 3.05Å
474	G	87.9	Confident	90	Very high	12 Å²	12	52.2 Å²	52.2	12%	0.124	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-67.1	172.8	175	0	0	0	0	0	113.6	G384 D385 E472 R522	G384-G474 VanDerWaalsContact C-CA 3.49Å; G384-G474 WeakPolarHBondContact O-CA 3.41Å; D385-G474 PolarHBondContact OD1-N 3.28Å; E472-G474 PolarHBondContact O-N 2.85Å; G474-R522 PolarHBondContact O-NH2 3.12Å
475	L	87.1	Confident	89.3	Confident	20 Å²	20	57.2 Å²	57.2	11%	0.105	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-84.3	159.2	162.3	-61.3	-170.5	0	0	0	110.1	M480 I482 A524	L475-M480 WeakPolarHBondContact CD1-O 3.33Å; L475-I482 HydrophobicContact CB-CG2 4.5Å; L475-I482 HydrophobicContact CD1-CG2 4.34Å; L475-I482 HydrophobicContact CD2-CB 4.29Å; L475-I482 HydrophobicContact CD2-CD1 3.57Å; L475-I482 HydrophobicContact CD2-CG1 3.54Å; L475-I482 HydrophobicContact CD2-CG2 3.96Å; L475-A524 HydrophobicContact CD1-CB 3.95Å; L475-A524 HydrophobicContact CG-CB 4.31Å
476	P	83.6	Confident	88.5	Confident	73 Å²	73	62.3 Å²	62.3	47%	0.474	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-56.8	152.6	169.8	-21.3	33	0	0	0	111.8	G478 Y479	P476-G478 PolarHBondContact O-N 3.47Å; P476-Y479 HydrophobicContact CB-CD2 3.84Å; P476-Y479 HydrophobicContact CB-CE2 4.29Å; P476-Y479 WeakPolarHBondContact O-CB 3.4Å; P476-Y479 PolarHBondContact O-N 3.47Å
477	D	79.3	Confident	87.7	Confident	117 Å²	117	64.9 Å²	64.9	63%	0.626	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	130.6	-177.4	-80.2	-13.3	0	0	0	111.7	K383 Y479	K383-D477 IonicContact NZ-OD2 3.13Å; D477-Y479 WeakPolarHBondContact O-CD2 3.31Å
478	G	75.6	Confident	87	Confident	54 Å²	54	64.2 Å²	64.2	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	6.4	-179.1	0	0	0	0	0	115.7	P476 K556	P476-G478 PolarHBondContact O-N 3.47Å; G478-K556 VanDerWaalsContact C-NZ 3.3Å; G478-K556 PolarHBondContact O-NZ 3.47Å
479	Y	82.1	Confident	86.2	Confident	97 Å²	97	69 Å²	69	38%	0.38	39%	0.391	S	S	.	.			trans	-102.8	130.7	174.2	-70.1	-99.2	0	0	0	111.3	P476 D477 I482 K556	P476-Y479 HydrophobicContact CB-CD2 3.84Å; P476-Y479 HydrophobicContact CB-CE2 4.29Å; P476-Y479 WeakPolarHBondContact O-CB 3.4Å; P476-Y479 PolarHBondContact O-N 3.47Å; D477-Y479 WeakPolarHBondContact O-CD2 3.31Å; Y479-I482 HydrophobicContact CD1-CG2 4.23Å; Y479-I482 HydrophobicContact CG-CG2 4.29Å; Y479-K556 HydrophobicContact CD1-CD 4.45Å; Y479-K556 HydrophobicContact CE1-CD 4.07Å
480	M	82.1	Confident	85.6	Confident	57 Å²	57	71 Å²	71	28%	0.281	40%	0.402	S	S	.	.	S	Bend	trans	-93.8	-21.6	171.4	-76.7	-169.5	-70.4	0	0	112.7	L475 A524 I532 N535 M536 N539	L475-M480 WeakPolarHBondContact CD1-O 3.33Å; M480-A524 PolarHBondContact O-N 3.38Å; M480-I532 HydrophobicContact CB-CG2 3.76Å; M480-I532 HydrophobicContact CG-CG2 4.33Å; M480-I532 HydrophobicContact SD-CG2 4.36Å; M480-N535 HydrophobicContact CE-CB 4.2Å; M480-N535 HydrophobicContact SD-CB 3.95Å; M480-M536 HydrophobicContact CB-CG 4.03Å; M480-M536 HydrophobicContact CB-SD 4.28Å; M480-M536 HydrophobicContact CE-CG 3.83Å; M480-M536 HydrophobicContact SD-CG 4.41Å; M480-N539 WeakPolarHBondContact CE-ND2 2.97Å
481	F	87.7	Confident	85.2	Confident	21 Å²	21	67.1 Å²	67.1	9%	0.092	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.7	178.6	175.8	-94	0	0	0	109	W483 I512 Q515 V516 R522 L523 M536	F481-W483 AromaticContact CE1-CD1 4Å; F481-W483 AromaticContact CE1-CD2 3.62Å; F481-W483 HydrophobicContact CE1-CD2 3.62Å; F481-W483 AromaticContact CE1-CE2 3.53Å; F481-W483 HydrophobicContact CE1-CE3 4.09Å; F481-W483 AromaticContact CE1-CG 3.96Å; F481-W483 HydrophobicContact CE1-CG 3.96Å; F481-W483 HydrophobicContact CE1-CH2 4.44Å; F481-W483 AromaticContact CE1-CZ2 3.96Å; F481-W483 HydrophobicContact CE1-CZ2 3.96Å; F481-W483 HydrophobicContact CE1-CZ3 4.48Å; F481-W483 AromaticContact CE1-NE1 3.74Å; F481-W483 HydrophobicContact CZ-CD2 4.16Å; F481-W483 HydrophobicContact CZ-CE3 4.17Å; F481-W483 HydrophobicContact CZ-CZ2 4.49Å; F481-W483 HydrophobicContact CZ-CZ3 4.37Å; F481-I512 HydrophobicContact CD2-CG2 4.08Å; F481-I512 HydrophobicContact CE2-CG2 4.06Å; F481-Q515 HydrophobicContact CZ-CB 4.25Å; F481-V516 HydrophobicContact CD2-CG2 4.38Å; F481-V516 HydrophobicContact CE2-CG2 3.87Å; F481-R522 CarbonylContact C-O 3.6Å; F481-R522 VanDerWaalsContact CA-O 3.32Å; F481-R522 WeakPolarHBondContact CA-O 3.28Å; F481-L523 HydrophobicContact CB-CD2 4.09Å; F481-L523 HydrophobicContact CD2-CD2 3.77Å; F481-L523 HydrophobicContact CD2-CG 4.09Å; F481-L523 HydrophobicContact CG-CD2 4.4Å; F481-M536 HydrophobicContact CB-CE 3.55Å; F481-M536 HydrophobicContact CB-SD 3.73Å; F481-M536 HydrophobicContact CD1-CE 4.39Å; F481-M536 HydrophobicContact CG-CE 3.96Å
482	I	88.6	Confident	84.9	Confident	40 Å²	40	66 Å²	66	21%	0.205	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	154	168.3	66.7	175.3	0	0	0	110.3	L475 Y479 G521 R522	L475-I482 HydrophobicContact CB-CG2 4.5Å; L475-I482 HydrophobicContact CD1-CG2 4.34Å; L475-I482 HydrophobicContact CD2-CB 4.29Å; L475-I482 HydrophobicContact CD2-CD1 3.57Å; L475-I482 HydrophobicContact CD2-CG1 3.54Å; L475-I482 HydrophobicContact CD2-CG2 3.96Å; Y479-I482 HydrophobicContact CD1-CG2 4.23Å; Y479-I482 HydrophobicContact CG-CG2 4.29Å; I482-G521 CarbonylContact O-C 3.59Å; I482-G521 WeakPolarHBondContact O-CA 3.37Å; I482-R522 HydrophobicContact CG1-CB 4.18Å; I482-R522 PolarHBondContact N-O 3.36Å; I482-R522 PolarHBondContact O-N 3.19Å
483	W	88.3	Confident	84.6	Confident	62 Å²	62	66.3 Å²	66.3	24%	0.235	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.5	168.4	-62.8	98.5	0	0	0	109.9	F481 E485 V487 L491 Y511 Q515	F481-W483 AromaticContact CE1-CD1 4Å; F481-W483 AromaticContact CE1-CD2 3.62Å; F481-W483 HydrophobicContact CE1-CD2 3.62Å; F481-W483 AromaticContact CE1-CE2 3.53Å; F481-W483 HydrophobicContact CE1-CE3 4.09Å; F481-W483 AromaticContact CE1-CG 3.96Å; F481-W483 HydrophobicContact CE1-CG 3.96Å; F481-W483 HydrophobicContact CE1-CH2 4.44Å; F481-W483 AromaticContact CE1-CZ2 3.96Å; F481-W483 HydrophobicContact CE1-CZ2 3.96Å; F481-W483 HydrophobicContact CE1-CZ3 4.48Å; F481-W483 AromaticContact CE1-NE1 3.74Å; F481-W483 HydrophobicContact CZ-CD2 4.16Å; F481-W483 HydrophobicContact CZ-CE3 4.17Å; F481-W483 HydrophobicContact CZ-CZ2 4.49Å; F481-W483 HydrophobicContact CZ-CZ3 4.37Å; W483-E485 WeakPolarHBondContact CB-O 3.04Å; W483-V487 HydrophobicContact CB-CG2 4.09Å; W483-V487 HydrophobicContact CD2-CG2 4.08Å; W483-V487 HydrophobicContact CG-CG2 3.61Å; W483-V487 HydrophobicContact CZ2-CG1 4.3Å; W483-L491 HydrophobicContact CH2-CD1 3.77Å; W483-L491 HydrophobicContact CZ2-CD1 3.74Å; W483-L491 HydrophobicContact CZ2-CD2 3.89Å; W483-Y511 AromaticContact CH2-CE1 3.82Å; W483-Y511 HydrophobicContact CH2-CE1 3.82Å; W483-Q515 HydrophobicContact CH2-CG 3.8Å; W483-Q515 HydrophobicContact CZ3-CB 4.09Å; W483-Q515 HydrophobicContact CZ3-CG 3.66Å
484	N	86.1	Confident	84.5	Confident	88 Å²	88	67.7 Å²	67.7	47%	0.471	38%	0.383	S	S	.	.	S	Bend	trans	-92.1	-17.1	173.1	-63.9	-26.8	0	0	0	111.9	G519 K520	N484-G519 PolarHBondContact ND2-O 2.87Å; N484-K520 PolarHBondContact N-O 3.22Å
485	E	84.8	Confident	84.6	Confident	122 Å²	122	67.3 Å²	67.3	57%	0.57	38%	0.378	S	S	*	.	S	Bend	trans	-125.1	174.7	178.6	-61.9	-173.8	168.4	0	0	110.3	W483 V487	W483-E485 WeakPolarHBondContact CB-O 3.04Å; E485-V487 PolarHBondContact O-N 3.33Å
486	D	80.9	Confident	84.8	Confident	166 Å²	166	66.7 Å²	66.7	89%	0.888	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-61.1	135.5	175.5	-69.7	-36.4	0	0	0	111
487	V	81.9	Confident	85.1	Confident	57 Å²	57	66.9 Å²	66.9	35%	0.345	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-72.5	132.1	179.4	-170.1	0	0	0	0	109.7	W483 E485 L491 L555	W483-V487 HydrophobicContact CB-CG2 4.09Å; W483-V487 HydrophobicContact CD2-CG2 4.08Å; W483-V487 HydrophobicContact CG-CG2 3.61Å; W483-V487 HydrophobicContact CZ2-CG1 4.3Å; E485-V487 PolarHBondContact O-N 3.33Å; V487-L491 HydrophobicContact CG1-CD2 3.69Å; V487-L555 HydrophobicContact CG1-CD1 4Å
488	S	83.2	Confident	85.7	Confident	39 Å²	39	66.3 Å²	66.3	27%	0.273	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-60.5	136.6	175.5	-174.8	0	0	0	0	111.1	D490 L491 E494	S488-D490 PolarHBondContact O-N 3.49Å; S488-D490 PolarHBondContact OG-N 2.92Å; S488-L491 WeakPolarHBondContact O-CB 3.42Å; S488-L491 PolarHBondContact O-N 3.03Å; S488-E494 WeakPolarHBondContact CB-OE1 3.41Å; S488-E494 PolarHBondContact OG-OE1 2.87Å
489	A	79.5	Confident	86.4	Confident	103 Å²	103	71.5 Å²	71.5	85%	0.851	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.9	175.4	0	0	0	0	0	112.4
490	D	84.4	Confident	86.9	Confident	107 Å²	107	70.1 Å²	70.1	57%	0.572	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	26.6	-177.5	-58.2	-44	0	0	0	111.6	S488 F492 T493 E494	S488-D490 PolarHBondContact O-N 3.49Å; S488-D490 PolarHBondContact OG-N 2.92Å; D490-F492 VanDerWaalsContact C-N 3.27Å; D490-F492 PolarHBondContact O-N 3.13Å; D490-F492 VanDerWaalsContact O-N 3.13Å; D490-T493 WeakPolarHBondContact O-CA 3.14Å; D490-T493 WeakPolarHBondContact O-CB 3.3Å; D490-T493 PolarHBondContact O-N 3.08Å; D490-E494 PolarHBondContact O-N 3.06Å
491	L	87	Confident	87.3	Confident	10 Å²	10	73 Å²	73	5%	0.052	40%	0.402	C	S	.	.	H	α-helix	trans	-50.3	-41.9	-171.6	179.9	59	0	0	0	113.8	W483 V487 S488 E494 M495 Y511 F553 L555	W483-L491 HydrophobicContact CH2-CD1 3.77Å; W483-L491 HydrophobicContact CZ2-CD1 3.74Å; W483-L491 HydrophobicContact CZ2-CD2 3.89Å; V487-L491 HydrophobicContact CG1-CD2 3.69Å; S488-L491 WeakPolarHBondContact O-CB 3.42Å; S488-L491 PolarHBondContact O-N 3.03Å; L491-E494 PolarHBondContact O-N 2.84Å; L491-M495 HydrophobicContact CD1-SD 4.19Å; L491-M495 HydrophobicContact CG-SD 4.15Å; L491-M495 WeakPolarHBondContact O-CG 3.32Å; L491-M495 PolarHBondContact O-N 2.85Å; L491-M495 VanDerWaalsContact O-N 3.1Å; L491-Y511 HydrophobicContact CD1-CE1 3.51Å; L491-Y511 WeakPolarHBondContact CD1-OH 3.4Å; L491-F553 HydrophobicContact CB-CE1 4.38Å; L491-F553 HydrophobicContact CD2-CE1 3.87Å; L491-F553 HydrophobicContact CD2-CZ 3.46Å; L491-F553 VanDerWaalsContact CD2-CZ 3.46Å; L491-F553 HydrophobicContact CG-CE1 4.12Å; L491-F553 HydrophobicContact CG-CZ 3.78Å; L491-L555 HydrophobicContact CD2-CD1 4.46Å; L491-L555 HydrophobicContact CD2-CD2 3.86Å
492	F	88.4	Confident	87.4	Confident	13 Å²	13	74.9 Å²	74.9	6%	0.057	41%	0.411	C	S	.	.	H	α-helix	trans	-61.4	-46.4	176.5	-176.4	-91.4	0	0	0	111.6	D490 E494 M495 D496 V503 I548 E550 F553	D490-F492 VanDerWaalsContact C-N 3.27Å; D490-F492 PolarHBondContact O-N 3.13Å; D490-F492 VanDerWaalsContact O-N 3.13Å; F492-E494 VanDerWaalsContact C-N 3.27Å; F492-E494 PolarHBondContact O-N 3.47Å; F492-M495 PolarHBondContact O-N 3.11Å; F492-M495 VanDerWaalsContact O-N 3.16Å; F492-D496 HydrophobicContact CE1-CB 4.47Å; F492-D496 WeakPolarHBondContact O-CB 3.39Å; F492-D496 PolarHBondContact O-N 2.95Å; F492-V503 HydrophobicContact CD2-CG2 4.21Å; F492-V503 HydrophobicContact CE2-CG2 3.78Å; F492-V503 HydrophobicContact CZ-CG2 4.03Å; F492-I548 HydrophobicContact CE2-CG2 4.44Å; F492-I548 WeakPolarHBondContact CE2-O 3.36Å; F492-E550 HydrophobicContact CD1-CB 4.08Å; F492-E550 HydrophobicContact CD1-CG 4.28Å; F492-E550 HydrophobicContact CD2-CB 4.44Å; F492-E550 HydrophobicContact CE1-CB 3.96Å; F492-E550 HydrophobicContact CE2-CB 4.32Å; F492-E550 VanDerWaalsContact CE2-N 3.31Å; F492-E550 HydrophobicContact CG-CB 4.34Å; F492-E550 HydrophobicContact CG-CG 4.38Å; F492-E550 HydrophobicContact CZ-CB 4.09Å; F492-E550 VanDerWaalsContact CZ-N 3.28Å; F492-F553 HydrophobicContact CB-CD1 4.41Å; F492-F553 HydrophobicContact CD2-CB 3.85Å; F492-F553 HydrophobicContact CD2-CG 4.06Å; F492-F553 HydrophobicContact CE2-CB 4.39Å
493	T	87.6	Confident	87.6	Confident	83 Å²	83	73 Å²	73	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-66.7	-27.6	178.4	-50.2	0	0	0	0	112.7	D490	D490-T493 WeakPolarHBondContact O-CA 3.14Å; D490-T493 WeakPolarHBondContact O-CB 3.3Å; D490-T493 PolarHBondContact O-N 3.08Å
494	E	88.5	Confident	87.9	Confident	81 Å²	81	73.5 Å²	73.5	38%	0.379	41%	0.408	S	S	.	.	H	α-helix	trans	-77.5	-26	174.4	-61.8	-177.1	-177.3	0	0	113.4	S488 D490 L491 F492 Y511	S488-E494 WeakPolarHBondContact CB-OE1 3.41Å; S488-E494 PolarHBondContact OG-OE1 2.87Å; D490-E494 PolarHBondContact O-N 3.06Å; L491-E494 PolarHBondContact O-N 2.84Å; F492-E494 VanDerWaalsContact C-N 3.27Å; F492-E494 PolarHBondContact O-N 3.47Å; E494-Y511 HydrophobicContact CB-CD2 4.48Å; E494-Y511 HydrophobicContact CB-CE2 3.61Å; E494-Y511 WeakPolarHBondContact O-CD2 3.2Å; E494-Y511 PolarHBondContact OE2-OH 2.96Å
495	M	90.7	Very high	88.2	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.02	40%	0.403	C	S	.	.	H	α-helix	trans	-80.6	-39.6	175.8	-79.7	169.8	37.1	0	0	112.2	L491 F492 A497 V503 F508 Y511 F553	L491-M495 HydrophobicContact CD1-SD 4.19Å; L491-M495 HydrophobicContact CG-SD 4.15Å; L491-M495 WeakPolarHBondContact O-CG 3.32Å; L491-M495 PolarHBondContact O-N 2.85Å; L491-M495 VanDerWaalsContact O-N 3.1Å; F492-M495 PolarHBondContact O-N 3.11Å; F492-M495 VanDerWaalsContact O-N 3.16Å; M495-A497 PolarHBondContact O-N 3.05Å; M495-V503 HydrophobicContact CB-CG1 4.21Å; M495-V503 HydrophobicContact CB-CG2 3.96Å; M495-V503 HydrophobicContact CE-CB 4.4Å; M495-V503 HydrophobicContact CE-CG1 3.84Å; M495-V503 HydrophobicContact CE-CG2 4.2Å; M495-F508 HydrophobicContact CE-CD2 3.34Å; M495-F508 HydrophobicContact CE-CE2 3.7Å; M495-F508 HydrophobicContact CE-CG 4.41Å; M495-F508 HydrophobicContact SD-CD2 4.47Å; M495-Y511 HydrophobicContact CB-CD2 4.4Å; M495-Y511 HydrophobicContact CB-CG 4.3Å; M495-Y511 HydrophobicContact CG-CD1 3.33Å; M495-Y511 HydrophobicContact CG-CD2 3.71Å; M495-Y511 HydrophobicContact CG-CE1 3.71Å; M495-Y511 HydrophobicContact CG-CE2 4.09Å; M495-Y511 HydrophobicContact CG-CG 3.34Å; M495-Y511 HydrophobicContact SD-CD1 4.01Å; M495-Y511 HydrophobicContact SD-CE1 4.2Å; M495-F553 HydrophobicContact CE-CD2 4.23Å; M495-F553 HydrophobicContact CE-CE2 3.82Å; M495-F553 HydrophobicContact SD-CE2 3.96Å; M495-F553 HydrophobicContact SD-CZ 4.25Å
496	D	91.5	Very high	88.5	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.032	40%	0.399	C	S	.	.			trans	-70.9	90.2	174.3	176.3	8.3	0	0	0	110.2	F492 K499 D500 L501 V503	F492-D496 HydrophobicContact CE1-CB 4.47Å; F492-D496 WeakPolarHBondContact O-CB 3.39Å; F492-D496 PolarHBondContact O-N 2.95Å; D496-K499 WeakPolarHBondContact OD1-CA 3.02Å; D496-K499 PolarHBondContact OD1-N 3.35Å; D496-K499 WeakPolarHBondContact OD2-CA 3.31Å; D496-D500 PolarHBondContact OD1-N 3.01Å; D496-D500 VanDerWaalsContact OD1-N 3.11Å; D496-D500 PolarHBondContact OD2-N 3Å; D496-L501 VanDerWaalsContact OD2-CA 3.24Å; D496-L501 WeakPolarHBondContact OD2-CA 3.23Å; D496-L501 PolarHBondContact OD2-N 3.12Å; D496-V503 HydrophobicContact CB-CG2 4.04Å
497	A	89.4	Confident	89.1	Confident	78 Å²	78	62 Å²	62	65%	0.645	36%	0.361	S	S	*	.	S	Bend	trans	-78.7	-34.1	-167.9	0	0	0	0	0	112	M495 E507	M495-A497 PolarHBondContact O-N 3.05Å; A497-E507 HydrophobicContact CB-CG 4.45Å; A497-E507 WeakPolarHBondContact CB-OE1 3.2Å; A497-E507 PolarHBondContact N-OE1 2.73Å
498	D	91.4	Very high	89.6	Confident	104 Å²	104	59.5 Å²	59.5	56%	0.556	35%	0.346	S	S	*	.	S	Bend	trans	-91.9	-6.2	178.4	76.4	7.8	0	0	0	114.2	D500 E507	D498-D500 VanDerWaalsContact OD1-CB 3.3Å; D498-D500 WeakPolarHBondContact OD1-CB 3.49Å; D498-D500 PolarHBondContact OD1-N 3.33Å; D498-E507 PolarHBondContact N-OE1 2.89Å
499	K	90.8	Very high	90.1	Very high	163 Å²	163	58.7 Å²	58.7	71%	0.709	34%	0.34	S	S	*	.			trans	67.4	35.5	174.1	-54.3	-177.7	178.3	-174.8	0	113	D496	D496-K499 WeakPolarHBondContact OD1-CA 3.02Å; D496-K499 PolarHBondContact OD1-N 3.35Å; D496-K499 WeakPolarHBondContact OD2-CA 3.31Å
500	D	91.8	Very high	90.7	Very high	68 Å²	68	59 Å²	59	36%	0.364	33%	0.328	S	S	.	.	S	Bend	trans	-93.5	5.5	178.9	85.9	-9.5	0	0	0	113.9	D496 D498 Q502	D496-D500 PolarHBondContact OD1-N 3.01Å; D496-D500 VanDerWaalsContact OD1-N 3.11Å; D496-D500 PolarHBondContact OD2-N 3Å; D498-D500 VanDerWaalsContact OD1-CB 3.3Å; D498-D500 WeakPolarHBondContact OD1-CB 3.49Å; D498-D500 PolarHBondContact OD1-N 3.33Å; D500-Q502 PolarHBondContact O-N 2.83Å; D500-Q502 WeakPolarHBondContact OD1-CA 3.35Å; D500-Q502 VanDerWaalsContact OD1-CB 3.29Å; D500-Q502 WeakPolarHBondContact OD1-CB 3.31Å; D500-Q502 PolarHBondContact OD1-N 3.42Å
501	L	90	Very high	91.1	Very high	118 Å²	118	54.2 Å²	54.2	62%	0.618	30%	0.302	S	S	*	.	S	Bend	trans	67.1	18.3	-176.6	-54.2	171.5	0	0	0	114	D496	D496-L501 VanDerWaalsContact OD2-CA 3.24Å; D496-L501 WeakPolarHBondContact OD2-CA 3.23Å; D496-L501 PolarHBondContact OD2-N 3.12Å
502	Q	91.6	Very high	91.4	Very high	61 Å²	61	54 Å²	54	29%	0.285	30%	0.301	S	S	.	.			trans	-132.9	126	177.2	-61.6	163.6	69.2	0	0	109	D500 K547	D500-Q502 PolarHBondContact O-N 2.83Å; D500-Q502 WeakPolarHBondContact OD1-CA 3.35Å; D500-Q502 VanDerWaalsContact OD1-CB 3.29Å; D500-Q502 WeakPolarHBondContact OD1-CB 3.31Å; D500-Q502 PolarHBondContact OD1-N 3.42Å; Q502-K547 HydrophobicContact CB-CB 4.41Å; Q502-K547 HydrophobicContact CB-CD 4.29Å; Q502-K547 HydrophobicContact CG-CD 3.96Å
503	V	92.6	Very high	91.6	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.7	173.2	-178.5	0	0	0	0	108.8	F492 M495 D496 E507 F508 I548	F492-V503 HydrophobicContact CD2-CG2 4.21Å; F492-V503 HydrophobicContact CE2-CG2 3.78Å; F492-V503 HydrophobicContact CZ-CG2 4.03Å; M495-V503 HydrophobicContact CB-CG1 4.21Å; M495-V503 HydrophobicContact CB-CG2 3.96Å; M495-V503 HydrophobicContact CE-CB 4.4Å; M495-V503 HydrophobicContact CE-CG1 3.84Å; M495-V503 HydrophobicContact CE-CG2 4.2Å; D496-V503 HydrophobicContact CB-CG2 4.04Å; V503-E507 HydrophobicContact CG1-CB 4.03Å; V503-F508 HydrophobicContact CG1-CB 3.88Å; V503-F508 HydrophobicContact CG1-CD2 4.43Å; V503-I548 HydrophobicContact CB-CB 4.29Å; V503-I548 PolarHBondContact N-O 2.85Å; V503-I548 PolarHBondContact O-N 2.9Å
504	L	93.8	Very high	91.8	Very high	73 Å²	73	55.9 Å²	55.9	38%	0.382	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	160	172.8	-64.8	178.2	0	0	0	111.5	S506 E507 F508 K547	L504-S506 PolarHBondContact O-N 2.02Å; L504-S506 VanDerWaalsContact O-N 3.11Å; L504-E507 PolarHBondContact N-OE2 3.38Å; L504-E507 PolarHBondContact O-N 3.29Å; L504-F508 PolarHBondContact O-N 3.06Å; L504-K547 HydrophobicContact CD2-CB 4.16Å
505	A	91.6	Very high	92	Very high	43 Å²	43	52.3 Å²	52.3	36%	0.355	28%	0.284	S	S	.	.	H	α-helix	trans	-54.7	-33.5	178.5	0	0	0	0	0	113.2	S509 F537	A505-S509 VanDerWaalsContact O-CB 3.25Å; A505-S509 WeakPolarHBondContact O-CB 3.34Å; A505-S509 PolarHBondContact O-N 3.27Å; A505-S509 PolarHBondContact O-OG 3.26Å; A505-F537 VanDerWaalsContact CA-CE2 3.49Å; A505-F537 HydrophobicContact CB-CD1 4.13Å; A505-F537 HydrophobicContact CB-CD2 4.16Å; A505-F537 HydrophobicContact CB-CE1 4.02Å; A505-F537 HydrophobicContact CB-CE2 4.04Å; A505-F537 HydrophobicContact CB-CG 4.2Å; A505-F537 HydrophobicContact CB-CZ 3.98Å; A505-F537 VanDerWaalsContact N-CE2 3.34Å
506	S	91.9	Very high	92	Very high	69 Å²	69	54.3 Å²	54.3	48%	0.483	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-45.2	175	49.1	0	0	0	0	112.4	L504 S509 D510	L504-S506 PolarHBondContact O-N 2.02Å; L504-S506 VanDerWaalsContact O-N 3.11Å; S506-S509 PolarHBondContact O-N 2.94Å; S506-D510 WeakPolarHBondContact O-CB 3.45Å; S506-D510 VanDerWaalsContact O-CG 3.25Å; S506-D510 PolarHBondContact O-N 2.8Å
507	E	93	Very high	92	Very high	21 Å²	21	60.7 Å²	60.7	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-67.9	-42.9	-179.9	-65.5	178.2	113.5	0	0	111.3	A497 D498 V503 L504 S509 D510 Y511	A497-E507 HydrophobicContact CB-CG 4.45Å; A497-E507 WeakPolarHBondContact CB-OE1 3.2Å; A497-E507 PolarHBondContact N-OE1 2.73Å; D498-E507 PolarHBondContact N-OE1 2.89Å; V503-E507 HydrophobicContact CG1-CB 4.03Å; L504-E507 PolarHBondContact N-OE2 3.38Å; L504-E507 PolarHBondContact O-N 3.29Å; E507-S509 VanDerWaalsContact C-N 3.33Å; E507-S509 PolarHBondContact O-N 3.47Å; E507-D510 PolarHBondContact O-N 2.86Å; E507-Y511 VanDerWaalsContact O-CB 3.23Å; E507-Y511 WeakPolarHBondContact O-CB 3.42Å; E507-Y511 PolarHBondContact O-N 2.83Å
508	F	93.1	Very high	92.1	Very high	5 Å²	5	61.4 Å²	61.4	2%	0.022	32%	0.32	C	S	.	.	H	α-helix	trans	-56.9	-48.4	172.5	-170.7	-87	0	0	0	111	M495 V503 L504 Y511 I512 I533 M536 F537 I548	M495-F508 HydrophobicContact CE-CD2 3.34Å; M495-F508 HydrophobicContact CE-CE2 3.7Å; M495-F508 HydrophobicContact CE-CG 4.41Å; M495-F508 HydrophobicContact SD-CD2 4.47Å; V503-F508 HydrophobicContact CG1-CB 3.88Å; V503-F508 HydrophobicContact CG1-CD2 4.43Å; L504-F508 PolarHBondContact O-N 3.06Å; F508-Y511 PolarHBondContact O-N 2.82Å; F508-I512 HydrophobicContact CD1-CG1 4.06Å; F508-I512 HydrophobicContact CE1-CG1 3.74Å; F508-I512 HydrophobicContact CZ-CD1 4.39Å; F508-I512 HydrophobicContact CZ-CG1 4.08Å; F508-I512 VanDerWaalsContact O-CG1 3.31Å; F508-I512 WeakPolarHBondContact O-CG1 3.39Å; F508-I512 PolarHBondContact O-N 2.87Å; F508-I533 HydrophobicContact CD1-CG2 3.86Å; F508-I533 HydrophobicContact CE1-CG2 4.16Å; F508-M536 HydrophobicContact CE1-CB 3.77Å; F508-M536 HydrophobicContact CE1-CE 4.22Å; F508-M536 HydrophobicContact CZ-CB 3.92Å; F508-M536 HydrophobicContact CZ-CE 4.12Å; F508-F537 HydrophobicContact CB-CD2 3.72Å; F508-F537 HydrophobicContact CB-CE2 4.36Å; F508-F537 HydrophobicContact CD1-CB 3.97Å; F508-F537 HydrophobicContact CD1-CD2 4.31Å; F508-F537 HydrophobicContact CD2-CD2 4.22Å; F508-F537 HydrophobicContact CE1-CB 4.25Å; F508-F537 HydrophobicContact CG-CB 4.34Å; F508-F537 AromaticContact CG-CD2 3.84Å; F508-F537 HydrophobicContact CG-CD2 3.84Å; F508-I548 HydrophobicContact CD2-CD1 3.69Å; F508-I548 HydrophobicContact CE2-CD1 4.04Å; F508-I548 HydrophobicContact CG-CD1 4.45Å
509	S	93.1	Very high	91.9	Very high	22 Å²	22	58.5 Å²	58.5	15%	0.154	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-47.4	-179.2	-60.3	0	0	0	0	112.6	A505 S506 E507 Y511 I512 L513 I533	A505-S509 VanDerWaalsContact O-CB 3.25Å; A505-S509 WeakPolarHBondContact O-CB 3.34Å; A505-S509 PolarHBondContact O-N 3.27Å; A505-S509 PolarHBondContact O-OG 3.26Å; S506-S509 PolarHBondContact O-N 2.94Å; E507-S509 VanDerWaalsContact C-N 3.33Å; E507-S509 PolarHBondContact O-N 3.47Å; S509-Y511 VanDerWaalsContact C-N 3.3Å; S509-Y511 PolarHBondContact O-N 2.83Å; S509-I512 PolarHBondContact O-N 2.5Å; S509-L513 WeakPolarHBondContact O-CB 3.2Å; S509-L513 VanDerWaalsContact O-CG 3.3Å; S509-L513 WeakPolarHBondContact O-CG 3.22Å; S509-L513 PolarHBondContact O-N 3.33Å; S509-I533 VanDerWaalsContact OG-CG2 3.26Å; S509-I533 WeakPolarHBondContact OG-CG2 3.46Å
510	D	93.3	Very high	91.8	Very high	110 Å²	110	54 Å²	54	59%	0.588	30%	0.295	S	S	*	.	H	α-helix	trans	-62.5	-40.1	179.1	-74.3	-16.4	0	0	0	111	S506 E507 R514	S506-D510 WeakPolarHBondContact O-CB 3.45Å; S506-D510 VanDerWaalsContact O-CG 3.25Å; S506-D510 PolarHBondContact O-N 2.8Å; E507-D510 PolarHBondContact O-N 2.86Å; D510-R514 WeakPolarHBondContact O-CB 2.92Å; D510-R514 PolarHBondContact O-N 3.24Å
511	Y	93.1	Very high	91.7	Very high	7 Å²	7	51 Å²	51	3%	0.027	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-53.4	175.9	-175.8	-89.4	0	0	0	111.7	W483 L491 E494 M495 E507 F508 S509 L513 R514 Q515	W483-Y511 AromaticContact CH2-CE1 3.82Å; W483-Y511 HydrophobicContact CH2-CE1 3.82Å; L491-Y511 HydrophobicContact CD1-CE1 3.51Å; L491-Y511 WeakPolarHBondContact CD1-OH 3.4Å; E494-Y511 HydrophobicContact CB-CD2 4.48Å; E494-Y511 HydrophobicContact CB-CE2 3.61Å; E494-Y511 WeakPolarHBondContact O-CD2 3.2Å; E494-Y511 PolarHBondContact OE2-OH 2.96Å; M495-Y511 HydrophobicContact CB-CD2 4.4Å; M495-Y511 HydrophobicContact CB-CG 4.3Å; M495-Y511 HydrophobicContact CG-CD1 3.33Å; M495-Y511 HydrophobicContact CG-CD2 3.71Å; M495-Y511 HydrophobicContact CG-CE1 3.71Å; M495-Y511 HydrophobicContact CG-CE2 4.09Å; M495-Y511 HydrophobicContact CG-CG 3.34Å; M495-Y511 HydrophobicContact SD-CD1 4.01Å; M495-Y511 HydrophobicContact SD-CE1 4.2Å; E507-Y511 VanDerWaalsContact O-CB 3.23Å; E507-Y511 WeakPolarHBondContact O-CB 3.42Å; E507-Y511 PolarHBondContact O-N 2.83Å; F508-Y511 PolarHBondContact O-N 2.82Å; S509-Y511 VanDerWaalsContact C-N 3.3Å; S509-Y511 PolarHBondContact O-N 2.83Å; Y511-L513 PolarHBondContact O-N 2.86Å; Y511-R514 VanDerWaalsContact CE2-NH2 3.33Å; Y511-R514 WeakPolarHBondContact O-CB 3.22Å; Y511-R514 PolarHBondContact O-N 3.48Å; Y511-R514 VanDerWaalsContact O-N 3.14Å; Y511-Q515 HydrophobicContact CD1-CG 4.01Å; Y511-Q515 HydrophobicContact CE1-CG 3.61Å; Y511-Q515 WeakPolarHBondContact O-CG 3.26Å; Y511-Q515 PolarHBondContact O-N 3.41Å; Y511-Q515 PolarHBondContact OH-NE2 3.04Å
512	I	92.2	Very high	91.7	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-44.5	-178.3	-64.4	-63.2	0	0	0	111.2	F481 F508 S509 R514 Q515 V516 L523 I533 M536	F481-I512 HydrophobicContact CD2-CG2 4.08Å; F481-I512 HydrophobicContact CE2-CG2 4.06Å; F508-I512 HydrophobicContact CD1-CG1 4.06Å; F508-I512 HydrophobicContact CE1-CG1 3.74Å; F508-I512 HydrophobicContact CZ-CD1 4.39Å; F508-I512 HydrophobicContact CZ-CG1 4.08Å; F508-I512 VanDerWaalsContact O-CG1 3.31Å; F508-I512 WeakPolarHBondContact O-CG1 3.39Å; F508-I512 PolarHBondContact O-N 2.87Å; S509-I512 PolarHBondContact O-N 2.5Å; I512-R514 VanDerWaalsContact C-N 3.27Å; I512-R514 PolarHBondContact O-N 3.04Å; I512-Q515 PolarHBondContact O-N 3.42Å; I512-Q515 VanDerWaalsContact O-N 3.16Å; I512-V516 WeakPolarHBondContact O-CG2 3.11Å; I512-V516 PolarHBondContact O-N 2.9Å; I512-L523 HydrophobicContact CG2-CD2 4.16Å; I512-I533 HydrophobicContact CB-CD1 4.31Å; I512-I533 HydrophobicContact CB-CG1 4.3Å; I512-I533 HydrophobicContact CG2-CD1 4.02Å; I512-I533 HydrophobicContact CG2-CG1 3.84Å; I512-M536 HydrophobicContact CD1-CE 3.95Å; I512-M536 HydrophobicContact CG1-CE 4.18Å; I512-M536 HydrophobicContact CG2-CE 4.31Å
513	L	92.2	Very high	91.6	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-61	-37.4	175.8	-72.9	172.2	0	0	0	112	S509 Y511 V516 N517 Y530 I533	S509-L513 WeakPolarHBondContact O-CB 3.2Å; S509-L513 VanDerWaalsContact O-CG 3.3Å; S509-L513 WeakPolarHBondContact O-CG 3.22Å; S509-L513 PolarHBondContact O-N 3.33Å; Y511-L513 PolarHBondContact O-N 2.86Å; L513-V516 PolarHBondContact O-N 2.97Å; L513-N517 WeakPolarHBondContact O-CB 3.1Å; L513-N517 PolarHBondContact O-N 2.96Å; L513-N517 PolarHBondContact O-ND2 3.23Å; L513-N517 VanDerWaalsContact O-ND2 3.16Å; L513-Y530 HydrophobicContact CD1-CD1 4.47Å; L513-Y530 HydrophobicContact CD1-CE1 3.68Å; L513-I533 HydrophobicContact CD1-CD1 4.38Å; L513-I533 HydrophobicContact CD2-CD1 3.66Å; L513-I533 HydrophobicContact CG-CD1 3.62Å
514	R	92.3	Very high	91.4	Very high	101 Å²	101	46.6 Å²	46.6	38%	0.381	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-44.5	174	-179.6	169.2	61.4	98.8	-5.3	111.7	D510 Y511 I512 V516 N517 E518	D510-R514 WeakPolarHBondContact O-CB 2.92Å; D510-R514 PolarHBondContact O-N 3.24Å; Y511-R514 VanDerWaalsContact CE2-NH2 3.33Å; Y511-R514 WeakPolarHBondContact O-CB 3.22Å; Y511-R514 PolarHBondContact O-N 3.48Å; Y511-R514 VanDerWaalsContact O-N 3.14Å; I512-R514 VanDerWaalsContact C-N 3.27Å; I512-R514 PolarHBondContact O-N 3.04Å; R514-V516 VanDerWaalsContact C-N 3.3Å; R514-V516 PolarHBondContact O-N 3.25Å; R514-N517 PolarHBondContact O-N 2.64Å; R514-E518 HydrophobicContact CG-CG 4.32Å; R514-E518 WeakPolarHBondContact CG-OE1 3.31Å; R514-E518 IonicContact NH1-OE1 3.37Å; R514-E518 WeakPolarHBondContact O-CB 3.47Å; R514-E518 WeakPolarHBondContact O-CG 3.46Å; R514-E518 PolarHBondContact O-N 3.32Å
515	Q	93	Very high	91.1	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-38.7	176.6	-60.1	-52.6	-37.5	0	0	112.4	F481 W483 Y511 I512 G519 K520 G521	F481-Q515 HydrophobicContact CZ-CB 4.25Å; W483-Q515 HydrophobicContact CH2-CG 3.8Å; W483-Q515 HydrophobicContact CZ3-CB 4.09Å; W483-Q515 HydrophobicContact CZ3-CG 3.66Å; Y511-Q515 HydrophobicContact CD1-CG 4.01Å; Y511-Q515 HydrophobicContact CE1-CG 3.61Å; Y511-Q515 WeakPolarHBondContact O-CG 3.26Å; Y511-Q515 PolarHBondContact O-N 3.41Å; Y511-Q515 PolarHBondContact OH-NE2 3.04Å; I512-Q515 PolarHBondContact O-N 3.42Å; I512-Q515 VanDerWaalsContact O-N 3.16Å; Q515-G519 PolarHBondContact O-N 3.45Å; Q515-K520 PolarHBondContact O-N 3.42Å; Q515-G521 PolarHBondContact O-N 3.33Å; Q515-G521 VanDerWaalsContact O-N 3.11Å
516	V	91	Very high	90.7	Very high	45 Å²	45	43.4 Å²	43.4	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-66.4	-46.9	175.2	176.9	0	0	0	0	111.2	F481 I512 L513 R514 E518 G519 G521 L523	F481-V516 HydrophobicContact CD2-CG2 4.38Å; F481-V516 HydrophobicContact CE2-CG2 3.87Å; I512-V516 WeakPolarHBondContact O-CG2 3.11Å; I512-V516 PolarHBondContact O-N 2.9Å; L513-V516 PolarHBondContact O-N 2.97Å; R514-V516 VanDerWaalsContact C-N 3.3Å; R514-V516 PolarHBondContact O-N 3.25Å; V516-E518 VanDerWaalsContact C-N 3.3Å; V516-E518 PolarHBondContact O-N 2.91Å; V516-G519 PolarHBondContact O-N 3.39Å; V516-G521 WeakPolarHBondContact CA-O 3.18Å; V516-L523 HydrophobicContact CG2-CD1 3.93Å; V516-L523 HydrophobicContact CG2-CG 3.82Å
517	N	90.6	Very high	90.3	Very high	140 Å²	140	45 Å²	45	75%	0.749	24%	0.242	S	C	*	.	H	α-helix	trans	-65.7	-32	179.9	-74.1	-30.3	0	0	0	112.9	L513 R514 G519	L513-N517 WeakPolarHBondContact O-CB 3.1Å; L513-N517 PolarHBondContact O-N 2.96Å; L513-N517 PolarHBondContact O-ND2 3.23Å; L513-N517 VanDerWaalsContact O-ND2 3.16Å; R514-N517 PolarHBondContact O-N 2.64Å; N517-G519 VanDerWaalsContact C-N 3.25Å
518	E	91.1	Very high	90	Very high	94 Å²	94	48.2 Å²	48.2	44%	0.439	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.9	174.5	-70.1	178.4	-166.4	0	0	112.9	R514 V516 K520	R514-E518 HydrophobicContact CG-CG 4.32Å; R514-E518 WeakPolarHBondContact CG-OE1 3.31Å; R514-E518 IonicContact NH1-OE1 3.37Å; R514-E518 WeakPolarHBondContact O-CB 3.47Å; R514-E518 WeakPolarHBondContact O-CG 3.46Å; R514-E518 PolarHBondContact O-N 3.32Å; V516-E518 VanDerWaalsContact C-N 3.3Å; V516-E518 PolarHBondContact O-N 2.91Å; E518-K520 HydrophobicContact CB-CD 4.19Å; E518-K520 HydrophobicContact CB-CG 4.19Å; E518-K520 PolarHBondContact O-N 2.8Å; E518-K520 WeakPolarHBondContact OE2-CE 3.47Å; E518-K520 IonicContact OE2-NZ 2.68Å; E518-K520 PolarHBondContact OE2-NZ 2.87Å
519	G	87.8	Confident	89.8	Confident	42 Å²	42	49.6 Å²	49.6	43%	0.433	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	6.5	-178.3	0	0	0	0	0	114.6	N484 Q515 V516 N517 G521	N484-G519 PolarHBondContact ND2-O 2.87Å; Q515-G519 PolarHBondContact O-N 3.45Å; V516-G519 PolarHBondContact O-N 3.39Å; N517-G519 VanDerWaalsContact C-N 3.25Å; G519-G521 VanDerWaalsContact C-N 3.35Å
520	K	88.9	Confident	89.6	Confident	70 Å²	70	55.8 Å²	55.8	30%	0.304	29%	0.293	S	S	.	.	S	Bend	trans	-79.6	-17.7	-179.8	-67.6	176.8	176.2	165.2	0	113.4	N484 Q515 E518	N484-K520 PolarHBondContact N-O 3.22Å; Q515-K520 PolarHBondContact O-N 3.42Å; E518-K520 HydrophobicContact CB-CD 4.19Å; E518-K520 HydrophobicContact CB-CG 4.19Å; E518-K520 PolarHBondContact O-N 2.8Å; E518-K520 WeakPolarHBondContact OE2-CE 3.47Å; E518-K520 IonicContact OE2-NZ 2.68Å; E518-K520 PolarHBondContact OE2-NZ 2.87Å
521	G	89.2	Confident	89.4	Confident	3 Å²	3	59 Å²	59	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	169.8	174.2	0	0	0	0	0	112.4	I482 Q515 V516 G519	I482-G521 CarbonylContact O-C 3.59Å; I482-G521 WeakPolarHBondContact O-CA 3.37Å; Q515-G521 PolarHBondContact O-N 3.33Å; Q515-G521 VanDerWaalsContact O-N 3.11Å; V516-G521 WeakPolarHBondContact CA-O 3.18Å; G519-G521 VanDerWaalsContact C-N 3.35Å
522	R	90.6	Very high	89.2	Confident	52 Å²	52	59.1 Å²	59.1	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	130.1	-178.4	-164.7	170.5	72.6	105.9	-3.3	110.8	E472 A473 G474 F481 I482	E472-R522 IonicContact OE1-NH1 3.54Å; E472-R522 PolarHBondContact OE1-NH1 3.03Å; E472-R522 VanDerWaalsContact OE1-NH1 3.08Å; A473-R522 PolarHBondContact O-NH1 3.34Å; A473-R522 PolarHBondContact O-NH2 3.05Å; G474-R522 PolarHBondContact O-NH2 3.12Å; F481-R522 CarbonylContact C-O 3.6Å; F481-R522 VanDerWaalsContact CA-O 3.32Å; F481-R522 WeakPolarHBondContact CA-O 3.28Å; I482-R522 HydrophobicContact CG1-CB 4.18Å; I482-R522 PolarHBondContact N-O 3.36Å; I482-R522 PolarHBondContact O-N 3.19Å
523	L	90.3	Very high	89.1	Confident	18 Å²	18	58.9 Å²	58.9	9%	0.094	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	159.2	172.8	-70.5	166.3	0	0	0	110.8	F481 I512 V516 P525 A529 I532 I533 M536	F481-L523 HydrophobicContact CB-CD2 4.09Å; F481-L523 HydrophobicContact CD2-CD2 3.77Å; F481-L523 HydrophobicContact CD2-CG 4.09Å; F481-L523 HydrophobicContact CG-CD2 4.4Å; I512-L523 HydrophobicContact CG2-CD2 4.16Å; V516-L523 HydrophobicContact CG2-CD1 3.93Å; V516-L523 HydrophobicContact CG2-CG 3.82Å; L523-P525 WeakPolarHBondContact O-CD 3.35Å; L523-A529 HydrophobicContact CD1-CB 3.87Å; L523-I532 HydrophobicContact CB-CD1 4.27Å; L523-I532 HydrophobicContact CD2-CB 4.35Å; L523-I532 HydrophobicContact CD2-CG2 3.69Å; L523-I533 HydrophobicContact CD1-CD1 4.2Å; L523-I533 HydrophobicContact CD1-CG1 4.3Å; L523-I533 HydrophobicContact CD2-CG1 4.29Å; L523-M536 HydrophobicContact CD2-SD 3.94Å
524	A	86.9	Confident	89	Confident	17 Å²	17	63 Å²	63	14%	0.14	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-58.2	119	173.6	0	0	0	0	0	110.3	L475 M480 F527 I532	L475-A524 HydrophobicContact CD1-CB 3.95Å; L475-A524 HydrophobicContact CG-CB 4.31Å; M480-A524 PolarHBondContact O-N 3.38Å; A524-F527 HydrophobicContact CB-CD2 3.97Å; A524-F527 HydrophobicContact CB-CE2 4.4Å; A524-I532 HydrophobicContact CB-CD1 4.34Å; A524-I532 WeakPolarHBondContact O-CD1 3.31Å
525	P	87.6	Confident	88.8	Confident	12 Å²	12	62.3 Å²	62.3	8%	0.078	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	153.3	-176.8	29.4	-35	0	0	0	111.4	F386 V414 E472 L523 F527	F386-P525 HydrophobicContact CB-CB 3.6Å; F386-P525 HydrophobicContact CB-CG 3.65Å; F386-P525 HydrophobicContact CD1-CB 4.14Å; F386-P525 HydrophobicContact CG-CB 4.08Å; V414-P525 WeakPolarHBondContact CG2-O 3.27Å; E472-P525 HydrophobicContact CB-CB 4.43Å; E472-P525 VanDerWaalsContact CD-CB 3.48Å; E472-P525 HydrophobicContact CG-CB 4.23Å; E472-P525 HydrophobicContact CG-CG 4.33Å; E472-P525 WeakPolarHBondContact OE2-CB 3.2Å; L523-P525 WeakPolarHBondContact O-CD 3.35Å; P525-F527 VanDerWaalsContact C-N 3.33Å; P525-F527 WeakPolarHBondContact O-CD2 3.44Å; P525-F527 PolarHBondContact O-N 2.95Å
526	G	83.6	Confident	88.7	Confident	38 Å²	38	63.1 Å²	63.1	39%	0.392	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-1	178.7	0	0	0	0	0	116.4
527	F	84.4	Confident	88.7	Confident	103 Å²	103	61.6 Å²	61.6	45%	0.452	31%	0.313	S	S	.	.	S	Bend	trans	-111.9	159.9	175.1	-61.5	-82.8	0	0	0	111.3	V414 A524 P525 A529 I532	V414-F527 HydrophobicContact CB-CE2 4.32Å; V414-F527 HydrophobicContact CB-CZ 4.33Å; V414-F527 HydrophobicContact CG1-CE2 4.26Å; V414-F527 HydrophobicContact CG1-CZ 4.46Å; V414-F527 HydrophobicContact CG2-CD2 4.29Å; V414-F527 HydrophobicContact CG2-CE2 3.65Å; V414-F527 HydrophobicContact CG2-CZ 3.96Å; A524-F527 HydrophobicContact CB-CD2 3.97Å; A524-F527 HydrophobicContact CB-CE2 4.4Å; P525-F527 VanDerWaalsContact C-N 3.33Å; P525-F527 WeakPolarHBondContact O-CD2 3.44Å; P525-F527 PolarHBondContact O-N 2.95Å; F527-A529 PolarHBondContact O-N 2.74Å; F527-I532 HydrophobicContact CB-CD1 3.5Å; F527-I532 VanDerWaalsContact CB-CD1 3.5Å; F527-I532 HydrophobicContact CB-CG1 3.81Å
528	D	86.9	Confident	88.6	Confident	88 Å²	88	58 Å²	58	47%	0.471	30%	0.299	S	S	.	.			trans	-67.8	119.6	174.3	-179.1	-83.7	0	0	0	110	Y530 R531 I532	D528-Y530 VanDerWaalsContact C-N 3.29Å; D528-Y530 PolarHBondContact O-N 2.95Å; D528-Y530 WeakPolarHBondContact OD1-CA 3.26Å; D528-Y530 WeakPolarHBondContact OD1-CB 3.48Å; D528-Y530 PolarHBondContact OD1-N 2.85Å; D528-R531 HydrophobicContact CB-CB 4.13Å; D528-R531 HydrophobicContact CB-CG 4.13Å; D528-R531 PolarHBondContact O-N 2.71Å; D528-R531 PolarHBondContact OD1-N 2.9Å; D528-I532 WeakPolarHBondContact O-CG1 3.32Å; D528-I532 PolarHBondContact O-N 3.05Å
529	A	87.6	Confident	88.5	Confident	33 Å²	33	58.3 Å²	58.3	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-58.6	-39.6	-174.7	0	0	0	0	0	112.5	L523 F527 I532 I533	L523-A529 HydrophobicContact CD1-CB 3.87Å; F527-A529 PolarHBondContact O-N 2.74Å; A529-I532 PolarHBondContact O-N 3.44Å; A529-I533 WeakPolarHBondContact O-CB 3.41Å; A529-I533 WeakPolarHBondContact O-CD1 3.48Å; A529-I533 WeakPolarHBondContact O-CG1 3.37Å; A529-I533 PolarHBondContact O-N 2.82Å
530	Y	89.2	Confident	88.5	Confident	153 Å²	153	57.9 Å²	57.9	60%	0.6	29%	0.29	S	S	*	.	H	α-helix	trans	-68.7	-40.5	-179.9	-69.9	-77.6	0	0	0	111.7	L513 D528 I532 I533 E534	L513-Y530 HydrophobicContact CD1-CD1 4.47Å; L513-Y530 HydrophobicContact CD1-CE1 3.68Å; D528-Y530 VanDerWaalsContact C-N 3.29Å; D528-Y530 PolarHBondContact O-N 2.95Å; D528-Y530 WeakPolarHBondContact OD1-CA 3.26Å; D528-Y530 WeakPolarHBondContact OD1-CB 3.48Å; D528-Y530 PolarHBondContact OD1-N 2.85Å; Y530-I532 VanDerWaalsContact C-N 3.34Å; Y530-I532 PolarHBondContact O-N 3.42Å; Y530-I533 PolarHBondContact O-N 3.17Å; Y530-E534 VanDerWaalsContact O-CB 3.32Å; Y530-E534 WeakPolarHBondContact O-CB 3.44Å; Y530-E534 PolarHBondContact O-N 2.8Å
531	R	88.3	Confident	88.5	Confident	176 Å²	176	55.4 Å²	55.4	66%	0.664	28%	0.28	S	S	*	.	H	α-helix	trans	-64.1	-38.4	174.3	-72.1	-173.4	174	-173.7	-1.9	112.8	D528 I533 E534 N535	D528-R531 HydrophobicContact CB-CB 4.13Å; D528-R531 HydrophobicContact CB-CG 4.13Å; D528-R531 PolarHBondContact O-N 2.71Å; D528-R531 PolarHBondContact OD1-N 2.9Å; R531-I533 VanDerWaalsContact C-N 3.34Å; R531-E534 PolarHBondContact O-N 3.23Å; R531-N535 WeakPolarHBondContact O-CB 3.38Å; R531-N535 VanDerWaalsContact O-CG 3.27Å; R531-N535 PolarHBondContact O-N 2.87Å; R531-N535 PolarHBondContact O-ND2 3.21Å
532	I	88.9	Confident	88.4	Confident	11 Å²	11	61.1 Å²	61.1	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-48.3	175.5	-63.8	164.9	0	0	0	109.7	M480 L523 A524 F527 D528 A529 Y530 E534 N535 M536	M480-I532 HydrophobicContact CB-CG2 3.76Å; M480-I532 HydrophobicContact CG-CG2 4.33Å; M480-I532 HydrophobicContact SD-CG2 4.36Å; L523-I532 HydrophobicContact CB-CD1 4.27Å; L523-I532 HydrophobicContact CD2-CB 4.35Å; L523-I532 HydrophobicContact CD2-CG2 3.69Å; A524-I532 HydrophobicContact CB-CD1 4.34Å; A524-I532 WeakPolarHBondContact O-CD1 3.31Å; F527-I532 HydrophobicContact CB-CD1 3.5Å; F527-I532 VanDerWaalsContact CB-CD1 3.5Å; F527-I532 HydrophobicContact CB-CG1 3.81Å; D528-I532 WeakPolarHBondContact O-CG1 3.32Å; D528-I532 PolarHBondContact O-N 3.05Å; A529-I532 PolarHBondContact O-N 3.44Å; Y530-I532 VanDerWaalsContact C-N 3.34Å; Y530-I532 PolarHBondContact O-N 3.42Å; I532-E534 PolarHBondContact O-N 2.61Å; I532-N535 PolarHBondContact O-N 2.79Å; I532-M536 HydrophobicContact CG2-CG 4.38Å; I532-M536 HydrophobicContact CG2-SD 3.88Å; I532-M536 VanDerWaalsContact O-CG 3.25Å; I532-M536 WeakPolarHBondContact O-CG 3.49Å; I532-M536 PolarHBondContact O-N 2.68Å
533	I	91.6	Very high	88.3	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-41.3	-179.9	-69.6	169.4	0	0	0	111.3	F508 S509 I512 L513 L523 A529 Y530 R531 M536 F537	F508-I533 HydrophobicContact CD1-CG2 3.86Å; F508-I533 HydrophobicContact CE1-CG2 4.16Å; S509-I533 VanDerWaalsContact OG-CG2 3.26Å; S509-I533 WeakPolarHBondContact OG-CG2 3.46Å; I512-I533 HydrophobicContact CB-CD1 4.31Å; I512-I533 HydrophobicContact CB-CG1 4.3Å; I512-I533 HydrophobicContact CG2-CD1 4.02Å; I512-I533 HydrophobicContact CG2-CG1 3.84Å; L513-I533 HydrophobicContact CD1-CD1 4.38Å; L513-I533 HydrophobicContact CD2-CD1 3.66Å; L513-I533 HydrophobicContact CG-CD1 3.62Å; L523-I533 HydrophobicContact CD1-CD1 4.2Å; L523-I533 HydrophobicContact CD1-CG1 4.3Å; L523-I533 HydrophobicContact CD2-CG1 4.29Å; A529-I533 WeakPolarHBondContact O-CB 3.41Å; A529-I533 WeakPolarHBondContact O-CD1 3.48Å; A529-I533 WeakPolarHBondContact O-CG1 3.37Å; A529-I533 PolarHBondContact O-N 2.82Å; Y530-I533 PolarHBondContact O-N 3.17Å; R531-I533 VanDerWaalsContact C-N 3.34Å; I533-M536 WeakPolarHBondContact O-CB 3.46Å; I533-M536 PolarHBondContact O-N 3.02Å; I533-F537 WeakPolarHBondContact O-CB 3.31Å; I533-F537 PolarHBondContact O-N 3.25Å
534	E	89.6	Confident	88.3	Confident	120 Å²	120	65 Å²	65	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-60.1	-47.4	174.8	-176.2	179.5	-161.2	0	0	110.9	Y530 R531 I532 M536 F537 S538	Y530-E534 VanDerWaalsContact O-CB 3.32Å; Y530-E534 WeakPolarHBondContact O-CB 3.44Å; Y530-E534 PolarHBondContact O-N 2.8Å; R531-E534 PolarHBondContact O-N 3.23Å; I532-E534 PolarHBondContact O-N 2.61Å; E534-M536 VanDerWaalsContact C-N 3.32Å; E534-M536 PolarHBondContact O-N 2.81Å; E534-F537 WeakPolarHBondContact O-CB 3.42Å; E534-F537 PolarHBondContact O-N 3.21Å; E534-S538 PolarHBondContact O-N 2.98Å; E534-S538 PolarHBondContact O-OG 2.87Å
535	N	88.8	Confident	88.5	Confident	87 Å²	87	68 Å²	68	47%	0.465	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-39.7	175	-72	-22.4	0	0	0	112.2	M480 R531 I532 F537 N539	M480-N535 HydrophobicContact CE-CB 4.2Å; M480-N535 HydrophobicContact SD-CB 3.95Å; R531-N535 WeakPolarHBondContact O-CB 3.38Å; R531-N535 VanDerWaalsContact O-CG 3.27Å; R531-N535 PolarHBondContact O-N 2.87Å; R531-N535 PolarHBondContact O-ND2 3.21Å; I532-N535 PolarHBondContact O-N 2.79Å; N535-F537 VanDerWaalsContact C-N 3.34Å; N535-N539 WeakPolarHBondContact O-CB 3.34Å; N535-N539 PolarHBondContact O-N 3.32Å; N535-N539 PolarHBondContact O-ND2 2.8Å
536	M	90.1	Very high	88.6	Confident	23 Å²	23	69.1 Å²	69.1	11%	0.113	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-43.6	174.4	-72.2	168	58.6	0	0	111.3	M480 F481 F508 I512 L523 I532 I533 E534 N539 Q540	M480-M536 HydrophobicContact CB-CG 4.03Å; M480-M536 HydrophobicContact CB-SD 4.28Å; M480-M536 HydrophobicContact CE-CG 3.83Å; M480-M536 HydrophobicContact SD-CG 4.41Å; F481-M536 HydrophobicContact CB-CE 3.55Å; F481-M536 HydrophobicContact CB-SD 3.73Å; F481-M536 HydrophobicContact CD1-CE 4.39Å; F481-M536 HydrophobicContact CG-CE 3.96Å; F508-M536 HydrophobicContact CE1-CB 3.77Å; F508-M536 HydrophobicContact CE1-CE 4.22Å; F508-M536 HydrophobicContact CZ-CB 3.92Å; F508-M536 HydrophobicContact CZ-CE 4.12Å; I512-M536 HydrophobicContact CD1-CE 3.95Å; I512-M536 HydrophobicContact CG1-CE 4.18Å; I512-M536 HydrophobicContact CG2-CE 4.31Å; L523-M536 HydrophobicContact CD2-SD 3.94Å; I532-M536 HydrophobicContact CG2-CG 4.38Å; I532-M536 HydrophobicContact CG2-SD 3.88Å; I532-M536 VanDerWaalsContact O-CG 3.25Å; I532-M536 WeakPolarHBondContact O-CG 3.49Å; I532-M536 PolarHBondContact O-N 2.68Å; I533-M536 WeakPolarHBondContact O-CB 3.46Å; I533-M536 PolarHBondContact O-N 3.02Å; E534-M536 VanDerWaalsContact C-N 3.32Å; E534-M536 PolarHBondContact O-N 2.81Å; M536-N539 PolarHBondContact O-N 2.78Å; M536-Q540 WeakPolarHBondContact O-CG 3.32Å; M536-Q540 PolarHBondContact O-N 2.81Å
537	F	91.4	Very high	89	Confident	13 Å²	13	70.1 Å²	70.1	6%	0.057	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-51.4	176.4	178.6	-90.5	0	0	0	111.2	A505 F508 I533 E534 N535 N539 Q540 D541 G546 I548	A505-F537 VanDerWaalsContact CA-CE2 3.49Å; A505-F537 HydrophobicContact CB-CD1 4.13Å; A505-F537 HydrophobicContact CB-CD2 4.16Å; A505-F537 HydrophobicContact CB-CE1 4.02Å; A505-F537 HydrophobicContact CB-CE2 4.04Å; A505-F537 HydrophobicContact CB-CG 4.2Å; A505-F537 HydrophobicContact CB-CZ 3.98Å; A505-F537 VanDerWaalsContact N-CE2 3.34Å; F508-F537 HydrophobicContact CB-CD2 3.72Å; F508-F537 HydrophobicContact CB-CE2 4.36Å; F508-F537 HydrophobicContact CD1-CB 3.97Å; F508-F537 HydrophobicContact CD1-CD2 4.31Å; F508-F537 HydrophobicContact CD2-CD2 4.22Å; F508-F537 HydrophobicContact CE1-CB 4.25Å; F508-F537 HydrophobicContact CG-CB 4.34Å; F508-F537 AromaticContact CG-CD2 3.84Å; F508-F537 HydrophobicContact CG-CD2 3.84Å; I533-F537 WeakPolarHBondContact O-CB 3.31Å; I533-F537 PolarHBondContact O-N 3.25Å; E534-F537 WeakPolarHBondContact O-CB 3.42Å; E534-F537 PolarHBondContact O-N 3.21Å; N535-F537 VanDerWaalsContact C-N 3.34Å; F537-N539 PolarHBondContact O-N 2.77Å; F537-Q540 CarbonylContact O-C 3.49Å; F537-Q540 WeakPolarHBondContact O-CA 3.4Å; F537-Q540 PolarHBondContact O-N 3.29Å; F537-D541 HydrophobicContact CD1-CB 4.49Å; F537-D541 HydrophobicContact CE1-CB 4.1Å; F537-D541 PolarHBondContact O-N 3.41Å; F537-G546 WeakPolarHBondContact CZ-O 3.38Å; F537-I548 HydrophobicContact CD2-CD1 3.34Å; F537-I548 HydrophobicContact CD2-CG1 4.03Å; F537-I548 HydrophobicContact CE2-CD1 3.48Å; F537-I548 VanDerWaalsContact CE2-CD1 3.48Å; F537-I548 HydrophobicContact CE2-CG1 3.67Å; F537-I548 HydrophobicContact CG-CD1 4.18Å; F537-I548 HydrophobicContact CZ-CD1 4.39Å; F537-I548 HydrophobicContact CZ-CG1 4.18Å
538	S	89.2	Confident	89.3	Confident	66 Å²	66	65.2 Å²	65.2	46%	0.462	34%	0.34	S	S	.	.	H	α-helix	trans	-60.6	-31	179.1	-63.1	0	0	0	0	113.3	E534 Q540	E534-S538 PolarHBondContact O-N 2.98Å; E534-S538 PolarHBondContact O-OG 2.87Å; S538-Q540 VanDerWaalsContact C-N 3.3Å
539	N	87.8	Confident	89.5	Confident	99 Å²	99	62.9 Å²	62.9	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-71.4	-25.9	174.1	-74.1	-16.9	0	0	0	113	M480 N535 M536 F537	M480-N539 WeakPolarHBondContact CE-ND2 2.97Å; N535-N539 WeakPolarHBondContact O-CB 3.34Å; N535-N539 PolarHBondContact O-N 3.32Å; N535-N539 PolarHBondContact O-ND2 2.8Å; M536-N539 PolarHBondContact O-N 2.78Å; F537-N539 PolarHBondContact O-N 2.77Å
540	Q	87.3	Confident	89.5	Confident	33 Å²	33	67.5 Å²	67.5	15%	0.154	35%	0.345	C	S	.	.	H	α-helix	trans	-88.9	-30.7	176.5	-65.1	-66.6	-36.4	0	0	112	M536 F537 S538 R542 I548 K554	M536-Q540 WeakPolarHBondContact O-CG 3.32Å; M536-Q540 PolarHBondContact O-N 2.81Å; F537-Q540 CarbonylContact O-C 3.49Å; F537-Q540 WeakPolarHBondContact O-CA 3.4Å; F537-Q540 PolarHBondContact O-N 3.29Å; S538-Q540 VanDerWaalsContact C-N 3.3Å; Q540-R542 VanDerWaalsContact C-N 3.26Å; Q540-R542 PolarHBondContact O-N 2.88Å; Q540-I548 HydrophobicContact CB-CD1 3.49Å; Q540-I548 VanDerWaalsContact CB-CD1 3.49Å; Q540-I548 HydrophobicContact CB-CG1 3.88Å; Q540-I548 HydrophobicContact CB-CG2 4.28Å; Q540-I548 HydrophobicContact CG-CD1 4.41Å; Q540-K554 PolarHBondContact NE2-O 3.17Å; Q540-K554 PolarHBondContact OE1-O 3.08Å
541	D	90.4	Very high	89.3	Confident	19 Å²	19	67.4 Å²	67.4	10%	0.102	36%	0.355	C	S	.	.			trans	-74.8	74.9	171	179.6	7.3	0	0	0	110.7	F537 N543 G544 D545 G546 I548	F537-D541 HydrophobicContact CD1-CB 4.49Å; F537-D541 HydrophobicContact CE1-CB 4.1Å; F537-D541 PolarHBondContact O-N 3.41Å; D541-N543 VanDerWaalsContact C-N 3.26Å; D541-N543 PolarHBondContact O-N 3.23Å; D541-N543 PolarHBondContact OD1-OD1 3.36Å; D541-G544 PolarHBondContact O-N 2.97Å; D541-G544 VanDerWaalsContact OD1-CA 3.24Å; D541-G544 WeakPolarHBondContact OD1-CA 3.4Å; D541-G544 PolarHBondContact OD1-N 3.5Å; D541-D545 PolarHBondContact OD1-N 2.92Å; D541-D545 VanDerWaalsContact OD1-N 3.16Å; D541-D545 PolarHBondContact OD2-N 2.99Å; D541-G546 VanDerWaalsContact OD2-CA 3.27Å; D541-G546 WeakPolarHBondContact OD2-CA 3.15Å; D541-G546 PolarHBondContact OD2-N 2.81Å; D541-I548 HydrophobicContact CB-CG1 4.42Å
542	R	86.1	Confident	89.1	Confident	122 Å²	122	59.9 Å²	59.9	46%	0.46	33%	0.327	S	S	.	.	S	Bend	trans	-68.1	-25.2	-173.4	-63.8	178.4	-167.5	-115.7	-13	113.4	Q540 E552 E559	Q540-R542 VanDerWaalsContact C-N 3.26Å; Q540-R542 PolarHBondContact O-N 2.88Å; R542-E552 PolarHBondContact NE-O 3.41Å; R542-E552 VanDerWaalsContact NE-O 3.1Å; R542-E559 IonicContact CZ-OE1 3.59Å; R542-E559 IonicContact NH1-OE1 3.97Å; R542-E559 IonicContact NH2-OE1 3.69Å; R542-E559 PolarHBondContact NH2-OE1 3.44Å
543	N	89.4	Confident	88.9	Confident	91 Å²	91	61.2 Å²	61.2	49%	0.487	33%	0.332	S	S	.	.	S	Bend	trans	-96.4	-13.4	-177.4	80.4	26.7	0	0	0	112.3	D541 D545 E552	D541-N543 VanDerWaalsContact C-N 3.26Å; D541-N543 PolarHBondContact O-N 3.23Å; D541-N543 PolarHBondContact OD1-OD1 3.36Å; N543-D545 PolarHBondContact ND2-OD2 2.92Å; N543-D545 WeakPolarHBondContact OD1-CB 3.31Å; N543-D545 PolarHBondContact OD1-N 3Å; N543-D545 PolarHBondContact OD1-OD1 3.32Å; N543-D545 PolarHBondContact OD1-OD2 2.64Å; N543-E552 WeakPolarHBondContact CB-OE1 3.5Å; N543-E552 PolarHBondContact ND2-OE1 2.81Å
544	G	88.9	Confident	88.4	Confident	60 Å²	60	65.5 Å²	65.5	62%	0.619	35%	0.351	S	S	*	.			trans	75.2	23.7	176.3	0	0	0	0	0	114.4	D541	D541-G544 PolarHBondContact O-N 2.97Å; D541-G544 VanDerWaalsContact OD1-CA 3.24Å; D541-G544 WeakPolarHBondContact OD1-CA 3.4Å; D541-G544 PolarHBondContact OD1-N 3.5Å
545	D	90.9	Very high	87.7	Confident	80 Å²	80	62.2 Å²	62.2	43%	0.428	34%	0.337	S	S	.	.	S	Bend	trans	-91	1.8	-177.4	74.8	-1.3	0	0	0	113.6	D541 N543 K547	D541-D545 PolarHBondContact OD1-N 2.92Å; D541-D545 VanDerWaalsContact OD1-N 3.16Å; D541-D545 PolarHBondContact OD2-N 2.99Å; N543-D545 PolarHBondContact ND2-OD2 2.92Å; N543-D545 WeakPolarHBondContact OD1-CB 3.31Å; N543-D545 PolarHBondContact OD1-N 3Å; N543-D545 PolarHBondContact OD1-OD1 3.32Å; N543-D545 PolarHBondContact OD1-OD2 2.64Å; D545-K547 VanDerWaalsContact CG-CE 3.5Å; D545-K547 WeakPolarHBondContact OD1-CG 3.47Å; D545-K547 PolarHBondContact OD1-N 2.97Å; D545-K547 WeakPolarHBondContact OD2-CE 3.25Å; D545-K547 IonicContact OD2-NZ 2.76Å
546	G	90.6	Very high	86.7	Confident	37 Å²	37	61.6 Å²	61.6	38%	0.381	33%	0.33	S	S	.	.	S	Bend	trans	85.9	16.4	173.4	0	0	0	0	0	114.3	F537 D541	F537-G546 WeakPolarHBondContact CZ-O 3.38Å; D541-G546 VanDerWaalsContact OD2-CA 3.27Å; D541-G546 WeakPolarHBondContact OD2-CA 3.15Å; D541-G546 PolarHBondContact OD2-N 2.81Å
547	K	91.8	Very high	85.5	Confident	58 Å²	58	64.7 Å²	64.7	25%	0.252	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.2	177.5	52.3	176.3	177.7	-178.3	0	110.4	Q502 L504 D545	Q502-K547 HydrophobicContact CB-CB 4.41Å; Q502-K547 HydrophobicContact CB-CD 4.29Å; Q502-K547 HydrophobicContact CG-CD 3.96Å; L504-K547 HydrophobicContact CD2-CB 4.16Å; D545-K547 VanDerWaalsContact CG-CE 3.5Å; D545-K547 WeakPolarHBondContact OD1-CG 3.47Å; D545-K547 PolarHBondContact OD1-N 2.97Å; D545-K547 WeakPolarHBondContact OD2-CE 3.25Å; D545-K547 IonicContact OD2-NZ 2.76Å
548	I	91	Very high	84.3	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.7	175.2	-58.1	161.6	0	0	0	108.1	F492 V503 F508 F537 Q540 D541 E552 F553	F492-I548 HydrophobicContact CE2-CG2 4.44Å; F492-I548 WeakPolarHBondContact CE2-O 3.36Å; V503-I548 HydrophobicContact CB-CB 4.29Å; V503-I548 PolarHBondContact N-O 2.85Å; V503-I548 PolarHBondContact O-N 2.9Å; F508-I548 HydrophobicContact CD2-CD1 3.69Å; F508-I548 HydrophobicContact CE2-CD1 4.04Å; F508-I548 HydrophobicContact CG-CD1 4.45Å; F537-I548 HydrophobicContact CD2-CD1 3.34Å; F537-I548 HydrophobicContact CD2-CG1 4.03Å; F537-I548 HydrophobicContact CE2-CD1 3.48Å; F537-I548 VanDerWaalsContact CE2-CD1 3.48Å; F537-I548 HydrophobicContact CE2-CG1 3.67Å; F537-I548 HydrophobicContact CG-CD1 4.18Å; F537-I548 HydrophobicContact CZ-CD1 4.39Å; F537-I548 HydrophobicContact CZ-CG1 4.18Å; Q540-I548 HydrophobicContact CB-CD1 3.49Å; Q540-I548 VanDerWaalsContact CB-CD1 3.49Å; Q540-I548 HydrophobicContact CB-CG1 3.88Å; Q540-I548 HydrophobicContact CB-CG2 4.28Å; Q540-I548 HydrophobicContact CG-CD1 4.41Å; D541-I548 HydrophobicContact CB-CG1 4.42Å; I548-E552 HydrophobicContact CG2-CB 4.33Å; I548-F553 HydrophobicContact CG2-CB 3.99Å; I548-F553 HydrophobicContact CG2-CD2 4.25Å
549	T	91.6	Very high	83	Confident	39 Å²	39	69.5 Å²	69.5	24%	0.239	38%	0.379	C	S	.	.			trans	-96.2	164	171.7	59.4	0	0	0	0	111.6	D551 E552 F553	T549-D551 PolarHBondContact O-N 2.98Å; T549-E552 PolarHBondContact N-OE2 2.89Å; T549-E552 PolarHBondContact O-N 2.88Å; T549-E552 VanDerWaalsContact OG1-CD 3.29Å; T549-E552 WeakPolarHBondContact OG1-CG 3.24Å; T549-E552 PolarHBondContact OG1-OE2 2.87Å; T549-F553 PolarHBondContact O-N 3.24Å
550	E	86.1	Confident	81.2	Confident	131 Å²	131	71.7 Å²	71.7	61%	0.612	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.6	-179.6	-169.6	175.4	-164.4	0	0	112.3	F492 E552	F492-E550 HydrophobicContact CD1-CB 4.08Å; F492-E550 HydrophobicContact CD1-CG 4.28Å; F492-E550 HydrophobicContact CD2-CB 4.44Å; F492-E550 HydrophobicContact CE1-CB 3.96Å; F492-E550 HydrophobicContact CE2-CB 4.32Å; F492-E550 VanDerWaalsContact CE2-N 3.31Å; F492-E550 HydrophobicContact CG-CB 4.34Å; F492-E550 HydrophobicContact CG-CG 4.38Å; F492-E550 HydrophobicContact CZ-CB 4.09Å; F492-E550 VanDerWaalsContact CZ-N 3.28Å; E550-E552 VanDerWaalsContact C-N 3.31Å; E550-E552 PolarHBondContact O-N 3.14Å
551	D	85.1	Confident	79.4	Confident	151 Å²	151	74.9 Å²	74.9	81%	0.807	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-25	177.5	-73.4	-33.8	0	0	0	113.3	T549	T549-D551 PolarHBondContact O-N 2.98Å
552	E	84	Confident	77.2	Confident	18 Å²	18	81 Å²	81	8%	0.084	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-33.3	-178.9	-70.1	169.9	138.9	0	0	112.6	R542 N543 I548 T549 E550 K554	R542-E552 PolarHBondContact NE-O 3.41Å; R542-E552 VanDerWaalsContact NE-O 3.1Å; N543-E552 WeakPolarHBondContact CB-OE1 3.5Å; N543-E552 PolarHBondContact ND2-OE1 2.81Å; I548-E552 HydrophobicContact CG2-CB 4.33Å; T549-E552 PolarHBondContact N-OE2 2.89Å; T549-E552 PolarHBondContact O-N 2.88Å; T549-E552 VanDerWaalsContact OG1-CD 3.29Å; T549-E552 WeakPolarHBondContact OG1-CG 3.24Å; T549-E552 PolarHBondContact OG1-OE2 2.87Å; E550-E552 VanDerWaalsContact C-N 3.31Å; E550-E552 PolarHBondContact O-N 3.14Å; E552-K554 PolarHBondContact O-N 2.91Å
553	F	85.4	Confident	74.9	Confident	38 Å²	38	82.3 Å²	82.3	17%	0.167	46%	0.461	C	S	.	.			trans	-64.9	114.6	-177.5	-173.4	-100.8	0	0	0	111.2	L491 F492 M495 I548 T549 L555	L491-F553 HydrophobicContact CB-CE1 4.38Å; L491-F553 HydrophobicContact CD2-CE1 3.87Å; L491-F553 HydrophobicContact CD2-CZ 3.46Å; L491-F553 VanDerWaalsContact CD2-CZ 3.46Å; L491-F553 HydrophobicContact CG-CE1 4.12Å; L491-F553 HydrophobicContact CG-CZ 3.78Å; F492-F553 HydrophobicContact CB-CD1 4.41Å; F492-F553 HydrophobicContact CD2-CB 3.85Å; F492-F553 HydrophobicContact CD2-CG 4.06Å; F492-F553 HydrophobicContact CE2-CB 4.39Å; M495-F553 HydrophobicContact CE-CD2 4.23Å; M495-F553 HydrophobicContact CE-CE2 3.82Å; M495-F553 HydrophobicContact SD-CE2 3.96Å; M495-F553 HydrophobicContact SD-CZ 4.25Å; I548-F553 HydrophobicContact CG2-CB 3.99Å; I548-F553 HydrophobicContact CG2-CD2 4.25Å; T549-F553 PolarHBondContact O-N 3.24Å; F553-L555 HydrophobicContact CE1-CD2 4.44Å; F553-L555 HydrophobicContact CE1-CG 4.43Å; F553-L555 HydrophobicContact CZ-CD2 4.15Å
554	K	80.2	Confident	72.3	Confident	90 Å²	90	87 Å²	87	39%	0.391	48%	0.48	S	S	.	.			trans	-138.2	132.8	173	-56.6	-169.4	-176.9	177.7	0	110.8	Q540 E552 E559	Q540-K554 PolarHBondContact NE2-O 3.17Å; Q540-K554 PolarHBondContact OE1-O 3.08Å; E552-K554 PolarHBondContact O-N 2.91Å; K554-E559 HydrophobicContact CB-CG 4.24Å
555	L	74.6	Confident	69.8	Low	52 Å²	52	94.8 Å²	94.8	27%	0.272	51%	0.506	S	S	.	.			trans	-73.5	146	168.1	-63.7	173	0	0	0	109.2	V487 L491 F553 A557 D558	V487-L555 HydrophobicContact CG1-CD1 4Å; L491-L555 HydrophobicContact CD2-CD1 4.46Å; L491-L555 HydrophobicContact CD2-CD2 3.86Å; F553-L555 HydrophobicContact CE1-CD2 4.44Å; F553-L555 HydrophobicContact CE1-CG 4.43Å; F553-L555 HydrophobicContact CZ-CD2 4.15Å; L555-A557 PolarHBondContact O-N 3.42Å; L555-D558 WeakPolarHBondContact O-CB 3.2Å; L555-D558 PolarHBondContact O-N 3.46Å
556	K	67.7	Low	68.7	Low	74 Å²	74	95.5 Å²	95.5	32%	0.322	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-56.1	-25.2	178.1	-165.6	177.7	-176.9	-173.2	0	113.3	G478 Y479 D558	G478-K556 VanDerWaalsContact C-NZ 3.3Å; G478-K556 PolarHBondContact O-NZ 3.47Å; Y479-K556 HydrophobicContact CD1-CD 4.45Å; Y479-K556 HydrophobicContact CE1-CD 4.07Å; K556-D558 VanDerWaalsContact C-N 3.31Å
557	A	65.3	Low	67.5	Low	88 Å²	88	98.6 Å²	98.6	73%	0.727	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-73.4	-20.2	175.7	0	0	0	0	0	113.8	L555	L555-A557 PolarHBondContact O-N 3.42Å
558	D	65.8	Low	66.2	Low	112 Å²	112	100.8 Å²	100.8	60%	0.599	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-96.5	-1.5	-177.7	-57.9	-35.5	0	0	0	112.4	L555 K556	L555-D558 WeakPolarHBondContact O-CB 3.2Å; L555-D558 PolarHBondContact O-N 3.46Å; K556-D558 VanDerWaalsContact C-N 3.31Å
559	E	63.8	Low	64.7	Low	68 Å²	68	106.8 Å²	106.8	32%	0.318	56%	0.563	S	S	.	*			trans	-90.7	123.9	179.3	-61.8	-166.8	133.9	0	0	111.4	R542 K554 T561	R542-E559 IonicContact CZ-OE1 3.59Å; R542-E559 IonicContact NH1-OE1 3.97Å; R542-E559 IonicContact NH2-OE1 3.69Å; R542-E559 PolarHBondContact NH2-OE1 3.44Å; K554-E559 HydrophobicContact CB-CG 4.24Å; E559-T561 VanDerWaalsContact C-N 3.26Å; E559-T561 PolarHBondContact O-N 3.44Å
560	T	48.4	Very low	63.1	Low	144 Å²	144	111 Å²	111	88%	0.883	58%	0.583	S	S	*	*	S	Bend	trans	-75.5	-5.7	-173.8	47.1	0	0	0	0	115.1
561	T	49.4	Very low	61.5	Low	101 Å²	101	109.7 Å²	109.7	62%	0.62	58%	0.582	S	S	*	*	S	Bend	trans	-139.8	114.6	-178.5	39.2	0	0	0	0	109.2	E559 D563	E559-T561 VanDerWaalsContact C-N 3.26Å; E559-T561 PolarHBondContact O-N 3.44Å; T561-D563 PolarHBondContact O-N 3.35Å; T561-D563 VanDerWaalsContact O-N 3.14Å
562	H	44.8	Very low	59.8	Low	148 Å²	148	106.7 Å²	106.7	69%	0.685	57%	0.565	S	S	*	*			trans	-77	91.9	173.6	-60.8	-51.7	0	0	0	108.9	E564	H562-E564 PolarHBondContact O-N 3.32Å
563	D	37.6	Very low	58	Low	149 Å²	149	113.5 Å²	113.5	80%	0.797	60%	0.602	S	S	*	*			trans	-71.8	111	162.6	-85.3	-22.2	0	0	0	107.5	T561	T561-D563 PolarHBondContact O-N 3.35Å; T561-D563 VanDerWaalsContact O-N 3.14Å
564	E	34.6	Very low	55.7	Low	189 Å²	189	119.8 Å²	119.8	88%	0.883	64%	0.639	S	S	*	*			trans	-69.3	130	169.4	-66.5	-176.9	160.3	0	0	108.6	H562	H562-E564 PolarHBondContact O-N 3.32Å
565	L	36	Very low	53.5	Low	223 Å²	223	122.5 Å²	122.5	100%	1.168	66%	0.661	S	S	*	*			trans	-74.3	0	171.5	-91.8	163.9	0	0	0	111.5

Retrieved 565 of 565 residues in 1593.8 ms (Link to these results)

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