A0A087XS45_POEFO Loading...

WD repeat-containing protein 20

AlphaFold DB , UniProt , Accession A0A087XS45, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 608 aa.

Structure Viewer

Loading PAE data...

(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	33.9	Very low	34	Very low	235 Å²	235	144.3 Å²	144.3	100%	1.158	86%	0.856	S	S	*	*				0	99	0	-61.5	164.9	-178.7	0	0	106.1
2	L	31	Very low	34.5	Very low	155 Å²	155	138.3 Å²	138.3	81%	0.812	85%	0.847	S	S	*	*			cis	66.7	85	26.4	-125.9	178.3	0	0	0	111.8
3	I	31	Very low	35.1	Very low	169 Å²	169	142.1 Å²	142.1	87%	0.867	85%	0.845	S	S	*	*			trans	-131.9	121	157.2	-65.5	-178.7	0	0	0	105.6
4	S	31.9	Very low	36	Very low	90 Å²	90	143.3 Å²	143.3	63%	0.629	84%	0.837	S	S	*	*			trans	-81.7	129.2	-171.9	-56.1	0	0	0	0	112.3
5	K	32.9	Very low	37.1	Very low	213 Å²	213	144.9 Å²	144.9	93%	0.926	84%	0.837	S	S	*	*			trans	-88.4	98.3	148.5	-88.2	-173.7	173	-179.8	0	107.9	A7	K5-A7 PolarHBondContact O-N 3.38Å
6	M	31.6	Very low	39.2	Very low	179 Å²	179	144.1 Å²	144.1	88%	0.882	83%	0.828	S	S	*	*			trans	-68.5	121.2	164.1	-80.6	176.6	157.8	0	0	108.6
7	A	33.4	Very low	42.2	Very low	90 Å²	90	142.8 Å²	142.8	74%	0.744	81%	0.813	S	S	*	*			trans	-74.8	134.6	163.5	0	0	0	0	0	108.4	K5 E9	K5-A7 PolarHBondContact O-N 3.38Å; A7-E9 PolarHBondContact O-N 3.4Å
8	A	36	Very low	45.1	Very low	106 Å²	106	137.1 Å²	137.1	88%	0.876	78%	0.779	S	S	*	*			trans	-79.6	110.8	168.9	0	0	0	0	0	108.6	G10	A8-G10 PolarHBondContact O-N 3.4Å
9	E	36.3	Very low	47.8	Very low	192 Å²	192	132.9 Å²	132.9	90%	0.897	75%	0.751	S	S	*	*			trans	-67.8	125.6	177.3	-67.5	-170.2	123.9	0	0	110.9	A7 G11	A7-E9 PolarHBondContact O-N 3.4Å; E9-G11 PolarHBondContact O-N 2.93Å
10	G	39.7	Very low	50.3	Low	75 Å²	75	130.4 Å²	130.4	77%	0.773	74%	0.739	S	S	*	*			trans	-77.7	47.8	-176.3	0	0	0	0	0	114.6	A8 G12	A8-G10 PolarHBondContact O-N 3.4Å; G10-G12 PolarHBondContact O-N 2.9Å
11	G	36.8	Very low	52.5	Low	83 Å²	83	129.1 Å²	129.1	86%	0.856	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	82.3	-178.2	0	0	0	0	0	113.4	E9	E9-G11 PolarHBondContact O-N 2.93Å
12	G	39.4	Very low	55.5	Low	72 Å²	72	118.3 Å²	118.3	74%	0.742	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.5	5.3	177.2	0	0	0	0	0	119.1	G10	G10-G12 PolarHBondContact O-N 2.9Å
13	K	43.1	Very low	58.7	Low	188 Å²	188	115 Å²	115	82%	0.817	66%	0.66	S	S	*	*			trans	-86.9	-29	-171.6	-76.5	-169.2	173.6	-177.1	0	116.6	M15	K13-M15 PolarHBondContact O-N 2.94Å
14	E	47.8	Very low	61.8	Low	159 Å²	159	108 Å²	108	74%	0.743	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-71.2	-29.2	-163	-63.7	-155.7	136.3	0	0	115.9	N16 K19	E14-N16 VanDerWaalsContact C-N 3.35Å; E14-N16 PolarHBondContact O-N 3.39Å; E14-K19 PolarHBondContact O-NZ 2.94Å
15	M	52.6	Low	64.7	Low	168 Å²	168	110.3 Å²	110.3	83%	0.828	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-79.3	-10.7	-165.8	-169.5	161.1	63.8	0	0	114.7	K13	K13-M15 PolarHBondContact O-N 2.94Å
16	N	70.8	Confident	67.5	Low	132 Å²	132	103.2 Å²	103.2	71%	0.706	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-112.6	0.8	-178.8	-157.3	17.5	0	0	0	114	E14 K557	E14-N16 VanDerWaalsContact C-N 3.35Å; E14-N16 PolarHBondContact O-N 3.39Å; N16-K557 WeakPolarHBondContact OD1-CE 3.46Å
17	E	89.6	Confident	70.6	Confident	121 Å²	121	95.8 Å²	95.8	57%	0.565	56%	0.56	S	S	*	*	S	Bend	trans	-85.8	136	178.7	-175.2	-169.9	-127.6	0	0	111.3	K19	E17-K19 WeakPolarHBondContact O-CE 3.16Å; E17-K19 PolarHBondContact O-N 3.36Å; E17-K19 IonicContact OE2-NZ 2.71Å; E17-K19 PolarHBondContact OE2-NZ 3.39Å
18	I	94.6	Very high	73.6	Confident	40 Å²	40	94.3 Å²	94.3	21%	0.205	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-66.2	126.1	173	-71.1	172.5	0	0	0	109.7	K557 I558 H560	I18-K557 HydrophobicContact CG1-CG 4.44Å; I18-I558 WeakPolarHBondContact CG2-O 3.35Å; I18-H560 HydrophobicContact CD1-CB 4.4Å; I18-H560 VanDerWaalsContact CD1-CD2 3.46Å; I18-H560 WeakPolarHBondContact CD1-CD2 3.25Å; I18-H560 WeakPolarHBondContact CD1-NE2 3.23Å
19	K	97	Very high	76.6	Confident	58 Å²	58	89.4 Å²	89.4	25%	0.252	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-90.6	129.3	177.5	-52.9	-55.2	170.6	-178.7	0	109.8	E14 E17 K557 W585	E14-K19 PolarHBondContact O-NZ 2.94Å; E17-K19 WeakPolarHBondContact O-CE 3.16Å; E17-K19 PolarHBondContact O-N 3.36Å; E17-K19 IonicContact OE2-NZ 2.71Å; E17-K19 PolarHBondContact OE2-NZ 3.39Å; K19-K557 PolarHBondContact N-O 3.22Å; K19-W585 VanDerWaalsContact O-CH2 3.25Å; K19-W585 WeakPolarHBondContact O-CH2 3.25Å
20	T	96.8	Very high	79.5	Confident	83 Å²	83	84.9 Å²	84.9	51%	0.509	48%	0.478	S	S	.	.	S	Bend	trans	-97.3	-1.7	-175.7	54.9	0	0	0	0	113.6	L31	T20-L31 HydrophobicContact CG2-CD2 4.12Å; T20-L31 WeakPolarHBondContact O-CB 3.44Å; T20-L31 PolarHBondContact O-N 3.22Å
21	Q	96.9	Very high	82.2	Confident	103 Å²	103	83 Å²	83	48%	0.481	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	158	173.4	58.3	172.4	33.3	0	0	110.5	V28 Y29 K30	Q21-V28 HydrophobicContact CB-CG1 4.31Å; Q21-Y29 WeakPolarHBondContact CA-O 3.11Å; Q21-Y29 VanDerWaalsContact CB-O 3.23Å; Q21-Y29 WeakPolarHBondContact CB-O 3.5Å; Q21-K30 HydrophobicContact CB-CG 4.07Å
22	F	97.5	Very high	85.1	Confident	9 Å²	9	79.9 Å²	79.9	4%	0.039	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	167.9	171.5	61.1	-95	0	0	0	110.3	T24 V28 Y29 L384 L386 I554 K556 L573 W585	F22-T24 HydrophobicContact CD2-CG2 4.22Å; F22-T24 HydrophobicContact CE2-CG2 4.2Å; F22-V28 CarbonylContact O-C 3.6Å; F22-V28 WeakPolarHBondContact O-CA 3.36Å; F22-Y29 HydrophobicContact CD2-CD2 4.25Å; F22-Y29 HydrophobicContact CD2-CG 4.3Å; F22-Y29 HydrophobicContact CE2-CD1 4.19Å; F22-Y29 AromaticContact CE2-CD2 3.69Å; F22-Y29 HydrophobicContact CE2-CD2 3.69Å; F22-Y29 HydrophobicContact CE2-CE2 4.42Å; F22-Y29 AromaticContact CE2-CG 3.58Å; F22-Y29 HydrophobicContact CE2-CG 3.58Å; F22-Y29 HydrophobicContact CZ-CD1 4.01Å; F22-Y29 HydrophobicContact CZ-CD2 4.32Å; F22-Y29 AromaticContact CZ-CG 3.74Å; F22-Y29 HydrophobicContact CZ-CG 3.74Å; F22-Y29 PolarHBondContact N-O 2.71Å; F22-Y29 VanDerWaalsContact N-O 3.07Å; F22-Y29 PolarHBondContact O-N 3.23Å; F22-L384 HydrophobicContact CE1-CD2 3.76Å; F22-L384 HydrophobicContact CZ-CD2 3.98Å; F22-L386 HydrophobicContact CE2-CD1 3.64Å; F22-L386 HydrophobicContact CZ-CD1 4.09Å; F22-I554 HydrophobicContact CD1-CD1 4.34Å; F22-I554 HydrophobicContact CD2-CD1 3.98Å; F22-I554 HydrophobicContact CD2-CG1 3.93Å; F22-I554 HydrophobicContact CD2-CG2 4.32Å; F22-I554 HydrophobicContact CE2-CD1 4.18Å; F22-I554 HydrophobicContact CE2-CG1 4.22Å; F22-I554 HydrophobicContact CG-CD1 4.06Å; F22-I554 HydrophobicContact CG-CG1 4.41Å; F22-I554 HydrophobicContact CZ-CD1 4.43Å; F22-K556 HydrophobicContact CB-CG 4.25Å; F22-L573 HydrophobicContact CE1-CD2 4.29Å; F22-L573 HydrophobicContact CZ-CD2 3.73Å; F22-W585 HydrophobicContact CD1-CE3 4.28Å; F22-W585 HydrophobicContact CD1-CZ3 4.26Å; F22-W585 AromaticContact CE1-CE3 3.99Å; F22-W585 HydrophobicContact CE1-CE3 3.99Å; F22-W585 HydrophobicContact CE1-CZ3 4.33Å
23	T	96.9	Very high	87.8	Confident	85 Å²	85	81.1 Å²	81.1	52%	0.521	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.2	-174.9	-50.1	0	0	0	0	109.9	G27 V28 I554	T23-G27 WeakPolarHBondContact CA-O 3.48Å; T23-V28 HydrophobicContact CG2-CG2 4.24Å; T23-I554 WeakPolarHBondContact O-CG2 3.46Å
24	T	96.3	Very high	90.3	Very high	21 Å²	21	76.4 Å²	76.4	13%	0.129	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	-174.6	170.8	63.8	0	0	0	0	109.6	F22 E26 G27 Y29 L386 I554	F22-T24 HydrophobicContact CD2-CG2 4.22Å; F22-T24 HydrophobicContact CE2-CG2 4.2Å; T24-E26 VanDerWaalsContact CB-OE2 3.3Å; T24-E26 WeakPolarHBondContact CB-OE2 3.43Å; T24-E26 PolarHBondContact O-N 2.87Å; T24-E26 VanDerWaalsContact O-N 3.16Å; T24-E26 PolarHBondContact OG1-OE2 2.95Å; T24-G27 PolarHBondContact N-O 3.29Å; T24-G27 PolarHBondContact O-N 3.31Å; T24-Y29 HydrophobicContact CG2-CE2 4.37Å; T24-Y29 WeakPolarHBondContact OG1-CE2 3.45Å; T24-L386 HydrophobicContact CG2-CD1 4.05Å; T24-I554 HydrophobicContact CG2-CG2 4.3Å
25	R	93	Very high	92.7	Very high	140 Å²	140	68.8 Å²	68.8	53%	0.528	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.3	177.6	68.7	-171.8	-171.1	-167.1	10.7	113.4	R374 D388	R25-R374 VanDerWaalsContact CZ-NH2 3.32Å; R25-D388 IonicContact CZ-OD2 3.88Å; R25-D388 IonicContact NE-OD2 3.01Å; R25-D388 IonicContact NH1-OD2 3.42Å; R25-D388 PolarHBondContact NH1-OD2 3.42Å
26	E	92.6	Very high	94.8	Very high	63 Å²	63	62.4 Å²	62.4	29%	0.294	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-14	176.3	-59.6	72.8	-160.6	0	0	113.6	T24 T321 R374 P588	T24-E26 VanDerWaalsContact CB-OE2 3.3Å; T24-E26 WeakPolarHBondContact CB-OE2 3.43Å; T24-E26 PolarHBondContact O-N 2.87Å; T24-E26 VanDerWaalsContact O-N 3.16Å; T24-E26 PolarHBondContact OG1-OE2 2.95Å; E26-T321 HydrophobicContact CG-CG2 4.21Å; E26-R374 IonicContact OE1-CZ 3.6Å; E26-R374 IonicContact OE1-NH1 3.98Å; E26-R374 PolarHBondContact OE1-NH1 3.31Å; E26-R374 IonicContact OE1-NH2 3.18Å; E26-R374 PolarHBondContact OE1-NH2 2.6Å; E26-R374 IonicContact OE2-CZ 3.62Å; E26-R374 IonicContact OE2-NH1 3.06Å; E26-R374 PolarHBondContact OE2-NH1 3.44Å; E26-R374 IonicContact OE2-NH2 3.74Å; E26-P588 HydrophobicContact CB-CG 4.09Å; E26-P588 WeakPolarHBondContact O-CB 3.08Å; E26-P588 WeakPolarHBondContact O-CG 3.48Å
27	G	95.6	Very high	96.2	Very high	24 Å²	24	56.1 Å²	56.1	25%	0.247	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118	-154.6	-177.5	0	0	0	0	0	113.8	T23 T24 P588	T23-G27 WeakPolarHBondContact CA-O 3.48Å; T24-G27 PolarHBondContact N-O 3.29Å; T24-G27 PolarHBondContact O-N 3.31Å; G27-P588 VanDerWaalsContact C-CG 3.49Å
28	V	96.8	Very high	96.6	Very high	59 Å²	59	50.4 Å²	50.4	36%	0.358	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.9	-172.3	-169.3	0	0	0	0	112.2	Q21 F22 T23 K30	Q21-V28 HydrophobicContact CB-CG1 4.31Å; F22-V28 CarbonylContact O-C 3.6Å; F22-V28 WeakPolarHBondContact O-CA 3.36Å; T23-V28 HydrophobicContact CG2-CG2 4.24Å; V28-K30 HydrophobicContact CG1-CG 3.91Å
29	Y	97.9	Very high	96.7	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.2	167	-73.7	-108	0	0	0	109.9	Q21 F22 T24 L573 A586 R587 P588	Q21-Y29 WeakPolarHBondContact CA-O 3.11Å; Q21-Y29 VanDerWaalsContact CB-O 3.23Å; Q21-Y29 WeakPolarHBondContact CB-O 3.5Å; F22-Y29 HydrophobicContact CD2-CD2 4.25Å; F22-Y29 HydrophobicContact CD2-CG 4.3Å; F22-Y29 HydrophobicContact CE2-CD1 4.19Å; F22-Y29 AromaticContact CE2-CD2 3.69Å; F22-Y29 HydrophobicContact CE2-CD2 3.69Å; F22-Y29 HydrophobicContact CE2-CE2 4.42Å; F22-Y29 AromaticContact CE2-CG 3.58Å; F22-Y29 HydrophobicContact CE2-CG 3.58Å; F22-Y29 HydrophobicContact CZ-CD1 4.01Å; F22-Y29 HydrophobicContact CZ-CD2 4.32Å; F22-Y29 AromaticContact CZ-CG 3.74Å; F22-Y29 HydrophobicContact CZ-CG 3.74Å; F22-Y29 PolarHBondContact N-O 2.71Å; F22-Y29 VanDerWaalsContact N-O 3.07Å; F22-Y29 PolarHBondContact O-N 3.23Å; T24-Y29 HydrophobicContact CG2-CE2 4.37Å; T24-Y29 WeakPolarHBondContact OG1-CE2 3.45Å; Y29-L573 HydrophobicContact CD1-CD2 3.81Å; Y29-L573 HydrophobicContact CE1-CD2 4.13Å; Y29-A586 WeakPolarHBondContact CA-O 3.45Å; Y29-R587 HydrophobicContact CD1-CG 4.42Å; Y29-R587 HydrophobicContact CE1-CB 4.32Å; Y29-R587 HydrophobicContact CE1-CG 3.75Å; Y29-R587 PolarHBondContact OH-NH1 3.21Å; Y29-P588 HydrophobicContact CD2-CG 3.95Å; Y29-P588 HydrophobicContact CE2-CG 3.81Å
30	K	97.4	Very high	96.7	Very high	97 Å²	97	50 Å²	50	42%	0.422	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.2	-175.3	-63.7	-171.4	176.7	-176.5	0	112.8	Q21 V28 L32 W585 A586	Q21-K30 HydrophobicContact CB-CG 4.07Å; V28-K30 HydrophobicContact CG1-CG 3.91Å; K30-L32 PolarHBondContact O-N 2.77Å; K30-W585 CarbonylContact O-C 3.47Å; K30-W585 VanDerWaalsContact O-CA 3.22Å; K30-W585 WeakPolarHBondContact O-CA 3.46Å; K30-A586 PolarHBondContact N-O 2.79Å; K30-A586 PolarHBondContact O-N 2.76Å
31	L	97.9	Very high	96.6	Very high	36 Å²	36	50.6 Å²	50.6	19%	0.188	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.5	169.9	178.6	61.6	0	0	0	110.3	T20 C583 W585	T20-L31 HydrophobicContact CG2-CD2 4.12Å; T20-L31 WeakPolarHBondContact O-CB 3.44Å; T20-L31 PolarHBondContact O-N 3.22Å; L31-C583 HydrophobicContact CD1-CB 3.61Å; L31-W585 HydrophobicContact CB-CD2 4.05Å; L31-W585 HydrophobicContact CB-CE3 3.76Å; L31-W585 HydrophobicContact CB-CH2 4.24Å; L31-W585 HydrophobicContact CB-CZ3 3.88Å; L31-W585 HydrophobicContact CD1-CD2 4.21Å; L31-W585 HydrophobicContact CD1-CZ2 4.22Å
32	L	97.5	Very high	96.4	Very high	16 Å²	16	51.7 Å²	51.7	8%	0.084	26%	0.261	C	S	.	.			trans	-108.2	94.4	178.4	-60.4	-170.7	0	0	0	110	K30 H34 S35 E36 V86 T584 A586	K30-L32 PolarHBondContact O-N 2.77Å; L32-H34 PolarHBondContact O-N 2.98Å; L32-S35 CarbonylContact O-C 3.58Å; L32-S35 WeakPolarHBondContact O-CA 3.37Å; L32-S35 WeakPolarHBondContact O-CB 3.21Å; L32-S35 PolarHBondContact O-N 2.98Å; L32-E36 PolarHBondContact O-N 2.66Å; L32-V86 HydrophobicContact CD1-CB 3.61Å; L32-V86 HydrophobicContact CD1-CG1 3.91Å; L32-V86 WeakPolarHBondContact CD1-O 3.38Å; L32-T584 PolarHBondContact N-O 2.89Å; L32-A586 HydrophobicContact CD1-CB 3.78Å; L32-A586 HydrophobicContact CD2-CB 4.48Å; L32-A586 HydrophobicContact CG-CB 4.11Å
33	T	95.1	Very high	96.3	Very high	99 Å²	99	55.1 Å²	55.1	61%	0.607	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-63.5	-22.6	-180	54.5	0	0	0	0	113.2	S35 E36	T33-S35 VanDerWaalsContact C-N 3.29Å; T33-E36 WeakPolarHBondContact O-CB 3.46Å
34	H	96	Very high	96.1	Very high	88 Å²	88	54.1 Å²	54.1	41%	0.407	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-76.6	-12.4	171.2	65.5	-104.9	0	0	0	114.1	L32 V86 K88 A89	L32-H34 PolarHBondContact O-N 2.98Å; H34-V86 PolarHBondContact NE2-O 3.09Å; H34-K88 WeakPolarHBondContact O-CA 3.34Å; H34-A89 PolarHBondContact O-N 3.24Å
35	S	97.4	Very high	96	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-108.1	13.5	178.5	-58.4	0	0	0	0	112.4	L32 T33 G85 V86 R87 T584	L32-S35 CarbonylContact O-C 3.58Å; L32-S35 WeakPolarHBondContact O-CA 3.37Å; L32-S35 WeakPolarHBondContact O-CB 3.21Å; L32-S35 PolarHBondContact O-N 2.98Å; T33-S35 VanDerWaalsContact C-N 3.29Å; S35-G85 WeakPolarHBondContact CB-O 3.2Å; S35-G85 PolarHBondContact OG-O 2.96Å; S35-V86 PolarHBondContact OG-O 2.88Å; S35-R87 PolarHBondContact OG-O 3.25Å; S35-T584 PolarHBondContact O-OG1 2.82Å
36	E	97.9	Very high	95.5	Very high	33 Å²	33	54.3 Å²	54.3	15%	0.154	29%	0.286	C	S	.	.			trans	-74.8	137.4	176.3	-176.3	-163.9	83.3	0	0	111.5	L32 T33 R42 I582	L32-E36 PolarHBondContact O-N 2.66Å; T33-E36 WeakPolarHBondContact O-CB 3.46Å; E36-R42 IonicContact OE1-CZ 3.6Å; E36-R42 IonicContact OE1-NH1 2.66Å; E36-R42 PolarHBondContact OE1-NH1 3.07Å; E36-R42 IonicContact OE1-NH2 3.88Å; E36-I582 WeakPolarHBondContact CA-O 3.22Å
37	Y	98.7	Very high	94.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.3	168.9	-72.4	-109.1	0	0	0	109.6	I70 Y81 I82 Y83 K84 A89 A90 L92 I582	Y37-I70 HydrophobicContact CD1-CG2 3.93Å; Y37-I70 HydrophobicContact CE1-CG2 3.85Å; Y37-I70 HydrophobicContact CG-CD1 4.41Å; Y37-Y81 HydrophobicContact CD1-CD2 4.28Å; Y37-Y81 HydrophobicContact CD1-CG 4.31Å; Y37-Y81 HydrophobicContact CE1-CG 4.26Å; Y37-I82 WeakPolarHBondContact CE1-O 3.48Å; Y37-I82 PolarHBondContact OH-O 2.98Å; Y37-Y83 HydrophobicContact CD2-CD2 4.32Å; Y37-Y83 HydrophobicContact CD2-CE2 4.43Å; Y37-Y83 AromaticContact CE2-CD2 3.74Å; Y37-Y83 HydrophobicContact CE2-CD2 3.74Å; Y37-Y83 HydrophobicContact CE2-CE2 4.05Å; Y37-Y83 WeakPolarHBondContact OH-CA 3.36Å; Y37-K84 PolarHBondContact OH-N 2.88Å; Y37-A89 HydrophobicContact CD2-CB 4.08Å; Y37-A89 HydrophobicContact CE1-CB 4.49Å; Y37-A89 HydrophobicContact CE2-CB 3.59Å; Y37-A90 HydrophobicContact CE1-CB 4.07Å; Y37-A90 PolarHBondContact OH-N 3.05Å; Y37-A90 VanDerWaalsContact OH-N 3.15Å; Y37-L92 HydrophobicContact CD1-CD2 3.88Å; Y37-L92 HydrophobicContact CE1-CD2 4.48Å; Y37-L92 HydrophobicContact CG-CD2 4.36Å; Y37-I582 PolarHBondContact N-O 3.32Å; Y37-I582 WeakPolarHBondContact O-CB 3.3Å; Y37-I582 VanDerWaalsContact O-CD1 3.27Å; Y37-I582 WeakPolarHBondContact O-CD1 3.36Å; Y37-I582 PolarHBondContact O-N 2.87Å
38	S	98.3	Very high	92.9	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-178.6	-179.4	70.4	0	0	0	0	110.5	G580	S38-G580 WeakPolarHBondContact CA-O 3.42Å
39	R	97.6	Very high	91.6	Very high	36 Å²	36	60.7 Å²	60.7	14%	0.136	33%	0.332	C	S	.	.			trans	-55.4	145.4	162.8	-63.2	-168.6	-66.8	174.7	-0.1	110.4	N41 R42 V43 P44 V74 E77 Y79	R39-N41 WeakPolarHBondContact CB-OD1 3.29Å; R39-N41 PolarHBondContact O-N 3.04Å; R39-N41 VanDerWaalsContact O-N 3.12Å; R39-R42 PolarHBondContact O-N 2.82Å; R39-V43 PolarHBondContact NH2-O 3.07Å; R39-P44 PolarHBondContact NH2-O 3.29Å; R39-V74 HydrophobicContact CG-CB 4.08Å; R39-V74 HydrophobicContact CG-CG1 4.05Å; R39-V74 HydrophobicContact CG-CG2 4.03Å; R39-E77 VanDerWaalsContact CD-OE2 3.22Å; R39-E77 WeakPolarHBondContact CD-OE2 3.45Å; R39-Y79 HydrophobicContact CG-CE2 4.04Å
40	P	96.1	Very high	91	Very high	53 Å²	53	61 Å²	61	34%	0.344	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.4	-175.1	-22.4	30.8	0	0	0	114.2	R42 Y79 L92	P40-R42 VanDerWaalsContact C-N 3.3Å; P40-Y79 VanDerWaalsContact CD-CE1 3.44Å; P40-Y79 VanDerWaalsContact CD-OH 3.23Å; P40-Y79 WeakPolarHBondContact CD-OH 3.49Å; P40-Y79 HydrophobicContact CG-CE1 3.8Å; P40-L92 WeakPolarHBondContact CB-O 3.42Å; P40-L92 VanDerWaalsContact CG-O 3.31Å; P40-L92 WeakPolarHBondContact CG-O 3.33Å
41	N	94.3	Very high	90.8	Very high	96 Å²	96	57.2 Å²	57.2	51%	0.513	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7	177.7	66.5	-1	0	0	0	114	R39 V43	R39-N41 WeakPolarHBondContact CB-OD1 3.29Å; R39-N41 PolarHBondContact O-N 3.04Å; R39-N41 VanDerWaalsContact O-N 3.12Å; N41-V43 HydrophobicContact CB-CG2 4.19Å; N41-V43 PolarHBondContact O-N 3.42Å; N41-V43 PolarHBondContact OD1-N 3.19Å
42	R	94.3	Very high	90.7	Very high	127 Å²	127	57.1 Å²	57.1	48%	0.479	32%	0.321	S	S	.	.			trans	54.1	15.6	-178.1	-64.3	175.7	165.7	-84.4	-10.4	115.4	E36 R39 P40	E36-R42 IonicContact OE1-CZ 3.6Å; E36-R42 IonicContact OE1-NH1 2.66Å; E36-R42 PolarHBondContact OE1-NH1 3.07Å; E36-R42 IonicContact OE1-NH2 3.88Å; R39-R42 PolarHBondContact O-N 2.82Å; P40-R42 VanDerWaalsContact C-N 3.3Å
43	V	94.5	Very high	90.7	Very high	80 Å²	80	56.4 Å²	56.4	49%	0.485	32%	0.317	S	S	.	.			trans	-79.3	129.8	177.1	-178.1	0	0	0	0	108.8	R39 N41 F45	R39-V43 PolarHBondContact NH2-O 3.07Å; N41-V43 HydrophobicContact CB-CG2 4.19Å; N41-V43 PolarHBondContact O-N 3.42Å; N41-V43 PolarHBondContact OD1-N 3.19Å; V43-F45 PolarHBondContact O-N 3.26Å
44	P	93.8	Very high	90.9	Very high	65 Å²	65	53.7 Å²	53.7	42%	0.422	30%	0.297	S	S	.	.			trans	-53.4	135.2	172.9	-25.3	33	0	0	0	112.1	R39 N46 E579 F581	R39-P44 PolarHBondContact NH2-O 3.29Å; P44-N46 PolarHBondContact O-N 2.74Å; P44-N46 VanDerWaalsContact O-N 3.16Å; P44-E579 HydrophobicContact CB-CB 4.17Å; P44-E579 HydrophobicContact CB-CG 4.21Å; P44-F581 HydrophobicContact CB-CE2 4.03Å; P44-F581 HydrophobicContact CB-CZ 4.42Å; P44-F581 HydrophobicContact CG-CE2 3.91Å; P44-F581 HydrophobicContact CG-CZ 3.97Å
45	F	92.7	Very high	91	Very high	30 Å²	30	50 Å²	50	13%	0.132	28%	0.28	C	S	.	.			trans	-82.9	88.1	176.7	-178.4	-112.1	0	0	0	111.3	V43 S47 V74 E579	V43-F45 PolarHBondContact O-N 3.26Å; F45-S47 PolarHBondContact O-N 3.45Å; F45-V74 HydrophobicContact CB-CG1 3.48Å; F45-V74 VanDerWaalsContact CB-CG1 3.48Å; F45-V74 HydrophobicContact CD1-CG1 3.77Å; F45-V74 HydrophobicContact CD2-CG1 3.84Å; F45-V74 HydrophobicContact CE1-CG1 4.47Å; F45-V74 HydrophobicContact CG-CG1 3.4Å; F45-V74 VanDerWaalsContact CG-CG1 3.4Å; F45-E579 WeakPolarHBondContact CB-O 3.39Å; F45-E579 PolarHBondContact N-O 3.39Å
46	N	82.2	Confident	91.1	Very high	134 Å²	134	50.8 Å²	50.8	72%	0.717	29%	0.286	S	S	*	.			trans	-80.5	108.1	168.7	-173.9	-7.1	0	0	0	110.3	P44	P44-N46 PolarHBondContact O-N 2.74Å; P44-N46 VanDerWaalsContact O-N 3.16Å
47	S	71	Confident	91.1	Very high	49 Å²	49	50.6 Å²	50.6	34%	0.343	29%	0.285	S	S	.	.			trans	-149.8	90.9	166.5	-168.7	0	0	0	0	109.9	F45 G49 S50	F45-S47 PolarHBondContact O-N 3.45Å; S47-G49 PolarHBondContact O-N 3.41Å; S47-S50 VanDerWaalsContact O-CB 3.24Å; S47-S50 WeakPolarHBondContact O-CB 3.46Å; S47-S50 PolarHBondContact O-N 2.86Å; S47-S50 PolarHBondContact O-OG 2.97Å
48	Q	64.4	Low	91.1	Very high	152 Å²	152	50.7 Å²	50.7	71%	0.71	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	126.7	175.7	-69.1	-64.1	-34.2	0	0	110.7	S50	Q48-S50 VanDerWaalsContact C-N 3.34Å
49	G	68.1	Low	91	Very high	79 Å²	79	54 Å²	54	81%	0.814	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	7.7	-177	0	0	0	0	0	116.2	S47	S47-G49 PolarHBondContact O-N 3.41Å
50	S	84.9	Confident	90.8	Very high	11 Å²	11	52.3 Å²	52.3	8%	0.077	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-70.2	166.3	173.9	61.3	0	0	0	0	113.7	S47 Q48 R562	S47-S50 VanDerWaalsContact O-CB 3.24Å; S47-S50 WeakPolarHBondContact O-CB 3.46Å; S47-S50 PolarHBondContact O-N 2.86Å; S47-S50 PolarHBondContact O-OG 2.97Å; Q48-S50 VanDerWaalsContact C-N 3.34Å; S50-R562 PolarHBondContact O-NH2 3.02Å
51	N	93.6	Very high	90.1	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.091	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-59.2	151.7	171	-69.1	-13.3	0	0	0	111.1	Q105 P106 T107 Q578	N51-Q105 VanDerWaalsContact ND2-CB 3.32Å; N51-Q105 WeakPolarHBondContact ND2-CB 3.2Å; N51-Q105 PolarHBondContact ND2-O 3.48Å; N51-Q105 VanDerWaalsContact ND2-O 3.14Å; N51-P106 WeakPolarHBondContact CB-O 3.43Å; N51-P106 PolarHBondContact ND2-O 2.89Å; N51-T107 VanDerWaalsContact ND2-CG2 3.32Å; N51-T107 WeakPolarHBondContact ND2-CG2 3.29Å; N51-Q578 PolarHBondContact O-NE2 2.8Å
52	P	96.1	Very high	89.3	Confident	34 Å²	34	53.9 Å²	53.9	22%	0.221	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-62.1	148	173.8	27.9	-35.3	0	0	0	111.7	N73 T564	P52-N73 PolarHBondContact O-ND2 3.27Å; P52-T564 HydrophobicContact CB-CG2 3.92Å
53	V	98.1	Very high	88.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-72.2	120.9	160.4	172.3	0	0	0	0	107.1	T564 A576	V53-T564 WeakPolarHBondContact O-CB 3.49Å; V53-T564 PolarHBondContact O-OG1 3.46Å; V53-A576 HydrophobicContact CG1-CB 4.18Å
54	K	98.6	Very high	87.4	Confident	42 Å²	42	56.9 Å²	56.9	18%	0.183	32%	0.324	C	S	.	.			trans	-114.5	158.7	170.6	-72.3	-77.1	-169	168.6	0	108.6	F72 N73 E230	K54-F72 WeakPolarHBondContact O-CA 3.3Å; K54-F72 WeakPolarHBondContact O-CB 3.37Å; K54-N73 PolarHBondContact N-OD1 3.06Å; K54-N73 PolarHBondContact O-N 3.04Å; K54-N73 PolarHBondContact O-OD1 3.32Å; K54-E230 IonicContact NZ-OE1 3.78Å; K54-E230 PolarHBondContact NZ-OE1 2.96Å
55	V	98.9	Very high	86.5	Confident	10 Å²	10	56.5 Å²	56.5	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.9	178.9	177.3	0	0	0	0	107.7	F57 I70 C71 F72 V565 I567 A576 I582	V55-F57 HydrophobicContact CG1-CD2 4.27Å; V55-F57 HydrophobicContact CG1-CE2 3.69Å; V55-F57 HydrophobicContact CG1-CZ 3.85Å; V55-I70 HydrophobicContact CG1-CD1 3.79Å; V55-I70 HydrophobicContact CG1-CG1 3.78Å; V55-C71 WeakPolarHBondContact CA-O 3.38Å; V55-F72 HydrophobicContact CG2-CB 3.99Å; V55-V565 HydrophobicContact CB-CG1 4.1Å; V55-V565 HydrophobicContact CB-CG2 4.16Å; V55-V565 HydrophobicContact CG2-CG1 4.34Å; V55-V565 HydrophobicContact CG2-CG2 4Å; V55-I567 HydrophobicContact CB-CD1 4.39Å; V55-I567 HydrophobicContact CG1-CD1 4.43Å; V55-A576 HydrophobicContact CG2-CB 4.19Å; V55-I582 HydrophobicContact CG2-CG1 3.58Å; V55-I582 HydrophobicContact CG2-CG2 4.05Å
56	S	98.8	Very high	86	Confident	17 Å²	17	57.1 Å²	57.1	12%	0.119	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145	172.6	-60.7	0	0	0	0	109.9	C71 H109	S56-C71 PolarHBondContact N-O 3Å; S56-C71 PolarHBondContact O-N 2.86Å; S56-H109 PolarHBondContact OG-CE1 2.71Å; S56-H109 PolarHBondContact OG-ND1 3.48Å; S56-H109 PolarHBondContact OG-O 2.9Å
57	F	98.4	Very high	86.5	Confident	29 Å²	29	51 Å²	51	13%	0.127	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	152.6	179.2	-67.9	-79.6	0	0	0	110.6	V55 R69 I70 Y83 H113 I567 L569 V574	V55-F57 HydrophobicContact CG1-CD2 4.27Å; V55-F57 HydrophobicContact CG1-CE2 3.69Å; V55-F57 HydrophobicContact CG1-CZ 3.85Å; F57-R69 WeakPolarHBondContact CA-O 3.34Å; F57-I70 HydrophobicContact CD1-CB 3.93Å; F57-I70 HydrophobicContact CD1-CG1 4.12Å; F57-I70 HydrophobicContact CE1-CB 3.7Å; F57-I70 HydrophobicContact CE1-CD1 3.72Å; F57-I70 HydrophobicContact CE1-CG1 3.64Å; F57-I70 HydrophobicContact CZ-CD1 3.86Å; F57-I70 HydrophobicContact CZ-CG1 4.1Å; F57-Y83 HydrophobicContact CD1-CD1 4.07Å; F57-Y83 HydrophobicContact CD1-CG 4.1Å; F57-Y83 AromaticContact CE1-CD1 3.7Å; F57-Y83 HydrophobicContact CE1-CD1 3.7Å; F57-Y83 AromaticContact CE1-CD2 3.68Å; F57-Y83 HydrophobicContact CE1-CD2 3.68Å; F57-Y83 AromaticContact CE1-CE1 3.88Å; F57-Y83 HydrophobicContact CE1-CE1 3.88Å; F57-Y83 AromaticContact CE1-CE2 3.87Å; F57-Y83 HydrophobicContact CE1-CE2 3.87Å; F57-Y83 AromaticContact CE1-CG 3.58Å; F57-Y83 HydrophobicContact CE1-CG 3.58Å; F57-Y83 AromaticContact CE1-CZ 3.96Å; F57-Y83 HydrophobicContact CZ-CD2 4.44Å; F57-Y83 HydrophobicContact CZ-CE1 4.4Å; F57-Y83 HydrophobicContact CZ-CE2 4.22Å; F57-H113 PolarHBondContact O-CE1 2.7Å; F57-H113 PolarHBondContact O-NE2 3.37Å; F57-I567 HydrophobicContact CD2-CD1 3.9Å; F57-I567 HydrophobicContact CD2-CG2 4.24Å; F57-I567 HydrophobicContact CE2-CD1 3.79Å; F57-I567 HydrophobicContact CE2-CG2 4.26Å; F57-L569 HydrophobicContact CE2-CD1 4.23Å; F57-L569 HydrophobicContact CZ-CD1 4.25Å; F57-V574 HydrophobicContact CE2-CB 4.34Å; F57-V574 HydrophobicContact CE2-CG1 4.29Å; F57-V574 HydrophobicContact CE2-CG2 4.24Å; F57-V574 HydrophobicContact CZ-CB 4.37Å; F57-V574 HydrophobicContact CZ-CG1 4.1Å; F57-V574 HydrophobicContact CZ-CG2 3.97Å
58	V	97.9	Very high	87.7	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	143.2	166.4	64	0	0	0	0	108.8	V60 R69 F111 A116 V121	V58-V60 HydrophobicContact CG1-CG1 4.27Å; V58-R69 HydrophobicContact CG1-CB 3.89Å; V58-R69 HydrophobicContact CG1-CG 4.35Å; V58-R69 PolarHBondContact N-O 3.25Å; V58-R69 VanDerWaalsContact N-O 3.12Å; V58-R69 PolarHBondContact O-N 2.97Å; V58-F111 HydrophobicContact CB-CB 3.78Å; V58-F111 HydrophobicContact CB-CD1 4.11Å; V58-F111 HydrophobicContact CB-CD2 3.77Å; V58-F111 HydrophobicContact CB-CE2 4.36Å; V58-F111 HydrophobicContact CB-CG 3.63Å; V58-F111 HydrophobicContact CG1-CB 4.26Å; V58-F111 HydrophobicContact CG1-CD1 3.61Å; V58-F111 HydrophobicContact CG1-CD2 3.78Å; V58-F111 HydrophobicContact CG1-CE1 3.75Å; V58-F111 HydrophobicContact CG1-CE2 3.92Å; V58-F111 HydrophobicContact CG1-CG 3.63Å; V58-F111 HydrophobicContact CG1-CZ 3.91Å; V58-F111 HydrophobicContact CG2-CB 4.09Å; V58-F111 HydrophobicContact CG2-CG 4.37Å; V58-A116 HydrophobicContact CG2-CB 3.63Å; V58-V121 HydrophobicContact CG1-CG1 4.28Å
59	N	96.1	Very high	89.3	Confident	69 Å²	69	45 Å²	45	37%	0.369	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.7	167.7	-168.3	-65.8	0	0	0	108.4	N61 G67 D68	N59-N61 PolarHBondContact OD1-N 3.3Å; N59-G67 WeakPolarHBondContact CA-O 3.36Å; N59-D68 PolarHBondContact ND2-OD1 3.12Å
60	V	93.3	Very high	90.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	23%	0.234	C	C	.	.			trans	-108.8	18	-173.9	-53.3	0	0	0	0	114.2	V58 D62 G67 R69 T117 A118 V121	V58-V60 HydrophobicContact CG1-CG1 4.27Å; V60-D62 HydrophobicContact CG2-CB 4.03Å; V60-D62 PolarHBondContact O-N 3.25Å; V60-D62 VanDerWaalsContact O-N 3.11Å; V60-G67 WeakPolarHBondContact CG2-O 3.49Å; V60-G67 PolarHBondContact N-O 2.75Å; V60-R69 HydrophobicContact CG1-CG 3.73Å; V60-R69 HydrophobicContact CG2-CG 4.44Å; V60-T117 WeakPolarHBondContact CB-O 3.24Å; V60-T117 CarbonylContact O-C 3.58Å; V60-A118 HydrophobicContact CG2-CB 4.43Å; V60-A118 PolarHBondContact O-N 2.94Å; V60-A118 VanDerWaalsContact O-N 3.15Å; V60-V121 HydrophobicContact CG1-CG1 3.45Å; V60-V121 VanDerWaalsContact CG1-CG1 3.45Å
61	N	82.5	Confident	91.4	Very high	136 Å²	136	40.8 Å²	40.8	73%	0.727	23%	0.231	S	C	*	.			trans	54	29.8	178.5	-64.8	-30.6	0	0	0	114.5	N59 Q63	N59-N61 PolarHBondContact OD1-N 3.3Å; N61-Q63 PolarHBondContact O-N 3.18Å
62	D	77.6	Confident	91.7	Very high	47 Å²	47	40 Å²	40	25%	0.251	23%	0.226	S	C	.	.			trans	-71	119.8	179	173.2	6	0	0	0	111.4	V60 S64 G65 R69 A118	V60-D62 HydrophobicContact CG2-CB 4.03Å; V60-D62 PolarHBondContact O-N 3.25Å; V60-D62 VanDerWaalsContact O-N 3.11Å; D62-S64 PolarHBondContact O-N 3.25Å; D62-S64 WeakPolarHBondContact OD1-CB 3.46Å; D62-S64 PolarHBondContact OD1-N 2.87Å; D62-S64 PolarHBondContact OD1-OG 3.31Å; D62-S64 PolarHBondContact OD2-OG 3.16Å; D62-G65 PolarHBondContact O-N 3.38Å; D62-R69 IonicContact OD2-NH2 3.08Å; D62-R69 PolarHBondContact OD2-NH2 2.67Å; D62-A118 HydrophobicContact CB-CB 4.37Å
63	Q	73.8	Confident	91.8	Very high	202 Å²	202	38.3 Å²	38.3	94%	0.944	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.4	179.6	-60.2	-179.2	6.4	0	0	113.5	N61 G65	N61-Q63 PolarHBondContact O-N 3.18Å; Q63-G65 PolarHBondContact O-N 2.83Å
64	S	75.6	Confident	91.7	Very high	67 Å²	67	38.4 Å²	38.4	47%	0.469	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-4.6	175.4	82.5	0	0	0	0	115.1	D62 N66	D62-S64 PolarHBondContact O-N 3.25Å; D62-S64 WeakPolarHBondContact OD1-CB 3.46Å; D62-S64 PolarHBondContact OD1-N 2.87Å; D62-S64 PolarHBondContact OD1-OG 3.31Å; D62-S64 PolarHBondContact OD2-OG 3.16Å; S64-N66 PolarHBondContact O-N 3.46Å; S64-N66 PolarHBondContact O-ND2 3.31Å; S64-N66 PolarHBondContact OG-N 3.43Å
65	G	74.8	Confident	91.5	Very high	57 Å²	57	36.4 Å²	36.4	59%	0.588	21%	0.208	S	C	*	.	S	Bend	trans	68.9	11.9	-174.9	0	0	0	0	0	113.9	D62 Q63 R87	D62-G65 PolarHBondContact O-N 3.38Å; Q63-G65 PolarHBondContact O-N 2.83Å; G65-R87 PolarHBondContact O-NH2 3Å
66	N	81.3	Confident	91.3	Very high	43 Å²	43	41.9 Å²	41.9	23%	0.23	23%	0.227	C	C	.	.			trans	-123.1	42.8	174	-63.6	-91.6	0	0	0	110.1	S64 D68 R69 I82 R87	S64-N66 PolarHBondContact O-N 3.46Å; S64-N66 PolarHBondContact O-ND2 3.31Å; S64-N66 PolarHBondContact OG-N 3.43Å; N66-D68 VanDerWaalsContact C-N 3.29Å; N66-D68 PolarHBondContact O-N 2.93Å; N66-R69 PolarHBondContact O-NH1 2.6Å; N66-I82 HydrophobicContact CB-CG2 4.2Å; N66-R87 PolarHBondContact OD1-NH2 2.84Å
67	G	92.6	Very high	91.3	Very high	5 Å²	5	42.7 Å²	42.7	5%	0.052	23%	0.229	C	C	.	.			trans	-69.8	-14.9	-178.4	0	0	0	0	0	115.9	N59 V60 R69	N59-G67 WeakPolarHBondContact CA-O 3.36Å; V60-G67 WeakPolarHBondContact CG2-O 3.49Å; V60-G67 PolarHBondContact N-O 2.75Å; G67-R69 PolarHBondContact O-NH1 3.3Å
68	D	96.6	Very high	91.3	Very high	59 Å²	59	41.6 Å²	41.6	32%	0.316	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.4	179.3	-55.6	-50.9	0	0	0	112.2	N59 N66 Y83	N59-D68 PolarHBondContact ND2-OD1 3.12Å; N66-D68 VanDerWaalsContact C-N 3.29Å; N66-D68 PolarHBondContact O-N 2.93Å; D68-Y83 HydrophobicContact CB-CD1 4.09Å; D68-Y83 HydrophobicContact CB-CG 4.49Å; D68-Y83 PolarHBondContact O-N 2.86Å
69	R	98.1	Very high	91.3	Very high	17 Å²	17	41.6 Å²	41.6	6%	0.064	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.7	174.9	-54.9	-74.1	173.1	-89.7	1.3	108.8	F57 V58 V60 D62 N66 G67 F80 Y81	F57-R69 WeakPolarHBondContact CA-O 3.34Å; V58-R69 HydrophobicContact CG1-CB 3.89Å; V58-R69 HydrophobicContact CG1-CG 4.35Å; V58-R69 PolarHBondContact N-O 3.25Å; V58-R69 VanDerWaalsContact N-O 3.12Å; V58-R69 PolarHBondContact O-N 2.97Å; V60-R69 HydrophobicContact CG1-CG 3.73Å; V60-R69 HydrophobicContact CG2-CG 4.44Å; D62-R69 IonicContact OD2-NH2 3.08Å; D62-R69 PolarHBondContact OD2-NH2 2.67Å; N66-R69 PolarHBondContact O-NH1 2.6Å; G67-R69 PolarHBondContact O-NH1 3.3Å; R69-F80 HydrophobicContact CB-CD2 4.49Å; R69-F80 HydrophobicContact CB-CE2 3.5Å; R69-F80 HydrophobicContact CB-CZ 3.71Å; R69-F80 HydrophobicContact CG-CE2 4.11Å; R69-F80 HydrophobicContact CG-CZ 3.76Å; R69-Y81 WeakPolarHBondContact CA-O 3.49Å
70	I	98.7	Very high	91.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.2	175.2	-175.6	177.4	0	0	0	109.8	Y37 V55 F57 F72 F80 Y81 Y83 I582	Y37-I70 HydrophobicContact CD1-CG2 3.93Å; Y37-I70 HydrophobicContact CE1-CG2 3.85Å; Y37-I70 HydrophobicContact CG-CD1 4.41Å; V55-I70 HydrophobicContact CG1-CD1 3.79Å; V55-I70 HydrophobicContact CG1-CG1 3.78Å; F57-I70 HydrophobicContact CD1-CB 3.93Å; F57-I70 HydrophobicContact CD1-CG1 4.12Å; F57-I70 HydrophobicContact CE1-CB 3.7Å; F57-I70 HydrophobicContact CE1-CD1 3.72Å; F57-I70 HydrophobicContact CE1-CG1 3.64Å; F57-I70 HydrophobicContact CZ-CD1 3.86Å; F57-I70 HydrophobicContact CZ-CG1 4.1Å; I70-F72 HydrophobicContact CD1-CD1 4.26Å; I70-F72 HydrophobicContact CG1-CD1 4.3Å; I70-F80 WeakPolarHBondContact O-CA 3.5Å; I70-Y81 PolarHBondContact N-O 3.44Å; I70-Y81 PolarHBondContact O-N 2.91Å; I70-Y83 HydrophobicContact CB-CD2 4.39Å; I70-Y83 HydrophobicContact CB-CG 4.5Å; I70-Y83 HydrophobicContact CD1-CD2 4.4Å; I70-Y83 HydrophobicContact CG2-CD2 4.38Å; I70-I582 HydrophobicContact CD1-CG2 4.13Å
71	C	98.9	Very high	91.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.5	164.7	-168.8	0	0	0	0	110.6	V55 S56 Y79 F80 F111 L123	V55-C71 WeakPolarHBondContact CA-O 3.38Å; S56-C71 PolarHBondContact N-O 3Å; S56-C71 PolarHBondContact O-N 2.86Å; C71-Y79 VanDerWaalsContact CA-O 3.27Å; C71-Y79 WeakPolarHBondContact CA-O 3.08Å; C71-Y79 PolarHBondContact SG-O 3.46Å; C71-F80 HydrophobicContact CB-CD2 4.22Å; C71-F111 HydrophobicContact CB-CE2 3.73Å; C71-F111 HydrophobicContact CB-CZ 3.66Å; C71-L123 HydrophobicContact CB-CD2 4.24Å
72	F	98.8	Very high	92.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	148.4	173.9	62.6	-92.9	0	0	0	112.1	K54 V55 I70 V74 Y79 Y81 I582	K54-F72 WeakPolarHBondContact O-CA 3.3Å; K54-F72 WeakPolarHBondContact O-CB 3.37Å; V55-F72 HydrophobicContact CG2-CB 3.99Å; I70-F72 HydrophobicContact CD1-CD1 4.26Å; I70-F72 HydrophobicContact CG1-CD1 4.3Å; F72-V74 HydrophobicContact CD2-CG2 3.93Å; F72-V74 HydrophobicContact CE2-CG2 4.12Å; F72-Y79 HydrophobicContact CD2-CD2 4.18Å; F72-Y79 AromaticContact CE2-CD2 3.63Å; F72-Y79 HydrophobicContact CE2-CD2 3.63Å; F72-Y79 HydrophobicContact CE2-CE2 4.4Å; F72-Y79 AromaticContact CE2-CG 3.9Å; F72-Y79 HydrophobicContact CE2-CG 3.9Å; F72-Y79 HydrophobicContact CZ-CD2 4.16Å; F72-Y79 AromaticContact CZ-CG 3.95Å; F72-Y79 HydrophobicContact CZ-CG 3.95Å; F72-Y79 PolarHBondContact N-O 3.19Å; F72-Y79 PolarHBondContact O-N 3.17Å; F72-Y81 AromaticContact CE1-CD2 3.8Å; F72-Y81 HydrophobicContact CE1-CD2 3.8Å; F72-Y81 AromaticContact CE1-CE2 3.85Å; F72-Y81 HydrophobicContact CE1-CE2 3.85Å; F72-Y81 HydrophobicContact CZ-CD2 4.31Å; F72-Y81 AromaticContact CZ-CE2 3.86Å; F72-Y81 HydrophobicContact CZ-CE2 3.86Å; F72-I582 HydrophobicContact CB-CD1 4.19Å; F72-I582 HydrophobicContact CB-CG1 4.44Å; F72-I582 HydrophobicContact CD1-CD1 4.03Å; F72-I582 HydrophobicContact CD2-CD1 3.63Å; F72-I582 HydrophobicContact CE1-CD1 4.28Å; F72-I582 HydrophobicContact CE2-CD1 3.91Å; F72-I582 HydrophobicContact CG-CD1 3.7Å; F72-I582 HydrophobicContact CG-CG1 4.36Å; F72-I582 HydrophobicContact CZ-CD1 4.23Å
73	N	98.5	Very high	93.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.8	175.2	71	-57	0	0	0	112.2	P52 K54 E77 L78 P106	P52-N73 PolarHBondContact O-ND2 3.27Å; K54-N73 PolarHBondContact N-OD1 3.06Å; K54-N73 PolarHBondContact O-N 3.04Å; K54-N73 PolarHBondContact O-OD1 3.32Å; N73-E77 CarbonylContact C-O 3.54Å; N73-E77 WeakPolarHBondContact CA-O 3.43Å; N73-L78 HydrophobicContact CB-CD1 4.09Å; N73-P106 HydrophobicContact CB-CB 3.83Å; N73-P106 HydrophobicContact CB-CG 4.39Å; N73-P106 PolarHBondContact ND2-O 3.33Å
74	V	96.6	Very high	94.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	95.9	171.2	-172.4	0	0	0	0	109.1	R39 F45 F72 R76 E77	R39-V74 HydrophobicContact CG-CB 4.08Å; R39-V74 HydrophobicContact CG-CG1 4.05Å; R39-V74 HydrophobicContact CG-CG2 4.03Å; F45-V74 HydrophobicContact CB-CG1 3.48Å; F45-V74 VanDerWaalsContact CB-CG1 3.48Å; F45-V74 HydrophobicContact CD1-CG1 3.77Å; F45-V74 HydrophobicContact CD2-CG1 3.84Å; F45-V74 HydrophobicContact CE1-CG1 4.47Å; F45-V74 HydrophobicContact CG-CG1 3.4Å; F45-V74 VanDerWaalsContact CG-CG1 3.4Å; F72-V74 HydrophobicContact CD2-CG2 3.93Å; F72-V74 HydrophobicContact CE2-CG2 4.12Å; V74-R76 PolarHBondContact O-N 2.82Å; V74-E77 PolarHBondContact N-O 3.18Å; V74-E77 PolarHBondContact O-N 3.16Å
75	G	94.1	Very high	95.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-97.3	-177.7	0	0	0	0	0	113.1	Q105	G75-Q105 WeakPolarHBondContact O-CB 3.34Å; G75-Q105 WeakPolarHBondContact O-CG 3.48Å; G75-Q105 PolarHBondContact O-OE1 3.04Å
76	R	95.2	Very high	96.3	Very high	124 Å²	124	20.7 Å²	20.7	47%	0.468	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-10.8	178.3	-70.8	177.1	179.5	-130.3	-4.7	113.8	V74 Y101 K102 Q105	V74-R76 PolarHBondContact O-N 2.82Å; R76-Y101 WeakPolarHBondContact CB-O 3.39Å; R76-Y101 WeakPolarHBondContact CG-O 3.24Å; R76-Y101 PolarHBondContact O-N 3.18Å; R76-K102 PolarHBondContact NH1-O 2.58Å; R76-Q105 HydrophobicContact CG-CG 3.73Å
77	E	97.2	Very high	96.9	Very high	35 Å²	35	22.5 Å²	22.5	16%	0.164	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.1	-176.8	-54	-168.3	121.9	0	0	110.9	R39 N73 V74 Y79 K98 R99	R39-E77 VanDerWaalsContact CD-OE2 3.22Å; R39-E77 WeakPolarHBondContact CD-OE2 3.45Å; N73-E77 CarbonylContact C-O 3.54Å; N73-E77 WeakPolarHBondContact CA-O 3.43Å; V74-E77 PolarHBondContact N-O 3.18Å; V74-E77 PolarHBondContact O-N 3.16Å; E77-Y79 HydrophobicContact CB-CD2 4.22Å; E77-Y79 HydrophobicContact CB-CE2 3.51Å; E77-Y79 HydrophobicContact CG-CE2 4.4Å; E77-Y79 PolarHBondContact OE1-OH 2.9Å; E77-Y79 WeakPolarHBondContact OE2-CE2 3.08Å; E77-Y79 PolarHBondContact OE2-OH 3.36Å; E77-K98 WeakPolarHBondContact OE1-CE 3.19Å; E77-K98 IonicContact OE1-NZ 2.77Å; E77-K98 PolarHBondContact OE1-NZ 3.07Å; E77-K98 IonicContact OE2-NZ 2.97Å; E77-R99 WeakPolarHBondContact CA-O 3.26Å
78	L	98.5	Very high	97.1	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.8	172.1	-175.7	74.2	0	0	0	108.1	N73 K98 R99 Y101 V125 I135	N73-L78 HydrophobicContact CB-CD1 4.09Å; L78-K98 WeakPolarHBondContact O-CA 3.22Å; L78-R99 HydrophobicContact CB-CB 4.36Å; L78-R99 PolarHBondContact N-O 3.35Å; L78-R99 PolarHBondContact O-N 2.94Å; L78-Y101 HydrophobicContact CB-CE2 3.93Å; L78-Y101 HydrophobicContact CD2-CE2 4.22Å; L78-V125 HydrophobicContact CD2-CG2 3.89Å; L78-I135 HydrophobicContact CD2-CD1 3.8Å
79	Y	98.8	Very high	97.1	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.4	-175.8	-69.9	-91.2	0	0	0	111.4	R39 P40 C71 F72 E77 Y81 K98	R39-Y79 HydrophobicContact CG-CE2 4.04Å; P40-Y79 VanDerWaalsContact CD-CE1 3.44Å; P40-Y79 VanDerWaalsContact CD-OH 3.23Å; P40-Y79 WeakPolarHBondContact CD-OH 3.49Å; P40-Y79 HydrophobicContact CG-CE1 3.8Å; C71-Y79 VanDerWaalsContact CA-O 3.27Å; C71-Y79 WeakPolarHBondContact CA-O 3.08Å; C71-Y79 PolarHBondContact SG-O 3.46Å; F72-Y79 HydrophobicContact CD2-CD2 4.18Å; F72-Y79 AromaticContact CE2-CD2 3.63Å; F72-Y79 HydrophobicContact CE2-CD2 3.63Å; F72-Y79 HydrophobicContact CE2-CE2 4.4Å; F72-Y79 AromaticContact CE2-CG 3.9Å; F72-Y79 HydrophobicContact CE2-CG 3.9Å; F72-Y79 HydrophobicContact CZ-CD2 4.16Å; F72-Y79 AromaticContact CZ-CG 3.95Å; F72-Y79 HydrophobicContact CZ-CG 3.95Å; F72-Y79 PolarHBondContact N-O 3.19Å; F72-Y79 PolarHBondContact O-N 3.17Å; E77-Y79 HydrophobicContact CB-CD2 4.22Å; E77-Y79 HydrophobicContact CB-CE2 3.51Å; E77-Y79 HydrophobicContact CG-CE2 4.4Å; E77-Y79 PolarHBondContact OE1-OH 2.9Å; E77-Y79 WeakPolarHBondContact OE2-CE2 3.08Å; E77-Y79 PolarHBondContact OE2-OH 3.36Å; Y79-Y81 AromaticContact CD1-CE2 3.84Å; Y79-Y81 HydrophobicContact CD1-CE2 3.84Å; Y79-Y81 HydrophobicContact CG-CE2 4.15Å; Y79-K98 HydrophobicContact CD1-CD 4.2Å; Y79-K98 HydrophobicContact CD1-CG 4.13Å; Y79-K98 HydrophobicContact CE1-CD 3.57Å; Y79-K98 HydrophobicContact CE1-CG 3.97Å; Y79-K98 WeakPolarHBondContact OH-CE 3.39Å; Y79-K98 PolarHBondContact OH-NZ 3.15Å
80	F	98.6	Very high	97.1	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.013	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.7	174.1	-176.7	-119.5	0	0	0	110.4	R69 I70 C71 I96 D97 F111 V121 P137 I138	R69-F80 HydrophobicContact CB-CD2 4.49Å; R69-F80 HydrophobicContact CB-CE2 3.5Å; R69-F80 HydrophobicContact CB-CZ 3.71Å; R69-F80 HydrophobicContact CG-CE2 4.11Å; R69-F80 HydrophobicContact CG-CZ 3.76Å; I70-F80 WeakPolarHBondContact O-CA 3.5Å; C71-F80 HydrophobicContact CB-CD2 4.22Å; F80-I96 HydrophobicContact CD1-CB 3.62Å; F80-I96 HydrophobicContact CD1-CD1 4.02Å; F80-I96 HydrophobicContact CD1-CG1 4.41Å; F80-I96 HydrophobicContact CD1-CG2 3.67Å; F80-I96 HydrophobicContact CE1-CB 4.13Å; F80-I96 HydrophobicContact CE1-CD1 3.85Å; F80-I96 HydrophobicContact CE1-CG2 3.84Å; F80-I96 PolarHBondContact O-N 3.42Å; F80-D97 HydrophobicContact CB-CB 4.21Å; F80-D97 PolarHBondContact N-O 2.76Å; F80-D97 PolarHBondContact O-N 3.36Å; F80-F111 HydrophobicContact CD2-CE1 4.49Å; F80-F111 AromaticContact CD2-CZ 3.91Å; F80-F111 HydrophobicContact CD2-CZ 3.91Å; F80-F111 AromaticContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE1 3.87Å; F80-F111 AromaticContact CE2-CZ 3.53Å; F80-F111 HydrophobicContact CE2-CZ 3.53Å; F80-V121 HydrophobicContact CE2-CG2 4.49Å; F80-V121 HydrophobicContact CZ-CG2 3.94Å; F80-P137 HydrophobicContact CB-CB 4.17Å; F80-P137 HydrophobicContact CD1-CB 3.51Å; F80-P137 HydrophobicContact CD1-CG 3.64Å; F80-P137 HydrophobicContact CD2-CB 4.5Å; F80-P137 HydrophobicContact CD2-CG 4.1Å; F80-P137 HydrophobicContact CE1-CB 3.94Å; F80-P137 HydrophobicContact CE1-CG 3.61Å; F80-P137 HydrophobicContact CE2-CG 4.03Å; F80-P137 HydrophobicContact CG-CB 3.84Å; F80-P137 HydrophobicContact CG-CG 3.9Å; F80-P137 HydrophobicContact CZ-CG 3.8Å; F80-I138 HydrophobicContact CE1-CG1 3.76Å; F80-I138 HydrophobicContact CZ-CG1 4.17Å
81	Y	98.5	Very high	97	Very high	2 Å²	2	32 Å²	32	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.1	-176.9	-67.2	-90.8	0	0	0	111.8	Y37 R69 I70 F72 Y79 Y83 A90 L92 P95	Y37-Y81 HydrophobicContact CD1-CD2 4.28Å; Y37-Y81 HydrophobicContact CD1-CG 4.31Å; Y37-Y81 HydrophobicContact CE1-CG 4.26Å; R69-Y81 WeakPolarHBondContact CA-O 3.49Å; I70-Y81 PolarHBondContact N-O 3.44Å; I70-Y81 PolarHBondContact O-N 2.91Å; F72-Y81 AromaticContact CE1-CD2 3.8Å; F72-Y81 HydrophobicContact CE1-CD2 3.8Å; F72-Y81 AromaticContact CE1-CE2 3.85Å; F72-Y81 HydrophobicContact CE1-CE2 3.85Å; F72-Y81 HydrophobicContact CZ-CD2 4.31Å; F72-Y81 AromaticContact CZ-CE2 3.86Å; F72-Y81 HydrophobicContact CZ-CE2 3.86Å; Y79-Y81 AromaticContact CD1-CE2 3.84Å; Y79-Y81 HydrophobicContact CD1-CE2 3.84Å; Y79-Y81 HydrophobicContact CG-CE2 4.15Å; Y81-Y83 PolarHBondContact O-N 2.94Å; Y81-A90 HydrophobicContact CD1-CB 4.31Å; Y81-L92 HydrophobicContact CE1-CD2 4.26Å; Y81-L92 PolarHBondContact OH-O 2.94Å; Y81-P95 HydrophobicContact CD1-CB 4.2Å; Y81-P95 HydrophobicContact CE1-CB 3.71Å; Y81-P95 HydrophobicContact CE1-CG 4.5Å; Y81-P95 HydrophobicContact CE2-CB 4.21Å
82	I	97.4	Very high	96.9	Very high	54 Å²	54	32.6 Å²	32.6	28%	0.277	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.6	158.3	-56.1	-177.5	0	0	0	108.1	Y37 N66 K84 A90 I96	Y37-I82 WeakPolarHBondContact CE1-O 3.48Å; Y37-I82 PolarHBondContact OH-O 2.98Å; N66-I82 HydrophobicContact CB-CG2 4.2Å; I82-K84 HydrophobicContact CG2-CG 4.19Å; I82-A90 WeakPolarHBondContact O-CB 3.31Å; I82-I96 HydrophobicContact CG1-CD1 3.88Å
83	Y	97.5	Very high	96.9	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.02	18%	0.178	C	C	.	.			trans	-86.3	142.4	168.3	-174.6	-120.8	0	0	0	110	Y37 F57 D68 I70 Y81 L569 C572 V574 T584	Y37-Y83 HydrophobicContact CD2-CD2 4.32Å; Y37-Y83 HydrophobicContact CD2-CE2 4.43Å; Y37-Y83 AromaticContact CE2-CD2 3.74Å; Y37-Y83 HydrophobicContact CE2-CD2 3.74Å; Y37-Y83 HydrophobicContact CE2-CE2 4.05Å; Y37-Y83 WeakPolarHBondContact OH-CA 3.36Å; F57-Y83 HydrophobicContact CD1-CD1 4.07Å; F57-Y83 HydrophobicContact CD1-CG 4.1Å; F57-Y83 AromaticContact CE1-CD1 3.7Å; F57-Y83 HydrophobicContact CE1-CD1 3.7Å; F57-Y83 AromaticContact CE1-CD2 3.68Å; F57-Y83 HydrophobicContact CE1-CD2 3.68Å; F57-Y83 AromaticContact CE1-CE1 3.88Å; F57-Y83 HydrophobicContact CE1-CE1 3.88Å; F57-Y83 AromaticContact CE1-CE2 3.87Å; F57-Y83 HydrophobicContact CE1-CE2 3.87Å; F57-Y83 AromaticContact CE1-CG 3.58Å; F57-Y83 HydrophobicContact CE1-CG 3.58Å; F57-Y83 AromaticContact CE1-CZ 3.96Å; F57-Y83 HydrophobicContact CZ-CD2 4.44Å; F57-Y83 HydrophobicContact CZ-CE1 4.4Å; F57-Y83 HydrophobicContact CZ-CE2 4.22Å; D68-Y83 HydrophobicContact CB-CD1 4.09Å; D68-Y83 HydrophobicContact CB-CG 4.49Å; D68-Y83 PolarHBondContact O-N 2.86Å; I70-Y83 HydrophobicContact CB-CD2 4.39Å; I70-Y83 HydrophobicContact CB-CG 4.5Å; I70-Y83 HydrophobicContact CD1-CD2 4.4Å; I70-Y83 HydrophobicContact CG2-CD2 4.38Å; Y81-Y83 PolarHBondContact O-N 2.94Å; Y83-L569 HydrophobicContact CE1-CD1 3.65Å; Y83-C572 PolarHBondContact OH-SG 2.83Å; Y83-C572 VanDerWaalsContact OH-SG 3.36Å; Y83-V574 WeakPolarHBondContact OH-CG2 3.32Å; Y83-T584 WeakPolarHBondContact OH-CG2 3.35Å
84	K	95.9	Very high	96.8	Very high	66 Å²	66	43.4 Å²	43.4	29%	0.287	21%	0.208	S	C	.	.			trans	-123.5	10	-174.7	-70.5	-167.6	162.3	-173.8	0	114	Y37 I82 V86 R87 K88	Y37-K84 PolarHBondContact OH-N 2.88Å; I82-K84 HydrophobicContact CG2-CG 4.19Å; K84-V86 PolarHBondContact O-N 3.4Å; K84-R87 HydrophobicContact CB-CB 4.27Å; K84-R87 VanDerWaalsContact O-CB 3.24Å; K84-R87 WeakPolarHBondContact O-CB 3.16Å; K84-R87 WeakPolarHBondContact O-CG 3.33Å; K84-R87 PolarHBondContact O-N 3.01Å; K84-K88 VanDerWaalsContact CD-O 3.23Å; K84-K88 WeakPolarHBondContact CD-O 3.39Å
85	G	95.1	Very high	96.9	Very high	5 Å²	5	45.1 Å²	45.1	5%	0.052	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	-132.8	-179.4	0	0	0	0	0	111.7	S35 R87	S35-G85 WeakPolarHBondContact CB-O 3.2Å; S35-G85 PolarHBondContact OG-O 2.96Å; G85-R87 PolarHBondContact O-N 3.2Å
86	V	95.6	Very high	97	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.03	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.2	179.4	-61.1	0	0	0	0	114.7	L32 H34 S35 K84 D571 C572 A586	L32-V86 HydrophobicContact CD1-CB 3.61Å; L32-V86 HydrophobicContact CD1-CG1 3.91Å; L32-V86 WeakPolarHBondContact CD1-O 3.38Å; H34-V86 PolarHBondContact NE2-O 3.09Å; S35-V86 PolarHBondContact OG-O 2.88Å; K84-V86 PolarHBondContact O-N 3.4Å; V86-D571 HydrophobicContact CG1-CB 4.06Å; V86-C572 HydrophobicContact CG1-CB 4.07Å; V86-A586 HydrophobicContact CB-CB 4.44Å; V86-A586 HydrophobicContact CG1-CB 3.6Å
87	R	94.6	Very high	97.2	Very high	81 Å²	81	42.5 Å²	42.5	31%	0.306	21%	0.214	S	C	.	.	S	Bend	trans	-78.4	167.1	174.5	-47.3	-171.8	-72.9	-87.1	14.8	110	S35 G65 N66 K84 G85 A89 L594	S35-R87 PolarHBondContact OG-O 3.25Å; G65-R87 PolarHBondContact O-NH2 3Å; N66-R87 PolarHBondContact OD1-NH2 2.84Å; K84-R87 HydrophobicContact CB-CB 4.27Å; K84-R87 VanDerWaalsContact O-CB 3.24Å; K84-R87 WeakPolarHBondContact O-CB 3.16Å; K84-R87 WeakPolarHBondContact O-CG 3.33Å; K84-R87 PolarHBondContact O-N 3.01Å; G85-R87 PolarHBondContact O-N 3.2Å; R87-A89 PolarHBondContact O-N 2.9Å; R87-L594 HydrophobicContact CG-CD2 4.02Å
88	K	96.4	Very high	97.2	Very high	168 Å²	168	44.6 Å²	44.6	73%	0.73	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-54.6	130.2	173	-174.6	175.6	178.3	178.3	0	110.3	H34 K84	H34-K88 WeakPolarHBondContact O-CA 3.34Å; K84-K88 VanDerWaalsContact CD-O 3.23Å; K84-K88 WeakPolarHBondContact CD-O 3.39Å
89	A	97	Very high	97.2	Very high	17 Å²	17	46.3 Å²	46.3	14%	0.14	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-55.2	160.8	-179	0	0	0	0	0	112.6	H34 Y37 R87	H34-A89 PolarHBondContact O-N 3.24Å; Y37-A89 HydrophobicContact CD2-CB 4.08Å; Y37-A89 HydrophobicContact CE1-CB 4.49Å; Y37-A89 HydrophobicContact CE2-CB 3.59Å; R87-A89 PolarHBondContact O-N 2.9Å
90	A	96.8	Very high	97.1	Very high	17 Å²	17	51.1 Å²	51.1	14%	0.14	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-59	158.1	169.6	0	0	0	0	0	111.5	Y37 Y81 I82 L92	Y37-A90 HydrophobicContact CE1-CB 4.07Å; Y37-A90 PolarHBondContact OH-N 3.05Å; Y37-A90 VanDerWaalsContact OH-N 3.15Å; Y81-A90 HydrophobicContact CD1-CB 4.31Å; I82-A90 WeakPolarHBondContact O-CB 3.31Å; A90-L92 PolarHBondContact O-N 3.32Å
91	D	97.4	Very high	97	Very high	78 Å²	78	52.5 Å²	52.5	42%	0.417	26%	0.259	S	S	.	.			trans	-64.4	105	174.6	-179.3	-8.2	0	0	0	109.6	S93 K94	D91-S93 PolarHBondContact O-N 3.34Å; D91-S93 VanDerWaalsContact O-N 3.08Å; D91-S93 WeakPolarHBondContact OD1-CB 3.41Å; D91-S93 PolarHBondContact OD1-N 3.46Å; D91-S93 PolarHBondContact OD1-OG 3.49Å; D91-S93 PolarHBondContact OD2-OG 2.92Å; D91-K94 HydrophobicContact CB-CB 4.47Å; D91-K94 CarbonylContact O-C 3.56Å; D91-K94 PolarHBondContact O-N 3.49Å; D91-K94 WeakPolarHBondContact OD2-CD 3.41Å; D91-K94 WeakPolarHBondContact OD2-CE 3.31Å; D91-K94 IonicContact OD2-NZ 2.71Å; D91-K94 PolarHBondContact OD2-NZ 2.88Å
92	L	97.7	Very high	96.6	Very high	14 Å²	14	61.3 Å²	61.3	7%	0.073	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20	-176.7	-59.5	-176.7	0	0	0	112.6	Y37 P40 Y81 A90 K94	Y37-L92 HydrophobicContact CD1-CD2 3.88Å; Y37-L92 HydrophobicContact CE1-CD2 4.48Å; Y37-L92 HydrophobicContact CG-CD2 4.36Å; P40-L92 WeakPolarHBondContact CB-O 3.42Å; P40-L92 VanDerWaalsContact CG-O 3.31Å; P40-L92 WeakPolarHBondContact CG-O 3.33Å; Y81-L92 HydrophobicContact CE1-CD2 4.26Å; Y81-L92 PolarHBondContact OH-O 2.94Å; A90-L92 PolarHBondContact O-N 3.32Å; L92-K94 PolarHBondContact O-N 3.38Å
93	S	97.6	Very high	96.2	Very high	80 Å²	80	62.3 Å²	62.3	56%	0.559	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.7	173	72.5	0	0	0	0	113.7	D91 P95	D91-S93 PolarHBondContact O-N 3.34Å; D91-S93 VanDerWaalsContact O-N 3.08Å; D91-S93 WeakPolarHBondContact OD1-CB 3.41Å; D91-S93 PolarHBondContact OD1-N 3.46Å; D91-S93 PolarHBondContact OD1-OG 3.49Å; D91-S93 PolarHBondContact OD2-OG 2.92Å; S93-P95 WeakPolarHBondContact O-CD 3.43Å
94	K	97.6	Very high	96	Very high	147 Å²	147	63.5 Å²	63.5	64%	0.639	33%	0.329	S	S	*	.	S	Bend	trans	-126.8	70.5	-174	-61.8	176.7	-170	117.2	0	111.8	D91 L92	D91-K94 HydrophobicContact CB-CB 4.47Å; D91-K94 CarbonylContact O-C 3.56Å; D91-K94 PolarHBondContact O-N 3.49Å; D91-K94 WeakPolarHBondContact OD2-CD 3.41Å; D91-K94 WeakPolarHBondContact OD2-CE 3.31Å; D91-K94 IonicContact OD2-NZ 2.71Å; D91-K94 PolarHBondContact OD2-NZ 2.88Å; L92-K94 PolarHBondContact O-N 3.38Å
95	P	97.6	Very high	96	Very high	38 Å²	38	62.6 Å²	62.6	25%	0.247	33%	0.326	C	S	.	.			trans	-60.6	150.6	167.8	26.9	-33.4	0	0	0	111.4	Y81 S93 K98	Y81-P95 HydrophobicContact CD1-CB 4.2Å; Y81-P95 HydrophobicContact CE1-CB 3.71Å; Y81-P95 HydrophobicContact CE1-CG 4.5Å; Y81-P95 HydrophobicContact CE2-CB 4.21Å; S93-P95 WeakPolarHBondContact O-CD 3.43Å; P95-K98 HydrophobicContact CB-CB 4.45Å; P95-K98 HydrophobicContact CG-CB 4Å
96	I	97.1	Very high	96.2	Very high	49 Å²	49	62.4 Å²	62.4	25%	0.251	32%	0.324	S	S	.	.	S	Bend	trans	-65	-49.9	168.1	-59.2	169.9	0	0	0	108.1	F80 I82 K140	F80-I96 HydrophobicContact CD1-CB 3.62Å; F80-I96 HydrophobicContact CD1-CD1 4.02Å; F80-I96 HydrophobicContact CD1-CG1 4.41Å; F80-I96 HydrophobicContact CD1-CG2 3.67Å; F80-I96 HydrophobicContact CE1-CB 4.13Å; F80-I96 HydrophobicContact CE1-CD1 3.85Å; F80-I96 HydrophobicContact CE1-CG2 3.84Å; F80-I96 PolarHBondContact O-N 3.42Å; I82-I96 HydrophobicContact CG1-CD1 3.88Å; I96-K140 WeakPolarHBondContact O-CE 3.4Å; I96-K140 PolarHBondContact O-NZ 2.8Å
97	D	98.2	Very high	96.3	Very high	21 Å²	21	62.5 Å²	62.5	11%	0.112	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.8	170.5	-163.9	21	0	0	0	111.8	F80 R99 P137	F80-D97 HydrophobicContact CB-CB 4.21Å; F80-D97 PolarHBondContact N-O 2.76Å; F80-D97 PolarHBondContact O-N 3.36Å; D97-R99 IonicContact OD2-CZ 2.66Å; D97-R99 IonicContact OD2-NE 3.43Å; D97-R99 PolarHBondContact OD2-NE 3.02Å; D97-R99 IonicContact OD2-NH2 2.91Å; D97-R99 PolarHBondContact OD2-NH2 2.8Å; D97-P137 HydrophobicContact CB-CB 3.8Å; D97-P137 WeakPolarHBondContact CB-O 3.46Å
98	K	97.8	Very high	96.5	Very high	78 Å²	78	59 Å²	59	34%	0.339	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	123	173.4	-179.7	-177.5	176.8	170.2	0	109.9	E77 L78 Y79 P95	E77-K98 WeakPolarHBondContact OE1-CE 3.19Å; E77-K98 IonicContact OE1-NZ 2.77Å; E77-K98 PolarHBondContact OE1-NZ 3.07Å; E77-K98 IonicContact OE2-NZ 2.97Å; L78-K98 WeakPolarHBondContact O-CA 3.22Å; Y79-K98 HydrophobicContact CD1-CD 4.2Å; Y79-K98 HydrophobicContact CD1-CG 4.13Å; Y79-K98 HydrophobicContact CE1-CD 3.57Å; Y79-K98 HydrophobicContact CE1-CG 3.97Å; Y79-K98 WeakPolarHBondContact OH-CE 3.39Å; Y79-K98 PolarHBondContact OH-NZ 3.15Å; P95-K98 HydrophobicContact CB-CB 4.45Å; P95-K98 HydrophobicContact CG-CB 4Å
99	R	97.4	Very high	96.6	Very high	41 Å²	41	51.4 Å²	51.4	16%	0.155	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.8	176	-55.3	-169.7	-175.4	-149.6	-1.8	110.8	E77 L78 D97 Y101 I135 D136	E77-R99 WeakPolarHBondContact CA-O 3.26Å; L78-R99 HydrophobicContact CB-CB 4.36Å; L78-R99 PolarHBondContact N-O 3.35Å; L78-R99 PolarHBondContact O-N 2.94Å; D97-R99 IonicContact OD2-CZ 2.66Å; D97-R99 IonicContact OD2-NE 3.43Å; D97-R99 PolarHBondContact OD2-NE 3.02Å; D97-R99 IonicContact OD2-NH2 2.91Å; D97-R99 PolarHBondContact OD2-NH2 2.8Å; R99-Y101 HydrophobicContact CB-CE2 3.85Å; R99-I135 VanDerWaalsContact NH1-CG2 3.27Å; R99-D136 PolarHBondContact NH2-O 2.69Å
100	I	97.2	Very high	96.7	Very high	105 Å²	105	51 Å²	51	54%	0.538	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	112.7	-179.8	-55.8	178.8	0	0	0	108.9
101	Y	96	Very high	96.8	Very high	32 Å²	32	50.3 Å²	50.3	13%	0.125	27%	0.269	C	S	.	.			trans	-93	115.7	-174.8	-63.1	-85.7	0	0	0	111.1	R76 L78 R99 T104 P106 F127 Q133	R76-Y101 WeakPolarHBondContact CB-O 3.39Å; R76-Y101 WeakPolarHBondContact CG-O 3.24Å; R76-Y101 PolarHBondContact O-N 3.18Å; L78-Y101 HydrophobicContact CB-CE2 3.93Å; L78-Y101 HydrophobicContact CD2-CE2 4.22Å; R99-Y101 HydrophobicContact CB-CE2 3.85Å; Y101-T104 WeakPolarHBondContact CB-O 3.24Å; Y101-P106 HydrophobicContact CD2-CG 3.76Å; Y101-P106 HydrophobicContact CE2-CG 3.94Å; Y101-F127 AromaticContact CD1-CE1 3.57Å; Y101-F127 HydrophobicContact CD1-CE1 3.57Å; Y101-F127 AromaticContact CD1-CZ 3.92Å; Y101-F127 HydrophobicContact CD1-CZ 3.92Å; Y101-F127 HydrophobicContact CD2-CE1 4.09Å; Y101-F127 AromaticContact CE1-CE1 3.59Å; Y101-F127 HydrophobicContact CE1-CE1 3.59Å; Y101-F127 AromaticContact CE1-CZ 3.42Å; Y101-F127 HydrophobicContact CE1-CZ 3.42Å; Y101-F127 VanDerWaalsContact CE1-CZ 3.42Å; Y101-F127 HydrophobicContact CE2-CE1 4.11Å; Y101-F127 HydrophobicContact CE2-CZ 4.23Å; Y101-F127 AromaticContact CG-CE1 3.83Å; Y101-F127 HydrophobicContact CG-CE1 3.83Å; Y101-F127 HydrophobicContact CG-CZ 4.5Å; Y101-F127 AromaticContact CZ-CE1 3.87Å; Y101-F127 AromaticContact CZ-CZ 3.6Å; Y101-Q133 VanDerWaalsContact CE1-OE1 3.28Å; Y101-Q133 PolarHBondContact OH-OE1 3.22Å
102	K	92	Very high	96.9	Very high	186 Å²	186	46.9 Å²	46.9	81%	0.809	25%	0.25	S	S	*	.	S	Bend	trans	-82.7	-28.6	-174	-67.6	-177.9	-179.6	176.8	0	114.3	R76	R76-K102 PolarHBondContact NH1-O 2.58Å
103	G	88.3	Confident	96.8	Very high	76 Å²	76	52.1 Å²	52.1	78%	0.784	27%	0.274	S	S	*	.	S	Bend	trans	-101.8	-60.9	-175.6	0	0	0	0	0	114.1
104	T	93.1	Very high	96.8	Very high	29 Å²	29	53.1 Å²	53.1	18%	0.178	27%	0.273	C	S	.	.	S	Bend	trans	-107.4	169.6	178.5	-174	0	0	0	0	111.3	Y101 F127 S128 A129	Y101-T104 WeakPolarHBondContact CB-O 3.24Å; T104-F127 HydrophobicContact CG2-CB 3.87Å; T104-F127 HydrophobicContact CG2-CD1 3.58Å; T104-F127 HydrophobicContact CG2-CE1 4.38Å; T104-F127 HydrophobicContact CG2-CG 3.88Å; T104-S128 PolarHBondContact OG1-N 2.62Å; T104-S128 PolarHBondContact OG1-OG 3.34Å; T104-A129 PolarHBondContact OG1-N 2.79Å
105	Q	95.8	Very high	96.7	Very high	48 Å²	48	47.9 Å²	47.9	22%	0.224	25%	0.253	C	S	.	.			trans	-121.9	135.9	-176.4	-74.6	177.8	80.4	0	0	110.2	N51 G75 R76 F127 S128	N51-Q105 VanDerWaalsContact ND2-CB 3.32Å; N51-Q105 WeakPolarHBondContact ND2-CB 3.2Å; N51-Q105 PolarHBondContact ND2-O 3.48Å; N51-Q105 VanDerWaalsContact ND2-O 3.14Å; G75-Q105 WeakPolarHBondContact O-CB 3.34Å; G75-Q105 WeakPolarHBondContact O-CG 3.48Å; G75-Q105 PolarHBondContact O-OE1 3.04Å; R76-Q105 HydrophobicContact CG-CG 3.73Å; Q105-F127 WeakPolarHBondContact O-CA 3.31Å; Q105-S128 PolarHBondContact N-OG 3.12Å; Q105-S128 PolarHBondContact O-N 2.7Å
106	P	98.3	Very high	96.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	142.7	170.4	-25.2	33.6	0	0	0	112.3	N51 N73 Y101 V125 G126 F127	N51-P106 WeakPolarHBondContact CB-O 3.43Å; N51-P106 PolarHBondContact ND2-O 2.89Å; N73-P106 HydrophobicContact CB-CB 3.83Å; N73-P106 HydrophobicContact CB-CG 4.39Å; N73-P106 PolarHBondContact ND2-O 3.33Å; Y101-P106 HydrophobicContact CD2-CG 3.76Å; Y101-P106 HydrophobicContact CE2-CG 3.94Å; P106-V125 HydrophobicContact CB-CG1 3.86Å; P106-V125 HydrophobicContact CG-CG1 4.17Å; P106-G126 CarbonylContact C-O 3.49Å; P106-G126 WeakPolarHBondContact CA-O 3.42Å; P106-F127 HydrophobicContact CB-CE1 4.43Å; P106-F127 HydrophobicContact CG-CD1 4.35Å; P106-F127 HydrophobicContact CG-CE1 3.81Å
107	T	98.6	Very high	96.6	Very high	8 Å²	8	46.9 Å²	46.9	5%	0.049	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-37.7	-179.6	50.3	0	0	0	0	112.4	N51 G126 V157	N51-T107 VanDerWaalsContact ND2-CG2 3.32Å; N51-T107 WeakPolarHBondContact ND2-CG2 3.29Å; T107-G126 PolarHBondContact N-O 3.05Å; T107-G126 PolarHBondContact OG1-O 2.98Å; T107-V157 WeakPolarHBondContact CB-O 3.36Å; T107-V157 PolarHBondContact OG1-O 2.94Å; T107-V157 VanDerWaalsContact OG1-O 3.14Å
108	C	98.8	Very high	96.4	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.054	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	162.4	-176.7	53.8	0	0	0	0	108.7	G126	C108-G126 PolarHBondContact O-N 3.08Å
109	H	98.9	Very high	96.1	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	153.8	-179.6	48.2	32.5	0	0	0	111.9	S56 L123 L124 V125	S56-H109 PolarHBondContact OG-CE1 2.71Å; S56-H109 PolarHBondContact OG-ND1 3.48Å; S56-H109 PolarHBondContact OG-O 2.9Å; H109-L123 HydrophobicContact CB-CD1 4.12Å; H109-L124 CarbonylContact C-O 3.38Å; H109-L124 WeakPolarHBondContact CA-O 3.46Å; H109-L124 WeakPolarHBondContact CB-O 3.41Å; H109-V125 HydrophobicContact CB-CG2 4.23Å
110	D	98.9	Very high	96.1	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	138.7	-175.2	-158.9	51.2	0	0	0	113.3	L124 V160 K161 W162	D110-L124 PolarHBondContact N-O 2.73Å; D110-L124 PolarHBondContact O-N 2.8Å; D110-V160 HydrophobicContact CB-CG2 4.22Å; D110-K161 HydrophobicContact CB-CD 4.2Å; D110-K161 WeakPolarHBondContact OD1-CD 3.45Å; D110-K161 IonicContact OD1-NZ 2.8Å; D110-K161 PolarHBondContact OD1-NZ 3.15Å; D110-K161 WeakPolarHBondContact OD2-CA 3.39Å; D110-K161 WeakPolarHBondContact OD2-CD 3.49Å; D110-K161 IonicContact OD2-NZ 2.73Å; D110-W162 PolarHBondContact O-NE1 3.39Å; D110-W162 VanDerWaalsContact O-NE1 3.12Å; D110-W162 PolarHBondContact OD2-N 2.98Å
111	F	98.8	Very high	96.1	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	142.7	177.7	-75.3	-74.1	0	0	0	111.2	V58 C71 F80 H113 V121 S122 L123 W162	V58-F111 HydrophobicContact CB-CB 3.78Å; V58-F111 HydrophobicContact CB-CD1 4.11Å; V58-F111 HydrophobicContact CB-CD2 3.77Å; V58-F111 HydrophobicContact CB-CE2 4.36Å; V58-F111 HydrophobicContact CB-CG 3.63Å; V58-F111 HydrophobicContact CG1-CB 4.26Å; V58-F111 HydrophobicContact CG1-CD1 3.61Å; V58-F111 HydrophobicContact CG1-CD2 3.78Å; V58-F111 HydrophobicContact CG1-CE1 3.75Å; V58-F111 HydrophobicContact CG1-CE2 3.92Å; V58-F111 HydrophobicContact CG1-CG 3.63Å; V58-F111 HydrophobicContact CG1-CZ 3.91Å; V58-F111 HydrophobicContact CG2-CB 4.09Å; V58-F111 HydrophobicContact CG2-CG 4.37Å; C71-F111 HydrophobicContact CB-CE2 3.73Å; C71-F111 HydrophobicContact CB-CZ 3.66Å; F80-F111 HydrophobicContact CD2-CE1 4.49Å; F80-F111 AromaticContact CD2-CZ 3.91Å; F80-F111 HydrophobicContact CD2-CZ 3.91Å; F80-F111 AromaticContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE1 3.87Å; F80-F111 AromaticContact CE2-CZ 3.53Å; F80-F111 HydrophobicContact CE2-CZ 3.53Å; F111-H113 PolarHBondContact O-CD2 3.06Å; F111-H113 VanDerWaalsContact O-CD2 3.25Å; F111-H113 PolarHBondContact O-N 2.69Å; F111-V121 HydrophobicContact CD1-CB 4.3Å; F111-V121 HydrophobicContact CD1-CG2 4.24Å; F111-V121 HydrophobicContact CE1-CB 4.42Å; F111-V121 HydrophobicContact CE1-CG2 3.87Å; F111-S122 CarbonylContact C-O 3.4Å; F111-S122 WeakPolarHBondContact CA-O 3.43Å; F111-L123 HydrophobicContact CD1-CB 3.87Å; F111-L123 HydrophobicContact CD1-CD1 3.89Å; F111-L123 HydrophobicContact CD1-CG 4.33Å; F111-L123 HydrophobicContact CD2-CD1 4.25Å; F111-L123 HydrophobicContact CE1-CB 3.76Å; F111-L123 HydrophobicContact CE1-CD1 3.83Å; F111-L123 HydrophobicContact CE1-CD2 3.84Å; F111-L123 HydrophobicContact CE1-CG 4.01Å; F111-L123 HydrophobicContact CE2-CD1 4.19Å; F111-L123 HydrophobicContact CG-CD1 4.1Å; F111-L123 HydrophobicContact CZ-CD1 3.98Å; F111-L123 HydrophobicContact CZ-CD2 3.93Å; F111-L123 HydrophobicContact CZ-CG 4.39Å; F111-W162 VanDerWaalsContact C-NE1 3.35Å; F111-W162 VanDerWaalsContact O-CD1 3.25Å
112	N	98.4	Very high	96.2	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.027	25%	0.248	C	C	.	.			trans	-77.5	107.9	163.5	-161	-41.2	0	0	0	108.2	L114 T115 S122 W162 S166 E167	N112-L114 VanDerWaalsContact C-N 3.31Å; N112-L114 VanDerWaalsContact OD1-CB 3.31Å; N112-L114 WeakPolarHBondContact OD1-CB 3.23Å; N112-L114 PolarHBondContact OD1-N 2.61Å; N112-T115 PolarHBondContact OD1-N 2.93Å; N112-S122 PolarHBondContact N-O 2.88Å; N112-W162 HydrophobicContact CB-CD2 3.74Å; N112-W162 HydrophobicContact CB-CE3 4.21Å; N112-W162 HydrophobicContact CB-CG 4.06Å; N112-W162 HydrophobicContact CB-CH2 4.33Å; N112-W162 HydrophobicContact CB-CZ2 3.91Å; N112-W162 HydrophobicContact CB-CZ3 4.48Å; N112-W162 VanDerWaalsContact N-NE1 3.13Å; N112-W162 WeakPolarHBondContact ND2-CZ3 3.45Å; N112-S166 PolarHBondContact ND2-O 2.97Å; N112-E167 PolarHBondContact ND2-O 3.34Å
113	H	96.6	Very high	96.5	Very high	124 Å²	124	34.9 Å²	34.9	57%	0.574	21%	0.21	S	C	*	.	S	Bend	trans	-74.3	-20.8	178.2	-70.1	-99.3	0	0	0	113	F57 F111	F57-H113 PolarHBondContact O-CE1 2.7Å; F57-H113 PolarHBondContact O-NE2 3.37Å; F111-H113 PolarHBondContact O-CD2 3.06Å; F111-H113 VanDerWaalsContact O-CD2 3.25Å; F111-H113 PolarHBondContact O-N 2.69Å
114	L	96.8	Very high	97	Very high	101 Å²	101	31.3 Å²	31.3	53%	0.529	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-38.4	179.6	-178.7	62.1	0	0	0	111.6	N112 G165 E167	N112-L114 VanDerWaalsContact C-N 3.31Å; N112-L114 VanDerWaalsContact OD1-CB 3.31Å; N112-L114 WeakPolarHBondContact OD1-CB 3.23Å; N112-L114 PolarHBondContact OD1-N 2.61Å; L114-G165 WeakPolarHBondContact CD2-O 3.27Å; L114-E167 HydrophobicContact CD2-CG 3.75Å; L114-E167 HydrophobicContact CG-CG 4.33Å
115	T	96.2	Very high	97.3	Very high	37 Å²	37	29.9 Å²	29.9	23%	0.227	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	23.5	-177	77.7	0	0	0	0	113.5	N112 S122 E167	N112-T115 PolarHBondContact OD1-N 2.93Å; T115-S122 PolarHBondContact OG1-OG 2.67Å; T115-E167 HydrophobicContact CG2-CB 3.71Å; T115-E167 HydrophobicContact CG2-CG 3.72Å
116	A	96.6	Very high	97.4	Very high	8 Å²	8	27.6 Å²	27.6	7%	0.066	15%	0.153	C	C	.	.			trans	-91.8	120.7	-175	0	0	0	0	0	112.1	V58 V121	V58-A116 HydrophobicContact CG2-CB 3.63Å; A116-V121 HydrophobicContact CB-CG1 4Å
117	T	95.4	Very high	97.4	Very high	59 Å²	59	27.8 Å²	27.8	36%	0.362	15%	0.154	S	C	.	.	B	Isolated β-bridge	trans	-133.1	166.6	175	83.8	0	0	0	0	111	V60 E119 S120	V60-T117 WeakPolarHBondContact CB-O 3.24Å; V60-T117 CarbonylContact O-C 3.58Å; T117-E119 WeakPolarHBondContact CB-OE2 3.42Å; T117-E119 PolarHBondContact O-N 2.86Å; T117-E119 VanDerWaalsContact O-N 3.1Å; T117-E119 PolarHBondContact OG1-N 3.25Å; T117-E119 PolarHBondContact OG1-OE2 3.01Å; T117-S120 PolarHBondContact N-O 3.32Å; T117-S120 CarbonylContact O-C 3.52Å; T117-S120 PolarHBondContact O-N 3.16Å; T117-S120 VanDerWaalsContact O-N 3.17Å; T117-S120 PolarHBondContact OG1-N 3.02Å
118	A	93.7	Very high	97.4	Very high	37 Å²	37	29.4 Å²	29.4	31%	0.306	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.6	179.5	0	0	0	0	0	113	V60 D62	V60-A118 HydrophobicContact CG2-CB 4.43Å; V60-A118 PolarHBondContact O-N 2.94Å; V60-A118 VanDerWaalsContact O-N 3.15Å; D62-A118 HydrophobicContact CB-CB 4.37Å
119	E	93.4	Very high	97.3	Very high	121 Å²	121	30 Å²	30	57%	0.565	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-19.8	-179.4	-48.8	71.3	-154.6	0	0	113.7	T117 I138 K139	T117-E119 WeakPolarHBondContact CB-OE2 3.42Å; T117-E119 PolarHBondContact O-N 2.86Å; T117-E119 VanDerWaalsContact O-N 3.1Å; T117-E119 PolarHBondContact OG1-N 3.25Å; T117-E119 PolarHBondContact OG1-OE2 3.01Å; E119-I138 WeakPolarHBondContact O-CG2 3.43Å; E119-K139 VanDerWaalsContact O-CE 3.22Å; E119-K139 WeakPolarHBondContact O-CE 3.44Å; E119-K139 WeakPolarHBondContact O-CG 3.22Å
120	S	95.4	Very high	97.3	Very high	22 Å²	22	29.6 Å²	29.6	15%	0.154	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-153.5	136.2	-171.1	-134.2	0	0	0	0	112.7	T117 D136 K139	T117-S120 PolarHBondContact N-O 3.32Å; T117-S120 CarbonylContact O-C 3.52Å; T117-S120 PolarHBondContact O-N 3.16Å; T117-S120 VanDerWaalsContact O-N 3.17Å; T117-S120 PolarHBondContact OG1-N 3.02Å; S120-D136 WeakPolarHBondContact CA-OD2 3.23Å; S120-D136 WeakPolarHBondContact CB-OD2 3.31Å; S120-D136 PolarHBondContact OG-OD2 2.97Å; S120-K139 WeakPolarHBondContact OG-CD 3.46Å; S120-K139 WeakPolarHBondContact OG-CE 3.2Å; S120-K139 PolarHBondContact OG-NZ 3.01Å
121	V	97.3	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.173	C	C	.	.			trans	-141.2	128.8	166.9	-64.8	0	0	0	0	111.9	V58 V60 F80 F111 A116 L123 D136 P137 I138	V58-V121 HydrophobicContact CG1-CG1 4.28Å; V60-V121 HydrophobicContact CG1-CG1 3.45Å; V60-V121 VanDerWaalsContact CG1-CG1 3.45Å; F80-V121 HydrophobicContact CE2-CG2 4.49Å; F80-V121 HydrophobicContact CZ-CG2 3.94Å; F111-V121 HydrophobicContact CD1-CB 4.3Å; F111-V121 HydrophobicContact CD1-CG2 4.24Å; F111-V121 HydrophobicContact CE1-CB 4.42Å; F111-V121 HydrophobicContact CE1-CG2 3.87Å; A116-V121 HydrophobicContact CB-CG1 4Å; V121-L123 PolarHBondContact O-N 3.43Å; V121-D136 PolarHBondContact N-OD2 2.71Å; V121-D136 WeakPolarHBondContact O-CA 3.33Å; V121-P137 HydrophobicContact CG2-CG 3.71Å; V121-P137 WeakPolarHBondContact O-CD 3.27Å; V121-I138 HydrophobicContact CB-CD1 4.43Å; V121-I138 HydrophobicContact CG1-CD1 3.9Å; V121-I138 HydrophobicContact CG2-CD1 3.94Å; V121-I138 HydrophobicContact CG2-CG1 4.09Å
122	S	98.3	Very high	97.3	Very high	30 Å²	30	30.4 Å²	30.4	21%	0.21	17%	0.173	C	C	.	.			trans	-82.2	110.6	176.5	-63.4	0	0	0	0	110.6	F111 N112 T115	F111-S122 CarbonylContact C-O 3.4Å; F111-S122 WeakPolarHBondContact CA-O 3.43Å; N112-S122 PolarHBondContact N-O 2.88Å; T115-S122 PolarHBondContact OG1-OG 2.67Å
123	L	98.8	Very high	97.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.5	-179.8	174.5	58.3	0	0	0	110.9	C71 H109 F111 V121 V125 L134 I135 P137	C71-L123 HydrophobicContact CB-CD2 4.24Å; H109-L123 HydrophobicContact CB-CD1 4.12Å; F111-L123 HydrophobicContact CD1-CB 3.87Å; F111-L123 HydrophobicContact CD1-CD1 3.89Å; F111-L123 HydrophobicContact CD1-CG 4.33Å; F111-L123 HydrophobicContact CD2-CD1 4.25Å; F111-L123 HydrophobicContact CE1-CB 3.76Å; F111-L123 HydrophobicContact CE1-CD1 3.83Å; F111-L123 HydrophobicContact CE1-CD2 3.84Å; F111-L123 HydrophobicContact CE1-CG 4.01Å; F111-L123 HydrophobicContact CE2-CD1 4.19Å; F111-L123 HydrophobicContact CG-CD1 4.1Å; F111-L123 HydrophobicContact CZ-CD1 3.98Å; F111-L123 HydrophobicContact CZ-CD2 3.93Å; F111-L123 HydrophobicContact CZ-CG 4.39Å; V121-L123 PolarHBondContact O-N 3.43Å; L123-V125 HydrophobicContact CG-CG2 4.22Å; L123-L134 WeakPolarHBondContact O-CA 3.19Å; L123-I135 HydrophobicContact CB-CG1 3.94Å; L123-I135 HydrophobicContact CD2-CD1 3.97Å; L123-I135 HydrophobicContact CD2-CG1 4.08Å; L123-I135 HydrophobicContact CG-CD1 4.4Å; L123-I135 HydrophobicContact CG-CG1 4.07Å; L123-I135 PolarHBondContact N-O 2.75Å; L123-I135 PolarHBondContact O-N 3.15Å; L123-P137 HydrophobicContact CD2-CG 4.32Å
124	L	98.9	Very high	97.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.5	170.6	-67.6	168.7	0	0	0	110.3	H109 D110 V132 Q133 L134 V160 W162 F170	H109-L124 CarbonylContact C-O 3.38Å; H109-L124 WeakPolarHBondContact CA-O 3.46Å; H109-L124 WeakPolarHBondContact CB-O 3.41Å; D110-L124 PolarHBondContact N-O 2.73Å; D110-L124 PolarHBondContact O-N 2.8Å; L124-V132 HydrophobicContact CB-CG1 4.36Å; L124-V132 HydrophobicContact CD2-CG1 3.97Å; L124-Q133 CarbonylContact C-O 3.48Å; L124-Q133 WeakPolarHBondContact CA-O 3.44Å; L124-L134 HydrophobicContact CD2-CB 4Å; L124-L134 HydrophobicContact CD2-CD1 4.13Å; L124-V160 HydrophobicContact CB-CG2 4.38Å; L124-W162 HydrophobicContact CD1-CD2 3.75Å; L124-W162 HydrophobicContact CD1-CE3 4.36Å; L124-W162 HydrophobicContact CD1-CG 4.14Å; L124-W162 HydrophobicContact CD1-CH2 4.39Å; L124-W162 HydrophobicContact CD1-CZ2 3.75Å; L124-W162 HydrophobicContact CD2-CZ2 4.15Å; L124-W162 HydrophobicContact CG-CD2 4.44Å; L124-W162 HydrophobicContact CG-CH2 4.35Å; L124-W162 HydrophobicContact CG-CZ2 3.54Å; L124-F170 HydrophobicContact CD1-CB 3.38Å; L124-F170 HydrophobicContact CD1-CD1 4.01Å; L124-F170 HydrophobicContact CD1-CD2 3.6Å; L124-F170 HydrophobicContact CD1-CE2 4.32Å; L124-F170 HydrophobicContact CD1-CG 3.41Å; L124-F170 VanDerWaalsContact CD1-CG 3.41Å; L124-F170 HydrophobicContact CD2-CD1 4.22Å; L124-F170 HydrophobicContact CD2-CD2 4.16Å; L124-F170 HydrophobicContact CD2-CE1 4.1Å; L124-F170 HydrophobicContact CD2-CE2 4.04Å; L124-F170 HydrophobicContact CD2-CG 4.24Å; L124-F170 HydrophobicContact CD2-CZ 4.01Å; L124-F170 HydrophobicContact CG-CG 4.49Å
125	V	98.9	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	119.4	175.7	-172.9	0	0	0	0	109	L78 P106 H109 L123 F127 V132 Q133 I135	L78-V125 HydrophobicContact CD2-CG2 3.89Å; P106-V125 HydrophobicContact CB-CG1 3.86Å; P106-V125 HydrophobicContact CG-CG1 4.17Å; H109-V125 HydrophobicContact CB-CG2 4.23Å; L123-V125 HydrophobicContact CG-CG2 4.22Å; V125-F127 HydrophobicContact CB-CE2 3.9Å; V125-F127 HydrophobicContact CB-CZ 3.99Å; V125-F127 HydrophobicContact CG1-CE1 4.12Å; V125-F127 HydrophobicContact CG1-CE2 3.79Å; V125-F127 HydrophobicContact CG1-CZ 3.53Å; V125-F127 VanDerWaalsContact O-CD2 3.29Å; V125-F127 WeakPolarHBondContact O-CD2 3.5Å; V125-F127 WeakPolarHBondContact O-CE2 3.49Å; V125-V132 CarbonylContact O-C 3.59Å; V125-V132 VanDerWaalsContact O-CA 3.27Å; V125-V132 WeakPolarHBondContact O-CA 3.48Å; V125-Q133 PolarHBondContact N-O 3.02Å; V125-Q133 PolarHBondContact O-N 3.06Å; V125-I135 HydrophobicContact CG2-CD1 4.16Å; V125-I135 HydrophobicContact CG2-CG1 4.47Å
126	G	98.8	Very high	97.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	146.3	176	0	0	0	0	0	112.6	P106 T107 C108	P106-G126 CarbonylContact C-O 3.49Å; P106-G126 WeakPolarHBondContact CA-O 3.42Å; T107-G126 PolarHBondContact N-O 3.05Å; T107-G126 PolarHBondContact OG1-O 2.98Å; C108-G126 PolarHBondContact O-N 3.08Å
127	F	98.8	Very high	97.6	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.018	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	156.2	-169.1	-68.4	-86	0	0	0	115.5	Y101 T104 Q105 P106 V125 A129 G130 Q131 Q133 V157	Y101-F127 AromaticContact CD1-CE1 3.57Å; Y101-F127 HydrophobicContact CD1-CE1 3.57Å; Y101-F127 AromaticContact CD1-CZ 3.92Å; Y101-F127 HydrophobicContact CD1-CZ 3.92Å; Y101-F127 HydrophobicContact CD2-CE1 4.09Å; Y101-F127 AromaticContact CE1-CE1 3.59Å; Y101-F127 HydrophobicContact CE1-CE1 3.59Å; Y101-F127 AromaticContact CE1-CZ 3.42Å; Y101-F127 HydrophobicContact CE1-CZ 3.42Å; Y101-F127 VanDerWaalsContact CE1-CZ 3.42Å; Y101-F127 HydrophobicContact CE2-CE1 4.11Å; Y101-F127 HydrophobicContact CE2-CZ 4.23Å; Y101-F127 AromaticContact CG-CE1 3.83Å; Y101-F127 HydrophobicContact CG-CE1 3.83Å; Y101-F127 HydrophobicContact CG-CZ 4.5Å; Y101-F127 AromaticContact CZ-CE1 3.87Å; Y101-F127 AromaticContact CZ-CZ 3.6Å; T104-F127 HydrophobicContact CG2-CB 3.87Å; T104-F127 HydrophobicContact CG2-CD1 3.58Å; T104-F127 HydrophobicContact CG2-CE1 4.38Å; T104-F127 HydrophobicContact CG2-CG 3.88Å; Q105-F127 WeakPolarHBondContact O-CA 3.31Å; P106-F127 HydrophobicContact CB-CE1 4.43Å; P106-F127 HydrophobicContact CG-CD1 4.35Å; P106-F127 HydrophobicContact CG-CE1 3.81Å; V125-F127 HydrophobicContact CB-CE2 3.9Å; V125-F127 HydrophobicContact CB-CZ 3.99Å; V125-F127 HydrophobicContact CG1-CE1 4.12Å; V125-F127 HydrophobicContact CG1-CE2 3.79Å; V125-F127 HydrophobicContact CG1-CZ 3.53Å; V125-F127 VanDerWaalsContact O-CD2 3.29Å; V125-F127 WeakPolarHBondContact O-CD2 3.5Å; V125-F127 WeakPolarHBondContact O-CE2 3.49Å; F127-A129 PolarHBondContact O-N 2.88Å; F127-A129 VanDerWaalsContact O-N 3.13Å; F127-G130 PolarHBondContact O-N 2.72Å; F127-G130 VanDerWaalsContact O-N 3.08Å; F127-Q131 HydrophobicContact CB-CB 4.3Å; F127-Q131 HydrophobicContact CD2-CB 4.2Å; F127-Q131 PolarHBondContact N-O 2.85Å; F127-Q133 HydrophobicContact CE2-CB 3.64Å; F127-Q133 HydrophobicContact CZ-CB 4.26Å; F127-V157 PolarHBondContact O-N 2.64Å; F127-V157 VanDerWaalsContact O-N 3.13Å
128	S	97.8	Very high	97.7	Very high	41 Å²	41	18 Å²	18	29%	0.287	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.3	-177.6	61.4	0	0	0	0	115.3	T104 Q105 R156	T104-S128 PolarHBondContact OG1-N 2.62Å; T104-S128 PolarHBondContact OG1-OG 3.34Å; Q105-S128 PolarHBondContact N-OG 3.12Å; Q105-S128 PolarHBondContact O-N 2.7Å; S128-R156 WeakPolarHBondContact O-CA 3.18Å; S128-R156 WeakPolarHBondContact O-CB 3.49Å
129	A	97.6	Very high	97.7	Very high	20 Å²	20	21 Å²	21	17%	0.165	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	2.6	176.5	0	0	0	0	0	113.9	T104 F127 Q131 R150	T104-A129 PolarHBondContact OG1-N 2.79Å; F127-A129 PolarHBondContact O-N 2.88Å; F127-A129 VanDerWaalsContact O-N 3.13Å; A129-Q131 VanDerWaalsContact CB-OE1 3.25Å; A129-R150 PolarHBondContact O-NE 2.87Å; A129-R150 PolarHBondContact O-NH2 2.82Å
130	G	98.3	Very high	97.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	11%	0.107	C	C	.	.	S	Bend	trans	101.9	-2.5	174.2	0	0	0	0	0	115.5	F127 N147 S155 H174	F127-G130 PolarHBondContact O-N 2.72Å; F127-G130 VanDerWaalsContact O-N 3.08Å; G130-N147 PolarHBondContact O-ND2 2.71Å; G130-S155 VanDerWaalsContact CA-O 3.24Å; G130-S155 WeakPolarHBondContact CA-O 3.31Å; G130-H174 PolarHBondContact O-CE1 3.14Å
131	Q	98.6	Very high	97.1	Very high	27 Å²	27	27.3 Å²	27.3	13%	0.126	14%	0.137	C	C	.	.			trans	-73.1	158.7	172.5	-62.2	84.3	-0.6	0	0	112.2	F127 A129 F146 E148 R150 V157	F127-Q131 HydrophobicContact CB-CB 4.3Å; F127-Q131 HydrophobicContact CD2-CB 4.2Å; F127-Q131 PolarHBondContact N-O 2.85Å; A129-Q131 VanDerWaalsContact CB-OE1 3.25Å; Q131-F146 WeakPolarHBondContact CA-O 3.48Å; Q131-E148 PolarHBondContact NE2-O 3.09Å; Q131-R150 VanDerWaalsContact NE2-CG 3.34Å; Q131-V157 WeakPolarHBondContact O-CG2 3.27Å
132	V	98.8	Very high	96.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.4	158.8	179.9	0	0	0	0	108.8	L124 V125 F146 V157 V160 F170 V172	L124-V132 HydrophobicContact CB-CG1 4.36Å; L124-V132 HydrophobicContact CD2-CG1 3.97Å; V125-V132 CarbonylContact O-C 3.59Å; V125-V132 VanDerWaalsContact O-CA 3.27Å; V125-V132 WeakPolarHBondContact O-CA 3.48Å; V132-F146 HydrophobicContact CB-CB 4.38Å; V132-F146 PolarHBondContact N-O 2.8Å; V132-F146 PolarHBondContact O-N 2.73Å; V132-V157 HydrophobicContact CG2-CG2 4.16Å; V132-V160 HydrophobicContact CG2-CG1 4.09Å; V132-F170 HydrophobicContact CG1-CE2 4.03Å; V132-V172 HydrophobicContact CG2-CB 4.47Å; V132-V172 HydrophobicContact CG2-CG1 3.71Å; V132-V172 HydrophobicContact CG2-CG2 3.85Å
133	Q	98.7	Very high	96.1	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.075	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.1	172.5	-166.7	-174.6	16.4	0	0	109.2	Y101 L124 V125 F127 I135 S143 K144 L145	Y101-Q133 VanDerWaalsContact CE1-OE1 3.28Å; Y101-Q133 PolarHBondContact OH-OE1 3.22Å; L124-Q133 CarbonylContact C-O 3.48Å; L124-Q133 WeakPolarHBondContact CA-O 3.44Å; V125-Q133 PolarHBondContact N-O 3.02Å; V125-Q133 PolarHBondContact O-N 3.06Å; F127-Q133 HydrophobicContact CE2-CB 3.64Å; F127-Q133 HydrophobicContact CZ-CB 4.26Å; Q133-I135 HydrophobicContact CB-CG2 4.41Å; Q133-I135 HydrophobicContact CG-CG2 3.56Å; Q133-S143 PolarHBondContact NE2-OG 3.37Å; Q133-K144 CarbonylContact C-O 3.59Å; Q133-K144 WeakPolarHBondContact CA-O 3.42Å; Q133-L145 HydrophobicContact CB-CD2 3.71Å; Q133-L145 HydrophobicContact CG-CD2 3.74Å; Q133-L145 HydrophobicContact CG-CG 4.34Å
134	L	98.8	Very high	96	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.047	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.7	161.8	173.6	62.9	0	0	0	108.4	L123 L124 T142 S143 K144 F146 W162 V184	L123-L134 WeakPolarHBondContact O-CA 3.19Å; L124-L134 HydrophobicContact CD2-CB 4Å; L124-L134 HydrophobicContact CD2-CD1 4.13Å; L134-T142 HydrophobicContact CG-CG2 4.41Å; L134-S143 CarbonylContact O-C 3.56Å; L134-S143 VanDerWaalsContact O-CA 3.3Å; L134-S143 WeakPolarHBondContact O-CA 3.37Å; L134-K144 HydrophobicContact CB-CB 4.42Å; L134-K144 PolarHBondContact N-O 2.91Å; L134-K144 PolarHBondContact O-N 2.81Å; L134-F146 HydrophobicContact CB-CE2 3.88Å; L134-W162 HydrophobicContact CD1-CH2 4.01Å; L134-W162 HydrophobicContact CD1-CZ2 3.81Å; L134-V184 HydrophobicContact CD2-CB 4.5Å; L134-V184 HydrophobicContact CD2-CG1 3.5Å; L134-V184 HydrophobicContact CD2-CG2 4.14Å
135	I	98.5	Very high	96	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.2	175.9	67.5	177.6	0	0	0	110.7	L78 R99 L123 V125 Q133 T142	L78-I135 HydrophobicContact CD2-CD1 3.8Å; R99-I135 VanDerWaalsContact NH1-CG2 3.27Å; L123-I135 HydrophobicContact CB-CG1 3.94Å; L123-I135 HydrophobicContact CD2-CD1 3.97Å; L123-I135 HydrophobicContact CD2-CG1 4.08Å; L123-I135 HydrophobicContact CG-CD1 4.4Å; L123-I135 HydrophobicContact CG-CG1 4.07Å; L123-I135 PolarHBondContact N-O 2.75Å; L123-I135 PolarHBondContact O-N 3.15Å; V125-I135 HydrophobicContact CG2-CD1 4.16Å; V125-I135 HydrophobicContact CG2-CG1 4.47Å; Q133-I135 HydrophobicContact CB-CG2 4.41Å; Q133-I135 HydrophobicContact CG-CG2 3.56Å; I135-T142 WeakPolarHBondContact CA-O 3.47Å
136	D	98.2	Very high	96	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	20%	0.195	C	C	.	.			trans	-105.3	114.1	158.2	-170.6	-47.2	0	0	0	107.9	R99 S120 V121 I138 K139 K140 T142	R99-D136 PolarHBondContact NH2-O 2.69Å; S120-D136 WeakPolarHBondContact CA-OD2 3.23Å; S120-D136 WeakPolarHBondContact CB-OD2 3.31Å; S120-D136 PolarHBondContact OG-OD2 2.97Å; V121-D136 PolarHBondContact N-OD2 2.71Å; V121-D136 WeakPolarHBondContact O-CA 3.33Å; D136-I138 WeakPolarHBondContact OD1-CA 3.47Å; D136-I138 WeakPolarHBondContact OD1-CB 3.27Å; D136-I138 PolarHBondContact OD1-N 3.5Å; D136-K139 HydrophobicContact CB-CB 4.33Å; D136-K139 PolarHBondContact OD1-N 3.19Å; D136-K140 WeakPolarHBondContact O-CA 3.2Å; D136-K140 PolarHBondContact O-N 2.64Å; D136-T142 PolarHBondContact N-O 3.46Å
137	P	97.3	Very high	95.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.7	179.6	36	-36.3	0	0	0	113.8	F80 D97 V121 L123	F80-P137 HydrophobicContact CB-CB 4.17Å; F80-P137 HydrophobicContact CD1-CB 3.51Å; F80-P137 HydrophobicContact CD1-CG 3.64Å; F80-P137 HydrophobicContact CD2-CB 4.5Å; F80-P137 HydrophobicContact CD2-CG 4.1Å; F80-P137 HydrophobicContact CE1-CB 3.94Å; F80-P137 HydrophobicContact CE1-CG 3.61Å; F80-P137 HydrophobicContact CE2-CG 4.03Å; F80-P137 HydrophobicContact CG-CB 3.84Å; F80-P137 HydrophobicContact CG-CG 3.9Å; F80-P137 HydrophobicContact CZ-CG 3.8Å; D97-P137 HydrophobicContact CB-CB 3.8Å; D97-P137 WeakPolarHBondContact CB-O 3.46Å; V121-P137 HydrophobicContact CG2-CG 3.71Å; V121-P137 WeakPolarHBondContact O-CD 3.27Å; L123-P137 HydrophobicContact CD2-CG 4.32Å
138	I	95.8	Very high	95.9	Very high	42 Å²	42	42.9 Å²	42.9	22%	0.215	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-57.7	172.2	-61.8	175.8	0	0	0	109	F80 E119 V121 D136	F80-I138 HydrophobicContact CE1-CG1 3.76Å; F80-I138 HydrophobicContact CZ-CG1 4.17Å; E119-I138 WeakPolarHBondContact O-CG2 3.43Å; V121-I138 HydrophobicContact CB-CD1 4.43Å; V121-I138 HydrophobicContact CG1-CD1 3.9Å; V121-I138 HydrophobicContact CG2-CD1 3.94Å; V121-I138 HydrophobicContact CG2-CG1 4.09Å; D136-I138 WeakPolarHBondContact OD1-CA 3.47Å; D136-I138 WeakPolarHBondContact OD1-CB 3.27Å; D136-I138 PolarHBondContact OD1-N 3.5Å
139	K	93.7	Very high	95.8	Very high	101 Å²	101	47.5 Å²	47.5	44%	0.439	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-33.7	178.5	-63.9	-176.6	174.4	156.9	0	113.2	E119 S120 D136 E141	E119-K139 VanDerWaalsContact O-CE 3.22Å; E119-K139 WeakPolarHBondContact O-CE 3.44Å; E119-K139 WeakPolarHBondContact O-CG 3.22Å; S120-K139 WeakPolarHBondContact OG-CD 3.46Å; S120-K139 WeakPolarHBondContact OG-CE 3.2Å; S120-K139 PolarHBondContact OG-NZ 3.01Å; D136-K139 HydrophobicContact CB-CB 4.33Å; D136-K139 PolarHBondContact OD1-N 3.19Å; K139-E141 PolarHBondContact O-N 2.96Å
140	K	92.8	Very high	95.8	Very high	105 Å²	105	51.2 Å²	51.2	46%	0.457	25%	0.246	S	C	.	.			trans	66.1	-12	-177.8	-53.9	179	-173.5	179.2	0	116.4	I96 D136	I96-K140 WeakPolarHBondContact O-CE 3.4Å; I96-K140 PolarHBondContact O-NZ 2.8Å; D136-K140 WeakPolarHBondContact O-CA 3.2Å; D136-K140 PolarHBondContact O-N 2.64Å
141	E	83.4	Confident	95.8	Very high	170 Å²	170	54.1 Å²	54.1	79%	0.794	26%	0.261	S	S	*	.			trans	-68.1	-40.9	175.8	-64.6	172.3	163.1	0	0	112.7	K139 S143	K139-E141 PolarHBondContact O-N 2.96Å; E141-S143 PolarHBondContact O-N 2.86Å
142	T	84.2	Confident	95.8	Very high	59 Å²	59	53.7 Å²	53.7	36%	0.362	26%	0.259	S	S	.	.			trans	-73.7	123.9	-177.2	-51.4	0	0	0	0	111.9	L134 I135 D136	L134-T142 HydrophobicContact CG-CG2 4.41Å; I135-T142 WeakPolarHBondContact CA-O 3.47Å; D136-T142 PolarHBondContact N-O 3.46Å
143	S	91.8	Very high	95.7	Very high	67 Å²	67	54.5 Å²	54.5	47%	0.469	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	85.7	172	172.2	0	0	0	0	110.9	Q133 L134 E141	Q133-S143 PolarHBondContact NE2-OG 3.37Å; L134-S143 CarbonylContact O-C 3.56Å; L134-S143 VanDerWaalsContact O-CA 3.3Å; L134-S143 WeakPolarHBondContact O-CA 3.37Å; E141-S143 PolarHBondContact O-N 2.86Å
144	K	97.2	Very high	95.7	Very high	59 Å²	59	60.3 Å²	60.3	26%	0.257	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.2	176.4	-174.9	167.2	179.2	171.6	0	110.7	Q133 L134 F146 V184 E185 H186	Q133-K144 CarbonylContact C-O 3.59Å; Q133-K144 WeakPolarHBondContact CA-O 3.42Å; L134-K144 HydrophobicContact CB-CB 4.42Å; L134-K144 PolarHBondContact N-O 2.91Å; L134-K144 PolarHBondContact O-N 2.81Å; K144-F146 HydrophobicContact CB-CE2 4.21Å; K144-F146 HydrophobicContact CB-CZ 4.47Å; K144-F146 HydrophobicContact CD-CE1 4.29Å; K144-F146 HydrophobicContact CD-CE2 4.31Å; K144-F146 HydrophobicContact CD-CZ 3.74Å; K144-F146 HydrophobicContact CG-CE1 4.48Å; K144-F146 HydrophobicContact CG-CE2 3.9Å; K144-F146 HydrophobicContact CG-CZ 3.84Å; K144-V184 VanDerWaalsContact CE-O 3.32Å; K144-V184 WeakPolarHBondContact CE-O 3.47Å; K144-V184 PolarHBondContact NZ-O 3.06Å; K144-E185 PolarHBondContact NZ-O 2.75Å; K144-H186 WeakPolarHBondContact CE-O 3.47Å; K144-H186 PolarHBondContact NZ-O 3.46Å
145	L	97.7	Very high	95.7	Very high	63 Å²	63	61.3 Å²	61.3	33%	0.33	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.6	176.7	-74.7	167.3	0	0	0	111.7	Q133 E148	Q133-L145 HydrophobicContact CB-CD2 3.71Å; Q133-L145 HydrophobicContact CG-CD2 3.74Å; Q133-L145 HydrophobicContact CG-CG 4.34Å; L145-E148 HydrophobicContact CB-CB 4.21Å; L145-E148 VanDerWaalsContact CD1-CD 3.45Å; L145-E148 HydrophobicContact CD1-CG 4.18Å; L145-E148 VanDerWaalsContact CD1-OE1 3.31Å; L145-E148 WeakPolarHBondContact CD1-OE1 3.41Å
146	F	98.6	Very high	95.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.5	176.8	-56.6	-95.8	0	0	0	109	Q131 V132 L134 K144 E148 F170 Y182	Q131-F146 WeakPolarHBondContact CA-O 3.48Å; V132-F146 HydrophobicContact CB-CB 4.38Å; V132-F146 PolarHBondContact N-O 2.8Å; V132-F146 PolarHBondContact O-N 2.73Å; L134-F146 HydrophobicContact CB-CE2 3.88Å; K144-F146 HydrophobicContact CB-CE2 4.21Å; K144-F146 HydrophobicContact CB-CZ 4.47Å; K144-F146 HydrophobicContact CD-CE1 4.29Å; K144-F146 HydrophobicContact CD-CE2 4.31Å; K144-F146 HydrophobicContact CD-CZ 3.74Å; K144-F146 HydrophobicContact CG-CE1 4.48Å; K144-F146 HydrophobicContact CG-CE2 3.9Å; K144-F146 HydrophobicContact CG-CZ 3.84Å; F146-E148 PolarHBondContact O-N 3.36Å; F146-F170 AromaticContact CD1-CZ 3.95Å; F146-F170 HydrophobicContact CD1-CZ 3.95Å; F146-F170 AromaticContact CD2-CZ 3.86Å; F146-F170 HydrophobicContact CD2-CZ 3.86Å; F146-F170 HydrophobicContact CE1-CE1 4.09Å; F146-F170 AromaticContact CE1-CZ 3.97Å; F146-F170 HydrophobicContact CE1-CZ 3.97Å; F146-F170 HydrophobicContact CE2-CE1 4.22Å; F146-F170 AromaticContact CE2-CZ 3.89Å; F146-F170 HydrophobicContact CE2-CZ 3.89Å; F146-F170 AromaticContact CG-CZ 3.9Å; F146-F170 HydrophobicContact CG-CZ 3.9Å; F146-F170 AromaticContact CZ-CE1 3.94Å; F146-F170 HydrophobicContact CZ-CE1 3.94Å; F146-F170 AromaticContact CZ-CZ 3.94Å; F146-F170 HydrophobicContact CZ-CZ 3.94Å; F146-Y182 HydrophobicContact CB-CD1 4.19Å; F146-Y182 HydrophobicContact CB-CE1 4.05Å; F146-Y182 AromaticContact CD1-CD1 3.9Å; F146-Y182 HydrophobicContact CD1-CD1 3.9Å; F146-Y182 HydrophobicContact CG-CD1 4.39Å
147	N	98.2	Very high	95.7	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	32%	0.315	C	S	.	.	S	Bend	trans	54	31.9	-172.9	-168.1	36.2	0	0	0	114.1	G130 E149 R150 L151 I152 D153 C188	G130-N147 PolarHBondContact O-ND2 2.71Å; N147-E149 PolarHBondContact O-N 3.21Å; N147-R150 WeakPolarHBondContact O-CA 3.48Å; N147-R150 PolarHBondContact O-N 3.42Å; N147-R150 VanDerWaalsContact OD1-CA 3.29Å; N147-R150 WeakPolarHBondContact OD1-CA 3.37Å; N147-L151 PolarHBondContact OD1-N 3.23Å; N147-L151 VanDerWaalsContact OD1-N 3.12Å; N147-I152 HydrophobicContact CB-CB 4.38Å; N147-I152 HydrophobicContact CB-CD1 4.1Å; N147-I152 WeakPolarHBondContact OD1-CB 3.43Å; N147-I152 PolarHBondContact OD1-N 2.89Å; N147-D153 PolarHBondContact ND2-N 3.29Å; N147-D153 PolarHBondContact ND2-O 3.24Å; N147-C188 PolarHBondContact N-SG 3.04Å
148	E	97.1	Very high	95.8	Very high	109 Å²	109	67.2 Å²	67.2	51%	0.509	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-51	-177	-174.4	163.3	-166.7	0	0	112.7	Q131 L145 F146 R150	Q131-E148 PolarHBondContact NE2-O 3.09Å; L145-E148 HydrophobicContact CB-CB 4.21Å; L145-E148 VanDerWaalsContact CD1-CD 3.45Å; L145-E148 HydrophobicContact CD1-CG 4.18Å; L145-E148 VanDerWaalsContact CD1-OE1 3.31Å; L145-E148 WeakPolarHBondContact CD1-OE1 3.41Å; F146-E148 PolarHBondContact O-N 3.36Å; E148-R150 PolarHBondContact O-N 2.82Å
149	E	96.8	Very high	96	Very high	139 Å²	139	65.8 Å²	65.8	65%	0.65	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-3.6	176.4	-59.7	-57.4	150.4	0	0	114.6	N147 L151	N147-E149 PolarHBondContact O-N 3.21Å; E149-L151 HydrophobicContact CB-CD1 3.77Å; E149-L151 HydrophobicContact CB-CG 3.69Å; E149-L151 HydrophobicContact CG-CD1 4.49Å; E149-L151 PolarHBondContact O-N 2.97Å
150	R	97.4	Very high	96.2	Very high	97 Å²	97	61 Å²	61	37%	0.366	29%	0.294	S	S	.	.	S	Bend	trans	57.1	36.3	178.9	-47.3	170.7	67.1	-158.9	0.8	113.2	A129 Q131 N147 E148 K154	A129-R150 PolarHBondContact O-NE 2.87Å; A129-R150 PolarHBondContact O-NH2 2.82Å; Q131-R150 VanDerWaalsContact NE2-CG 3.34Å; N147-R150 WeakPolarHBondContact O-CA 3.48Å; N147-R150 PolarHBondContact O-N 3.42Å; N147-R150 VanDerWaalsContact OD1-CA 3.29Å; N147-R150 WeakPolarHBondContact OD1-CA 3.37Å; E148-R150 PolarHBondContact O-N 2.82Å; R150-K154 HydrophobicContact CB-CG 4.1Å; R150-K154 PolarHBondContact NH2-O 2.95Å; R150-K154 WeakPolarHBondContact O-CE 3.46Å; R150-K154 WeakPolarHBondContact O-CG 3.32Å
151	L	97.8	Very high	96.5	Very high	62 Å²	62	59.7 Å²	59.7	33%	0.325	29%	0.288	S	S	.	.			trans	-91.8	-18	-178.4	-62	177.1	0	0	0	113.3	N147 E149	N147-L151 PolarHBondContact OD1-N 3.23Å; N147-L151 VanDerWaalsContact OD1-N 3.12Å; E149-L151 HydrophobicContact CB-CD1 3.77Å; E149-L151 HydrophobicContact CB-CG 3.69Å; E149-L151 HydrophobicContact CG-CD1 4.49Å; E149-L151 PolarHBondContact O-N 2.97Å
152	I	98.3	Very high	97.2	Very high	18 Å²	18	52.3 Å²	52.3	9%	0.092	25%	0.253	C	S	.	.	S	Bend	trans	-87.8	-53	177.9	-56.8	171.2	0	0	0	109.4	N147 Y180 Y182 C188 P193 P217	N147-I152 HydrophobicContact CB-CB 4.38Å; N147-I152 HydrophobicContact CB-CD1 4.1Å; N147-I152 WeakPolarHBondContact OD1-CB 3.43Å; N147-I152 PolarHBondContact OD1-N 2.89Å; I152-Y180 HydrophobicContact CG2-CD1 3.54Å; I152-Y180 HydrophobicContact CG2-CD2 4.41Å; I152-Y180 HydrophobicContact CG2-CE1 3.58Å; I152-Y180 HydrophobicContact CG2-CE2 4.47Å; I152-Y180 HydrophobicContact CG2-CG 3.98Å; I152-Y180 PolarHBondContact O-OH 3.01Å; I152-Y182 HydrophobicContact CD1-CE1 3.81Å; I152-Y182 WeakPolarHBondContact CD1-OH 3.37Å; I152-C188 HydrophobicContact CD1-CB 4.48Å; I152-P193 HydrophobicContact CG1-CG 4.21Å; I152-P217 HydrophobicContact CD1-CG 4.32Å; I152-P217 HydrophobicContact CG1-CG 4.48Å; I152-P217 HydrophobicContact CG2-CB 4.36Å; I152-P217 HydrophobicContact CG2-CG 3.87Å
153	D	98.5	Very high	97.9	Very high	17 Å²	17	50.3 Å²	50.3	9%	0.091	24%	0.24	C	C	.	.			trans	-144.9	155.9	169.9	-152.5	-63.4	0	0	0	110	N147 S155 H174 S176 Y180	N147-D153 PolarHBondContact ND2-N 3.29Å; N147-D153 PolarHBondContact ND2-O 3.24Å; D153-S155 WeakPolarHBondContact OD1-CB 3.11Å; D153-S155 PolarHBondContact OD1-N 3.45Å; D153-S155 PolarHBondContact OD1-OG 3.02Å; D153-H174 IonicContact OD1-ND1 3.37Å; D153-S176 WeakPolarHBondContact OD2-CB 3.12Å; D153-S176 PolarHBondContact OD2-OG 2.58Å; D153-Y180 HydrophobicContact CB-CE2 3.72Å; D153-Y180 WeakPolarHBondContact OD2-CE2 3.36Å; D153-Y180 PolarHBondContact OD2-OH 3.05Å
154	K	98.3	Very high	98.2	Very high	138 Å²	138	50 Å²	50	60%	0.6	24%	0.237	S	C	*	.			trans	-114.1	-13.1	-179.7	-66.9	-178.4	-179.2	-177.9	0	113.1	R150	R150-K154 HydrophobicContact CB-CG 4.1Å; R150-K154 PolarHBondContact NH2-O 2.95Å; R150-K154 WeakPolarHBondContact O-CE 3.46Å; R150-K154 WeakPolarHBondContact O-CG 3.32Å
155	S	98.5	Very high	98.2	Very high	31 Å²	31	50.8 Å²	50.8	22%	0.217	26%	0.261	C	S	.	.	S	Bend	trans	-84	158.1	-179.5	68.3	0	0	0	0	111.5	G130 D153 H174 S176	G130-S155 VanDerWaalsContact CA-O 3.24Å; G130-S155 WeakPolarHBondContact CA-O 3.31Å; D153-S155 WeakPolarHBondContact OD1-CB 3.11Å; D153-S155 PolarHBondContact OD1-N 3.45Å; D153-S155 PolarHBondContact OD1-OG 3.02Å; S155-H174 PolarHBondContact O-ND1 3.13Å; S155-S176 WeakPolarHBondContact OG-CB 3.22Å; S155-S176 PolarHBondContact OG-N 3.19Å; S155-S176 VanDerWaalsContact OG-N 3.13Å; S155-S176 PolarHBondContact OG-OG 3.22Å
156	R	98.4	Very high	98.3	Very high	112 Å²	112	48.7 Å²	48.7	42%	0.423	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-55.9	141.6	-179	70.6	174.6	-170.9	-179.5	3	111.3	S128 T158 H174 A175	S128-R156 WeakPolarHBondContact O-CA 3.18Å; S128-R156 WeakPolarHBondContact O-CB 3.49Å; R156-T158 HydrophobicContact CG-CG2 4.33Å; R156-H174 WeakPolarHBondContact O-CA 3.49Å; R156-A175 HydrophobicContact CG-CB 3.68Å; R156-A175 PolarHBondContact O-N 2.96Å
157	V	98.9	Very high	98.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.6	162.7	-174.1	0	0	0	0	108.4	T107 F127 Q131 V132 V160 V172 S173	T107-V157 WeakPolarHBondContact CB-O 3.36Å; T107-V157 PolarHBondContact OG1-O 2.94Å; T107-V157 VanDerWaalsContact OG1-O 3.14Å; F127-V157 PolarHBondContact O-N 2.64Å; F127-V157 VanDerWaalsContact O-N 3.13Å; Q131-V157 WeakPolarHBondContact O-CG2 3.27Å; V132-V157 HydrophobicContact CG2-CG2 4.16Å; V157-V160 HydrophobicContact CG1-CG1 3.54Å; V157-V172 HydrophobicContact CG1-CG1 3.67Å; V157-V172 HydrophobicContact CG2-CG1 4.05Å; V157-S173 CarbonylContact C-O 3.47Å; V157-S173 WeakPolarHBondContact CA-O 3.43Å; V157-S173 WeakPolarHBondContact CG1-O 3.46Å
158	T	98.8	Very high	98.2	Very high	19 Å²	19	56.3 Å²	56.3	12%	0.117	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-45.4	-179.6	47.1	0	0	0	0	112.1	R156 S173 A175 L228	R156-T158 HydrophobicContact CG-CG2 4.33Å; T158-S173 PolarHBondContact N-O 3.47Å; T158-S173 PolarHBondContact OG1-O 3.4Å; T158-S173 PolarHBondContact OG1-OG 2.8Å; T158-A175 HydrophobicContact CG2-CB 4.14Å; T158-L228 VanDerWaalsContact CB-O 3.28Å; T158-L228 WeakPolarHBondContact CB-O 3.35Å; T158-L228 WeakPolarHBondContact CG2-O 3.33Å; T158-L228 PolarHBondContact OG1-O 2.99Å
159	C	98.9	Very high	98.3	Very high	11 Å²	11	53.4 Å²	53.4	7%	0.074	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.2	170.7	-171.3	0	0	0	0	110.1	S173 F231	C159-S173 WeakPolarHBondContact CB-OG 3.46Å; C159-S173 PolarHBondContact N-OG 3.45Å; C159-S173 PolarHBondContact O-N 2.74Å; C159-S173 PolarHBondContact O-OG 3.45Å; C159-F231 HydrophobicContact CB-CD1 3.83Å; C159-F231 HydrophobicContact CB-CE1 3.74Å
160	V	98.9	Very high	98.4	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.9	165.6	-63.3	0	0	0	0	108.2	D110 L124 V132 V157 L171 V172	D110-V160 HydrophobicContact CB-CG2 4.22Å; L124-V160 HydrophobicContact CB-CG2 4.38Å; V132-V160 HydrophobicContact CG2-CG1 4.09Å; V157-V160 HydrophobicContact CG1-CG1 3.54Å; V160-L171 WeakPolarHBondContact CA-O 3.41Å; V160-V172 HydrophobicContact CG1-CG1 4.14Å; V160-V172 HydrophobicContact CG1-CG2 4.25Å
161	K	98.9	Very high	98.5	Very high	77 Å²	77	42.3 Å²	42.3	34%	0.335	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.9	170.2	-75.6	-59.2	-168.4	171.1	0	110.9	D110 F170 L171 F231 F233	D110-K161 HydrophobicContact CB-CD 4.2Å; D110-K161 WeakPolarHBondContact OD1-CD 3.45Å; D110-K161 IonicContact OD1-NZ 2.8Å; D110-K161 PolarHBondContact OD1-NZ 3.15Å; D110-K161 WeakPolarHBondContact OD2-CA 3.39Å; D110-K161 WeakPolarHBondContact OD2-CD 3.49Å; D110-K161 IonicContact OD2-NZ 2.73Å; K161-F170 CarbonylContact O-C 3.58Å; K161-F170 WeakPolarHBondContact O-CA 3.46Å; K161-F170 WeakPolarHBondContact O-CB 3.45Å; K161-L171 PolarHBondContact N-O 3.18Å; K161-L171 PolarHBondContact O-N 3.26Å; K161-F231 HydrophobicContact CB-CE2 3.71Å; K161-F231 HydrophobicContact CB-CZ 3.91Å; K161-F231 HydrophobicContact CG-CE2 3.87Å; K161-F231 HydrophobicContact CG-CZ 4.18Å; K161-F233 HydrophobicContact CB-CD2 4.48Å; K161-F233 HydrophobicContact CB-CE2 4.27Å
162	W	98.9	Very high	98.6	Very high	15 Å²	15	39.4 Å²	39.4	6%	0.057	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	148.4	160.1	-65	90.2	0	0	0	109.9	D110 F111 N112 L124 L134 E167 F170 V184	D110-W162 PolarHBondContact O-NE1 3.39Å; D110-W162 VanDerWaalsContact O-NE1 3.12Å; D110-W162 PolarHBondContact OD2-N 2.98Å; F111-W162 VanDerWaalsContact C-NE1 3.35Å; F111-W162 VanDerWaalsContact O-CD1 3.25Å; N112-W162 HydrophobicContact CB-CD2 3.74Å; N112-W162 HydrophobicContact CB-CE3 4.21Å; N112-W162 HydrophobicContact CB-CG 4.06Å; N112-W162 HydrophobicContact CB-CH2 4.33Å; N112-W162 HydrophobicContact CB-CZ2 3.91Å; N112-W162 HydrophobicContact CB-CZ3 4.48Å; N112-W162 VanDerWaalsContact N-NE1 3.13Å; N112-W162 WeakPolarHBondContact ND2-CZ3 3.45Å; L124-W162 HydrophobicContact CD1-CD2 3.75Å; L124-W162 HydrophobicContact CD1-CE3 4.36Å; L124-W162 HydrophobicContact CD1-CG 4.14Å; L124-W162 HydrophobicContact CD1-CH2 4.39Å; L124-W162 HydrophobicContact CD1-CZ2 3.75Å; L124-W162 HydrophobicContact CD2-CZ2 4.15Å; L124-W162 HydrophobicContact CG-CD2 4.44Å; L124-W162 HydrophobicContact CG-CH2 4.35Å; L124-W162 HydrophobicContact CG-CZ2 3.54Å; L134-W162 HydrophobicContact CD1-CH2 4.01Å; L134-W162 HydrophobicContact CD1-CZ2 3.81Å; W162-E167 VanDerWaalsContact CZ3-O 3.31Å; W162-E167 WeakPolarHBondContact CZ3-O 3.32Å; W162-F170 HydrophobicContact CD2-CB 4.41Å; W162-F170 HydrophobicContact CE3-CB 4.22Å; W162-V184 HydrophobicContact CH2-CG2 3.64Å; W162-V184 HydrophobicContact CZ3-CG2 3.57Å
163	V	98.8	Very high	98.6	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.097	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-72.3	129.5	170.4	177.7	0	0	0	0	107.6	G165 S166 L169 L181 F233 F254	V163-G165 PolarHBondContact O-N 2.9Å; V163-S166 WeakPolarHBondContact O-CB 3.19Å; V163-S166 PolarHBondContact O-N 2.85Å; V163-L169 HydrophobicContact CB-CB 4Å; V163-L169 HydrophobicContact CG2-CB 3.74Å; V163-L169 PolarHBondContact N-O 2.94Å; V163-L181 HydrophobicContact CG2-CD1 3.86Å; V163-F233 HydrophobicContact CG2-CZ 4.19Å; V163-F254 HydrophobicContact CG1-CE1 3.86Å; V163-F254 HydrophobicContact CG1-CZ 4.37Å; V163-F254 HydrophobicContact CG2-CE1 4.35Å; V163-F254 HydrophobicContact CG2-CZ 4.07Å
164	P	98.3	Very high	98.6	Very high	62 Å²	62	37.7 Å²	37.7	40%	0.403	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	135.4	178.7	-29.4	37	0	0	0	112.2	S166 F233	P164-S166 PolarHBondContact O-N 2.82Å; P164-F233 HydrophobicContact CG-CB 3.73Å; P164-F233 HydrophobicContact CG-CD1 4.04Å; P164-F233 HydrophobicContact CG-CD2 4.01Å; P164-F233 HydrophobicContact CG-CG 3.68Å
165	G	97.3	Very high	98.6	Very high	74 Å²	74	32.7 Å²	32.7	76%	0.763	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	5.1	-176.5	0	0	0	0	0	115.8	L114 V163	L114-G165 WeakPolarHBondContact CD2-O 3.27Å; V163-G165 PolarHBondContact O-N 2.9Å
166	S	98.2	Very high	98.6	Very high	19 Å²	19	33.6 Å²	33.6	13%	0.133	20%	0.198	C	C	.	.			trans	-107.6	130.4	-179.4	-160.8	0	0	0	0	113.8	N112 V163 P164 S168 L169	N112-S166 PolarHBondContact ND2-O 2.97Å; V163-S166 WeakPolarHBondContact O-CB 3.19Å; V163-S166 PolarHBondContact O-N 2.85Å; P164-S166 PolarHBondContact O-N 2.82Å; S166-S168 PolarHBondContact OG-N 2.92Å; S166-L169 WeakPolarHBondContact OG-CB 3.47Å; S166-L169 PolarHBondContact OG-N 2.93Å
167	E	98.2	Very high	98.6	Very high	129 Å²	129	28.5 Å²	28.5	60%	0.603	18%	0.18	S	C	*	.	S	Bend	trans	-75.7	-25.8	171.4	-56.5	-173.1	152.2	0	0	112.8	N112 L114 T115 W162	N112-E167 PolarHBondContact ND2-O 3.34Å; L114-E167 HydrophobicContact CD2-CG 3.75Å; L114-E167 HydrophobicContact CG-CG 4.33Å; T115-E167 HydrophobicContact CG2-CB 3.71Å; T115-E167 HydrophobicContact CG2-CG 3.72Å; W162-E167 VanDerWaalsContact CZ3-O 3.31Å; W162-E167 WeakPolarHBondContact CZ3-O 3.32Å
168	S	98.2	Very high	98.6	Very high	36 Å²	36	28.8 Å²	28.8	25%	0.252	18%	0.182	S	C	.	.	S	Bend	trans	-130	-13.6	-167.2	64.7	0	0	0	0	115.8	S166 N183 V184	S166-S168 PolarHBondContact OG-N 2.92Å; S168-N183 CarbonylContact O-C 2.97Å; S168-N183 VanDerWaalsContact O-CA 3.28Å; S168-N183 WeakPolarHBondContact O-CA 3.48Å; S168-N183 PolarHBondContact OG-ND2 2.97Å; S168-V184 WeakPolarHBondContact O-CG2 3.37Å; S168-V184 PolarHBondContact O-N 3.46Å
169	L	98.8	Very high	98.6	Very high	47 Å²	47	27.9 Å²	27.9	25%	0.246	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.7	177.6	-62.3	176.1	0	0	0	112	V163 S166 L181 Y182 N183 L218	V163-L169 HydrophobicContact CB-CB 4Å; V163-L169 HydrophobicContact CG2-CB 3.74Å; V163-L169 PolarHBondContact N-O 2.94Å; S166-L169 WeakPolarHBondContact OG-CB 3.47Å; S166-L169 PolarHBondContact OG-N 2.93Å; L169-L181 HydrophobicContact CB-CD1 4.47Å; L169-Y182 WeakPolarHBondContact CA-O 3.46Å; L169-N183 HydrophobicContact CD2-CB 3.87Å; L169-N183 WeakPolarHBondContact CD2-ND2 3.42Å; L169-L218 HydrophobicContact CD2-CD1 3.76Å
170	F	98.9	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146	174.1	66.6	-88.1	0	0	0	112.6	L124 V132 F146 K161 W162 V172 Y182 V184	L124-F170 HydrophobicContact CD1-CB 3.38Å; L124-F170 HydrophobicContact CD1-CD1 4.01Å; L124-F170 HydrophobicContact CD1-CD2 3.6Å; L124-F170 HydrophobicContact CD1-CE2 4.32Å; L124-F170 HydrophobicContact CD1-CG 3.41Å; L124-F170 VanDerWaalsContact CD1-CG 3.41Å; L124-F170 HydrophobicContact CD2-CD1 4.22Å; L124-F170 HydrophobicContact CD2-CD2 4.16Å; L124-F170 HydrophobicContact CD2-CE1 4.1Å; L124-F170 HydrophobicContact CD2-CE2 4.04Å; L124-F170 HydrophobicContact CD2-CG 4.24Å; L124-F170 HydrophobicContact CD2-CZ 4.01Å; L124-F170 HydrophobicContact CG-CG 4.49Å; V132-F170 HydrophobicContact CG1-CE2 4.03Å; F146-F170 AromaticContact CD1-CZ 3.95Å; F146-F170 HydrophobicContact CD1-CZ 3.95Å; F146-F170 AromaticContact CD2-CZ 3.86Å; F146-F170 HydrophobicContact CD2-CZ 3.86Å; F146-F170 HydrophobicContact CE1-CE1 4.09Å; F146-F170 AromaticContact CE1-CZ 3.97Å; F146-F170 HydrophobicContact CE1-CZ 3.97Å; F146-F170 HydrophobicContact CE2-CE1 4.22Å; F146-F170 AromaticContact CE2-CZ 3.89Å; F146-F170 HydrophobicContact CE2-CZ 3.89Å; F146-F170 AromaticContact CG-CZ 3.9Å; F146-F170 HydrophobicContact CG-CZ 3.9Å; F146-F170 AromaticContact CZ-CE1 3.94Å; F146-F170 HydrophobicContact CZ-CE1 3.94Å; F146-F170 AromaticContact CZ-CZ 3.94Å; F146-F170 HydrophobicContact CZ-CZ 3.94Å; K161-F170 CarbonylContact O-C 3.58Å; K161-F170 WeakPolarHBondContact O-CA 3.46Å; K161-F170 WeakPolarHBondContact O-CB 3.45Å; W162-F170 HydrophobicContact CD2-CB 4.41Å; W162-F170 HydrophobicContact CE3-CB 4.22Å; F170-V172 HydrophobicContact CD2-CG2 3.6Å; F170-V172 HydrophobicContact CE2-CG2 3.62Å; F170-Y182 HydrophobicContact CD2-CD2 4.4Å; F170-Y182 HydrophobicContact CE1-CG 4.5Å; F170-Y182 AromaticContact CE2-CD2 3.89Å; F170-Y182 HydrophobicContact CE2-CD2 3.89Å; F170-Y182 AromaticContact CE2-CG 3.82Å; F170-Y182 HydrophobicContact CE2-CG 3.82Å; F170-Y182 HydrophobicContact CZ-CD1 4.37Å; F170-Y182 HydrophobicContact CZ-CD2 4.36Å; F170-Y182 AromaticContact CZ-CG 3.82Å; F170-Y182 HydrophobicContact CZ-CG 3.82Å; F170-Y182 PolarHBondContact N-O 3.01Å; F170-Y182 PolarHBondContact O-N 2.86Å; F170-V184 HydrophobicContact CD1-CG2 3.94Å; F170-V184 HydrophobicContact CE1-CG2 3.89Å
171	L	98.9	Very high	98.6	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.3	-179.2	-168.2	67.1	0	0	0	110	V160 K161 M179 L181 F231 F233 L240 F254	V160-L171 WeakPolarHBondContact CA-O 3.41Å; K161-L171 PolarHBondContact N-O 3.18Å; K161-L171 PolarHBondContact O-N 3.26Å; L171-M179 HydrophobicContact CD1-CB 4.08Å; L171-M179 HydrophobicContact CD2-CE 4.41Å; L171-M179 HydrophobicContact CD2-SD 3.99Å; L171-M179 HydrophobicContact CG-CB 4.45Å; L171-L181 HydrophobicContact CD1-CB 4.36Å; L171-L181 HydrophobicContact CD1-CD1 4.4Å; L171-F231 HydrophobicContact CB-CE2 4.2Å; L171-F231 HydrophobicContact CB-CZ 3.88Å; L171-F231 HydrophobicContact CD2-CD2 4.17Å; L171-F231 HydrophobicContact CD2-CE1 4.43Å; L171-F231 HydrophobicContact CD2-CE2 3.76Å; L171-F231 HydrophobicContact CD2-CZ 3.91Å; L171-F231 HydrophobicContact CG-CE1 4.41Å; L171-F231 HydrophobicContact CG-CE2 4.26Å; L171-F231 HydrophobicContact CG-CZ 3.92Å; L171-F233 HydrophobicContact CB-CZ 4.46Å; L171-F233 HydrophobicContact CD2-CZ 4.16Å; L171-L240 HydrophobicContact CD2-CD1 4.09Å; L171-L240 HydrophobicContact CD2-CD2 3.67Å; L171-F254 HydrophobicContact CD2-CE2 4.25Å
172	V	98.9	Very high	98.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123	-176.9	-177.3	0	0	0	0	108.5	V132 V157 V160 F170 H174 M179 Y180 Y182	V132-V172 HydrophobicContact CG2-CB 4.47Å; V132-V172 HydrophobicContact CG2-CG1 3.71Å; V132-V172 HydrophobicContact CG2-CG2 3.85Å; V157-V172 HydrophobicContact CG1-CG1 3.67Å; V157-V172 HydrophobicContact CG2-CG1 4.05Å; V160-V172 HydrophobicContact CG1-CG1 4.14Å; V160-V172 HydrophobicContact CG1-CG2 4.25Å; F170-V172 HydrophobicContact CD2-CG2 3.6Å; F170-V172 HydrophobicContact CE2-CG2 3.62Å; V172-H174 WeakPolarHBondContact CG1-NE2 3.37Å; V172-M179 CarbonylContact O-C 3.55Å; V172-M179 WeakPolarHBondContact O-CA 3.36Å; V172-Y180 PolarHBondContact N-O 2.9Å; V172-Y180 PolarHBondContact O-N 3Å; V172-Y182 HydrophobicContact CB-CD2 4.24Å; V172-Y182 HydrophobicContact CB-CE2 3.97Å; V172-Y182 HydrophobicContact CG2-CD2 3.6Å; V172-Y182 HydrophobicContact CG2-CE2 3.7Å
173	S	98.9	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	151.1	174.7	68.1	0	0	0	0	112.2	V157 T158 C159	V157-S173 CarbonylContact C-O 3.47Å; V157-S173 WeakPolarHBondContact CA-O 3.43Å; V157-S173 WeakPolarHBondContact CG1-O 3.46Å; T158-S173 PolarHBondContact N-O 3.47Å; T158-S173 PolarHBondContact OG1-O 3.4Å; T158-S173 PolarHBondContact OG1-OG 2.8Å; C159-S173 WeakPolarHBondContact CB-OG 3.46Å; C159-S173 PolarHBondContact N-OG 3.45Å; C159-S173 PolarHBondContact O-N 2.74Å; C159-S173 PolarHBondContact O-OG 3.45Å
174	H	98.9	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.3	-175.1	-72	-105.7	0	0	0	113	G130 D153 S155 R156 V172 S176 G177 S178 Y180	G130-H174 PolarHBondContact O-CE1 3.14Å; D153-H174 IonicContact OD1-ND1 3.37Å; S155-H174 PolarHBondContact O-ND1 3.13Å; R156-H174 WeakPolarHBondContact O-CA 3.49Å; V172-H174 WeakPolarHBondContact CG1-NE2 3.37Å; H174-S176 WeakPolarHBondContact CB-OG 3.42Å; H174-S176 PolarHBondContact O-N 3.05Å; H174-G177 PolarHBondContact O-N 3.08Å; H174-G177 VanDerWaalsContact O-N 3.09Å; H174-S178 PolarHBondContact N-O 2.94Å; H174-Y180 AromaticContact CD2-CD2 3.51Å; H174-Y180 AromaticContact CD2-CE2 3.6Å; H174-Y180 AromaticContact NE2-CD2 3.69Å; H174-Y180 AromaticContact NE2-CE2 3.95Å
175	A	98.5	Very high	98.5	Very high	32 Å²	32	28.2 Å²	28.2	26%	0.264	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-1.1	173.2	0	0	0	0	0	114.4	R156 T158 G177 A227	R156-A175 HydrophobicContact CG-CB 3.68Å; R156-A175 PolarHBondContact O-N 2.96Å; T158-A175 HydrophobicContact CG2-CB 4.14Å; A175-G177 VanDerWaalsContact C-N 3.29Å; A175-A227 HydrophobicContact CB-CB 4.15Å; A175-A227 WeakPolarHBondContact O-CA 3.47Å
176	S	98.4	Very high	98.5	Very high	50 Å²	50	26.8 Å²	26.8	35%	0.35	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.4	168.2	58.7	0	0	0	0	114.5	D153 S155 H174 S178	D153-S176 WeakPolarHBondContact OD2-CB 3.12Å; D153-S176 PolarHBondContact OD2-OG 2.58Å; S155-S176 WeakPolarHBondContact OG-CB 3.22Å; S155-S176 PolarHBondContact OG-N 3.19Å; S155-S176 VanDerWaalsContact OG-N 3.13Å; S155-S176 PolarHBondContact OG-OG 3.22Å; H174-S176 WeakPolarHBondContact CB-OG 3.42Å; H174-S176 PolarHBondContact O-N 3.05Å; S176-S178 VanDerWaalsContact C-N 3.25Å; S176-S178 WeakPolarHBondContact OG-CB 3.39Å; S176-S178 PolarHBondContact OG-N 2.59Å
177	G	98.3	Very high	98.3	Very high	5 Å²	5	30.3 Å²	30.3	5%	0.052	17%	0.168	C	C	.	.	S	Bend	trans	76.5	14.7	-171.3	0	0	0	0	0	113.1	H174 A175 V223 G226	H174-G177 PolarHBondContact O-N 3.08Å; H174-G177 VanDerWaalsContact O-N 3.09Å; A175-G177 VanDerWaalsContact C-N 3.29Å; G177-V223 PolarHBondContact O-N 2.93Å; G177-G226 WeakPolarHBondContact CA-O 3.48Å; G177-G226 PolarHBondContact N-O 2.88Å
178	S	98.6	Very high	98.2	Very high	6 Å²	6	26.1 Å²	26.1	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.2	179.1	-56.9	0	0	0	0	111.8	H174 S176 Y180 K220 W221	H174-S178 PolarHBondContact N-O 2.94Å; S176-S178 VanDerWaalsContact C-N 3.25Å; S176-S178 WeakPolarHBondContact OG-CB 3.39Å; S176-S178 PolarHBondContact OG-N 2.59Å; S178-Y180 WeakPolarHBondContact CB-OH 3.27Å; S178-K220 WeakPolarHBondContact OG-CE 3Å; S178-K220 PolarHBondContact OG-NZ 3.14Å; S178-K220 VanDerWaalsContact OG-NZ 3.12Å; S178-W221 CarbonylContact C-O 3.56Å; S178-W221 VanDerWaalsContact CA-O 3.29Å; S178-W221 WeakPolarHBondContact CA-O 3.35Å
179	M	98.8	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	152.8	162.1	-47.9	-176.9	-64.4	0	0	110.1	L171 V172 K220 W221 V223 L228 F231 L240	L171-M179 HydrophobicContact CD1-CB 4.08Å; L171-M179 HydrophobicContact CD2-CE 4.41Å; L171-M179 HydrophobicContact CD2-SD 3.99Å; L171-M179 HydrophobicContact CG-CB 4.45Å; V172-M179 CarbonylContact O-C 3.55Å; V172-M179 WeakPolarHBondContact O-CA 3.36Å; M179-K220 WeakPolarHBondContact O-CA 3.33Å; M179-W221 HydrophobicContact CB-CB 4.19Å; M179-W221 HydrophobicContact CE-CB 3.85Å; M179-W221 HydrophobicContact CE-CD2 3.66Å; M179-W221 HydrophobicContact CE-CE3 3.9Å; M179-W221 HydrophobicContact CE-CG 3.64Å; M179-W221 PolarHBondContact N-O 2.88Å; M179-W221 PolarHBondContact O-N 2.94Å; M179-V223 HydrophobicContact CE-CG2 4.07Å; M179-L228 HydrophobicContact CG-CD1 3.41Å; M179-L228 VanDerWaalsContact CG-CD1 3.41Å; M179-L228 HydrophobicContact SD-CD1 3.6Å; M179-F231 HydrophobicContact SD-CD1 4.31Å; M179-L240 HydrophobicContact CE-CD2 3.7Å; M179-L240 HydrophobicContact SD-CD2 4.2Å
180	Y	98.9	Very high	97.7	Very high	1 Å²	1	30 Å²	30	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.5	177.4	-55.5	-89.2	0	0	0	109.7	I152 D153 V172 H174 S178 Y195 P217 L219 K220	I152-Y180 HydrophobicContact CG2-CD1 3.54Å; I152-Y180 HydrophobicContact CG2-CD2 4.41Å; I152-Y180 HydrophobicContact CG2-CE1 3.58Å; I152-Y180 HydrophobicContact CG2-CE2 4.47Å; I152-Y180 HydrophobicContact CG2-CG 3.98Å; I152-Y180 PolarHBondContact O-OH 3.01Å; D153-Y180 HydrophobicContact CB-CE2 3.72Å; D153-Y180 WeakPolarHBondContact OD2-CE2 3.36Å; D153-Y180 PolarHBondContact OD2-OH 3.05Å; V172-Y180 PolarHBondContact N-O 2.9Å; V172-Y180 PolarHBondContact O-N 3Å; H174-Y180 AromaticContact CD2-CD2 3.51Å; H174-Y180 AromaticContact CD2-CE2 3.6Å; H174-Y180 AromaticContact NE2-CD2 3.69Å; H174-Y180 AromaticContact NE2-CE2 3.95Å; S178-Y180 WeakPolarHBondContact CB-OH 3.27Å; Y180-Y195 WeakPolarHBondContact CE1-OH 3.28Å; Y180-P217 HydrophobicContact CD1-CB 4.34Å; Y180-P217 HydrophobicContact CD1-CG 4.34Å; Y180-L219 WeakPolarHBondContact CA-O 3.36Å; Y180-K220 HydrophobicContact CD1-CB 3.88Å; Y180-K220 HydrophobicContact CD1-CG 4.01Å; Y180-K220 HydrophobicContact CE1-CB 3.83Å; Y180-K220 HydrophobicContact CE1-CD 3.65Å; Y180-K220 HydrophobicContact CE1-CG 3.54Å; Y180-K220 PolarHBondContact OH-NZ 2.81Å
181	L	98.8	Very high	97.5	Very high	17 Å²	17	33 Å²	33	9%	0.089	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.5	172.7	-174.5	70.7	0	0	0	109	V163 L169 L171 L218 L219 F254	V163-L181 HydrophobicContact CG2-CD1 3.86Å; L169-L181 HydrophobicContact CB-CD1 4.47Å; L171-L181 HydrophobicContact CD1-CB 4.36Å; L171-L181 HydrophobicContact CD1-CD1 4.4Å; L181-L218 HydrophobicContact CB-CB 4.39Å; L181-L218 HydrophobicContact CD2-CB 4.34Å; L181-L218 HydrophobicContact CD2-CD1 3.95Å; L181-L218 HydrophobicContact CG-CB 4.47Å; L181-L218 HydrophobicContact CG-CD1 4.19Å; L181-L218 PolarHBondContact O-N 2.71Å; L181-L219 HydrophobicContact CB-CB 3.98Å; L181-L219 HydrophobicContact CB-CD1 4.15Å; L181-L219 HydrophobicContact CB-CG 4.15Å; L181-L219 HydrophobicContact CD2-CD1 3.73Å; L181-L219 HydrophobicContact CD2-CG 4.14Å; L181-L219 PolarHBondContact N-O 3.06Å; L181-F254 HydrophobicContact CD1-CZ 4.36Å
182	Y	98.8	Very high	97.3	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	152.7	176.7	-69.8	-97.6	0	0	0	110.5	F146 I152 L169 F170 V172 N216	F146-Y182 HydrophobicContact CB-CD1 4.19Å; F146-Y182 HydrophobicContact CB-CE1 4.05Å; F146-Y182 AromaticContact CD1-CD1 3.9Å; F146-Y182 HydrophobicContact CD1-CD1 3.9Å; F146-Y182 HydrophobicContact CG-CD1 4.39Å; I152-Y182 HydrophobicContact CD1-CE1 3.81Å; I152-Y182 WeakPolarHBondContact CD1-OH 3.37Å; L169-Y182 WeakPolarHBondContact CA-O 3.46Å; F170-Y182 HydrophobicContact CD2-CD2 4.4Å; F170-Y182 HydrophobicContact CE1-CG 4.5Å; F170-Y182 AromaticContact CE2-CD2 3.89Å; F170-Y182 HydrophobicContact CE2-CD2 3.89Å; F170-Y182 AromaticContact CE2-CG 3.82Å; F170-Y182 HydrophobicContact CE2-CG 3.82Å; F170-Y182 HydrophobicContact CZ-CD1 4.37Å; F170-Y182 HydrophobicContact CZ-CD2 4.36Å; F170-Y182 AromaticContact CZ-CG 3.82Å; F170-Y182 HydrophobicContact CZ-CG 3.82Å; F170-Y182 PolarHBondContact N-O 3.01Å; F170-Y182 PolarHBondContact O-N 2.86Å; V172-Y182 HydrophobicContact CB-CD2 4.24Å; V172-Y182 HydrophobicContact CB-CE2 3.97Å; V172-Y182 HydrophobicContact CG2-CD2 3.6Å; V172-Y182 HydrophobicContact CG2-CE2 3.7Å; Y182-N216 WeakPolarHBondContact CA-OD1 3.49Å; Y182-N216 HydrophobicContact CD1-CB 3.62Å; Y182-N216 HydrophobicContact CE1-CB 4.02Å
183	N	98.4	Very high	97.2	Very high	20 Å²	20	36.6 Å²	36.6	11%	0.107	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.5	163	-177	-80.3	0	0	0	110.1	S168 L169 E185 H186 N216 L218	S168-N183 CarbonylContact O-C 2.97Å; S168-N183 VanDerWaalsContact O-CA 3.28Å; S168-N183 WeakPolarHBondContact O-CA 3.48Å; S168-N183 PolarHBondContact OG-ND2 2.97Å; L169-N183 HydrophobicContact CD2-CB 3.87Å; L169-N183 WeakPolarHBondContact CD2-ND2 3.42Å; N183-E185 VanDerWaalsContact C-N 3.32Å; N183-E185 PolarHBondContact O-N 3.45Å; N183-E185 WeakPolarHBondContact OD1-CB 3.45Å; N183-E185 PolarHBondContact OD1-N 2.84Å; N183-H186 HydrophobicContact CB-CB 4.33Å; N183-H186 PolarHBondContact O-N 3.28Å; N183-N216 PolarHBondContact N-OD1 3.25Å; N183-N216 PolarHBondContact O-ND2 3.02Å; N183-L218 HydrophobicContact CB-CD1 4.19Å
184	V	98.2	Very high	97	Very high	16 Å²	16	43.3 Å²	43.3	10%	0.097	27%	0.266	C	S	.	.	S	Bend	trans	-60.6	-36.2	-177.6	170.4	0	0	0	0	112.7	L134 K144 W162 S168 F170	L134-V184 HydrophobicContact CD2-CB 4.5Å; L134-V184 HydrophobicContact CD2-CG1 3.5Å; L134-V184 HydrophobicContact CD2-CG2 4.14Å; K144-V184 VanDerWaalsContact CE-O 3.32Å; K144-V184 WeakPolarHBondContact CE-O 3.47Å; K144-V184 PolarHBondContact NZ-O 3.06Å; W162-V184 HydrophobicContact CH2-CG2 3.64Å; W162-V184 HydrophobicContact CZ3-CG2 3.57Å; S168-V184 WeakPolarHBondContact O-CG2 3.37Å; S168-V184 PolarHBondContact O-N 3.46Å; F170-V184 HydrophobicContact CD1-CG2 3.94Å; F170-V184 HydrophobicContact CE1-CG2 3.89Å
185	E	97	Very high	96.9	Very high	136 Å²	136	46.7 Å²	46.7	64%	0.636	28%	0.279	S	S	*	.	S	Bend	trans	-74.3	-38.7	-177.9	-58.2	-45.3	114.3	0	0	111.6	K144 N183	K144-E185 PolarHBondContact NZ-O 2.75Å; N183-E185 VanDerWaalsContact C-N 3.32Å; N183-E185 PolarHBondContact O-N 3.45Å; N183-E185 WeakPolarHBondContact OD1-CB 3.45Å; N183-E185 PolarHBondContact OD1-N 2.84Å
186	H	96.9	Very high	96.8	Very high	44 Å²	44	50 Å²	50	20%	0.204	29%	0.289	C	S	.	.	S	Bend	trans	-64.4	151.2	-177.6	-65.7	174.1	0	0	0	113.2	K144 N183 T214 N216	K144-H186 WeakPolarHBondContact CE-O 3.47Å; K144-H186 PolarHBondContact NZ-O 3.46Å; N183-H186 HydrophobicContact CB-CB 4.33Å; N183-H186 PolarHBondContact O-N 3.28Å; H186-T214 WeakPolarHBondContact NE2-CB 3.22Å; H186-N216 WeakPolarHBondContact CB-ND2 3.13Å; H186-N216 PolarHBondContact O-ND2 2.79Å
187	T	95.6	Very high	96.8	Very high	92 Å²	92	51.9 Å²	51.9	56%	0.564	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-99	154.5	175	51.6	0	0	0	0	111.1	R215 N216	T187-R215 CarbonylContact O-C 3.58Å; T187-R215 WeakPolarHBondContact O-CA 3.2Å; T187-R215 WeakPolarHBondContact O-CB 3.44Å; T187-N216 PolarHBondContact O-N 3.06Å
188	C	95.6	Very high	96.7	Very high	41 Å²	41	56.3 Å²	56.3	28%	0.277	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-78.4	149.8	171.6	-63.7	0	0	0	0	110.6	N147 I152	N147-C188 PolarHBondContact N-SG 3.04Å; I152-C188 HydrophobicContact CD1-CB 4.48Å
189	G	92	Very high	96.6	Very high	23 Å²	23	58.9 Å²	58.9	24%	0.237	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-73.7	148.4	175.1	0	0	0	0	0	113.4	A191	G189-A191 PolarHBondContact O-N 2.88Å
190	T	93.4	Very high	96.5	Very high	143 Å²	143	64.6 Å²	64.6	88%	0.877	35%	0.354	S	S	*	.	S	Bend	trans	-76.1	0.4	173.9	51.4	0	0	0	0	114.2
191	A	94.9	Very high	96.3	Very high	63 Å²	63	65.6 Å²	65.6	52%	0.521	36%	0.364	S	S	.	.	S	Bend	trans	-139	159.3	176.9	0	0	0	0	0	109.2	G189	G189-A191 PolarHBondContact O-N 2.88Å
192	A	95.9	Very high	96	Very high	54 Å²	54	71.2 Å²	71.2	45%	0.446	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-56.6	130.5	-179.6	0	0	0	0	0	111.5	H194	A192-H194 PolarHBondContact O-ND1 2.88Å
193	P	95.3	Very high	95.8	Very high	25 Å²	25	74.5 Å²	74.5	16%	0.162	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-63	138	-178.7	26.3	-35.1	0	0	0	111.2	I152 Y195 P217	I152-P193 HydrophobicContact CG1-CG 4.21Å; P193-Y195 HydrophobicContact CB-CE1 4.39Å; P193-Y195 HydrophobicContact CB-CE2 4.27Å; P193-Y195 HydrophobicContact CG-CE1 4.44Å; P193-Y195 HydrophobicContact CG-CE2 3.78Å; P193-Y195 VanDerWaalsContact CG-OH 3.23Å; P193-Y195 WeakPolarHBondContact CG-OH 3.42Å; P193-P217 HydrophobicContact CB-CG 4.39Å; P193-P217 HydrophobicContact CG-CG 4.28Å
194	H	95.6	Very high	95.8	Very high	141 Å²	141	74.3 Å²	74.3	65%	0.653	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-94.4	123	177.1	-73.2	49.4	0	0	0	109	A192 K210	A192-H194 PolarHBondContact O-ND1 2.88Å; H194-K210 PolarHBondContact O-N 2.95Å
195	Y	97	Very high	95.8	Very high	71 Å²	71	74.4 Å²	74.4	28%	0.278	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.9	-172.5	-68.7	-67.9	0	0	0	112.3	Y180 P193 H207 P217 K220	Y180-Y195 WeakPolarHBondContact CE1-OH 3.28Å; P193-Y195 HydrophobicContact CB-CE1 4.39Å; P193-Y195 HydrophobicContact CB-CE2 4.27Å; P193-Y195 HydrophobicContact CG-CE1 4.44Å; P193-Y195 HydrophobicContact CG-CE2 3.78Å; P193-Y195 VanDerWaalsContact CG-OH 3.23Å; P193-Y195 WeakPolarHBondContact CG-OH 3.42Å; Y195-H207 HydrophobicContact CD1-CB 4Å; Y195-H207 HydrophobicContact CG-CB 4.25Å; Y195-P217 HydrophobicContact CE1-CG 4.22Å; Y195-P217 WeakPolarHBondContact OH-CG 3.18Å; Y195-K220 HydrophobicContact CD1-CB 3.93Å; Y195-K220 HydrophobicContact CD2-CD 4.43Å; Y195-K220 HydrophobicContact CE1-CB 3.44Å; Y195-K220 VanDerWaalsContact CE1-CB 3.44Å; Y195-K220 HydrophobicContact CE1-CD 4.41Å; Y195-K220 HydrophobicContact CE2-CD 4.04Å
196	Q	96.9	Very high	95.8	Very high	100 Å²	100	68 Å²	68	47%	0.467	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.8	167.2	-178.3	169.4	-39.7	0	0	108.6	L198 H207 T208	Q196-L198 PolarHBondContact O-N 2.84Å; Q196-H207 CarbonylContact O-C 3.5Å; Q196-H207 WeakPolarHBondContact O-CA 3.4Å; Q196-H207 WeakPolarHBondContact O-CB 3.32Å; Q196-T208 HydrophobicContact CB-CG2 4.39Å; Q196-T208 PolarHBondContact N-O 2.77Å; Q196-T208 PolarHBondContact O-N 3Å
197	L	97.6	Very high	95.9	Very high	91 Å²	91	67.9 Å²	67.9	48%	0.476	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	129.3	178.2	-173.8	69	0	0	0	110	K199 Q200	L197-K199 WeakPolarHBondContact CD1-O 3.14Å; L197-Q200 HydrophobicContact CD1-CB 4.37Å; L197-Q200 HydrophobicContact CD2-CB 4.28Å
198	L	96.3	Very high	95.9	Very high	98 Å²	98	66 Å²	66	51%	0.513	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-43.2	174.6	176.7	65.2	0	0	0	110.4	Q196 V206 L219	Q196-L198 PolarHBondContact O-N 2.84Å; L198-V206 WeakPolarHBondContact CA-O 3.32Å; L198-V206 WeakPolarHBondContact CB-O 3.34Å; L198-V206 HydrophobicContact CD2-CG1 4.38Å; L198-V206 PolarHBondContact N-O 3.38Å; L198-L219 HydrophobicContact CD2-CD2 4.31Å
199	K	96.8	Very high	95.8	Very high	59 Å²	59	64.9 Å²	64.9	26%	0.257	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	145.8	-177.2	-156	136.8	177.8	174	0	111.2	L197 S205 V206 A256 V257 E258	L197-K199 WeakPolarHBondContact CD1-O 3.14Å; K199-S205 CarbonylContact O-C 3.55Å; K199-S205 WeakPolarHBondContact O-CA 3.42Å; K199-V206 HydrophobicContact CB-CB 4.36Å; K199-V206 PolarHBondContact N-O 3.22Å; K199-V206 PolarHBondContact O-N 3.05Å; K199-A256 PolarHBondContact NZ-O 2.86Å; K199-V257 HydrophobicContact CD-CB 4.27Å; K199-V257 VanDerWaalsContact CD-O 3.3Å; K199-V257 WeakPolarHBondContact CD-O 3.12Å; K199-V257 WeakPolarHBondContact CE-O 3.05Å; K199-E258 VanDerWaalsContact CE-CG 3.4Å; K199-E258 WeakPolarHBondContact CE-OE1 3.36Å; K199-E258 IonicContact NZ-OE1 2.69Å; K199-E258 PolarHBondContact NZ-OE1 3.21Å
200	Q	96.8	Very high	95.7	Very high	120 Å²	120	70.6 Å²	70.6	56%	0.561	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	138	177.3	178.6	66.8	59.4	0	0	108	L197 Y204	L197-Q200 HydrophobicContact CD1-CB 4.37Å; L197-Q200 HydrophobicContact CD2-CB 4.28Å; Q200-Y204 PolarHBondContact NE2-O 3.42Å
201	G	94.9	Very high	95.4	Very high	22 Å²	22	66 Å²	66	23%	0.227	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-166.2	172.3	0	0	0	0	0	111.8	S203 Y204	G201-S203 PolarHBondContact O-N 2.92Å; G201-S203 VanDerWaalsContact O-N 3.13Å; G201-Y204 VanDerWaalsContact CA-CE1 3.5Å; G201-Y204 PolarHBondContact N-O 3.03Å; G201-Y204 PolarHBondContact O-N 3.16Å
202	D	92	Very high	94.9	Very high	136 Å²	136	73.6 Å²	73.6	73%	0.727	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	112.2	-171.1	-68.5	-32.6	0	0	0	112.1	Y204	D202-Y204 PolarHBondContact O-N 3.46Å
203	S	94.1	Very high	94.5	Very high	69 Å²	69	73.9 Å²	73.9	48%	0.483	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	23.5	-174.2	-49.2	0	0	0	0	115.3	G201 G224	G201-S203 PolarHBondContact O-N 2.92Å; G201-S203 VanDerWaalsContact O-N 3.13Å; S203-G224 WeakPolarHBondContact O-CA 3.29Å; S203-G224 PolarHBondContact O-N 2.85Å
204	Y	97.9	Very high	94.3	Very high	17 Å²	17	77.7 Å²	77.7	7%	0.067	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.5	171.8	82	-80.8	0	0	0	113.5	Q200 G201 D202 V206 W221 S222 F252 V257 L259	Q200-Y204 PolarHBondContact NE2-O 3.42Å; G201-Y204 VanDerWaalsContact CA-CE1 3.5Å; G201-Y204 PolarHBondContact N-O 3.03Å; G201-Y204 PolarHBondContact O-N 3.16Å; D202-Y204 PolarHBondContact O-N 3.46Å; Y204-V206 HydrophobicContact CD2-CG2 4.23Å; Y204-V206 HydrophobicContact CE2-CG2 4.43Å; Y204-W221 AromaticContact CD2-NE1 3.61Å; Y204-S222 CarbonylContact C-O 3.56Å; Y204-S222 VanDerWaalsContact CA-O 3.25Å; Y204-S222 WeakPolarHBondContact CA-O 3.41Å; Y204-S222 WeakPolarHBondContact CB-O 3.35Å; Y204-F252 AromaticContact CD1-CE1 3.76Å; Y204-F252 HydrophobicContact CD1-CE1 3.76Å; Y204-F252 HydrophobicContact CD1-CZ 4.46Å; Y204-F252 AromaticContact CD2-CE1 3.8Å; Y204-F252 HydrophobicContact CD2-CE1 3.8Å; Y204-F252 HydrophobicContact CE1-CE1 4.13Å; Y204-F252 HydrophobicContact CE2-CE1 4.16Å; Y204-F252 AromaticContact CG-CE1 3.58Å; Y204-F252 HydrophobicContact CG-CE1 3.58Å; Y204-F252 HydrophobicContact CG-CZ 4.09Å; Y204-V257 PolarHBondContact OH-O 2.87Å; Y204-L259 HydrophobicContact CD1-CB 4.3Å; Y204-L259 HydrophobicContact CD1-CD2 4.49Å; Y204-L259 HydrophobicContact CE1-CB 3.7Å; Y204-L259 HydrophobicContact CE1-CD2 4.42Å
205	S	98.2	Very high	94.2	Very high	18 Å²	18	75.6 Å²	75.6	13%	0.126	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.9	173	62.9	0	0	0	0	112	K199 H207 W221 S222	K199-S205 CarbonylContact O-C 3.55Å; K199-S205 WeakPolarHBondContact O-CA 3.42Å; S205-H207 PolarHBondContact OG-CE1 3.42Å; S205-W221 CarbonylContact O-C 3.52Å; S205-S222 PolarHBondContact N-O 2.96Å; S205-S222 PolarHBondContact O-N 2.85Å
206	V	98.4	Very high	94.2	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.2	179.4	-171.1	0	0	0	0	109.8	L198 K199 Y204 K220 W221 V257	L198-V206 WeakPolarHBondContact CA-O 3.32Å; L198-V206 WeakPolarHBondContact CB-O 3.34Å; L198-V206 HydrophobicContact CD2-CG1 4.38Å; L198-V206 PolarHBondContact N-O 3.38Å; K199-V206 HydrophobicContact CB-CB 4.36Å; K199-V206 PolarHBondContact N-O 3.22Å; K199-V206 PolarHBondContact O-N 3.05Å; Y204-V206 HydrophobicContact CD2-CG2 4.23Å; Y204-V206 HydrophobicContact CE2-CG2 4.43Å; V206-K220 CarbonylContact C-O 3.6Å; V206-K220 WeakPolarHBondContact CA-O 3.33Å; V206-W221 HydrophobicContact CG2-CB 4.22Å; V206-W221 VanDerWaalsContact CG2-CD1 3.48Å; V206-W221 HydrophobicContact CG2-CD2 3.6Å; V206-W221 HydrophobicContact CG2-CE3 4.35Å; V206-W221 HydrophobicContact CG2-CG 3.51Å; V206-W221 HydrophobicContact CG2-CZ2 4.32Å; V206-V257 HydrophobicContact CB-CG1 3.82Å; V206-V257 HydrophobicContact CG1-CG1 3.98Å; V206-V257 HydrophobicContact CG2-CG1 3.37Å
207	H	98.1	Very high	94.3	Very high	42 Å²	42	67.5 Å²	67.5	19%	0.194	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143	-177	-58.4	69.3	0	0	0	110	Y195 Q196 S205 L219 K220	Y195-H207 HydrophobicContact CD1-CB 4Å; Y195-H207 HydrophobicContact CG-CB 4.25Å; Q196-H207 CarbonylContact O-C 3.5Å; Q196-H207 WeakPolarHBondContact O-CA 3.4Å; Q196-H207 WeakPolarHBondContact O-CB 3.32Å; S205-H207 PolarHBondContact OG-CE1 3.42Å; H207-L219 CarbonylContact O-C 3.58Å; H207-L219 WeakPolarHBondContact O-CA 3.32Å; H207-K220 PolarHBondContact N-O 3.42Å; H207-K220 PolarHBondContact O-N 2.77Å
208	T	96.7	Very high	94.2	Very high	54 Å²	54	65.5 Å²	65.5	33%	0.331	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	149.5	169.9	-179.3	0	0	0	0	110.6	Q196 K210	Q196-T208 HydrophobicContact CB-CG2 4.39Å; Q196-T208 PolarHBondContact N-O 2.77Å; Q196-T208 PolarHBondContact O-N 3Å; T208-K210 PolarHBondContact O-N 3.37Å
209	C	92.9	Very high	94.3	Very high	17 Å²	17	62.7 Å²	62.7	12%	0.115	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	110.5	175.7	-179.3	0	0	0	0	111	S211 P217 L218	C209-S211 PolarHBondContact O-N 3.46Å; C209-S211 VanDerWaalsContact O-N 3.17Å; C209-P217 WeakPolarHBondContact CB-O 3.47Å; C209-L218 PolarHBondContact N-O 2.72Å
210	K	90.4	Very high	94.4	Very high	142 Å²	142	61.9 Å²	61.9	62%	0.617	33%	0.325	S	S	*	.			trans	-71.8	108.5	178.6	-171.1	169	-169	152.2	0	110.6	H194 T208	H194-K210 PolarHBondContact O-N 2.95Å; T208-K210 PolarHBondContact O-N 3.37Å
211	S	86.8	Confident	94.5	Very high	48 Å²	48	56.4 Å²	56.4	34%	0.336	30%	0.299	S	S	.	.			trans	-144.2	155.2	-172.5	-179.1	0	0	0	0	112.4	C209 S213 R215	C209-S211 PolarHBondContact O-N 3.46Å; C209-S211 VanDerWaalsContact O-N 3.17Å; S211-S213 VanDerWaalsContact CB-O 3.31Å; S211-S213 WeakPolarHBondContact CB-O 3.43Å; S211-S213 PolarHBondContact OG-N 3.3Å; S211-S213 PolarHBondContact OG-O 3.2Å; S211-R215 WeakPolarHBondContact OG-CD 3.47Å; S211-R215 VanDerWaalsContact OG-CZ 3.27Å; S211-R215 PolarHBondContact OG-NE 2.72Å
212	K	84.7	Confident	94.6	Very high	221 Å²	221	56.9 Å²	56.9	96%	0.961	30%	0.299	S	S	*	.	S	Bend	trans	-91.8	-4.6	168.8	-64.6	-169.3	178.7	-174.9	0	113.7
213	S	88	Confident	94.9	Very high	60 Å²	60	50.5 Å²	50.5	42%	0.42	27%	0.265	S	S	.	.	S	Bend	trans	-135.5	157.9	175.5	77.8	0	0	0	0	110.4	S211 R215	S211-S213 VanDerWaalsContact CB-O 3.31Å; S211-S213 WeakPolarHBondContact CB-O 3.43Å; S211-S213 PolarHBondContact OG-N 3.3Å; S211-S213 PolarHBondContact OG-O 3.2Å; S213-R215 PolarHBondContact O-N 3.03Å; S213-R215 PolarHBondContact OG-NE 2.86Å; S213-R215 PolarHBondContact OG-NH2 3.26Å
214	T	89.8	Confident	94.9	Very high	106 Å²	106	48.4 Å²	48.4	65%	0.65	25%	0.254	S	S	*	.			trans	-55.3	136.3	159.4	43.1	0	0	0	0	109.6	H186	H186-T214 WeakPolarHBondContact NE2-CB 3.22Å
215	R	94.7	Very high	94.7	Very high	96 Å²	96	51.4 Å²	51.4	36%	0.362	27%	0.272	S	S	.	.			trans	-169.4	165.2	176.9	62.1	-175.2	64.1	174.4	3.2	110	T187 S211 S213	T187-R215 CarbonylContact O-C 3.58Å; T187-R215 WeakPolarHBondContact O-CA 3.2Å; T187-R215 WeakPolarHBondContact O-CB 3.44Å; S211-R215 WeakPolarHBondContact OG-CD 3.47Å; S211-R215 VanDerWaalsContact OG-CZ 3.27Å; S211-R215 PolarHBondContact OG-NE 2.72Å; S213-R215 PolarHBondContact O-N 3.03Å; S213-R215 PolarHBondContact OG-NE 2.86Å; S213-R215 PolarHBondContact OG-NH2 3.26Å
216	N	97.1	Very high	94.6	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.011	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-93.6	149.4	170	-77.2	-39.5	0	0	0	111.6	Y182 N183 H186 T187	Y182-N216 WeakPolarHBondContact CA-OD1 3.49Å; Y182-N216 HydrophobicContact CD1-CB 3.62Å; Y182-N216 HydrophobicContact CE1-CB 4.02Å; N183-N216 PolarHBondContact N-OD1 3.25Å; N183-N216 PolarHBondContact O-ND2 3.02Å; H186-N216 WeakPolarHBondContact CB-ND2 3.13Å; H186-N216 PolarHBondContact O-ND2 2.79Å; T187-N216 PolarHBondContact O-N 3.06Å
217	P	97.5	Very high	94.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.292	C	S	.	.			cis	-78.6	155.3	-4.4	35.4	-33.5	0	0	0	110.9	I152 Y180 P193 Y195 C209	I152-P217 HydrophobicContact CD1-CG 4.32Å; I152-P217 HydrophobicContact CG1-CG 4.48Å; I152-P217 HydrophobicContact CG2-CB 4.36Å; I152-P217 HydrophobicContact CG2-CG 3.87Å; Y180-P217 HydrophobicContact CD1-CB 4.34Å; Y180-P217 HydrophobicContact CD1-CG 4.34Å; P193-P217 HydrophobicContact CB-CG 4.39Å; P193-P217 HydrophobicContact CG-CG 4.28Å; Y195-P217 HydrophobicContact CE1-CG 4.22Å; Y195-P217 WeakPolarHBondContact OH-CG 3.18Å; C209-P217 WeakPolarHBondContact CB-O 3.47Å
218	L	97.4	Very high	94.6	Very high	48 Å²	48	51.3 Å²	51.3	25%	0.251	28%	0.283	S	S	.	.	S	Bend	trans	-71.4	-52	172.3	-63.3	-178.7	0	0	0	110.6	L169 L181 N183 C209	L169-L218 HydrophobicContact CD2-CD1 3.76Å; L181-L218 HydrophobicContact CB-CB 4.39Å; L181-L218 HydrophobicContact CD2-CB 4.34Å; L181-L218 HydrophobicContact CD2-CD1 3.95Å; L181-L218 HydrophobicContact CG-CB 4.47Å; L181-L218 HydrophobicContact CG-CD1 4.19Å; L181-L218 PolarHBondContact O-N 2.71Å; N183-L218 HydrophobicContact CB-CD1 4.19Å; C209-L218 PolarHBondContact N-O 2.72Å
219	L	97.4	Very high	94.7	Very high	40 Å²	40	49.8 Å²	49.8	21%	0.209	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.6	-174.7	-53.9	176.6	0	0	0	110.6	Y180 L181 L198 H207	Y180-L219 WeakPolarHBondContact CA-O 3.36Å; L181-L219 HydrophobicContact CB-CB 3.98Å; L181-L219 HydrophobicContact CB-CD1 4.15Å; L181-L219 HydrophobicContact CB-CG 4.15Å; L181-L219 HydrophobicContact CD2-CD1 3.73Å; L181-L219 HydrophobicContact CD2-CG 4.14Å; L181-L219 PolarHBondContact N-O 3.06Å; L198-L219 HydrophobicContact CD2-CD2 4.31Å; H207-L219 CarbonylContact O-C 3.58Å; H207-L219 WeakPolarHBondContact O-CA 3.32Å
220	K	98.4	Very high	95	Very high	41 Å²	41	50.5 Å²	50.5	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.8	158.5	174.8	178.2	-177.2	143.6	0	109.2	S178 M179 Y180 Y195 V206 H207 S222	S178-K220 WeakPolarHBondContact OG-CE 3Å; S178-K220 PolarHBondContact OG-NZ 3.14Å; S178-K220 VanDerWaalsContact OG-NZ 3.12Å; M179-K220 WeakPolarHBondContact O-CA 3.33Å; Y180-K220 HydrophobicContact CD1-CB 3.88Å; Y180-K220 HydrophobicContact CD1-CG 4.01Å; Y180-K220 HydrophobicContact CE1-CB 3.83Å; Y180-K220 HydrophobicContact CE1-CD 3.65Å; Y180-K220 HydrophobicContact CE1-CG 3.54Å; Y180-K220 PolarHBondContact OH-NZ 2.81Å; Y195-K220 HydrophobicContact CD1-CB 3.93Å; Y195-K220 HydrophobicContact CD2-CD 4.43Å; Y195-K220 HydrophobicContact CE1-CB 3.44Å; Y195-K220 VanDerWaalsContact CE1-CB 3.44Å; Y195-K220 HydrophobicContact CE1-CD 4.41Å; Y195-K220 HydrophobicContact CE2-CD 4.04Å; V206-K220 CarbonylContact C-O 3.6Å; V206-K220 WeakPolarHBondContact CA-O 3.33Å; H207-K220 PolarHBondContact N-O 3.42Å; H207-K220 PolarHBondContact O-N 2.77Å; K220-S222 WeakPolarHBondContact CE-OG 3.23Å
221	W	98.3	Very high	95.4	Very high	6 Å²	6	43.9 Å²	43.9	2%	0.023	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.6	172.6	-154.8	-39.1	0	0	0	108.1	S178 M179 Y204 S205 V206 V223 L240 F252 F254 V257	S178-W221 CarbonylContact C-O 3.56Å; S178-W221 VanDerWaalsContact CA-O 3.29Å; S178-W221 WeakPolarHBondContact CA-O 3.35Å; M179-W221 HydrophobicContact CB-CB 4.19Å; M179-W221 HydrophobicContact CE-CB 3.85Å; M179-W221 HydrophobicContact CE-CD2 3.66Å; M179-W221 HydrophobicContact CE-CE3 3.9Å; M179-W221 HydrophobicContact CE-CG 3.64Å; M179-W221 PolarHBondContact N-O 2.88Å; M179-W221 PolarHBondContact O-N 2.94Å; Y204-W221 AromaticContact CD2-NE1 3.61Å; S205-W221 CarbonylContact O-C 3.52Å; V206-W221 HydrophobicContact CG2-CB 4.22Å; V206-W221 VanDerWaalsContact CG2-CD1 3.48Å; V206-W221 HydrophobicContact CG2-CD2 3.6Å; V206-W221 HydrophobicContact CG2-CE3 4.35Å; V206-W221 HydrophobicContact CG2-CG 3.51Å; V206-W221 HydrophobicContact CG2-CZ2 4.32Å; W221-V223 HydrophobicContact CG-CG2 4.17Å; W221-L240 HydrophobicContact CZ3-CD2 4.46Å; W221-F252 HydrophobicContact CH2-CB 3.95Å; W221-F252 HydrophobicContact CH2-CG 4.25Å; W221-F252 HydrophobicContact CZ2-CB 3.74Å; W221-F252 AromaticContact CZ2-CD1 3.59Å; W221-F252 HydrophobicContact CZ2-CD1 3.59Å; W221-F252 HydrophobicContact CZ2-CD2 4.11Å; W221-F252 HydrophobicContact CZ2-CE1 4.19Å; W221-F252 AromaticContact CZ2-CG 3.54Å; W221-F252 HydrophobicContact CZ2-CG 3.54Å; W221-F252 AromaticContact NE1-CE1 3.97Å; W221-F254 HydrophobicContact CZ3-CD2 4.1Å; W221-F254 HydrophobicContact CZ3-CE2 4.36Å; W221-V257 HydrophobicContact CH2-CB 4.38Å; W221-V257 HydrophobicContact CH2-CG1 3.84Å; W221-V257 HydrophobicContact CZ2-CG1 3.9Å; W221-V257 HydrophobicContact CZ3-CG1 4.2Å
222	S	98.3	Very high	95.9	Very high	32 Å²	32	42.6 Å²	42.6	22%	0.224	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.5	173.8	-46	0	0	0	0	108.1	Y204 S205 K220	Y204-S222 CarbonylContact C-O 3.56Å; Y204-S222 VanDerWaalsContact CA-O 3.25Å; Y204-S222 WeakPolarHBondContact CA-O 3.41Å; Y204-S222 WeakPolarHBondContact CB-O 3.35Å; S205-S222 PolarHBondContact N-O 2.96Å; S205-S222 PolarHBondContact O-N 2.85Å; K220-S222 WeakPolarHBondContact CE-OG 3.23Å
223	V	97.8	Very high	96.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	116.2	-169.6	-176.9	0	0	0	0	110	G177 M179 W221 L228 C242 F252	G177-V223 PolarHBondContact O-N 2.93Å; M179-V223 HydrophobicContact CE-CG2 4.07Å; W221-V223 HydrophobicContact CG-CG2 4.17Å; V223-L228 HydrophobicContact CB-CD1 4.17Å; V223-L228 HydrophobicContact CG2-CD1 4.32Å; V223-C242 HydrophobicContact CG1-CB 4.48Å; V223-F252 HydrophobicContact CG1-CE2 4.04Å; V223-F252 HydrophobicContact CG1-CZ 4.1Å; V223-F252 HydrophobicContact CG2-CE2 4.28Å; V223-F252 HydrophobicContact CG2-CZ 4.34Å
224	G	94.1	Very high	97.1	Very high	25 Å²	25	30.8 Å²	30.8	26%	0.258	18%	0.18	S	C	.	.	S	Bend	trans	69.3	-154.4	174.9	0	0	0	0	0	115.1	S203 D246 R250	S203-G224 WeakPolarHBondContact O-CA 3.29Å; S203-G224 PolarHBondContact O-N 2.85Å; G224-D246 WeakPolarHBondContact CA-OD2 3.45Å; G224-R250 VanDerWaalsContact CA-NH1 3.31Å
225	D	93.1	Very high	97.5	Very high	81 Å²	81	29.3 Å²	29.3	43%	0.433	17%	0.172	S	C	.	.	S	Bend	trans	-121.2	144.8	168.1	-102.9	-50.3	0	0	0	110.4	D246 K527	D225-D246 PolarHBondContact N-OD2 2.89Å; D225-D246 VanDerWaalsContact N-OD2 3.1Å; D225-D246 WeakPolarHBondContact O-CB 3.43Å; D225-D246 PolarHBondContact O-N 3.15Å; D225-K527 IonicContact OD1-NZ 2.69Å; D225-K527 PolarHBondContact OD1-NZ 3.34Å; D225-K527 IonicContact OD2-NZ 2.67Å; D225-K527 PolarHBondContact OD2-NZ 3.12Å
226	G	96.6	Very high	97.6	Very high	40 Å²	40	28.6 Å²	28.6	41%	0.412	18%	0.175	S	C	.	.	S	Bend	trans	84.2	-159.3	-177.3	0	0	0	0	0	113.9	G177	G177-G226 WeakPolarHBondContact CA-O 3.48Å; G177-G226 PolarHBondContact N-O 2.88Å
227	A	98	Very high	97.6	Very high	17 Å²	17	29.1 Å²	29.1	14%	0.14	18%	0.182	C	C	.	.			trans	-75.8	143	-178.9	0	0	0	0	0	111.8	A175 S244 Q245	A175-A227 HydrophobicContact CB-CB 4.15Å; A175-A227 WeakPolarHBondContact O-CA 3.47Å; A227-S244 CarbonylContact O-C 3.49Å; A227-S244 VanDerWaalsContact O-CA 3.28Å; A227-S244 WeakPolarHBondContact O-CA 3.39Å; A227-S244 WeakPolarHBondContact O-CB 3.45Å; A227-Q245 HydrophobicContact CB-CB 4.27Å; A227-Q245 PolarHBondContact O-N 2.94Å
228	L	98.5	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114.3	162.4	-161.4	171.8	0	0	0	106.9	T158 M179 V223 E230 F231 C242	T158-L228 VanDerWaalsContact CB-O 3.28Å; T158-L228 WeakPolarHBondContact CB-O 3.35Å; T158-L228 WeakPolarHBondContact CG2-O 3.33Å; T158-L228 PolarHBondContact OG1-O 2.99Å; M179-L228 HydrophobicContact CG-CD1 3.41Å; M179-L228 VanDerWaalsContact CG-CD1 3.41Å; M179-L228 HydrophobicContact SD-CD1 3.6Å; V223-L228 HydrophobicContact CB-CD1 4.17Å; V223-L228 HydrophobicContact CG2-CD1 4.32Å; L228-E230 VanDerWaalsContact CD2-O 3.27Å; L228-E230 WeakPolarHBondContact CD2-O 3.41Å; L228-F231 HydrophobicContact CD2-CB 4.35Å; L228-C242 HydrophobicContact CD1-CB 4.29Å; L228-C242 HydrophobicContact CD2-CB 4.42Å; L228-C242 HydrophobicContact CG-CB 4.45Å
229	N	98.6	Very high	97.6	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.123	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-45.7	-167.1	-73.9	-34.7	0	0	0	112.2	V243 Q245 L270	N229-V243 PolarHBondContact N-O 2.91Å; N229-Q245 PolarHBondContact ND2-OE1 2.79Å; N229-L270 PolarHBondContact ND2-O 2.95Å
230	E	98.8	Very high	97.7	Very high	31 Å²	31	31.6 Å²	31.6	15%	0.145	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.5	174.8	-160.3	161.6	-114.2	0	0	110.3	K54 L228 V243 C272 V273	K54-E230 IonicContact NZ-OE1 3.78Å; K54-E230 PolarHBondContact NZ-OE1 2.96Å; L228-E230 VanDerWaalsContact CD2-O 3.27Å; L228-E230 WeakPolarHBondContact CD2-O 3.41Å; E230-V243 HydrophobicContact CB-CG2 4Å; E230-V243 WeakPolarHBondContact O-CG2 3.34Å; E230-V243 PolarHBondContact O-N 2.81Å; E230-C272 WeakPolarHBondContact OE2-CA 3.09Å; E230-C272 WeakPolarHBondContact OE2-CB 3.32Å; E230-V273 HydrophobicContact CB-CG1 4.49Å; E230-V273 PolarHBondContact OE2-N 2.88Å
231	F	98.9	Very high	97.7	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153	168.3	71.1	-97.5	0	0	0	110.5	C159 K161 L171 M179 L228 F233 L240 A241 C242	C159-F231 HydrophobicContact CB-CD1 3.83Å; C159-F231 HydrophobicContact CB-CE1 3.74Å; K161-F231 HydrophobicContact CB-CE2 3.71Å; K161-F231 HydrophobicContact CB-CZ 3.91Å; K161-F231 HydrophobicContact CG-CE2 3.87Å; K161-F231 HydrophobicContact CG-CZ 4.18Å; L171-F231 HydrophobicContact CB-CE2 4.2Å; L171-F231 HydrophobicContact CB-CZ 3.88Å; L171-F231 HydrophobicContact CD2-CD2 4.17Å; L171-F231 HydrophobicContact CD2-CE1 4.43Å; L171-F231 HydrophobicContact CD2-CE2 3.76Å; L171-F231 HydrophobicContact CD2-CZ 3.91Å; L171-F231 HydrophobicContact CG-CE1 4.41Å; L171-F231 HydrophobicContact CG-CE2 4.26Å; L171-F231 HydrophobicContact CG-CZ 3.92Å; M179-F231 HydrophobicContact SD-CD1 4.31Å; L228-F231 HydrophobicContact CD2-CB 4.35Å; F231-F233 HydrophobicContact CE2-CD2 4.38Å; F231-F233 AromaticContact CE2-CE2 4Å; F231-F233 HydrophobicContact CE2-CE2 4Å; F231-L240 HydrophobicContact CB-CD1 4.27Å; F231-L240 HydrophobicContact CD2-CD1 3.52Å; F231-L240 HydrophobicContact CE2-CD1 4.23Å; F231-L240 HydrophobicContact CG-CD1 4.22Å; F231-A241 CarbonylContact C-O 3.54Å; F231-A241 WeakPolarHBondContact CA-O 3.43Å; F231-A241 WeakPolarHBondContact CB-O 3.38Å; F231-C242 HydrophobicContact CB-CB 4.48Å
232	A	98.9	Very high	97.7	Very high	21 Å²	21	29.4 Å²	29.4	17%	0.174	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131	176.2	0	0	0	0	0	110.7	A241 V273 W275	A232-A241 PolarHBondContact N-O 2.98Å; A232-A241 PolarHBondContact O-N 3.46Å; A232-V273 HydrophobicContact CB-CG1 4.16Å; A232-W275 PolarHBondContact O-NE1 2.68Å
233	F	98.8	Very high	97.8	Very high	26 Å²	26	27.9 Å²	27.9	11%	0.114	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	150.8	166.2	-71.9	-85.1	0	0	0	110.5	K161 V163 P164 L171 F231 F239 L240 F254 W275	K161-F233 HydrophobicContact CB-CD2 4.48Å; K161-F233 HydrophobicContact CB-CE2 4.27Å; V163-F233 HydrophobicContact CG2-CZ 4.19Å; P164-F233 HydrophobicContact CG-CB 3.73Å; P164-F233 HydrophobicContact CG-CD1 4.04Å; P164-F233 HydrophobicContact CG-CD2 4.01Å; P164-F233 HydrophobicContact CG-CG 3.68Å; L171-F233 HydrophobicContact CB-CZ 4.46Å; L171-F233 HydrophobicContact CD2-CZ 4.16Å; F231-F233 HydrophobicContact CE2-CD2 4.38Å; F231-F233 AromaticContact CE2-CE2 4Å; F231-F233 HydrophobicContact CE2-CE2 4Å; F233-F239 CarbonylContact C-O 3.46Å; F233-F239 VanDerWaalsContact CA-O 3.3Å; F233-F239 WeakPolarHBondContact CA-O 3.48Å; F233-L240 HydrophobicContact CD1-CD1 4.03Å; F233-L240 HydrophobicContact CD2-CD1 4.27Å; F233-L240 HydrophobicContact CE1-CD1 4.05Å; F233-L240 HydrophobicContact CE2-CD1 4.29Å; F233-L240 HydrophobicContact CG-CD1 4.15Å; F233-L240 HydrophobicContact CZ-CD1 4.17Å; F233-F254 HydrophobicContact CE1-CD1 4.09Å; F233-F254 AromaticContact CE1-CD2 3.72Å; F233-F254 HydrophobicContact CE1-CD2 3.72Å; F233-F254 HydrophobicContact CE1-CE1 4.11Å; F233-F254 AromaticContact CE1-CE2 3.74Å; F233-F254 HydrophobicContact CE1-CE2 3.74Å; F233-F254 AromaticContact CE1-CG 3.89Å; F233-F254 HydrophobicContact CE1-CG 3.89Å; F233-F254 AromaticContact CE1-CZ 3.93Å; F233-F254 HydrophobicContact CE1-CZ 3.93Å; F233-F254 HydrophobicContact CZ-CD2 4.34Å; F233-F254 AromaticContact CZ-CE2 3.92Å; F233-F254 HydrophobicContact CZ-CE2 3.92Å; F233-F254 HydrophobicContact CZ-CZ 4Å; F233-W275 PolarHBondContact O-NE1 3.15Å
234	S	98.5	Very high	97.8	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.042	17%	0.168	C	C	.	.			trans	-64.3	159.1	167.2	54.4	0	0	0	0	111.1	D236 G237 K238 F239	S234-D236 VanDerWaalsContact CB-OD1 3.3Å; S234-D236 WeakPolarHBondContact CB-OD1 3.48Å; S234-D236 PolarHBondContact O-N 3.14Å; S234-D236 PolarHBondContact OG-OD1 2.77Å; S234-G237 PolarHBondContact O-N 3.3Å; S234-G237 PolarHBondContact OG-N 2.97Å; S234-K238 PolarHBondContact OG-N 2.68Å; S234-F239 PolarHBondContact N-O 3.05Å; S234-F239 PolarHBondContact OG-N 3.25Å; S234-F239 PolarHBondContact OG-O 2.98Å
235	P	97.3	Very high	98	Very high	75 Å²	75	30 Å²	30	49%	0.487	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.4	177.8	-24.9	34.7	0	0	0	113.7	G237 W275 S276 P277	P235-G237 VanDerWaalsContact C-N 3.33Å; P235-W275 HydrophobicContact CG-CB 4.44Å; P235-S276 VanDerWaalsContact CG-O 3.27Å; P235-S276 WeakPolarHBondContact CG-O 3.46Å; P235-P277 WeakPolarHBondContact CB-O 3.42Å; P235-P277 WeakPolarHBondContact CG-O 3.36Å
236	D	96.3	Very high	98.2	Very high	81 Å²	81	28 Å²	28	43%	0.433	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.2	176.4	80.3	-28.6	0	0	0	114.1	S234 K238	S234-D236 VanDerWaalsContact CB-OD1 3.3Å; S234-D236 WeakPolarHBondContact CB-OD1 3.48Å; S234-D236 PolarHBondContact O-N 3.14Å; S234-D236 PolarHBondContact OG-OD1 2.77Å; D236-K238 PolarHBondContact O-N 2.77Å; D236-K238 VanDerWaalsContact O-N 3.12Å; D236-K238 PolarHBondContact OD1-N 2.8Å; D236-K238 WeakPolarHBondContact OD2-CD 3.38Å; D236-K238 VanDerWaalsContact OD2-CG 3.32Å; D236-K238 WeakPolarHBondContact OD2-CG 3.39Å; D236-K238 IonicContact OD2-NZ 2.64Å; D236-K238 PolarHBondContact OD2-NZ 2.96Å
237	G	97.1	Very high	98.2	Very high	14 Å²	14	26 Å²	26	14%	0.144	14%	0.141	C	C	.	.	S	Bend	trans	74	-13.9	178.9	0	0	0	0	0	116.8	S234 P235 F239	S234-G237 PolarHBondContact O-N 3.3Å; S234-G237 PolarHBondContact OG-N 2.97Å; P235-G237 VanDerWaalsContact C-N 3.33Å; G237-F239 PolarHBondContact O-N 2.93Å
238	K	98	Very high	98.2	Very high	106 Å²	106	26.1 Å²	26.1	46%	0.461	14%	0.138	S	C	.	.	S	Bend	trans	-76.6	-20.4	-169.9	-55.5	-169.7	-160.8	90.9	0	114.4	S234 D236 F254	S234-K238 PolarHBondContact OG-N 2.68Å; D236-K238 PolarHBondContact O-N 2.77Å; D236-K238 VanDerWaalsContact O-N 3.12Å; D236-K238 PolarHBondContact OD1-N 2.8Å; D236-K238 WeakPolarHBondContact OD2-CD 3.38Å; D236-K238 VanDerWaalsContact OD2-CG 3.32Å; D236-K238 WeakPolarHBondContact OD2-CG 3.39Å; D236-K238 IonicContact OD2-NZ 2.64Å; D236-K238 PolarHBondContact OD2-NZ 2.96Å; K238-F254 WeakPolarHBondContact O-CB 3.41Å; K238-F254 PolarHBondContact O-N 2.68Å
239	F	98.8	Very high	98.2	Very high	33 Å²	33	26.1 Å²	26.1	15%	0.145	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.4	-176.8	-65	-92.4	0	0	0	112	F233 S234 G237 V251 F252 N253 H260 W275 F296	F233-F239 CarbonylContact C-O 3.46Å; F233-F239 VanDerWaalsContact CA-O 3.3Å; F233-F239 WeakPolarHBondContact CA-O 3.48Å; S234-F239 PolarHBondContact N-O 3.05Å; S234-F239 PolarHBondContact OG-N 3.25Å; S234-F239 PolarHBondContact OG-O 2.98Å; G237-F239 PolarHBondContact O-N 2.93Å; F239-V251 HydrophobicContact CB-CG1 4.48Å; F239-F252 CarbonylContact C-O 3.56Å; F239-F252 WeakPolarHBondContact CA-O 3.06Å; F239-F252 WeakPolarHBondContact CD1-O 3.46Å; F239-N253 HydrophobicContact CD1-CB 4.05Å; F239-N253 HydrophobicContact CE1-CB 3.76Å; F239-H260 HydrophobicContact CD1-CB 4.39Å; F239-H260 HydrophobicContact CE1-CB 4.24Å; F239-W275 HydrophobicContact CB-CH2 3.7Å; F239-W275 HydrophobicContact CB-CZ2 3.83Å; F239-F296 HydrophobicContact CB-CE2 4.48Å; F239-F296 AromaticContact CD1-CE2 3.8Å; F239-F296 HydrophobicContact CD1-CE2 3.8Å; F239-F296 AromaticContact CD1-CZ 3.82Å; F239-F296 HydrophobicContact CD1-CZ 3.82Å; F239-F296 HydrophobicContact CD2-CE2 4.34Å; F239-F296 AromaticContact CD2-CZ 3.87Å; F239-F296 HydrophobicContact CD2-CZ 3.87Å; F239-F296 HydrophobicContact CE1-CE2 4.09Å; F239-F296 AromaticContact CE1-CZ 3.71Å; F239-F296 HydrophobicContact CE1-CZ 3.71Å; F239-F296 AromaticContact CE2-CZ 3.77Å; F239-F296 HydrophobicContact CE2-CZ 3.77Å; F239-F296 AromaticContact CG-CE2 3.95Å; F239-F296 HydrophobicContact CG-CE2 3.95Å; F239-F296 AromaticContact CG-CZ 3.91Å; F239-F296 HydrophobicContact CG-CZ 3.91Å; F239-F296 HydrophobicContact CZ-CE2 4.49Å; F239-F296 AromaticContact CZ-CZ 3.69Å; F239-F296 HydrophobicContact CZ-CZ 3.69Å
240	L	98.8	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	111.8	-176	-177.8	68.6	0	0	0	109.4	L171 M179 W221 F231 F233 V251 F252 F254	L171-L240 HydrophobicContact CD2-CD1 4.09Å; L171-L240 HydrophobicContact CD2-CD2 3.67Å; M179-L240 HydrophobicContact CE-CD2 3.7Å; M179-L240 HydrophobicContact SD-CD2 4.2Å; W221-L240 HydrophobicContact CZ3-CD2 4.46Å; F231-L240 HydrophobicContact CB-CD1 4.27Å; F231-L240 HydrophobicContact CD2-CD1 3.52Å; F231-L240 HydrophobicContact CE2-CD1 4.23Å; F231-L240 HydrophobicContact CG-CD1 4.22Å; F233-L240 HydrophobicContact CD1-CD1 4.03Å; F233-L240 HydrophobicContact CD2-CD1 4.27Å; F233-L240 HydrophobicContact CE1-CD1 4.05Å; F233-L240 HydrophobicContact CE2-CD1 4.29Å; F233-L240 HydrophobicContact CG-CD1 4.15Å; F233-L240 HydrophobicContact CZ-CD1 4.17Å; L240-V251 WeakPolarHBondContact O-CA 3.42Å; L240-F252 PolarHBondContact N-O 2.89Å; L240-F252 PolarHBondContact O-N 2.95Å; L240-F254 HydrophobicContact CB-CD2 4.31Å; L240-F254 HydrophobicContact CD2-CD2 4.03Å; L240-F254 HydrophobicContact CD2-CE2 4.32Å
241	A	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124	173.8	0	0	0	0	0	109.8	F231 A232 L249 V251 V273 W275 I282	F231-A241 CarbonylContact C-O 3.54Å; F231-A241 WeakPolarHBondContact CA-O 3.43Å; F231-A241 WeakPolarHBondContact CB-O 3.38Å; A232-A241 PolarHBondContact N-O 2.98Å; A232-A241 PolarHBondContact O-N 3.46Å; A241-L249 HydrophobicContact CB-CD1 4.14Å; A241-V251 HydrophobicContact CB-CG2 4.39Å; A241-V273 HydrophobicContact CB-CG2 4.03Å; A241-W275 HydrophobicContact CB-CZ2 3.9Å; A241-I282 HydrophobicContact CB-CD1 4.02Å
242	C	98.8	Very high	98.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.9	178.2	-63	0	0	0	0	110.8	V223 L228 F231 L249 R250 F252	V223-C242 HydrophobicContact CG1-CB 4.48Å; L228-C242 HydrophobicContact CD1-CB 4.29Å; L228-C242 HydrophobicContact CD2-CB 4.42Å; L228-C242 HydrophobicContact CG-CB 4.45Å; F231-C242 HydrophobicContact CB-CB 4.48Å; C242-L249 WeakPolarHBondContact O-CA 3.32Å; C242-R250 PolarHBondContact N-O 2.78Å; C242-R250 PolarHBondContact O-N 3.5Å; C242-F252 HydrophobicContact CB-CE2 4.5Å
243	V	98.8	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.3	172.7	-73.9	0	0	0	0	112.1	N229 E230 L249 L270 V273 A284	N229-V243 PolarHBondContact N-O 2.91Å; E230-V243 HydrophobicContact CB-CG2 4Å; E230-V243 WeakPolarHBondContact O-CG2 3.34Å; E230-V243 PolarHBondContact O-N 2.81Å; V243-L249 HydrophobicContact CG1-CB 4.2Å; V243-L249 HydrophobicContact CG1-CD1 3.91Å; V243-L270 HydrophobicContact CB-CB 3.67Å; V243-L270 HydrophobicContact CG1-CB 3.77Å; V243-L270 HydrophobicContact CG1-CD1 3.99Å; V243-V273 HydrophobicContact CG1-CB 3.82Å; V243-V273 HydrophobicContact CG1-CG1 4.35Å; V243-V273 HydrophobicContact CG1-CG2 4.19Å; V243-V273 HydrophobicContact CG2-CB 3.95Å; V243-V273 HydrophobicContact CG2-CG1 3.88Å; V243-A284 HydrophobicContact CG1-CB 4.23Å
244	S	98.3	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	162.9	-172	45.5	0	0	0	0	114.4	A227 D246 G247 F248 R250 L270	A227-S244 CarbonylContact O-C 3.49Å; A227-S244 VanDerWaalsContact O-CA 3.28Å; A227-S244 WeakPolarHBondContact O-CA 3.39Å; A227-S244 WeakPolarHBondContact O-CB 3.45Å; S244-D246 WeakPolarHBondContact CB-OD1 3.29Å; S244-D246 PolarHBondContact O-N 3.11Å; S244-D246 PolarHBondContact OG-OD1 2.76Å; S244-G247 PolarHBondContact O-N 2.77Å; S244-F248 PolarHBondContact N-O 2.85Å; S244-F248 PolarHBondContact OG-O 3.42Å; S244-R250 PolarHBondContact OG-NH1 3.16Å; S244-L270 PolarHBondContact O-N 2.85Å; S244-L270 VanDerWaalsContact O-N 3.15Å
245	Q	98.2	Very high	98	Very high	72 Å²	72	30.2 Å²	30.2	34%	0.336	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.4	-175.6	-162.8	62.5	41.8	0	0	113.9	A227 N229 G247 E287	A227-Q245 HydrophobicContact CB-CB 4.27Å; A227-Q245 PolarHBondContact O-N 2.94Å; N229-Q245 PolarHBondContact ND2-OE1 2.79Å; Q245-G247 PolarHBondContact O-N 3.42Å; Q245-E287 VanDerWaalsContact NE2-CD 3.28Å; Q245-E287 PolarHBondContact NE2-OE1 3.13Å; Q245-E287 PolarHBondContact NE2-OE2 3.24Å
246	D	96.6	Very high	97.9	Very high	37 Å²	37	28.8 Å²	28.8	20%	0.198	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3	167.4	60.2	7.3	0	0	0	113.8	G224 D225 S244 F248 R250 K264	G224-D246 WeakPolarHBondContact CA-OD2 3.45Å; D225-D246 PolarHBondContact N-OD2 2.89Å; D225-D246 VanDerWaalsContact N-OD2 3.1Å; D225-D246 WeakPolarHBondContact O-CB 3.43Å; D225-D246 PolarHBondContact O-N 3.15Å; S244-D246 WeakPolarHBondContact CB-OD1 3.29Å; S244-D246 PolarHBondContact O-N 3.11Å; S244-D246 PolarHBondContact OG-OD1 2.76Å; D246-F248 HydrophobicContact CB-CD2 4.17Å; D246-F248 PolarHBondContact OD1-N 2.85Å; D246-F248 VanDerWaalsContact OD1-N 3.14Å; D246-R250 IonicContact OD1-NH1 2.64Å; D246-R250 PolarHBondContact OD1-NH1 3.48Å; D246-R250 IonicContact OD2-CZ 3.32Å; D246-R250 VanDerWaalsContact OD2-CZ 3.27Å; D246-R250 IonicContact OD2-NH1 2.79Å; D246-R250 PolarHBondContact OD2-NH1 2.98Å; D246-R250 IonicContact OD2-NH2 3.97Å; D246-R250 PolarHBondContact OD2-NH2 2.81Å; D246-K264 VanDerWaalsContact O-CE 3.29Å; D246-K264 WeakPolarHBondContact O-CE 3.4Å
247	G	97.1	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	84.3	7	177.8	0	0	0	0	0	114.2	S244 Q245 S265 G268	S244-G247 PolarHBondContact O-N 2.77Å; Q245-G247 PolarHBondContact O-N 3.42Å; G247-S265 WeakPolarHBondContact CA-OG 3.1Å; G247-S265 PolarHBondContact O-N 3.31Å; G247-S265 PolarHBondContact O-OG 2.92Å; G247-G268 WeakPolarHBondContact CA-O 3.21Å
248	F	98.3	Very high	97.9	Very high	18 Å²	18	29.9 Å²	29.9	8%	0.079	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	137.1	178.1	-75.5	-92.8	0	0	0	112.2	S244 D246 R250 M263 K264 T530	S244-F248 PolarHBondContact N-O 2.85Å; S244-F248 PolarHBondContact OG-O 3.42Å; D246-F248 HydrophobicContact CB-CD2 4.17Å; D246-F248 PolarHBondContact OD1-N 2.85Å; D246-F248 VanDerWaalsContact OD1-N 3.14Å; F248-R250 HydrophobicContact CB-CG 4.15Å; F248-M263 CarbonylContact C-O 3.54Å; F248-M263 VanDerWaalsContact CA-O 3.31Å; F248-M263 WeakPolarHBondContact CA-O 3.4Å; F248-K264 HydrophobicContact CD1-CB 4.15Å; F248-K264 HydrophobicContact CD1-CD 4.46Å; F248-K264 HydrophobicContact CD2-CD 3.88Å; F248-K264 HydrophobicContact CE1-CB 3.96Å; F248-K264 HydrophobicContact CE1-CD 4.36Å; F248-K264 HydrophobicContact CE2-CD 3.78Å; F248-K264 HydrophobicContact CG-CD 4.24Å; F248-K264 HydrophobicContact CZ-CB 4.32Å; F248-K264 HydrophobicContact CZ-CD 4.02Å; F248-K264 HydrophobicContact CZ-CG 4.42Å; F248-T530 HydrophobicContact CZ-CG2 4.37Å
249	L	98.7	Very high	97.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.5	152.4	166.4	65.9	0	0	0	106.6	A241 C242 V243 V251 T262 M263 L270 V273 I282 W294	A241-L249 HydrophobicContact CB-CD1 4.14Å; C242-L249 WeakPolarHBondContact O-CA 3.32Å; V243-L249 HydrophobicContact CG1-CB 4.2Å; V243-L249 HydrophobicContact CG1-CD1 3.91Å; L249-V251 HydrophobicContact CD1-CG2 4.23Å; L249-V251 HydrophobicContact CG-CG2 4.26Å; L249-T262 VanDerWaalsContact O-CA 3.28Å; L249-T262 WeakPolarHBondContact O-CA 3.38Å; L249-M263 HydrophobicContact CB-CB 4.22Å; L249-M263 HydrophobicContact CB-CE 3.99Å; L249-M263 HydrophobicContact CD2-CB 4.35Å; L249-M263 HydrophobicContact CD2-CE 4.18Å; L249-M263 HydrophobicContact CD2-SD 4.34Å; L249-M263 PolarHBondContact N-O 3.41Å; L249-M263 PolarHBondContact O-N 2.96Å; L249-L270 HydrophobicContact CB-CD1 3.89Å; L249-V273 HydrophobicContact CD1-CG2 3.99Å; L249-I282 HydrophobicContact CD1-CG2 4.33Å; L249-I282 HydrophobicContact CD2-CB 4.48Å; L249-I282 HydrophobicContact CD2-CG2 3.95Å; L249-W294 HydrophobicContact CD2-CB 4.39Å; L249-W294 HydrophobicContact CD2-CD2 4.36Å; L249-W294 HydrophobicContact CD2-CG 4.35Å
250	R	98.7	Very high	97.8	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.8	174.5	-58.7	-172.5	174.5	87.9	-3.8	108.5	G224 C242 S244 D246 F248 F252 L259 T262	G224-R250 VanDerWaalsContact CA-NH1 3.31Å; C242-R250 PolarHBondContact N-O 2.78Å; C242-R250 PolarHBondContact O-N 3.5Å; S244-R250 PolarHBondContact OG-NH1 3.16Å; D246-R250 IonicContact OD1-NH1 2.64Å; D246-R250 PolarHBondContact OD1-NH1 3.48Å; D246-R250 IonicContact OD2-CZ 3.32Å; D246-R250 VanDerWaalsContact OD2-CZ 3.27Å; D246-R250 IonicContact OD2-NH1 2.79Å; D246-R250 PolarHBondContact OD2-NH1 2.98Å; D246-R250 IonicContact OD2-NH2 3.97Å; D246-R250 PolarHBondContact OD2-NH2 2.81Å; F248-R250 HydrophobicContact CB-CG 4.15Å; R250-F252 HydrophobicContact CB-CE2 3.68Å; R250-F252 HydrophobicContact CB-CZ 3.88Å; R250-L259 HydrophobicContact CB-CD1 3.98Å; R250-T262 HydrophobicContact CB-CG2 4.44Å; R250-T262 HydrophobicContact CG-CG2 4.03Å
251	V	98.8	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.6	179.8	-175	0	0	0	0	108.2	F239 L240 A241 L249 H260 G261 W275 I282 W294 F296	F239-V251 HydrophobicContact CB-CG1 4.48Å; L240-V251 WeakPolarHBondContact O-CA 3.42Å; A241-V251 HydrophobicContact CB-CG2 4.39Å; L249-V251 HydrophobicContact CD1-CG2 4.23Å; L249-V251 HydrophobicContact CG-CG2 4.26Å; V251-H260 HydrophobicContact CG1-CB 4.47Å; V251-H260 WeakPolarHBondContact O-CB 3.35Å; V251-H260 PolarHBondContact O-N 2.97Å; V251-G261 PolarHBondContact N-O 3.11Å; V251-G261 PolarHBondContact O-N 3.16Å; V251-W275 HydrophobicContact CG1-CH2 3.78Å; V251-W275 HydrophobicContact CG1-CZ2 4Å; V251-I282 HydrophobicContact CG1-CD1 4.37Å; V251-I282 HydrophobicContact CG2-CD1 3.43Å; V251-I282 VanDerWaalsContact CG2-CD1 3.43Å; V251-W294 HydrophobicContact CB-CH2 4.31Å; V251-W294 HydrophobicContact CB-CZ3 4.41Å; V251-W294 HydrophobicContact CG2-CE3 4.4Å; V251-W294 HydrophobicContact CG2-CH2 3.88Å; V251-W294 HydrophobicContact CG2-CZ3 3.68Å; V251-F296 HydrophobicContact CG1-CD2 4.23Å; V251-F296 HydrophobicContact CG1-CE2 4.02Å
252	F	98.7	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.8	-179.6	-59.4	-84	0	0	0	111	Y204 W221 V223 F239 L240 C242 R250 E258 L259	Y204-F252 AromaticContact CD1-CE1 3.76Å; Y204-F252 HydrophobicContact CD1-CE1 3.76Å; Y204-F252 HydrophobicContact CD1-CZ 4.46Å; Y204-F252 AromaticContact CD2-CE1 3.8Å; Y204-F252 HydrophobicContact CD2-CE1 3.8Å; Y204-F252 HydrophobicContact CE1-CE1 4.13Å; Y204-F252 HydrophobicContact CE2-CE1 4.16Å; Y204-F252 AromaticContact CG-CE1 3.58Å; Y204-F252 HydrophobicContact CG-CE1 3.58Å; Y204-F252 HydrophobicContact CG-CZ 4.09Å; W221-F252 HydrophobicContact CH2-CB 3.95Å; W221-F252 HydrophobicContact CH2-CG 4.25Å; W221-F252 HydrophobicContact CZ2-CB 3.74Å; W221-F252 AromaticContact CZ2-CD1 3.59Å; W221-F252 HydrophobicContact CZ2-CD1 3.59Å; W221-F252 HydrophobicContact CZ2-CD2 4.11Å; W221-F252 HydrophobicContact CZ2-CE1 4.19Å; W221-F252 AromaticContact CZ2-CG 3.54Å; W221-F252 HydrophobicContact CZ2-CG 3.54Å; W221-F252 AromaticContact NE1-CE1 3.97Å; V223-F252 HydrophobicContact CG1-CE2 4.04Å; V223-F252 HydrophobicContact CG1-CZ 4.1Å; V223-F252 HydrophobicContact CG2-CE2 4.28Å; V223-F252 HydrophobicContact CG2-CZ 4.34Å; F239-F252 CarbonylContact C-O 3.56Å; F239-F252 WeakPolarHBondContact CA-O 3.06Å; F239-F252 WeakPolarHBondContact CD1-O 3.46Å; L240-F252 PolarHBondContact N-O 2.89Å; L240-F252 PolarHBondContact O-N 2.95Å; C242-F252 HydrophobicContact CB-CE2 4.5Å; R250-F252 HydrophobicContact CB-CE2 3.68Å; R250-F252 HydrophobicContact CB-CZ 3.88Å; F252-E258 CarbonylContact C-O 3.47Å; F252-E258 WeakPolarHBondContact CA-O 3.38Å; F252-E258 WeakPolarHBondContact CB-O 3.46Å; F252-L259 HydrophobicContact CD1-CB 4.08Å; F252-L259 HydrophobicContact CD1-CD1 3.9Å; F252-L259 HydrophobicContact CE1-CB 4.03Å; F252-L259 HydrophobicContact CE1-CD1 3.54Å; F252-L259 HydrophobicContact CE1-CG 4.37Å; F252-L259 HydrophobicContact CZ-CD1 3.9Å
253	N	98.3	Very high	97.6	Very high	40 Å²	40	31 Å²	31	21%	0.214	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.6	154.9	-176.7	-73	0	0	0	107.6	F239 D255 A256 V257 E258	F239-N253 HydrophobicContact CD1-CB 4.05Å; F239-N253 HydrophobicContact CE1-CB 3.76Å; N253-D255 PolarHBondContact OD1-N 3.1Å; N253-A256 HydrophobicContact CB-CB 4.22Å; N253-A256 VanDerWaalsContact OD1-CB 3.23Å; N253-A256 WeakPolarHBondContact OD1-CB 3.28Å; N253-A256 PolarHBondContact OD1-N 3.26Å; N253-V257 WeakPolarHBondContact O-CA 3.48Å; N253-V257 PolarHBondContact O-N 3.15Å; N253-V257 VanDerWaalsContact O-N 3.13Å; N253-E258 PolarHBondContact N-O 3.15Å; N253-E258 PolarHBondContact O-N 3.3Å
254	F	97.9	Very high	97.5	Very high	27 Å²	27	32 Å²	32	12%	0.118	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-45.1	-170	-173.8	-110.8	0	0	0	112.2	V163 L171 L181 W221 F233 K238 L240 V257	V163-F254 HydrophobicContact CG1-CE1 3.86Å; V163-F254 HydrophobicContact CG1-CZ 4.37Å; V163-F254 HydrophobicContact CG2-CE1 4.35Å; V163-F254 HydrophobicContact CG2-CZ 4.07Å; L171-F254 HydrophobicContact CD2-CE2 4.25Å; L181-F254 HydrophobicContact CD1-CZ 4.36Å; W221-F254 HydrophobicContact CZ3-CD2 4.1Å; W221-F254 HydrophobicContact CZ3-CE2 4.36Å; F233-F254 HydrophobicContact CE1-CD1 4.09Å; F233-F254 AromaticContact CE1-CD2 3.72Å; F233-F254 HydrophobicContact CE1-CD2 3.72Å; F233-F254 HydrophobicContact CE1-CE1 4.11Å; F233-F254 AromaticContact CE1-CE2 3.74Å; F233-F254 HydrophobicContact CE1-CE2 3.74Å; F233-F254 AromaticContact CE1-CG 3.89Å; F233-F254 HydrophobicContact CE1-CG 3.89Å; F233-F254 AromaticContact CE1-CZ 3.93Å; F233-F254 HydrophobicContact CE1-CZ 3.93Å; F233-F254 HydrophobicContact CZ-CD2 4.34Å; F233-F254 AromaticContact CZ-CE2 3.92Å; F233-F254 HydrophobicContact CZ-CE2 3.92Å; F233-F254 HydrophobicContact CZ-CZ 4Å; K238-F254 WeakPolarHBondContact O-CB 3.41Å; K238-F254 PolarHBondContact O-N 2.68Å; L240-F254 HydrophobicContact CB-CD2 4.31Å; L240-F254 HydrophobicContact CD2-CD2 4.03Å; L240-F254 HydrophobicContact CD2-CE2 4.32Å; F254-V257 WeakPolarHBondContact O-CG2 3.42Å
255	D	95.3	Very high	97.4	Very high	126 Å²	126	32.1 Å²	32.1	67%	0.674	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-41.4	-175.8	-59.6	-45.1	0	0	0	112.6	N253 V257	N253-D255 PolarHBondContact OD1-N 3.1Å; D255-V257 PolarHBondContact O-N 2.85Å
256	A	96.4	Very high	97.2	Very high	44 Å²	44	33.3 Å²	33.3	36%	0.364	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.6	174.8	0	0	0	0	0	112.5	K199 N253 E258	K199-A256 PolarHBondContact NZ-O 2.86Å; N253-A256 HydrophobicContact CB-CB 4.22Å; N253-A256 VanDerWaalsContact OD1-CB 3.23Å; N253-A256 WeakPolarHBondContact OD1-CB 3.28Å; N253-A256 PolarHBondContact OD1-N 3.26Å; A256-E258 HydrophobicContact CB-CB 4.43Å; A256-E258 HydrophobicContact CB-CG 4.37Å
257	V	96.4	Very high	97.1	Very high	18 Å²	18	38.8 Å²	38.8	11%	0.109	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	48.6	-176.9	-166.3	0	0	0	0	110.8	K199 Y204 V206 W221 N253 F254 D255	K199-V257 HydrophobicContact CD-CB 4.27Å; K199-V257 VanDerWaalsContact CD-O 3.3Å; K199-V257 WeakPolarHBondContact CD-O 3.12Å; K199-V257 WeakPolarHBondContact CE-O 3.05Å; Y204-V257 PolarHBondContact OH-O 2.87Å; V206-V257 HydrophobicContact CB-CG1 3.82Å; V206-V257 HydrophobicContact CG1-CG1 3.98Å; V206-V257 HydrophobicContact CG2-CG1 3.37Å; W221-V257 HydrophobicContact CH2-CB 4.38Å; W221-V257 HydrophobicContact CH2-CG1 3.84Å; W221-V257 HydrophobicContact CZ2-CG1 3.9Å; W221-V257 HydrophobicContact CZ3-CG1 4.2Å; N253-V257 WeakPolarHBondContact O-CA 3.48Å; N253-V257 PolarHBondContact O-N 3.15Å; N253-V257 VanDerWaalsContact O-N 3.13Å; F254-V257 WeakPolarHBondContact O-CG2 3.42Å; D255-V257 PolarHBondContact O-N 2.85Å
258	E	95.3	Very high	97	Very high	101 Å²	101	39.7 Å²	39.7	47%	0.472	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.8	-175	-76.2	-177.5	-175.4	0	0	112.6	K199 F252 N253 A256 H260	K199-E258 VanDerWaalsContact CE-CG 3.4Å; K199-E258 WeakPolarHBondContact CE-OE1 3.36Å; K199-E258 IonicContact NZ-OE1 2.69Å; K199-E258 PolarHBondContact NZ-OE1 3.21Å; F252-E258 CarbonylContact C-O 3.47Å; F252-E258 WeakPolarHBondContact CA-O 3.38Å; F252-E258 WeakPolarHBondContact CB-O 3.46Å; N253-E258 PolarHBondContact N-O 3.15Å; N253-E258 PolarHBondContact O-N 3.3Å; A256-E258 HydrophobicContact CB-CB 4.43Å; A256-E258 HydrophobicContact CB-CG 4.37Å; E258-H260 PolarHBondContact O-N 3.5Å
259	L	98	Very high	97	Very high	51 Å²	51	38.9 Å²	38.9	27%	0.267	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112	177.8	-177.2	68.7	0	0	0	109.6	Y204 R250 F252 T262	Y204-L259 HydrophobicContact CD1-CB 4.3Å; Y204-L259 HydrophobicContact CD1-CD2 4.49Å; Y204-L259 HydrophobicContact CE1-CB 3.7Å; Y204-L259 HydrophobicContact CE1-CD2 4.42Å; R250-L259 HydrophobicContact CB-CD1 3.98Å; F252-L259 HydrophobicContact CD1-CB 4.08Å; F252-L259 HydrophobicContact CD1-CD1 3.9Å; F252-L259 HydrophobicContact CE1-CB 4.03Å; F252-L259 HydrophobicContact CE1-CD1 3.54Å; F252-L259 HydrophobicContact CE1-CG 4.37Å; F252-L259 HydrophobicContact CZ-CD1 3.9Å; L259-T262 HydrophobicContact CD1-CG2 3.78Å; L259-T262 HydrophobicContact CD2-CG2 3.81Å; L259-T262 HydrophobicContact CG-CG2 4.12Å
260	H	97.9	Very high	97	Very high	74 Å²	74	38.9 Å²	38.9	34%	0.343	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-41.6	177.7	175.3	83.8	0	0	0	112.1	F239 V251 E258 F296 C299	F239-H260 HydrophobicContact CD1-CB 4.39Å; F239-H260 HydrophobicContact CE1-CB 4.24Å; V251-H260 HydrophobicContact CG1-CB 4.47Å; V251-H260 WeakPolarHBondContact O-CB 3.35Å; V251-H260 PolarHBondContact O-N 2.97Å; E258-H260 PolarHBondContact O-N 3.5Å; H260-F296 AromaticContact CD2-CD2 3.79Å; H260-F296 AromaticContact CD2-CE2 3.35Å; H260-F296 WeakPolarHBondContact CD2-CE2 3.39Å; H260-F296 AromaticContact CD2-CZ 3.96Å; H260-F296 AromaticContact CE1-CE2 3.93Å; H260-F296 AromaticContact CE1-CZ 3.73Å; H260-F296 AromaticContact CG-CE2 3.95Å; H260-F296 AromaticContact NE2-CD2 3.69Å; H260-F296 AromaticContact NE2-CE2 3.35Å; H260-F296 VanDerWaalsContact NE2-CE2 3.35Å; H260-F296 WeakPolarHBondContact NE2-CE2 3.28Å; H260-F296 AromaticContact NE2-CZ 3.57Å; H260-F296 PolarHBondContact NE2-O 3.17Å; H260-C299 PolarHBondContact NE2-SG 2.96Å; H260-C299 VanDerWaalsContact NE2-SG 3.45Å
261	G	97	Very high	97	Very high	9 Å²	9	40.2 Å²	40.2	9%	0.093	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	162.2	-177.1	0	0	0	0	0	113.8	V251	V251-G261 PolarHBondContact N-O 3.11Å; V251-G261 PolarHBondContact O-N 3.16Å
262	T	97.8	Very high	97	Very high	29 Å²	29	40.2 Å²	40.2	18%	0.178	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.1	175.5	64.1	0	0	0	0	112.1	L249 R250 L259 L540	L249-T262 VanDerWaalsContact O-CA 3.28Å; L249-T262 WeakPolarHBondContact O-CA 3.38Å; R250-T262 HydrophobicContact CB-CG2 4.44Å; R250-T262 HydrophobicContact CG-CG2 4.03Å; L259-T262 HydrophobicContact CD1-CG2 3.78Å; L259-T262 HydrophobicContact CD2-CG2 3.81Å; L259-T262 HydrophobicContact CG-CG2 4.12Å; T262-L540 WeakPolarHBondContact OG1-CD2 3.31Å
263	M	97.5	Very high	97	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	145.9	173.6	178.7	-157.4	81.8	0	0	108.3	F248 L249 L270 A284 T292 W294 V301	F248-M263 CarbonylContact C-O 3.54Å; F248-M263 VanDerWaalsContact CA-O 3.31Å; F248-M263 WeakPolarHBondContact CA-O 3.4Å; L249-M263 HydrophobicContact CB-CB 4.22Å; L249-M263 HydrophobicContact CB-CE 3.99Å; L249-M263 HydrophobicContact CD2-CB 4.35Å; L249-M263 HydrophobicContact CD2-CE 4.18Å; L249-M263 HydrophobicContact CD2-SD 4.34Å; L249-M263 PolarHBondContact N-O 3.41Å; L249-M263 PolarHBondContact O-N 2.96Å; M263-L270 HydrophobicContact CE-CD1 3.74Å; M263-A284 HydrophobicContact CE-CB 4.35Å; M263-T292 HydrophobicContact CE-CG2 3.92Å; M263-T292 HydrophobicContact SD-CG2 3.41Å; M263-T292 WeakPolarHBondContact SD-CG2 3.43Å; M263-W294 HydrophobicContact CB-CG 4.44Å; M263-W294 HydrophobicContact SD-CB 4.04Å; M263-W294 HydrophobicContact SD-CG 4.19Å; M263-V301 HydrophobicContact CG-CG2 3.6Å; M263-V301 HydrophobicContact SD-CG2 3.73Å
264	K	96.8	Very high	97	Very high	22 Å²	22	39.4 Å²	39.4	10%	0.096	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131	176.6	173.6	65.7	-164.9	70.3	0	110	D246 F248 L540 C541	D246-K264 VanDerWaalsContact O-CE 3.29Å; D246-K264 WeakPolarHBondContact O-CE 3.4Å; F248-K264 HydrophobicContact CD1-CB 4.15Å; F248-K264 HydrophobicContact CD1-CD 4.46Å; F248-K264 HydrophobicContact CD2-CD 3.88Å; F248-K264 HydrophobicContact CE1-CB 3.96Å; F248-K264 HydrophobicContact CE1-CD 4.36Å; F248-K264 HydrophobicContact CE2-CD 3.78Å; F248-K264 HydrophobicContact CG-CD 4.24Å; F248-K264 HydrophobicContact CZ-CB 4.32Å; F248-K264 HydrophobicContact CZ-CD 4.02Å; F248-K264 HydrophobicContact CZ-CG 4.42Å; K264-L540 PolarHBondContact N-O 2.81Å; K264-C541 HydrophobicContact CB-CB 4.14Å; K264-C541 HydrophobicContact CG-CB 4.45Å; K264-C541 WeakPolarHBondContact O-CB 3.46Å; K264-C541 PolarHBondContact O-SG 3.12Å
265	S	96.3	Very high	97.1	Very high	2 Å²	2	39 Å²	39	1%	0.014	20%	0.203	C	C	.	.			trans	-57.2	157.1	172.7	60.2	0	0	0	0	112.1	G247 F267 G268 C541	G247-S265 WeakPolarHBondContact CA-OG 3.1Å; G247-S265 PolarHBondContact O-N 3.31Å; G247-S265 PolarHBondContact O-OG 2.92Å; S265-F267 VanDerWaalsContact C-N 3.33Å; S265-F267 WeakPolarHBondContact CB-O 3.38Å; S265-F267 PolarHBondContact OG-O 3.15Å; S265-G268 PolarHBondContact OG-O 3.42Å; S265-C541 PolarHBondContact O-SG 3.34Å
266	Y	93.1	Very high	97.2	Very high	96 Å²	96	33 Å²	33	38%	0.376	17%	0.17	S	C	.	.	S	Bend	trans	-66.5	-40.5	-179.9	-163.1	-87.6	0	0	0	110.4	D288 L536 M544	Y266-D288 WeakPolarHBondContact CA-OD2 3.27Å; Y266-D288 WeakPolarHBondContact CB-OD2 3.29Å; Y266-D288 PolarHBondContact N-OD2 3.25Å; Y266-L536 HydrophobicContact CD2-CD1 3.93Å; Y266-L536 HydrophobicContact CE2-CD1 3.45Å; Y266-L536 VanDerWaalsContact CE2-CD1 3.45Å; Y266-M544 HydrophobicContact CD2-CE 4.02Å; Y266-M544 HydrophobicContact CE2-CE 4.21Å; Y266-M544 HydrophobicContact CG-CE 4.22Å
267	F	93.9	Very high	97.2	Very high	153 Å²	153	32.8 Å²	32.8	67%	0.671	17%	0.165	S	C	*	.	S	Bend	trans	-145	168.9	168.7	-178.4	-102.6	0	0	0	111.3	S265 D288	S265-F267 VanDerWaalsContact C-N 3.33Å; S265-F267 WeakPolarHBondContact CB-O 3.38Å; S265-F267 PolarHBondContact OG-O 3.15Å; F267-D288 HydrophobicContact CB-CB 4Å; F267-D288 PolarHBondContact N-OD2 2.89Å
268	G	96.1	Very high	97.1	Very high	19 Å²	19	34.2 Å²	34.2	20%	0.196	17%	0.172	C	C	.	.	S	Bend	trans	60.1	-166.8	173.4	0	0	0	0	0	116	G247 S265	G247-G268 WeakPolarHBondContact CA-O 3.21Å; S265-G268 PolarHBondContact OG-O 3.42Å
269	G	97.6	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.			trans	-80.4	163	172	0	0	0	0	0	113.6	G286 E287	G269-G286 WeakPolarHBondContact O-CA 3.39Å; G269-E287 PolarHBondContact N-OE2 3.36Å; G269-E287 PolarHBondContact O-N 3.34Å
270	L	98.7	Very high	97.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.6	164.2	-71	176.8	0	0	0	109.4	N229 V243 S244 L249 M263 A284	N229-L270 PolarHBondContact ND2-O 2.95Å; V243-L270 HydrophobicContact CB-CB 3.67Å; V243-L270 HydrophobicContact CG1-CB 3.77Å; V243-L270 HydrophobicContact CG1-CD1 3.99Å; S244-L270 PolarHBondContact O-N 2.85Å; S244-L270 VanDerWaalsContact O-N 3.15Å; L249-L270 HydrophobicContact CB-CD1 3.89Å; M263-L270 HydrophobicContact CE-CD1 3.74Å; L270-A284 HydrophobicContact CD1-CB 4.15Å; L270-A284 HydrophobicContact CD2-CB 4.23Å
271	L	98.8	Very high	97.2	Very high	32 Å²	32	28 Å²	28	17%	0.168	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-36	-164.7	-61.8	179.8	0	0	0	113.5	G285 E287 W311	L271-G285 PolarHBondContact N-O 2.8Å; L271-E287 HydrophobicContact CD1-CG 3.91Å; L271-E287 HydrophobicContact CD2-CG 3.88Å; L271-E287 HydrophobicContact CG-CG 3.96Å; L271-W311 HydrophobicContact CD1-CB 3.67Å; L271-W311 HydrophobicContact CD1-CD2 4.3Å; L271-W311 HydrophobicContact CD1-CE3 3.94Å; L271-W311 HydrophobicContact CD1-CG 4.24Å
272	C	98.8	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.8	-176.7	54.7	0	0	0	0	111.8	E230 A284 G285 V312 V314 V315	E230-C272 WeakPolarHBondContact OE2-CA 3.09Å; E230-C272 WeakPolarHBondContact OE2-CB 3.32Å; C272-A284 WeakPolarHBondContact O-CA 3.41Å; C272-G285 PolarHBondContact N-O 2.82Å; C272-G285 PolarHBondContact O-N 2.83Å; C272-V312 PolarHBondContact SG-O 2.97Å; C272-V312 VanDerWaalsContact SG-O 3.38Å; C272-V314 VanDerWaalsContact SG-CA 3.59Å; C272-V315 HydrophobicContact CB-CG2 4.3Å
273	V	98.9	Very high	97.3	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.042	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.3	-175.4	66.3	0	0	0	0	112.9	E230 A232 A241 V243 L249 I282 V283	E230-V273 HydrophobicContact CB-CG1 4.49Å; E230-V273 PolarHBondContact OE2-N 2.88Å; A232-V273 HydrophobicContact CB-CG1 4.16Å; A241-V273 HydrophobicContact CB-CG2 4.03Å; V243-V273 HydrophobicContact CG1-CB 3.82Å; V243-V273 HydrophobicContact CG1-CG1 4.35Å; V243-V273 HydrophobicContact CG1-CG2 4.19Å; V243-V273 HydrophobicContact CG2-CB 3.95Å; V243-V273 HydrophobicContact CG2-CG1 3.88Å; L249-V273 HydrophobicContact CD1-CG2 3.99Å; V273-I282 HydrophobicContact CG2-CG2 3.51Å; V273-V283 WeakPolarHBondContact CA-O 3.45Å
274	C	98.9	Very high	97.4	Very high	17 Å²	17	26.2 Å²	26.2	12%	0.115	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	156.2	171.7	67.2	0	0	0	0	112.7	I282 V283 V315 A316	C274-I282 WeakPolarHBondContact O-CA 3.38Å; C274-V283 PolarHBondContact N-O 2.87Å; C274-V283 PolarHBondContact O-N 2.94Å; C274-V315 HydrophobicContact CB-CG2 4.32Å; C274-V315 WeakPolarHBondContact CB-O 3.41Å; C274-V315 PolarHBondContact SG-O 3.07Å; C274-V315 VanDerWaalsContact SG-O 3.42Å; C274-A316 VanDerWaalsContact SG-CA 3.57Å
275	W	98.8	Very high	97.5	Very high	19 Å²	19	25.1 Å²	25.1	7%	0.072	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	153.3	175.1	-66.8	85.4	0	0	0	111.2	A232 F233 P235 F239 A241 V251 G279 Y281 I282 F296 F317	A232-W275 PolarHBondContact O-NE1 2.68Å; F233-W275 PolarHBondContact O-NE1 3.15Å; P235-W275 HydrophobicContact CG-CB 4.44Å; F239-W275 HydrophobicContact CB-CH2 3.7Å; F239-W275 HydrophobicContact CB-CZ2 3.83Å; A241-W275 HydrophobicContact CB-CZ2 3.9Å; V251-W275 HydrophobicContact CG1-CH2 3.78Å; V251-W275 HydrophobicContact CG1-CZ2 4Å; W275-G279 WeakPolarHBondContact CZ3-O 3.25Å; W275-Y281 CarbonylContact C-O 3.56Å; W275-Y281 WeakPolarHBondContact CA-O 3.31Å; W275-I282 HydrophobicContact CD2-CD1 4.11Å; W275-I282 HydrophobicContact CD2-CG1 3.8Å; W275-I282 HydrophobicContact CE3-CD1 3.98Å; W275-I282 HydrophobicContact CE3-CG1 3.59Å; W275-I282 HydrophobicContact CG-CG1 4.47Å; W275-I282 HydrophobicContact CH2-CD1 3.75Å; W275-I282 HydrophobicContact CH2-CG1 4.3Å; W275-I282 HydrophobicContact CZ2-CD1 3.85Å; W275-I282 HydrophobicContact CZ2-CG1 4.46Å; W275-I282 HydrophobicContact CZ3-CD1 3.81Å; W275-I282 HydrophobicContact CZ3-CG1 3.86Å; W275-F296 AromaticContact CH2-CD2 3.61Å; W275-F296 HydrophobicContact CH2-CD2 3.61Å; W275-F296 AromaticContact CH2-CE2 3.79Å; W275-F296 HydrophobicContact CH2-CE2 3.79Å; W275-F296 HydrophobicContact CH2-CG 4.44Å; W275-F296 HydrophobicContact CZ3-CB 4.27Å; W275-F296 AromaticContact CZ3-CD2 3.55Å; W275-F296 HydrophobicContact CZ3-CD2 3.55Å; W275-F296 HydrophobicContact CZ3-CE2 4.07Å; W275-F296 AromaticContact CZ3-CG 3.93Å; W275-F296 HydrophobicContact CZ3-CG 3.93Å; W275-F317 WeakPolarHBondContact O-CD2 3.39Å
276	S	98.3	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.			trans	-64.9	156.8	164.5	62	0	0	0	0	111	P235 D278 G279 K280 Y281	P235-S276 VanDerWaalsContact CG-O 3.27Å; P235-S276 WeakPolarHBondContact CG-O 3.46Å; S276-D278 VanDerWaalsContact CB-OD1 3.31Å; S276-D278 WeakPolarHBondContact CB-OD1 3.13Å; S276-D278 PolarHBondContact O-N 2.67Å; S276-D278 PolarHBondContact OG-OD1 2.86Å; S276-G279 PolarHBondContact O-N 3.24Å; S276-G279 PolarHBondContact OG-N 3.1Å; S276-K280 PolarHBondContact OG-N 3.03Å; S276-K280 VanDerWaalsContact OG-N 3.14Å; S276-Y281 PolarHBondContact N-O 3.17Å; S276-Y281 PolarHBondContact OG-N 3.14Å; S276-Y281 PolarHBondContact OG-O 2.83Å
277	P	95.7	Very high	97.8	Very high	38 Å²	38	22 Å²	22	25%	0.247	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.9	-177.3	-26.9	36.5	0	0	0	114.2	P235 F317 H319 T322	P235-P277 WeakPolarHBondContact CB-O 3.42Å; P235-P277 WeakPolarHBondContact CG-O 3.36Å; P277-F317 HydrophobicContact CG-CB 4.46Å; P277-H319 HydrophobicContact CG-CB 4.36Å; P277-T322 HydrophobicContact CG-CG2 4.29Å
278	D	95.1	Very high	98	Very high	48 Å²	48	16 Å²	16	26%	0.257	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	6	-178.7	69.2	-17.8	0	0	0	114	S276 K280 Y373	S276-D278 VanDerWaalsContact CB-OD1 3.31Å; S276-D278 WeakPolarHBondContact CB-OD1 3.13Å; S276-D278 PolarHBondContact O-N 2.67Å; S276-D278 PolarHBondContact OG-OD1 2.86Å; D278-K280 HydrophobicContact CB-CG 4.49Å; D278-K280 PolarHBondContact O-N 2.86Å; D278-K280 VanDerWaalsContact O-N 3.13Å; D278-K280 PolarHBondContact OD1-N 2.84Å; D278-K280 WeakPolarHBondContact OD2-CD 3.43Å; D278-K280 WeakPolarHBondContact OD2-CE 3.43Å; D278-K280 VanDerWaalsContact OD2-CG 3.25Å; D278-K280 WeakPolarHBondContact OD2-CG 3.47Å; D278-K280 IonicContact OD2-NZ 2.71Å; D278-K280 PolarHBondContact OD2-NZ 3Å; D278-Y373 PolarHBondContact OD2-OH 3.03Å
279	G	96.9	Very high	98.1	Very high	13 Å²	13	17 Å²	17	13%	0.134	9%	0.091	C	C	.	.	S	Bend	trans	70	-0.3	179.1	0	0	0	0	0	116.5	W275 S276 Y281	W275-G279 WeakPolarHBondContact CZ3-O 3.25Å; S276-G279 PolarHBondContact O-N 3.24Å; S276-G279 PolarHBondContact OG-N 3.1Å; G279-Y281 VanDerWaalsContact C-N 3.34Å; G279-Y281 PolarHBondContact O-N 3.13Å
280	K	97.3	Very high	98.1	Very high	65 Å²	65	17.4 Å²	17.4	28%	0.283	9%	0.093	S	C	.	.	S	Bend	trans	-72.7	-23.1	-176	-62.5	-172.6	-165.5	106	0	113.9	S276 D278 F296	S276-K280 PolarHBondContact OG-N 3.03Å; S276-K280 VanDerWaalsContact OG-N 3.14Å; D278-K280 HydrophobicContact CB-CG 4.49Å; D278-K280 PolarHBondContact O-N 2.86Å; D278-K280 VanDerWaalsContact O-N 3.13Å; D278-K280 PolarHBondContact OD1-N 2.84Å; D278-K280 WeakPolarHBondContact OD2-CD 3.43Å; D278-K280 WeakPolarHBondContact OD2-CE 3.43Å; D278-K280 VanDerWaalsContact OD2-CG 3.25Å; D278-K280 WeakPolarHBondContact OD2-CG 3.47Å; D278-K280 IonicContact OD2-NZ 2.71Å; D278-K280 PolarHBondContact OD2-NZ 3Å; K280-F296 WeakPolarHBondContact O-CB 3.31Å; K280-F296 PolarHBondContact O-N 2.92Å
281	Y	98.3	Very high	98.1	Very high	17 Å²	17	17.3 Å²	17.3	7%	0.067	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.3	-176.6	-55.8	-76.1	0	0	0	112.5	W275 S276 G279 W294 I302 Y373 L394	W275-Y281 CarbonylContact C-O 3.56Å; W275-Y281 WeakPolarHBondContact CA-O 3.31Å; S276-Y281 PolarHBondContact N-O 3.17Å; S276-Y281 PolarHBondContact OG-N 3.14Å; S276-Y281 PolarHBondContact OG-O 2.83Å; G279-Y281 VanDerWaalsContact C-N 3.34Å; G279-Y281 PolarHBondContact O-N 3.13Å; Y281-W294 WeakPolarHBondContact CA-O 3.32Å; Y281-I302 HydrophobicContact CD1-CD1 3.59Å; Y281-I302 HydrophobicContact CE1-CD1 3.56Å; Y281-Y373 HydrophobicContact CD2-CD2 4.48Å; Y281-Y373 HydrophobicContact CD2-CE1 4.09Å; Y281-Y373 AromaticContact CD2-CE2 3.96Å; Y281-Y373 HydrophobicContact CD2-CE2 3.96Å; Y281-Y373 AromaticContact CD2-CZ 3.77Å; Y281-Y373 HydrophobicContact CE2-CD2 4.42Å; Y281-Y373 HydrophobicContact CE2-CE1 4.32Å; Y281-Y373 AromaticContact CE2-CE2 3.59Å; Y281-Y373 HydrophobicContact CE2-CE2 3.59Å; Y281-Y373 AromaticContact CE2-CZ 3.55Å; Y281-L394 HydrophobicContact CE1-CD2 3.99Å; Y281-L394 HydrophobicContact CE2-CD2 4.27Å
282	I	98.9	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.6	172.1	-57.7	178.4	0	0	0	108.4	A241 L249 V251 V273 C274 W275 W294	A241-I282 HydrophobicContact CB-CD1 4.02Å; L249-I282 HydrophobicContact CD1-CG2 4.33Å; L249-I282 HydrophobicContact CD2-CB 4.48Å; L249-I282 HydrophobicContact CD2-CG2 3.95Å; V251-I282 HydrophobicContact CG1-CD1 4.37Å; V251-I282 HydrophobicContact CG2-CD1 3.43Å; V251-I282 VanDerWaalsContact CG2-CD1 3.43Å; V273-I282 HydrophobicContact CG2-CG2 3.51Å; C274-I282 WeakPolarHBondContact O-CA 3.38Å; W275-I282 HydrophobicContact CD2-CD1 4.11Å; W275-I282 HydrophobicContact CD2-CG1 3.8Å; W275-I282 HydrophobicContact CE3-CD1 3.98Å; W275-I282 HydrophobicContact CE3-CG1 3.59Å; W275-I282 HydrophobicContact CG-CG1 4.47Å; W275-I282 HydrophobicContact CH2-CD1 3.75Å; W275-I282 HydrophobicContact CH2-CG1 4.3Å; W275-I282 HydrophobicContact CZ2-CD1 3.85Å; W275-I282 HydrophobicContact CZ2-CG1 4.46Å; W275-I282 HydrophobicContact CZ3-CD1 3.81Å; W275-I282 HydrophobicContact CZ3-CG1 3.86Å; I282-W294 HydrophobicContact CB-CE3 4.27Å; I282-W294 HydrophobicContact CD1-CE3 3.76Å; I282-W294 HydrophobicContact CD1-CZ3 3.77Å; I282-W294 HydrophobicContact CG1-CE3 4.15Å; I282-W294 PolarHBondContact N-O 2.78Å; I282-W294 PolarHBondContact O-N 2.82Å
283	V	98.9	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.8	167.6	175.8	0	0	0	0	108.7	V273 C274 V291 T292 V293 V315 F317 F375	V273-V283 WeakPolarHBondContact CA-O 3.45Å; C274-V283 PolarHBondContact N-O 2.87Å; C274-V283 PolarHBondContact O-N 2.94Å; V283-V291 HydrophobicContact CG1-CB 4.26Å; V283-T292 WeakPolarHBondContact CA-O 3.44Å; V283-V293 HydrophobicContact CG2-CG1 4.23Å; V283-V293 HydrophobicContact CG2-CG2 4.21Å; V283-V315 HydrophobicContact CG1-CB 3.95Å; V283-V315 HydrophobicContact CG1-CG1 3.92Å; V283-V315 HydrophobicContact CG1-CG2 4.27Å; V283-F317 HydrophobicContact CB-CE2 4.07Å; V283-F317 HydrophobicContact CG2-CE2 3.5Å; V283-F317 VanDerWaalsContact CG2-CE2 3.5Å; V283-F317 HydrophobicContact CG2-CZ 3.57Å; V283-F375 HydrophobicContact CB-CD2 4.49Å; V283-F375 HydrophobicContact CG1-CD2 3.89Å; V283-F375 HydrophobicContact CG1-CE2 3.7Å; V283-F375 HydrophobicContact CG1-CZ 4.33Å; V283-F375 HydrophobicContact CG2-CD1 4.15Å; V283-F375 HydrophobicContact CG2-CD2 4.12Å; V283-F375 HydrophobicContact CG2-CE1 4.21Å; V283-F375 HydrophobicContact CG2-CE2 4.18Å; V283-F375 HydrophobicContact CG2-CG 4.1Å; V283-F375 HydrophobicContact CG2-CZ 4.23Å
284	A	98.8	Very high	98.1	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.008	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.4	173	0	0	0	0	0	111	V243 M263 L270 C272 V291 T292	V243-A284 HydrophobicContact CG1-CB 4.23Å; M263-A284 HydrophobicContact CE-CB 4.35Å; L270-A284 HydrophobicContact CD1-CB 4.15Å; L270-A284 HydrophobicContact CD2-CB 4.23Å; C272-A284 WeakPolarHBondContact O-CA 3.41Å; A284-V291 CarbonylContact O-C 3.51Å; A284-V291 WeakPolarHBondContact O-CA 3.12Å; A284-T292 PolarHBondContact N-O 3.01Å; A284-T292 PolarHBondContact O-N 3.42Å
285	G	98.8	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.2	175	0	0	0	0	0	112.2	L271 C272	L271-G285 PolarHBondContact N-O 2.8Å; C272-G285 PolarHBondContact N-O 2.82Å; C272-G285 PolarHBondContact O-N 2.83Å
286	G	98.1	Very high	98	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	175.6	-169.3	0	0	0	0	0	117.3	G269 L290 V312	G269-G286 WeakPolarHBondContact O-CA 3.39Å; G286-L290 PolarHBondContact N-O 2.98Å; G286-L290 VanDerWaalsContact N-O 3.16Å; G286-V312 PolarHBondContact O-N 3.43Å; G286-V312 VanDerWaalsContact O-N 3.09Å
287	E	98.6	Very high	97.9	Very high	33 Å²	33	21.6 Å²	21.6	15%	0.154	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.4	166.2	-64.2	-176.6	156.5	0	0	113.2	Q245 G269 L271 D289 W311	Q245-E287 VanDerWaalsContact NE2-CD 3.28Å; Q245-E287 PolarHBondContact NE2-OE1 3.13Å; Q245-E287 PolarHBondContact NE2-OE2 3.24Å; G269-E287 PolarHBondContact N-OE2 3.36Å; G269-E287 PolarHBondContact O-N 3.34Å; L271-E287 HydrophobicContact CD1-CG 3.91Å; L271-E287 HydrophobicContact CD2-CG 3.88Å; L271-E287 HydrophobicContact CG-CG 3.96Å; E287-D289 VanDerWaalsContact C-N 3.33Å; E287-W311 HydrophobicContact CB-CD2 4.09Å; E287-W311 HydrophobicContact CB-CG 4.24Å; E287-W311 HydrophobicContact CB-CZ2 4.32Å; E287-W311 HydrophobicContact CG-CD2 3.77Å; E287-W311 HydrophobicContact CG-CE3 3.88Å; E287-W311 HydrophobicContact CG-CG 4.27Å; E287-W311 HydrophobicContact CG-CH2 4.23Å; E287-W311 HydrophobicContact CG-CZ2 4.1Å; E287-W311 HydrophobicContact CG-CZ3 4.11Å; E287-W311 VanDerWaalsContact O-CD1 3.29Å; E287-W311 PolarHBondContact O-NE1 2.94Å; E287-W311 WeakPolarHBondContact OE1-CH2 3.47Å; E287-W311 WeakPolarHBondContact OE1-CZ3 3.27Å
288	D	97.3	Very high	97.8	Very high	27 Å²	27	23.7 Å²	23.7	14%	0.144	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	12.8	173.3	54.4	3.7	0	0	0	113.2	Y266 F267 L290	Y266-D288 WeakPolarHBondContact CA-OD2 3.27Å; Y266-D288 WeakPolarHBondContact CB-OD2 3.29Å; Y266-D288 PolarHBondContact N-OD2 3.25Å; F267-D288 HydrophobicContact CB-CB 4Å; F267-D288 PolarHBondContact N-OD2 2.89Å; D288-L290 WeakPolarHBondContact O-CG 3.31Å; D288-L290 PolarHBondContact O-N 2.88Å
289	D	98.4	Very high	97.9	Very high	39 Å²	39	23.5 Å²	23.5	21%	0.209	13%	0.125	C	C	.	.	S	Bend	trans	61.8	11.6	-177.7	-60.2	-4.1	0	0	0	114.7	E287 S310 W311	E287-D289 VanDerWaalsContact C-N 3.33Å; D289-S310 VanDerWaalsContact CG-C 3.44Å; D289-S310 VanDerWaalsContact CG-CA 3.41Å; D289-S310 WeakPolarHBondContact OD1-CA 3.43Å; D289-S310 VanDerWaalsContact OD2-CA 3.31Å; D289-S310 WeakPolarHBondContact OD2-CA 3.45Å; D289-S310 PolarHBondContact OD2-N 2.73Å; D289-S310 VanDerWaalsContact OD2-N 3.09Å; D289-W311 PolarHBondContact OD1-N 3.08Å
290	L	98.4	Very high	97.8	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.042	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	152.7	-178.1	-58.9	175.4	0	0	0	112.6	G286 D288 G305 H306 V312 M544	G286-L290 PolarHBondContact N-O 2.98Å; G286-L290 VanDerWaalsContact N-O 3.16Å; D288-L290 WeakPolarHBondContact O-CG 3.31Å; D288-L290 PolarHBondContact O-N 2.88Å; L290-G305 WeakPolarHBondContact CA-O 3.48Å; L290-G305 WeakPolarHBondContact CD2-O 3.08Å; L290-H306 HydrophobicContact CD2-CB 3.83Å; L290-V312 WeakPolarHBondContact O-CG2 3.49Å; L290-M544 HydrophobicContact CD1-CE 3.64Å
291	V	98.7	Very high	97.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.3	151	-65.8	0	0	0	0	108.5	V283 A284 R304 G305 V312 V315 F375 W387	V283-V291 HydrophobicContact CG1-CB 4.26Å; A284-V291 CarbonylContact O-C 3.51Å; A284-V291 WeakPolarHBondContact O-CA 3.12Å; V291-R304 CarbonylContact O-C 3.57Å; V291-R304 VanDerWaalsContact O-CA 3.28Å; V291-R304 WeakPolarHBondContact O-CA 3.21Å; V291-G305 PolarHBondContact N-O 3.3Å; V291-G305 VanDerWaalsContact N-O 3.12Å; V291-G305 PolarHBondContact O-N 2.68Å; V291-V312 HydrophobicContact CG1-CG1 4.18Å; V291-V312 HydrophobicContact CG1-CG2 4.41Å; V291-V315 HydrophobicContact CG1-CG1 3.9Å; V291-F375 HydrophobicContact CB-CE2 4.1Å; V291-F375 HydrophobicContact CG1-CE2 4.32Å; V291-F375 HydrophobicContact CG2-CE2 3.88Å; V291-F375 HydrophobicContact CG2-CZ 4Å; V291-W387 HydrophobicContact CG1-CZ2 4.42Å; V291-W387 HydrophobicContact CG2-CD2 4.17Å; V291-W387 HydrophobicContact CG2-CE3 4.46Å; V291-W387 HydrophobicContact CG2-CH2 4.08Å; V291-W387 HydrophobicContact CG2-CZ2 3.73Å; V291-W387 HydrophobicContact CG2-CZ3 4.42Å
292	T	98.7	Very high	97.7	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.9	174.7	-60.2	0	0	0	0	109.6	M263 V283 A284 V301 R304	M263-T292 HydrophobicContact CE-CG2 3.92Å; M263-T292 HydrophobicContact SD-CG2 3.41Å; M263-T292 WeakPolarHBondContact SD-CG2 3.43Å; V283-T292 WeakPolarHBondContact CA-O 3.44Å; A284-T292 PolarHBondContact N-O 3.01Å; A284-T292 PolarHBondContact O-N 3.42Å; T292-V301 HydrophobicContact CG2-CG1 3.74Å; T292-V301 HydrophobicContact CG2-CG2 4.01Å; T292-R304 HydrophobicContact CG2-CG 4.04Å
293	V	98.6	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.1	-178.6	-165.8	0	0	0	0	109.3	V283 V301 I302 A303 F375 L389 L550	V283-V293 HydrophobicContact CG2-CG1 4.23Å; V283-V293 HydrophobicContact CG2-CG2 4.21Å; V293-V301 WeakPolarHBondContact O-CA 3.16Å; V293-I302 HydrophobicContact CB-CG1 4.02Å; V293-I302 HydrophobicContact CG1-CD1 3.85Å; V293-I302 HydrophobicContact CG1-CG1 3.83Å; V293-I302 WeakPolarHBondContact O-CG1 3.33Å; V293-I302 PolarHBondContact O-N 2.58Å; V293-A303 HydrophobicContact CB-CB 4.27Å; V293-A303 HydrophobicContact CG2-CB 4.22Å; V293-A303 PolarHBondContact N-O 3.38Å; V293-A303 PolarHBondContact O-N 2.98Å; V293-F375 HydrophobicContact CG2-CE1 4.16Å; V293-F375 HydrophobicContact CG2-CZ 4.05Å; V293-L389 HydrophobicContact CG1-CD1 3.74Å; V293-L389 HydrophobicContact CG1-CD2 4.45Å; V293-L389 HydrophobicContact CG2-CD2 4.26Å; V293-L550 HydrophobicContact CG2-CD1 4Å
294	W	98.6	Very high	97.6	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.7	-172.6	-173.2	85.8	0	0	0	110.6	L249 V251 M263 Y281 I282 F296 C299 R300	L249-W294 HydrophobicContact CD2-CB 4.39Å; L249-W294 HydrophobicContact CD2-CD2 4.36Å; L249-W294 HydrophobicContact CD2-CG 4.35Å; V251-W294 HydrophobicContact CB-CH2 4.31Å; V251-W294 HydrophobicContact CB-CZ3 4.41Å; V251-W294 HydrophobicContact CG2-CE3 4.4Å; V251-W294 HydrophobicContact CG2-CH2 3.88Å; V251-W294 HydrophobicContact CG2-CZ3 3.68Å; M263-W294 HydrophobicContact CB-CG 4.44Å; M263-W294 HydrophobicContact SD-CB 4.04Å; M263-W294 HydrophobicContact SD-CG 4.19Å; Y281-W294 WeakPolarHBondContact CA-O 3.32Å; I282-W294 HydrophobicContact CB-CE3 4.27Å; I282-W294 HydrophobicContact CD1-CE3 3.76Å; I282-W294 HydrophobicContact CD1-CZ3 3.77Å; I282-W294 HydrophobicContact CG1-CE3 4.15Å; I282-W294 PolarHBondContact N-O 2.78Å; I282-W294 PolarHBondContact O-N 2.82Å; W294-F296 HydrophobicContact CZ3-CB 4.24Å; W294-F296 HydrophobicContact CZ3-CD2 4.15Å; W294-C299 HydrophobicContact CH2-CB 4.32Å; W294-C299 VanDerWaalsContact CZ2-CA 3.4Å; W294-C299 HydrophobicContact CZ2-CB 3.79Å; W294-C299 VanDerWaalsContact NE1-C 3.27Å; W294-C299 PolarHBondContact NE1-O 2.9Å; W294-C299 VanDerWaalsContact NE1-O 3.14Å; W294-R300 CarbonylContact C-O 3.57Å; W294-R300 WeakPolarHBondContact CA-O 3.14Å; W294-R300 VanDerWaalsContact CD1-O 3.32Å
295	S	97.6	Very high	97.5	Very high	5 Å²	5	25.2 Å²	25.2	4%	0.035	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.4	178.1	171	0	0	0	0	109.8	D298 C299 R300	S295-D298 WeakPolarHBondContact CB-OD2 3.27Å; S295-D298 WeakPolarHBondContact OG-CB 3.4Å; S295-D298 VanDerWaalsContact OG-CG 3.26Å; S295-D298 PolarHBondContact OG-N 2.66Å; S295-D298 PolarHBondContact OG-OD2 2.87Å; S295-C299 VanDerWaalsContact O-CA 3.31Å; S295-C299 WeakPolarHBondContact O-CA 3.36Å; S295-C299 PolarHBondContact O-N 3.29Å; S295-R300 PolarHBondContact N-O 3.14Å
296	F	98	Very high	97.4	Very high	25 Å²	25	30.4 Å²	30.4	11%	0.11	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-33	-178.2	172.3	-99.5	0	0	0	112.8	F239 V251 H260 W275 K280 W294	F239-F296 HydrophobicContact CB-CE2 4.48Å; F239-F296 AromaticContact CD1-CE2 3.8Å; F239-F296 HydrophobicContact CD1-CE2 3.8Å; F239-F296 AromaticContact CD1-CZ 3.82Å; F239-F296 HydrophobicContact CD1-CZ 3.82Å; F239-F296 HydrophobicContact CD2-CE2 4.34Å; F239-F296 AromaticContact CD2-CZ 3.87Å; F239-F296 HydrophobicContact CD2-CZ 3.87Å; F239-F296 HydrophobicContact CE1-CE2 4.09Å; F239-F296 AromaticContact CE1-CZ 3.71Å; F239-F296 HydrophobicContact CE1-CZ 3.71Å; F239-F296 AromaticContact CE2-CZ 3.77Å; F239-F296 HydrophobicContact CE2-CZ 3.77Å; F239-F296 AromaticContact CG-CE2 3.95Å; F239-F296 HydrophobicContact CG-CE2 3.95Å; F239-F296 AromaticContact CG-CZ 3.91Å; F239-F296 HydrophobicContact CG-CZ 3.91Å; F239-F296 HydrophobicContact CZ-CE2 4.49Å; F239-F296 AromaticContact CZ-CZ 3.69Å; F239-F296 HydrophobicContact CZ-CZ 3.69Å; V251-F296 HydrophobicContact CG1-CD2 4.23Å; V251-F296 HydrophobicContact CG1-CE2 4.02Å; H260-F296 AromaticContact CD2-CD2 3.79Å; H260-F296 AromaticContact CD2-CE2 3.35Å; H260-F296 WeakPolarHBondContact CD2-CE2 3.39Å; H260-F296 AromaticContact CD2-CZ 3.96Å; H260-F296 AromaticContact CE1-CE2 3.93Å; H260-F296 AromaticContact CE1-CZ 3.73Å; H260-F296 AromaticContact CG-CE2 3.95Å; H260-F296 AromaticContact NE2-CD2 3.69Å; H260-F296 AromaticContact NE2-CE2 3.35Å; H260-F296 VanDerWaalsContact NE2-CE2 3.35Å; H260-F296 WeakPolarHBondContact NE2-CE2 3.28Å; H260-F296 AromaticContact NE2-CZ 3.57Å; H260-F296 PolarHBondContact NE2-O 3.17Å; W275-F296 AromaticContact CH2-CD2 3.61Å; W275-F296 HydrophobicContact CH2-CD2 3.61Å; W275-F296 AromaticContact CH2-CE2 3.79Å; W275-F296 HydrophobicContact CH2-CE2 3.79Å; W275-F296 HydrophobicContact CH2-CG 4.44Å; W275-F296 HydrophobicContact CZ3-CB 4.27Å; W275-F296 AromaticContact CZ3-CD2 3.55Å; W275-F296 HydrophobicContact CZ3-CD2 3.55Å; W275-F296 HydrophobicContact CZ3-CE2 4.07Å; W275-F296 AromaticContact CZ3-CG 3.93Å; W275-F296 HydrophobicContact CZ3-CG 3.93Å; K280-F296 WeakPolarHBondContact O-CB 3.31Å; K280-F296 PolarHBondContact O-N 2.92Å; W294-F296 HydrophobicContact CZ3-CB 4.24Å; W294-F296 HydrophobicContact CZ3-CD2 4.15Å
297	L	96.3	Very high	97.2	Very high	131 Å²	131	31.2 Å²	31.2	69%	0.686	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-37.7	-179.8	-62.8	176.7	0	0	0	112.5
298	D	94.6	Very high	97.2	Very high	82 Å²	82	29.8 Å²	29.8	44%	0.439	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-10.5	179	-57.7	-45.5	0	0	0	113.4	S295 R300	S295-D298 WeakPolarHBondContact CB-OD2 3.27Å; S295-D298 WeakPolarHBondContact OG-CB 3.4Å; S295-D298 VanDerWaalsContact OG-CG 3.26Å; S295-D298 PolarHBondContact OG-N 2.66Å; S295-D298 PolarHBondContact OG-OD2 2.87Å; D298-R300 HydrophobicContact CB-CB 4.45Å; D298-R300 HydrophobicContact CB-CG 3.66Å; D298-R300 VanDerWaalsContact CB-NE 3.29Å; D298-R300 VanDerWaalsContact CG-NE 3.25Å; D298-R300 VanDerWaalsContact CG-NH2 3.3Å; D298-R300 PolarHBondContact O-N 2.91Å; D298-R300 IonicContact OD1-NH2 3.44Å; D298-R300 IonicContact OD2-CZ 3.58Å; D298-R300 VanDerWaalsContact OD2-CZ 3.28Å; D298-R300 IonicContact OD2-NE 2.73Å; D298-R300 PolarHBondContact OD2-NE 3.25Å; D298-R300 IonicContact OD2-NH2 3.57Å; D298-R300 PolarHBondContact OD2-NH2 3.13Å
299	C	96.8	Very high	97.2	Very high	44 Å²	44	35 Å²	35	30%	0.297	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	31	-170.5	-73.8	0	0	0	0	115.6	H260 W294 S295	H260-C299 PolarHBondContact NE2-SG 2.96Å; H260-C299 VanDerWaalsContact NE2-SG 3.45Å; W294-C299 HydrophobicContact CH2-CB 4.32Å; W294-C299 VanDerWaalsContact CZ2-CA 3.4Å; W294-C299 HydrophobicContact CZ2-CB 3.79Å; W294-C299 VanDerWaalsContact NE1-C 3.27Å; W294-C299 PolarHBondContact NE1-O 2.9Å; W294-C299 VanDerWaalsContact NE1-O 3.14Å; S295-C299 VanDerWaalsContact O-CA 3.31Å; S295-C299 WeakPolarHBondContact O-CA 3.36Å; S295-C299 PolarHBondContact O-N 3.29Å
300	R	95.1	Very high	97.2	Very high	109 Å²	109	35 Å²	35	41%	0.411	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.1	-174.4	75.3	-168.7	162.5	163.1	-10.4	113.8	W294 S295 D298 I302	W294-R300 CarbonylContact C-O 3.57Å; W294-R300 WeakPolarHBondContact CA-O 3.14Å; W294-R300 VanDerWaalsContact CD1-O 3.32Å; S295-R300 PolarHBondContact N-O 3.14Å; D298-R300 HydrophobicContact CB-CB 4.45Å; D298-R300 HydrophobicContact CB-CG 3.66Å; D298-R300 VanDerWaalsContact CB-NE 3.29Å; D298-R300 VanDerWaalsContact CG-NE 3.25Å; D298-R300 VanDerWaalsContact CG-NH2 3.3Å; D298-R300 PolarHBondContact O-N 2.91Å; D298-R300 IonicContact OD1-NH2 3.44Å; D298-R300 IonicContact OD2-CZ 3.58Å; D298-R300 VanDerWaalsContact OD2-CZ 3.28Å; D298-R300 IonicContact OD2-NE 2.73Å; D298-R300 PolarHBondContact OD2-NE 3.25Å; D298-R300 IonicContact OD2-NH2 3.57Å; D298-R300 PolarHBondContact OD2-NH2 3.13Å; R300-I302 HydrophobicContact CG-CG2 4.09Å
301	V	97.1	Very high	97.2	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	132.3	164	-178.4	0	0	0	0	109.2	M263 T292 V293 R304 P542 V547	M263-V301 HydrophobicContact CG-CG2 3.6Å; M263-V301 HydrophobicContact SD-CG2 3.73Å; T292-V301 HydrophobicContact CG2-CG1 3.74Å; T292-V301 HydrophobicContact CG2-CG2 4.01Å; V293-V301 WeakPolarHBondContact O-CA 3.16Å; V301-R304 HydrophobicContact CG1-CG 4.33Å; V301-P542 HydrophobicContact CB-CG 4.2Å; V301-P542 HydrophobicContact CG2-CG 4.48Å; V301-V547 HydrophobicContact CB-CG1 4.48Å; V301-V547 HydrophobicContact CG1-CG1 4.14Å; V301-V547 HydrophobicContact CG1-CG2 4.38Å
302	I	95.9	Very high	97.2	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.077	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-24	176	58.5	162.5	0	0	0	113.3	Y281 V293 R300 L394 P548	Y281-I302 HydrophobicContact CD1-CD1 3.59Å; Y281-I302 HydrophobicContact CE1-CD1 3.56Å; V293-I302 HydrophobicContact CB-CG1 4.02Å; V293-I302 HydrophobicContact CG1-CD1 3.85Å; V293-I302 HydrophobicContact CG1-CG1 3.83Å; V293-I302 WeakPolarHBondContact O-CG1 3.33Å; V293-I302 PolarHBondContact O-N 2.58Å; R300-I302 HydrophobicContact CG-CG2 4.09Å; I302-L394 HydrophobicContact CD1-CD2 3.67Å; I302-P548 WeakPolarHBondContact O-CD 3.46Å
303	A	97.1	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	162.8	175.2	0	0	0	0	0	111.6	V293 I393 P548 L550	V293-A303 HydrophobicContact CB-CB 4.27Å; V293-A303 HydrophobicContact CG2-CB 4.22Å; V293-A303 PolarHBondContact N-O 3.38Å; V293-A303 PolarHBondContact O-N 2.98Å; A303-I393 HydrophobicContact CB-CG2 3.96Å; A303-P548 WeakPolarHBondContact CA-O 3.18Å; A303-P548 HydrophobicContact CB-CB 4.33Å; A303-L550 HydrophobicContact CB-CD1 4.04Å; A303-L550 HydrophobicContact CB-CD2 3.89Å; A303-L550 HydrophobicContact CB-CG 3.91Å
304	R	98.1	Very high	97.2	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.9	165.4	-64.8	-170.4	-178.6	107	-10.5	110	V291 T292 V301 P542 R543 M544 V547 P548 L549 L550	V291-R304 CarbonylContact O-C 3.57Å; V291-R304 VanDerWaalsContact O-CA 3.28Å; V291-R304 WeakPolarHBondContact O-CA 3.21Å; T292-R304 HydrophobicContact CG2-CG 4.04Å; V301-R304 HydrophobicContact CG1-CG 4.33Å; R304-P542 VanDerWaalsContact CZ-O 3.27Å; R304-P542 PolarHBondContact NH1-O 3.11Å; R304-P542 PolarHBondContact NH2-O 3.27Å; R304-R543 PolarHBondContact NH1-O 3.26Å; R304-M544 HydrophobicContact CB-SD 4.34Å; R304-V547 HydrophobicContact CG-CG2 4.26Å; R304-P548 PolarHBondContact N-O 2.67Å; R304-L549 HydrophobicContact CB-CD1 4.43Å; R304-L549 CarbonylContact O-C 3.52Å; R304-L549 VanDerWaalsContact O-CA 3.27Å; R304-L549 WeakPolarHBondContact O-CA 3.38Å; R304-L550 PolarHBondContact O-N 2.81Å
305	G	97.6	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.7	173.8	0	0	0	0	0	111.7	L290 V291 L550	L290-G305 WeakPolarHBondContact CA-O 3.48Å; L290-G305 WeakPolarHBondContact CD2-O 3.08Å; V291-G305 PolarHBondContact N-O 3.3Å; V291-G305 VanDerWaalsContact N-O 3.12Å; V291-G305 PolarHBondContact O-N 2.68Å; G305-L550 WeakPolarHBondContact CA-O 3.32Å
306	H	95.3	Very high	97.3	Very high	108 Å²	108	41.9 Å²	41.9	50%	0.5	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.3	174.6	-176	74.8	0	0	0	109.9	L290 L549 L550 P552	L290-H306 HydrophobicContact CD2-CB 3.83Å; H306-L549 HydrophobicContact CB-CD1 4.12Å; H306-L549 HydrophobicContact CB-CD2 4.49Å; H306-L550 PolarHBondContact N-O 2.81Å; H306-P552 WeakPolarHBondContact O-CD 3.45Å
307	G	95	Very high	97.3	Very high	17 Å²	17	41 Å²	41	18%	0.175	21%	0.207	C	C	.	.			trans	162.6	-21	-175.4	0	0	0	0	0	115.1	C555	G307-C555 PolarHBondContact O-SG 3.13Å
308	H	98.3	Very high	97.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.019	18%	0.175	C	C	.	.			trans	-72.3	157.8	161.9	-74.6	-71.2	0	0	0	111.1	V312 S377 G379 D381 Q383 C385	H308-V312 HydrophobicContact CB-CG2 4.4Å; H308-S377 PolarHBondContact CD2-OG 3.09Å; H308-S377 PolarHBondContact NE2-OG 2.89Å; H308-G379 PolarHBondContact CE1-N 2.87Å; H308-D381 WeakPolarHBondContact CA-OD2 3.37Å; H308-D381 WeakPolarHBondContact CB-OD2 3.48Å; H308-D381 IonicContact CE1-OD1 2.67Å; H308-D381 IonicContact CG-OD2 3.69Å; H308-D381 IonicContact ND1-OD1 3.32Å; H308-D381 PolarHBondContact ND1-OD1 3.02Å; H308-D381 IonicContact ND1-OD2 3.46Å; H308-D381 PolarHBondContact ND1-OD2 2.79Å; H308-Q383 PolarHBondContact CE1-O 3.14Å; H308-C385 VanDerWaalsContact CE1-SG 3.52Å; H308-C385 PolarHBondContact NE2-SG 2.86Å
309	K	97.5	Very high	97.3	Very high	135 Å²	135	36.1 Å²	36.1	59%	0.587	18%	0.178	S	C	*	.	S	Bend	trans	-119.7	10.8	-179.4	-59.6	166.7	-174.3	151.3	0	112.6	D381	K309-D381 HydrophobicContact CB-CB 4.09Å; K309-D381 PolarHBondContact N-OD2 3.38Å
310	S	98.3	Very high	97	Very high	39 Å²	39	39.8 Å²	39.8	27%	0.273	19%	0.186	S	C	.	.	S	Bend	trans	-169.7	171.5	174.7	-161.2	0	0	0	0	108.1	D289	D289-S310 VanDerWaalsContact CG-C 3.44Å; D289-S310 VanDerWaalsContact CG-CA 3.41Å; D289-S310 WeakPolarHBondContact OD1-CA 3.43Å; D289-S310 VanDerWaalsContact OD2-CA 3.31Å; D289-S310 WeakPolarHBondContact OD2-CA 3.45Å; D289-S310 PolarHBondContact OD2-N 2.73Å; D289-S310 VanDerWaalsContact OD2-N 3.09Å
311	W	98.6	Very high	96.7	Very high	102 Å²	102	35.6 Å²	35.6	39%	0.386	17%	0.173	S	C	.	.			trans	-52.4	140.7	-166.4	-57.7	-8.6	0	0	0	113.9	L271 E287 D289 S313 G379 Q380	L271-W311 HydrophobicContact CD1-CB 3.67Å; L271-W311 HydrophobicContact CD1-CD2 4.3Å; L271-W311 HydrophobicContact CD1-CE3 3.94Å; L271-W311 HydrophobicContact CD1-CG 4.24Å; E287-W311 HydrophobicContact CB-CD2 4.09Å; E287-W311 HydrophobicContact CB-CG 4.24Å; E287-W311 HydrophobicContact CB-CZ2 4.32Å; E287-W311 HydrophobicContact CG-CD2 3.77Å; E287-W311 HydrophobicContact CG-CE3 3.88Å; E287-W311 HydrophobicContact CG-CG 4.27Å; E287-W311 HydrophobicContact CG-CH2 4.23Å; E287-W311 HydrophobicContact CG-CZ2 4.1Å; E287-W311 HydrophobicContact CG-CZ3 4.11Å; E287-W311 VanDerWaalsContact O-CD1 3.29Å; E287-W311 PolarHBondContact O-NE1 2.94Å; E287-W311 WeakPolarHBondContact OE1-CH2 3.47Å; E287-W311 WeakPolarHBondContact OE1-CZ3 3.27Å; D289-W311 PolarHBondContact OD1-N 3.08Å; W311-S313 PolarHBondContact O-N 3.48Å; W311-G379 CarbonylContact O-C 3.45Å; W311-G379 WeakPolarHBondContact O-CA 3.4Å; W311-Q380 HydrophobicContact CB-CG 4.46Å; W311-Q380 PolarHBondContact O-N 2.87Å
312	V	98.9	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.3	-179.1	-172.3	0	0	0	0	110	C272 G286 L290 V291 H308 V315	C272-V312 PolarHBondContact SG-O 2.97Å; C272-V312 VanDerWaalsContact SG-O 3.38Å; G286-V312 PolarHBondContact O-N 3.43Å; G286-V312 VanDerWaalsContact O-N 3.09Å; L290-V312 WeakPolarHBondContact O-CG2 3.49Å; V291-V312 HydrophobicContact CG1-CG1 4.18Å; V291-V312 HydrophobicContact CG1-CG2 4.41Å; H308-V312 HydrophobicContact CB-CG2 4.4Å; V312-V315 HydrophobicContact CG1-CG1 3.85Å
313	S	98.4	Very high	95.6	Very high	27 Å²	27	37.8 Å²	37.8	19%	0.189	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-35.5	-172.5	-60.2	0	0	0	0	114.1	W311 V378 Q380 L563	W311-S313 PolarHBondContact O-N 3.48Å; S313-V378 WeakPolarHBondContact CA-O 3.48Å; S313-V378 WeakPolarHBondContact CB-O 3.24Å; S313-V378 PolarHBondContact N-O 2.87Å; S313-Q380 WeakPolarHBondContact OG-CG 3.42Å; S313-Q380 PolarHBondContact OG-N 2.92Å; S313-L563 WeakPolarHBondContact CB-O 3.41Å; S313-L563 PolarHBondContact OG-O 2.98Å
314	V	98.9	Very high	94.5	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	142.9	177.9	-174.4	0	0	0	0	109.6	C272 S377 V378 T564 L566	C272-V314 VanDerWaalsContact SG-CA 3.59Å; V314-S377 VanDerWaalsContact O-CA 3.27Å; V314-S377 WeakPolarHBondContact O-CA 3.39Å; V314-V378 HydrophobicContact CB-CG2 3.78Å; V314-V378 HydrophobicContact CG2-CG2 4.22Å; V314-V378 PolarHBondContact N-O 3.29Å; V314-V378 PolarHBondContact O-N 3.03Å; V314-T564 VanDerWaalsContact CG2-O 3.31Å; V314-T564 WeakPolarHBondContact CG2-O 3.28Å; V314-L566 HydrophobicContact CB-CB 4.47Å; V314-L566 HydrophobicContact CG1-CB 4.22Å
315	V	98.9	Very high	92.8	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.7	169.3	-69.4	0	0	0	0	109.3	C272 C274 V283 V291 V312 G376	C272-V315 HydrophobicContact CB-CG2 4.3Å; C274-V315 HydrophobicContact CB-CG2 4.32Å; C274-V315 WeakPolarHBondContact CB-O 3.41Å; C274-V315 PolarHBondContact SG-O 3.07Å; C274-V315 VanDerWaalsContact SG-O 3.42Å; V283-V315 HydrophobicContact CG1-CB 3.95Å; V283-V315 HydrophobicContact CG1-CG1 3.92Å; V283-V315 HydrophobicContact CG1-CG2 4.27Å; V291-V315 HydrophobicContact CG1-CG1 3.9Å; V312-V315 HydrophobicContact CG1-CG1 3.85Å; V315-G376 WeakPolarHBondContact CA-O 3.43Å
316	A	98.8	Very high	90.5	Very high	15 Å²	15	55 Å²	55	12%	0.124	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	138.7	179.6	0	0	0	0	0	112	C274 F375 G376 L566 F568	C274-A316 VanDerWaalsContact SG-CA 3.57Å; A316-F375 CarbonylContact O-C 3.59Å; A316-F375 VanDerWaalsContact O-CA 3.27Å; A316-F375 WeakPolarHBondContact O-CA 3.39Å; A316-F375 WeakPolarHBondContact O-CB 3.42Å; A316-G376 PolarHBondContact N-O 3.2Å; A316-G376 PolarHBondContact O-N 2.87Å; A316-L566 HydrophobicContact CB-CD2 4.32Å; A316-L566 HydrophobicContact CB-CG 4.3Å; A316-F568 HydrophobicContact CB-CD2 4.01Å; A316-F568 HydrophobicContact CB-CE2 4.03Å; A316-F568 WeakPolarHBondContact O-CE2 3.4Å
317	F	98.6	Very high	87.8	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.035	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	139.7	169.8	-82.3	-96.3	0	0	0	111.9	W275 P277 V283 H319 Y373 R374 F375 L389	W275-F317 WeakPolarHBondContact O-CD2 3.39Å; P277-F317 HydrophobicContact CG-CB 4.46Å; V283-F317 HydrophobicContact CB-CE2 4.07Å; V283-F317 HydrophobicContact CG2-CE2 3.5Å; V283-F317 VanDerWaalsContact CG2-CE2 3.5Å; V283-F317 HydrophobicContact CG2-CZ 3.57Å; F317-H319 PolarHBondContact O-N 3.44Å; F317-H319 PolarHBondContact O-ND1 3.37Å; F317-Y373 HydrophobicContact CD1-CD1 4.48Å; F317-Y373 HydrophobicContact CE1-CD1 4.19Å; F317-Y373 HydrophobicContact CE1-CG 4.25Å; F317-R374 WeakPolarHBondContact CD1-O 3.14Å; F317-F375 HydrophobicContact CD1-CB 3.92Å; F317-F375 HydrophobicContact CD2-CB 4.29Å; F317-F375 HydrophobicContact CE1-CB 4.18Å; F317-F375 HydrophobicContact CE1-CD1 4.46Å; F317-F375 HydrophobicContact CG-CB 4Å; F317-F375 HydrophobicContact CZ-CB 4.49Å; F317-L389 HydrophobicContact CE1-CD1 4.44Å
318	D	97.5	Very high	84.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	99.9	173.7	-176	14.9	0	0	0	110.4	Y320 T321 T322 R374 F568 R587	D318-Y320 PolarHBondContact O-N 2.84Å; D318-Y320 PolarHBondContact OD1-N 2.84Å; D318-Y320 VanDerWaalsContact OD1-N 3.15Å; D318-T321 PolarHBondContact O-N 3.02Å; D318-T321 WeakPolarHBondContact OD2-CB 3.4Å; D318-T321 WeakPolarHBondContact OD2-CG2 3.22Å; D318-T321 PolarHBondContact OD2-OG1 2.96Å; D318-T322 WeakPolarHBondContact O-CB 3.22Å; D318-T322 PolarHBondContact O-N 3.35Å; D318-T322 PolarHBondContact O-OG1 3.43Å; D318-R374 HydrophobicContact CB-CB 4.13Å; D318-R374 HydrophobicContact CB-CG 4.08Å; D318-R374 PolarHBondContact N-O 2.85Å; D318-F568 HydrophobicContact CB-CB 4.29Å; D318-F568 HydrophobicContact CB-CD1 3.7Å; D318-F568 HydrophobicContact CB-CD2 3.89Å; D318-F568 HydrophobicContact CB-CE1 3.92Å; D318-F568 HydrophobicContact CB-CE2 4.11Å; D318-F568 HydrophobicContact CB-CG 3.69Å; D318-F568 HydrophobicContact CB-CZ 4.12Å; D318-R587 IonicContact OD1-CZ 3.01Å; D318-R587 IonicContact OD1-NH1 3.01Å; D318-R587 PolarHBondContact OD1-NH1 2.81Å; D318-R587 IonicContact OD1-NH2 3.93Å; D318-R587 PolarHBondContact OD1-NH2 3.39Å; D318-R587 IonicContact OD2-CZ 3.6Å; D318-R587 IonicContact OD2-NH1 2.67Å; D318-R587 PolarHBondContact OD2-NH1 2.96Å; D318-R587 IonicContact OD2-NH2 3.2Å
319	H	91.9	Very high	82	Confident	110 Å²	110	65.7 Å²	65.7	51%	0.509	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	-22.6	-178.7	-63.4	57	0	0	0	112.1	P277 F317	P277-H319 HydrophobicContact CG-CB 4.36Å; F317-H319 PolarHBondContact O-N 3.44Å; F317-H319 PolarHBondContact O-ND1 3.37Å
320	Y	91.8	Very high	79.1	Confident	120 Å²	120	67.8 Å²	67.8	47%	0.471	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-3.4	-172.4	-54.6	-85.3	0	0	0	114.1	D318 L569 E570	D318-Y320 PolarHBondContact O-N 2.84Å; D318-Y320 PolarHBondContact OD1-N 2.84Å; D318-Y320 VanDerWaalsContact OD1-N 3.15Å; Y320-L569 WeakPolarHBondContact CD2-O 3.44Å; Y320-E570 HydrophobicContact CD1-CB 3.93Å; Y320-E570 HydrophobicContact CD1-CG 3.73Å; Y320-E570 HydrophobicContact CE1-CB 3.49Å; Y320-E570 VanDerWaalsContact CE1-CB 3.49Å; Y320-E570 HydrophobicContact CE1-CG 3.63Å; Y320-E570 VanDerWaalsContact CZ-N 3.35Å
321	T	88.5	Confident	76	Confident	22 Å²	22	74.6 Å²	74.6	14%	0.135	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	11.4	172.2	66.1	0	0	0	0	113.7	E26 D318 R374	E26-T321 HydrophobicContact CG-CG2 4.21Å; D318-T321 PolarHBondContact O-N 3.02Å; D318-T321 WeakPolarHBondContact OD2-CB 3.4Å; D318-T321 WeakPolarHBondContact OD2-CG2 3.22Å; D318-T321 PolarHBondContact OD2-OG1 2.96Å; T321-R374 VanDerWaalsContact CB-NH1 3.25Å; T321-R374 PolarHBondContact OG1-NH1 3.33Å
322	T	87.4	Confident	72.9	Confident	26 Å²	26	79.3 Å²	79.3	16%	0.16	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132	169.2	-69.9	0	0	0	0	109.1	P277 D318 V324 T372 Y373 R374	P277-T322 HydrophobicContact CG-CG2 4.29Å; D318-T322 WeakPolarHBondContact O-CB 3.22Å; D318-T322 PolarHBondContact O-N 3.35Å; D318-T322 PolarHBondContact O-OG1 3.43Å; T322-V324 HydrophobicContact CG2-CG2 3.68Å; T322-T372 CarbonylContact C-O 3.6Å; T322-T372 WeakPolarHBondContact CA-O 3.35Å; T322-Y373 HydrophobicContact CG2-CD1 3.71Å; T322-Y373 HydrophobicContact CG2-CE1 4.35Å; T322-Y373 HydrophobicContact CG2-CG 4.2Å; T322-R374 PolarHBondContact OG1-N 3.26Å
323	S	82.1	Confident	69.8	Low	41 Å²	41	84.4 Å²	84.4	29%	0.287	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	107.7	172	60.2	0	0	0	0	110.2	T372	S323-T372 PolarHBondContact N-O 3.04Å; S323-T372 PolarHBondContact O-N 2.97Å; S323-T372 VanDerWaalsContact OG-CG2 3.22Å; S323-T372 WeakPolarHBondContact OG-CG2 3.36Å
324	V	73.9	Confident	66.7	Low	42 Å²	42	85.6 Å²	85.6	26%	0.255	46%	0.461	S	S	.	.			trans	-124.3	137.7	175.7	175.9	0	0	0	0	106.4	T322 E326 V371 Y373	T322-V324 HydrophobicContact CG2-CG2 3.68Å; V324-E326 PolarHBondContact O-N 2.86Å; V324-E326 VanDerWaalsContact O-N 3.11Å; V324-V371 HydrophobicContact CG2-CG1 4.26Å; V324-Y373 HydrophobicContact CG2-CD1 3.97Å; V324-Y373 HydrophobicContact CG2-CE1 3.34Å; V324-Y373 HydrophobicContact CG2-CE2 4.28Å; V324-Y373 VanDerWaalsContact CG2-CZ 3.48Å
325	E	61.9	Low	63.5	Low	135 Å²	135	90.2 Å²	90.2	63%	0.631	49%	0.494	S	S	*	.			trans	-67.9	109.3	165.7	-71.2	-172.1	163.3	0	0	108.1	S327	E325-S327 PolarHBondContact O-N 2.96Å
326	E	49.6	Very low	60.6	Low	185 Å²	185	97.6 Å²	97.6	86%	0.864	53%	0.533	S	S	*	.			trans	-70.9	84.4	173.2	-169.7	162.2	-134.4	0	0	108.2	V324 D328	V324-E326 PolarHBondContact O-N 2.86Å; V324-E326 VanDerWaalsContact O-N 3.11Å; E326-D328 PolarHBondContact O-N 3.14Å
327	S	39.9	Very low	57.7	Low	96 Å²	96	105.6 Å²	105.6	67%	0.671	57%	0.568	S	S	*	*			trans	-66.2	110.8	169.9	58.5	0	0	0	0	108.1	E325	E325-S327 PolarHBondContact O-N 2.96Å
328	D	31.6	Very low	54.4	Low	140 Å²	140	112.7 Å²	112.7	75%	0.749	61%	0.606	S	S	*	*			trans	-43.2	142.1	178.4	-73.1	-61	0	0	0	111.8	E326 M330	E326-D328 PolarHBondContact O-N 3.14Å; D328-M330 PolarHBondContact O-N 2.9Å
329	P	38.6	Very low	51.3	Low	119 Å²	119	122.6 Å²	122.6	77%	0.773	65%	0.649	S	S	*	*			trans	-57.4	111.5	176.8	25.2	-33.6	0	0	0	108.6	E331	P329-E331 PolarHBondContact O-N 3.35Å
330	M	36.7	Very low	48.3	Very low	179 Å²	179	124.9 Å²	124.9	88%	0.882	66%	0.66	S	S	*	*			trans	-60.6	101.5	-171.3	-172.5	174.6	-63.5	0	0	109.7	D328 F332	D328-M330 PolarHBondContact O-N 2.9Å; M330-F332 PolarHBondContact O-N 2.98Å
331	E	33.1	Very low	45.3	Very low	181 Å²	181	125.1 Å²	125.1	85%	0.846	67%	0.67	S	S	*	*			trans	-57.2	106.2	177.3	-75.5	-166.5	140.3	0	0	108.6	P329 S333	P329-E331 PolarHBondContact O-N 3.35Å; E331-S333 PolarHBondContact O-N 3.17Å
332	F	35.1	Very low	42.4	Very low	201 Å²	201	133.5 Å²	133.5	88%	0.882	71%	0.707	S	S	*	*			trans	-74.7	76.5	169.4	-161.5	-86.5	0	0	0	107.3	M330 G334	M330-F332 PolarHBondContact O-N 2.98Å; F332-G334 PolarHBondContact O-N 2.87Å
333	S	33.3	Very low	39.6	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	74%	0.738	S	S	*	*			trans	-67	79.5	171.7	-170.4	0	0	0	0	108.2	E331 S335	E331-S333 PolarHBondContact O-N 3.17Å; S333-S335 VanDerWaalsContact C-N 3.32Å; S333-S335 PolarHBondContact O-N 2.85Å
334	G	33	Very low	37.1	Very low	53 Å²	53	142.3 Å²	142.3	55%	0.546	76%	0.759	S	S	.	*			trans	-70.4	91	171.3	0	0	0	0	0	108.3	F332 D336	F332-G334 PolarHBondContact O-N 2.87Å; G334-D336 VanDerWaalsContact C-N 3.32Å; G334-D336 PolarHBondContact O-N 2.93Å
335	S	32.5	Very low	34.8	Very low	110 Å²	110	149.5 Å²	149.5	77%	0.769	79%	0.79	S	S	*	*			trans	-68.5	93.2	163.4	56.6	0	0	0	0	108.7	S333 E337	S333-S335 VanDerWaalsContact C-N 3.32Å; S333-S335 PolarHBondContact O-N 2.85Å; S335-E337 PolarHBondContact O-N 2.87Å
336	D	36.8	Very low	33.2	Very low	159 Å²	159	153.3 Å²	153.3	85%	0.85	81%	0.805	S	S	*	*			trans	-56.8	114.3	153.3	-85.7	-33.9	0	0	0	107.9	G334	G334-D336 VanDerWaalsContact C-N 3.32Å; G334-D336 PolarHBondContact O-N 2.93Å
337	E	37.3	Very low	32.1	Very low	184 Å²	184	148.4 Å²	148.4	86%	0.86	80%	0.804	S	S	*	*			trans	-155.2	163.4	139.9	-73.7	-145.9	122.2	0	0	108.8	S335	S335-E337 PolarHBondContact O-N 2.87Å
338	D	30.9	Very low	31.7	Very low	156 Å²	156	154.5 Å²	154.5	83%	0.834	81%	0.812	S	S	*	*			trans	63.5	75.6	169.4	-66	-14.4	0	0	0	120.4
339	F	31.1	Very low	31.5	Very low	209 Å²	209	153.5 Å²	153.5	92%	0.917	81%	0.806	S	S	*	*			trans	-96.2	104.6	143.7	-121	-87.6	0	0	0	109.3
340	Q	30.2	Very low	31	Very low	158 Å²	158	158.4 Å²	158.4	74%	0.738	81%	0.81	S	S	*	*			trans	-172.4	144.3	143	-153.3	53.7	56.2	0	0	112.9
341	D	28.1	Very low	30.7	Very low	125 Å²	125	154.1 Å²	154.1	67%	0.668	80%	0.803	S	S	*	*			trans	34	113.8	160.1	-63.4	-5.2	0	0	0	121.6
342	Q	27.3	Very low	30.5	Very low	198 Å²	198	153 Å²	153	93%	0.925	80%	0.802	S	S	*	*				-167.1	166.2	95	-102.8	179.8	35.1	0	0	113.8
343	V	28.4	Very low	30.4	Very low	131 Å²	131	149 Å²	149	79%	0.794	80%	0.799	S	S	*	*			trans	-124.4	126.3	-164.2	172.1	0	0	0	0	111.7
344	V	30.1	Very low	30.7	Very low	121 Å²	121	150.2 Å²	150.2	73%	0.733	80%	0.802	S	S	*	*			trans	58.1	117.1	161.8	175.6	0	0	0	0	118
345	Q	26.4	Very low	30.9	Very low	193 Å²	193	156.8 Å²	156.8	90%	0.902	82%	0.819	S	S	*	*			trans	-161.9	155	130.3	-111.2	162.5	20.5	0	0	113.6
346	F	27.9	Very low	30.9	Very low	215 Å²	215	157 Å²	157	94%	0.943	82%	0.82	S	S	*	*			trans	-88.9	138.2	174	-80.6	-110.9	0	0	0	110.3
347	G	26.6	Very low	31	Very low	82 Å²	82	161.2 Å²	161.2	85%	0.845	82%	0.824	S	S	*	*			trans	-160.6	137	176.5	0	0	0	0	0	113.4
348	R	30.3	Very low	31	Very low	224 Å²	224	160.9 Å²	160.9	85%	0.845	83%	0.827	S	S	*	*			trans	-94.2	156.1	-166.9	-115.9	-172.9	-173.4	-175.7	3.4	114.9
349	D	27.4	Very low	31.2	Very low	118 Å²	118	158.7 Å²	158.7	63%	0.631	82%	0.824	S	S	*	*			trans	83	141.8	141.6	-65.9	-14.5	0	0	0	123.8
350	R	28.3	Very low	31.3	Very low	223 Å²	223	158.9 Å²	158.9	84%	0.842	83%	0.825	S	S	*	*			trans	74.9	88.7	152.6	-82.9	-175.6	163.1	90.6	-2.3	122.2
351	A	31.1	Very low	31.8	Very low	89 Å²	89	162.6 Å²	162.6	74%	0.736	83%	0.832	S	S	*	*				53.8	147.4	107.6	0	0	0	0	0	123.3
352	N	28.4	Very low	32	Very low	156 Å²	156	164.9 Å²	164.9	83%	0.834	84%	0.844	S	S	*	*			trans	79.5	97.1	162.4	-64.7	-4.4	0	0	0	120
353	S	33	Very low	32.3	Very low	117 Å²	117	160.3 Å²	160.3	82%	0.818	83%	0.834	S	S	*	*			trans	-158.9	49.8	145.6	55.8	0	0	0	0	113.9	Q355	S353-Q355 PolarHBondContact O-N 3.25Å
354	T	39.9	Very low	32.6	Very low	133 Å²	133	160.4 Å²	160.4	82%	0.816	84%	0.835	S	S	*	*			trans	-73.2	80.9	170.4	50	0	0	0	0	112.2
355	Q	36.3	Very low	33	Very low	192 Å²	192	162.6 Å²	162.6	90%	0.897	84%	0.843	S	S	*	*			trans	-177.2	107	155.3	-110.1	172	74.2	0	0	113.8	S353	S353-Q355 PolarHBondContact O-N 3.25Å
356	S	33.9	Very low	33.6	Very low	113 Å²	113	158.4 Å²	158.4	79%	0.79	84%	0.835	S	S	*	*			trans	-167.9	34.7	160.6	56.3	0	0	0	0	115.1
357	R	37.1	Very low	34.3	Very low	249 Å²	249	158.5 Å²	158.5	94%	0.94	83%	0.829	S	S	*	*	S	Bend	trans	-119.1	33.2	176.1	-77.8	-165.7	173	-162.2	-1.2	114.3
358	L	38.2	Very low	35.5	Very low	176 Å²	176	159.7 Å²	159.7	92%	0.921	82%	0.822	S	S	*	*			trans	-145.6	48	-170.7	-103.3	162.2	0	0	0	113.8
359	S	35.2	Very low	36.9	Very low	110 Å²	110	153 Å²	153	77%	0.769	81%	0.806	S	S	*	*			trans	-148.8	21.5	-178.4	55.3	0	0	0	0	117.1
360	K	33.8	Very low	39.4	Very low	214 Å²	214	150.2 Å²	150.2	93%	0.93	80%	0.795	S	S	*	*			trans	-132.9	62.4	164.9	-75.8	-164.8	177.1	-176.5	0	112.7
361	R	39.9	Very low	41.9	Very low	235 Å²	235	141 Å²	141	89%	0.887	76%	0.763	S	S	*	*			trans	-139.2	85.1	163	-104.4	-170.3	173	-173.4	-1.3	108.9
362	N	33.3	Very low	44.8	Very low	173 Å²	173	137.3 Å²	137.3	93%	0.925	73%	0.732	S	S	*	*			trans	-170.5	81.4	163.1	-103.8	-10.5	0	0	0	110.7
363	S	33.8	Very low	48	Very low	102 Å²	102	130.1 Å²	130.1	71%	0.713	69%	0.693	S	S	*	*	S	Bend	trans	-155.9	105.1	163.4	54	0	0	0	0	109.7
364	T	34.5	Very low	51.1	Low	133 Å²	133	124.6 Å²	124.6	82%	0.816	65%	0.654	S	S	*	*	S	Bend	trans	41.5	89.2	155.5	54.9	0	0	0	0	119	S366	T364-S366 PolarHBondContact O-N 2.74Å
365	D	37.5	Very low	53.9	Low	167 Å²	167	118.2 Å²	118.2	89%	0.893	62%	0.616	S	S	*	*			trans	52.9	29.8	134.8	-146	21	0	0	0	120
366	S	39.7	Very low	56.8	Low	105 Å²	105	109.1 Å²	109.1	73%	0.734	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-83.3	119.5	154.4	55.6	0	0	0	0	110.1	T364	T364-S366 PolarHBondContact O-N 2.74Å
367	R	41.6	Very low	59.9	Low	217 Å²	217	103.7 Å²	103.7	82%	0.819	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-66.4	140.1	152.7	-63.4	-177.6	-174.9	-178	2.8	106.8	V369	R367-V369 PolarHBondContact O-N 3.1Å
368	P	53.1	Low	62.9	Low	107 Å²	107	91.9 Å²	91.9	70%	0.695	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-56.4	126.9	170	25.5	-33.1	0	0	0	108.1	S370	P368-S370 PolarHBondContact O-N 2.84Å; P368-S370 VanDerWaalsContact O-N 3.14Å
369	V	59.5	Low	65.7	Low	85 Å²	85	83.5 Å²	83.5	52%	0.515	45%	0.447	S	S	.	.			trans	-76.4	106.1	180	179.1	0	0	0	0	106.8	R367 V371	R367-V369 PolarHBondContact O-N 3.1Å; V369-V371 PolarHBondContact O-N 2.58Å; V369-V371 VanDerWaalsContact O-N 3.15Å
370	S	79	Confident	68.7	Low	58 Å²	58	81 Å²	81	41%	0.406	42%	0.423	S	S	.	.			trans	-51.2	120.8	-179.5	-175.3	0	0	0	0	109.7	P368 T372 E391	P368-S370 PolarHBondContact O-N 2.84Å; P368-S370 VanDerWaalsContact O-N 3.14Å; S370-T372 PolarHBondContact O-N 3.32Å; S370-T372 VanDerWaalsContact O-N 3.14Å; S370-E391 WeakPolarHBondContact CA-OE1 3.18Å; S370-E391 WeakPolarHBondContact CA-OE2 3.3Å; S370-E391 VanDerWaalsContact CB-OE2 3.32Å; S370-E391 WeakPolarHBondContact CB-OE2 3.21Å; S370-E391 PolarHBondContact OG-OE2 2.98Å
371	V	81	Confident	71.7	Confident	29 Å²	29	71.9 Å²	71.9	18%	0.176	38%	0.384	C	S	.	.			trans	-63	118	-172.8	-179.4	0	0	0	0	109.3	V324 V369 Y373 E391 L394	V324-V371 HydrophobicContact CG2-CG1 4.26Å; V369-V371 PolarHBondContact O-N 2.58Å; V369-V371 VanDerWaalsContact O-N 3.15Å; V371-Y373 HydrophobicContact CG1-CD2 4.39Å; V371-Y373 HydrophobicContact CG1-CE2 3.55Å; V371-E391 HydrophobicContact CB-CG 4.09Å; V371-E391 VanDerWaalsContact N-CD 3.29Å; V371-E391 PolarHBondContact N-OE1 2.91Å; V371-L394 HydrophobicContact CG1-CD1 4.39Å
372	T	91.2	Very high	74.5	Confident	13 Å²	13	61.4 Å²	61.4	8%	0.08	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	127.9	178.3	-178.9	0	0	0	0	112.3	T322 S323 S370 L389	T322-T372 CarbonylContact C-O 3.6Å; T322-T372 WeakPolarHBondContact CA-O 3.35Å; S323-T372 PolarHBondContact N-O 3.04Å; S323-T372 PolarHBondContact O-N 2.97Å; S323-T372 VanDerWaalsContact OG-CG2 3.22Å; S323-T372 WeakPolarHBondContact OG-CG2 3.36Å; S370-T372 PolarHBondContact O-N 3.32Å; S370-T372 VanDerWaalsContact O-N 3.14Å; T372-L389 CarbonylContact C-O 3.47Å; T372-L389 WeakPolarHBondContact CA-O 3.28Å; T372-L389 WeakPolarHBondContact CB-O 3.49Å; T372-L389 PolarHBondContact OG1-O 2.94Å
373	Y	96.4	Very high	77.6	Confident	4 Å²	4	54 Å²	54	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	143.1	174.2	-52.8	-103.2	0	0	0	108.7	D278 Y281 F317 T322 V324 V371 D388 L389 L394	D278-Y373 PolarHBondContact OD2-OH 3.03Å; Y281-Y373 HydrophobicContact CD2-CD2 4.48Å; Y281-Y373 HydrophobicContact CD2-CE1 4.09Å; Y281-Y373 AromaticContact CD2-CE2 3.96Å; Y281-Y373 HydrophobicContact CD2-CE2 3.96Å; Y281-Y373 AromaticContact CD2-CZ 3.77Å; Y281-Y373 HydrophobicContact CE2-CD2 4.42Å; Y281-Y373 HydrophobicContact CE2-CE1 4.32Å; Y281-Y373 AromaticContact CE2-CE2 3.59Å; Y281-Y373 HydrophobicContact CE2-CE2 3.59Å; Y281-Y373 AromaticContact CE2-CZ 3.55Å; F317-Y373 HydrophobicContact CD1-CD1 4.48Å; F317-Y373 HydrophobicContact CE1-CD1 4.19Å; F317-Y373 HydrophobicContact CE1-CG 4.25Å; T322-Y373 HydrophobicContact CG2-CD1 3.71Å; T322-Y373 HydrophobicContact CG2-CE1 4.35Å; T322-Y373 HydrophobicContact CG2-CG 4.2Å; V324-Y373 HydrophobicContact CG2-CD1 3.97Å; V324-Y373 HydrophobicContact CG2-CE1 3.34Å; V324-Y373 HydrophobicContact CG2-CE2 4.28Å; V324-Y373 VanDerWaalsContact CG2-CZ 3.48Å; V371-Y373 HydrophobicContact CG1-CD2 4.39Å; V371-Y373 HydrophobicContact CG1-CE2 3.55Å; Y373-D388 CarbonylContact O-C 3.54Å; Y373-D388 WeakPolarHBondContact O-CA 3.48Å; Y373-L389 HydrophobicContact CD2-CB 4.32Å; Y373-L389 PolarHBondContact N-O 3.4Å; Y373-L389 PolarHBondContact O-N 2.82Å; Y373-L394 HydrophobicContact CD2-CD1 3.95Å; Y373-L394 HydrophobicContact CE2-CD1 3.64Å
374	R	97.4	Very high	80.7	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.3	162	-179.6	156.9	-60.1	127.5	-4	110.6	R25 E26 F317 D318 T321 T322 W387 D388	R25-R374 VanDerWaalsContact CZ-NH2 3.32Å; E26-R374 IonicContact OE1-CZ 3.6Å; E26-R374 IonicContact OE1-NH1 3.98Å; E26-R374 PolarHBondContact OE1-NH1 3.31Å; E26-R374 IonicContact OE1-NH2 3.18Å; E26-R374 PolarHBondContact OE1-NH2 2.6Å; E26-R374 IonicContact OE2-CZ 3.62Å; E26-R374 IonicContact OE2-NH1 3.06Å; E26-R374 PolarHBondContact OE2-NH1 3.44Å; E26-R374 IonicContact OE2-NH2 3.74Å; F317-R374 WeakPolarHBondContact CD1-O 3.14Å; D318-R374 HydrophobicContact CB-CB 4.13Å; D318-R374 HydrophobicContact CB-CG 4.08Å; D318-R374 PolarHBondContact N-O 2.85Å; T321-R374 VanDerWaalsContact CB-NH1 3.25Å; T321-R374 PolarHBondContact OG1-NH1 3.33Å; T322-R374 PolarHBondContact OG1-N 3.26Å; R374-W387 WeakPolarHBondContact CA-O 3.35Å; R374-D388 IonicContact CZ-OD1 3.87Å; R374-D388 IonicContact NE-OD1 3.67Å; R374-D388 PolarHBondContact NE-OD1 2.82Å; R374-D388 VanDerWaalsContact NH2-CG 3.33Å; R374-D388 IonicContact NH2-OD1 2.82Å; R374-D388 PolarHBondContact NH2-OD1 2.75Å; R374-D388 IonicContact NH2-OD2 2.68Å; R374-D388 PolarHBondContact NH2-OD2 3.03Å
375	F	98.6	Very high	83.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	163.1	161.6	73.3	-86.3	0	0	0	110.9	V283 V291 V293 A316 F317 W387 L389 L550	V283-F375 HydrophobicContact CB-CD2 4.49Å; V283-F375 HydrophobicContact CG1-CD2 3.89Å; V283-F375 HydrophobicContact CG1-CE2 3.7Å; V283-F375 HydrophobicContact CG1-CZ 4.33Å; V283-F375 HydrophobicContact CG2-CD1 4.15Å; V283-F375 HydrophobicContact CG2-CD2 4.12Å; V283-F375 HydrophobicContact CG2-CE1 4.21Å; V283-F375 HydrophobicContact CG2-CE2 4.18Å; V283-F375 HydrophobicContact CG2-CG 4.1Å; V283-F375 HydrophobicContact CG2-CZ 4.23Å; V291-F375 HydrophobicContact CB-CE2 4.1Å; V291-F375 HydrophobicContact CG1-CE2 4.32Å; V291-F375 HydrophobicContact CG2-CE2 3.88Å; V291-F375 HydrophobicContact CG2-CZ 4Å; V293-F375 HydrophobicContact CG2-CE1 4.16Å; V293-F375 HydrophobicContact CG2-CZ 4.05Å; A316-F375 CarbonylContact O-C 3.59Å; A316-F375 VanDerWaalsContact O-CA 3.27Å; A316-F375 WeakPolarHBondContact O-CA 3.39Å; A316-F375 WeakPolarHBondContact O-CB 3.42Å; F317-F375 HydrophobicContact CD1-CB 3.92Å; F317-F375 HydrophobicContact CD2-CB 4.29Å; F317-F375 HydrophobicContact CE1-CB 4.18Å; F317-F375 HydrophobicContact CE1-CD1 4.46Å; F317-F375 HydrophobicContact CG-CB 4Å; F317-F375 HydrophobicContact CZ-CB 4.49Å; F375-W387 HydrophobicContact CD1-CB 3.94Å; F375-W387 HydrophobicContact CD2-CB 4.27Å; F375-W387 AromaticContact CD2-CD1 3.51Å; F375-W387 HydrophobicContact CD2-CG 4.11Å; F375-W387 HydrophobicContact CE1-CB 3.55Å; F375-W387 HydrophobicContact CE1-CG 4.13Å; F375-W387 HydrophobicContact CE2-CB 3.91Å; F375-W387 AromaticContact CE2-CD1 3.23Å; F375-W387 HydrophobicContact CE2-CD2 4.29Å; F375-W387 AromaticContact CE2-CG 3.57Å; F375-W387 HydrophobicContact CE2-CG 3.57Å; F375-W387 AromaticContact CE2-NE1 3.77Å; F375-W387 HydrophobicContact CG-CB 4.28Å; F375-W387 HydrophobicContact CZ-CB 3.53Å; F375-W387 AromaticContact CZ-CD1 3.76Å; F375-W387 HydrophobicContact CZ-CD2 4.24Å; F375-W387 AromaticContact CZ-CG 3.58Å; F375-W387 HydrophobicContact CZ-CG 3.58Å; F375-W387 PolarHBondContact N-O 2.88Å; F375-W387 PolarHBondContact O-N 3.3Å; F375-L389 HydrophobicContact CD1-CD1 4.1Å; F375-L389 HydrophobicContact CD1-CG 4.2Å; F375-L389 HydrophobicContact CE1-CD1 3.98Å; F375-L389 HydrophobicContact CE1-CD2 4.16Å; F375-L389 HydrophobicContact CE1-CG 3.89Å; F375-L550 HydrophobicContact CE1-CD1 4.27Å; F375-L550 HydrophobicContact CZ-CD1 4.14Å
376	G	98.8	Very high	86.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161.8	173.5	0	0	0	0	0	111.4	V315 A316 C385 L566	V315-G376 WeakPolarHBondContact CA-O 3.43Å; A316-G376 PolarHBondContact N-O 3.2Å; A316-G376 PolarHBondContact O-N 2.87Å; G376-C385 CarbonylContact C-O 3.48Å; G376-C385 VanDerWaalsContact CA-O 3.22Å; G376-C385 WeakPolarHBondContact CA-O 3.35Å; G376-L566 WeakPolarHBondContact O-CD2 3.44Å
377	S	98.9	Very high	89.5	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.2	175.1	60.6	0	0	0	0	111.4	H308 V314 C385 W387	H308-S377 PolarHBondContact CD2-OG 3.09Å; H308-S377 PolarHBondContact NE2-OG 2.89Å; V314-S377 VanDerWaalsContact O-CA 3.27Å; V314-S377 WeakPolarHBondContact O-CA 3.39Å; S377-C385 PolarHBondContact N-O 2.83Å; S377-C385 PolarHBondContact O-N 3.02Å; S377-W387 PolarHBondContact OG-NE1 2.81Å
378	V	98.9	Very high	92.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.9	175.3	-68.4	0	0	0	0	110.5	S313 V314 Q383 L384 L563 L566 T575	S313-V378 WeakPolarHBondContact CA-O 3.48Å; S313-V378 WeakPolarHBondContact CB-O 3.24Å; S313-V378 PolarHBondContact N-O 2.87Å; V314-V378 HydrophobicContact CB-CG2 3.78Å; V314-V378 HydrophobicContact CG2-CG2 4.22Å; V314-V378 PolarHBondContact N-O 3.29Å; V314-V378 PolarHBondContact O-N 3.03Å; V378-Q383 WeakPolarHBondContact CA-O 3.31Å; V378-L384 HydrophobicContact CG1-CB 4.18Å; V378-L384 HydrophobicContact CG1-CD1 3.64Å; V378-L563 HydrophobicContact CB-CB 3.69Å; V378-L563 HydrophobicContact CB-CD1 3.77Å; V378-L563 HydrophobicContact CB-CG 4.32Å; V378-L563 HydrophobicContact CG1-CB 4.42Å; V378-L563 HydrophobicContact CG1-CD1 3.85Å; V378-L563 HydrophobicContact CG2-CB 3.97Å; V378-L566 HydrophobicContact CG1-CB 4.05Å; V378-L566 HydrophobicContact CG1-CD2 4.33Å; V378-L566 HydrophobicContact CG2-CB 3.82Å; V378-T575 HydrophobicContact CG1-CG2 4.38Å
379	G	98.1	Very high	94.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	171.6	-171.3	0	0	0	0	0	115.1	H308 W311 D381 T382 Q383 L563	H308-G379 PolarHBondContact CE1-N 2.87Å; W311-G379 CarbonylContact O-C 3.45Å; W311-G379 WeakPolarHBondContact O-CA 3.4Å; G379-D381 WeakPolarHBondContact CA-OD1 3.39Å; G379-D381 PolarHBondContact O-N 3.44Å; G379-T382 PolarHBondContact O-N 2.59Å; G379-Q383 PolarHBondContact N-O 2.9Å; G379-L563 PolarHBondContact O-N 3.12Å
380	Q	97.7	Very high	95.6	Very high	57 Å²	57	13.4 Å²	13.4	27%	0.266	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.7	167.4	-64	-164.1	66.8	0	0	112.5	W311 S313 T382 R562	W311-Q380 HydrophobicContact CB-CG 4.46Å; W311-Q380 PolarHBondContact O-N 2.87Å; S313-Q380 WeakPolarHBondContact OG-CG 3.42Å; S313-Q380 PolarHBondContact OG-N 2.92Å; Q380-T382 PolarHBondContact O-N 3.13Å; Q380-R562 HydrophobicContact CB-CB 4.26Å; Q380-R562 HydrophobicContact CG-CB 4.33Å
381	D	97.7	Very high	96	Very high	24 Å²	24	14 Å²	14	13%	0.128	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	0	170.9	67.8	-6.6	0	0	0	114.6	H308 K309 G379 Q383	H308-D381 WeakPolarHBondContact CA-OD2 3.37Å; H308-D381 WeakPolarHBondContact CB-OD2 3.48Å; H308-D381 IonicContact CE1-OD1 2.67Å; H308-D381 IonicContact CG-OD2 3.69Å; H308-D381 IonicContact ND1-OD1 3.32Å; H308-D381 PolarHBondContact ND1-OD1 3.02Å; H308-D381 IonicContact ND1-OD2 3.46Å; H308-D381 PolarHBondContact ND1-OD2 2.79Å; K309-D381 HydrophobicContact CB-CB 4.09Å; K309-D381 PolarHBondContact N-OD2 3.38Å; G379-D381 WeakPolarHBondContact CA-OD1 3.39Å; G379-D381 PolarHBondContact O-N 3.44Å; D381-Q383 HydrophobicContact CB-CG 4.4Å; D381-Q383 PolarHBondContact O-N 3.48Å; D381-Q383 PolarHBondContact OD1-N 2.66Å; D381-Q383 PolarHBondContact OD2-NE2 3.47Å
382	T	97.9	Very high	96.4	Very high	14 Å²	14	17.4 Å²	17.4	9%	0.086	9%	0.09	C	C	.	.	S	Bend	trans	67	14.8	-178.2	75.1	0	0	0	0	114.6	G379 Q380 K557 I558 A559 E561	G379-T382 PolarHBondContact O-N 2.59Å; Q380-T382 PolarHBondContact O-N 3.13Å; T382-K557 PolarHBondContact OG1-NZ 3.13Å; T382-I558 PolarHBondContact O-N 2.98Å; T382-A559 WeakPolarHBondContact CB-O 3.3Å; T382-E561 VanDerWaalsContact CG2-C 3.46Å; T382-E561 WeakPolarHBondContact CG2-O 3.14Å
383	Q	98.4	Very high	96.3	Very high	18 Å²	18	17.9 Å²	17.9	8%	0.084	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.4	-179.4	-54.4	-176.2	122.4	0	0	112	H308 V378 G379 D381 C555 K556 L563	H308-Q383 PolarHBondContact CE1-O 3.14Å; V378-Q383 WeakPolarHBondContact CA-O 3.31Å; G379-Q383 PolarHBondContact N-O 2.9Å; D381-Q383 HydrophobicContact CB-CG 4.4Å; D381-Q383 PolarHBondContact O-N 3.48Å; D381-Q383 PolarHBondContact OD1-N 2.66Å; D381-Q383 PolarHBondContact OD2-NE2 3.47Å; Q383-C555 VanDerWaalsContact CD-SG 3.54Å; Q383-K556 CarbonylContact C-O 3.51Å; Q383-K556 WeakPolarHBondContact CA-O 3.39Å; Q383-L563 WeakPolarHBondContact O-CD1 3.36Å
384	L	98.7	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.9	161.9	169.8	66.3	0	0	0	108.6	F22 V378 L386 I554 C555 K556 I558 L566 L573	F22-L384 HydrophobicContact CE1-CD2 3.76Å; F22-L384 HydrophobicContact CZ-CD2 3.98Å; V378-L384 HydrophobicContact CG1-CB 4.18Å; V378-L384 HydrophobicContact CG1-CD1 3.64Å; L384-L386 HydrophobicContact CD1-CD2 4.31Å; L384-I554 HydrophobicContact CD2-CD1 4.28Å; L384-I554 HydrophobicContact CG-CD1 4.17Å; L384-C555 WeakPolarHBondContact O-CA 3.48Å; L384-K556 PolarHBondContact N-O 3.26Å; L384-K556 PolarHBondContact O-N 3.3Å; L384-I558 HydrophobicContact CB-CD1 3.72Å; L384-I558 HydrophobicContact CB-CG1 4.06Å; L384-I558 HydrophobicContact CB-CG2 4.31Å; L384-I558 HydrophobicContact CD2-CD1 4.36Å; L384-L566 HydrophobicContact CD1-CD1 3.99Å; L384-L566 HydrophobicContact CD1-CD2 4.17Å; L384-L573 HydrophobicContact CD2-CD1 4.46Å
385	C	98.8	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.1	168.2	-62.6	0	0	0	0	110.2	H308 G376 S377 W387 P552 I554	H308-C385 VanDerWaalsContact CE1-SG 3.52Å; H308-C385 PolarHBondContact NE2-SG 2.86Å; G376-C385 CarbonylContact C-O 3.48Å; G376-C385 VanDerWaalsContact CA-O 3.22Å; G376-C385 WeakPolarHBondContact CA-O 3.35Å; S377-C385 PolarHBondContact N-O 2.83Å; S377-C385 PolarHBondContact O-N 3.02Å; C385-W387 HydrophobicContact CB-CZ2 3.58Å; C385-P552 HydrophobicContact CB-CB 4.05Å; C385-I554 VanDerWaalsContact CA-O 3.24Å; C385-I554 WeakPolarHBondContact CA-O 3.09Å
386	L	98.6	Very high	94.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.2	166	-62.4	179.9	0	0	0	109.9	F22 T24 L384 P552 L553 I554 F568	F22-L386 HydrophobicContact CE2-CD1 3.64Å; F22-L386 HydrophobicContact CZ-CD1 4.09Å; T24-L386 HydrophobicContact CG2-CD1 4.05Å; L384-L386 HydrophobicContact CD1-CD2 4.31Å; L386-P552 CarbonylContact O-C 3.6Å; L386-P552 WeakPolarHBondContact O-CA 3.47Å; L386-L553 HydrophobicContact CB-CD1 4.36Å; L386-L553 WeakPolarHBondContact O-CB 3.5Å; L386-L553 PolarHBondContact O-N 3.12Å; L386-I554 HydrophobicContact CB-CG1 3.98Å; L386-I554 HydrophobicContact CD1-CD1 4.36Å; L386-I554 HydrophobicContact CD1-CG1 3.94Å; L386-I554 HydrophobicContact CG-CD1 4.12Å; L386-I554 HydrophobicContact CG-CG1 3.88Å; L386-I554 PolarHBondContact N-O 3.24Å; L386-I554 VanDerWaalsContact N-O 3.07Å; L386-F568 HydrophobicContact CD2-CE1 4.17Å; L386-F568 HydrophobicContact CD2-CZ 3.75Å
387	W	98.3	Very high	92.8	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.2	-171.5	-42.2	86.5	0	0	0	109.2	V291 R374 F375 S377 C385 L550 P552	V291-W387 HydrophobicContact CG1-CZ2 4.42Å; V291-W387 HydrophobicContact CG2-CD2 4.17Å; V291-W387 HydrophobicContact CG2-CE3 4.46Å; V291-W387 HydrophobicContact CG2-CH2 4.08Å; V291-W387 HydrophobicContact CG2-CZ2 3.73Å; V291-W387 HydrophobicContact CG2-CZ3 4.42Å; R374-W387 WeakPolarHBondContact CA-O 3.35Å; F375-W387 HydrophobicContact CD1-CB 3.94Å; F375-W387 HydrophobicContact CD2-CB 4.27Å; F375-W387 AromaticContact CD2-CD1 3.51Å; F375-W387 HydrophobicContact CD2-CG 4.11Å; F375-W387 HydrophobicContact CE1-CB 3.55Å; F375-W387 HydrophobicContact CE1-CG 4.13Å; F375-W387 HydrophobicContact CE2-CB 3.91Å; F375-W387 AromaticContact CE2-CD1 3.23Å; F375-W387 HydrophobicContact CE2-CD2 4.29Å; F375-W387 AromaticContact CE2-CG 3.57Å; F375-W387 HydrophobicContact CE2-CG 3.57Å; F375-W387 AromaticContact CE2-NE1 3.77Å; F375-W387 HydrophobicContact CG-CB 4.28Å; F375-W387 HydrophobicContact CZ-CB 3.53Å; F375-W387 AromaticContact CZ-CD1 3.76Å; F375-W387 HydrophobicContact CZ-CD2 4.24Å; F375-W387 AromaticContact CZ-CG 3.58Å; F375-W387 HydrophobicContact CZ-CG 3.58Å; F375-W387 PolarHBondContact N-O 2.88Å; F375-W387 PolarHBondContact O-N 3.3Å; S377-W387 PolarHBondContact OG-NE1 2.81Å; C385-W387 HydrophobicContact CB-CZ2 3.58Å; W387-L550 HydrophobicContact CE3-CB 3.97Å; W387-L550 HydrophobicContact CZ3-CB 4.27Å; W387-P552 HydrophobicContact CD2-CB 4.21Å; W387-P552 HydrophobicContact CE3-CB 3.9Å; W387-P552 HydrophobicContact CH2-CB 3.92Å; W387-P552 HydrophobicContact CH2-CG 4.19Å; W387-P552 HydrophobicContact CZ2-CB 4.23Å; W387-P552 HydrophobicContact CZ3-CB 3.74Å; W387-P552 HydrophobicContact CZ3-CG 4.11Å
388	D	96.3	Very high	91	Very high	23 Å²	23	39.9 Å²	39.9	12%	0.123	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.7	167.4	-76.4	-12.1	0	0	0	108.9	R25 Y373 R374 L553	R25-D388 IonicContact CZ-OD2 3.88Å; R25-D388 IonicContact NE-OD2 3.01Å; R25-D388 IonicContact NH1-OD2 3.42Å; R25-D388 PolarHBondContact NH1-OD2 3.42Å; Y373-D388 CarbonylContact O-C 3.54Å; Y373-D388 WeakPolarHBondContact O-CA 3.48Å; R374-D388 IonicContact CZ-OD1 3.87Å; R374-D388 IonicContact NE-OD1 3.67Å; R374-D388 PolarHBondContact NE-OD1 2.82Å; R374-D388 VanDerWaalsContact NH2-CG 3.33Å; R374-D388 IonicContact NH2-OD1 2.82Å; R374-D388 PolarHBondContact NH2-OD1 2.75Å; R374-D388 IonicContact NH2-OD2 2.68Å; R374-D388 PolarHBondContact NH2-OD2 3.03Å; D388-L553 HydrophobicContact CB-CD1 4.11Å; D388-L553 HydrophobicContact CB-CD2 4.22Å; D388-L553 VanDerWaalsContact CG-CD1 3.41Å; D388-L553 WeakPolarHBondContact OD1-CD1 3.45Å
389	L	95	Very high	88.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.3	162.2	-62.5	171.3	0	0	0	107.2	V293 F317 T372 Y373 F375 I393 L394 L550	V293-L389 HydrophobicContact CG1-CD1 3.74Å; V293-L389 HydrophobicContact CG1-CD2 4.45Å; V293-L389 HydrophobicContact CG2-CD2 4.26Å; F317-L389 HydrophobicContact CE1-CD1 4.44Å; T372-L389 CarbonylContact C-O 3.47Å; T372-L389 WeakPolarHBondContact CA-O 3.28Å; T372-L389 WeakPolarHBondContact CB-O 3.49Å; T372-L389 PolarHBondContact OG1-O 2.94Å; Y373-L389 HydrophobicContact CD2-CB 4.32Å; Y373-L389 PolarHBondContact N-O 3.4Å; Y373-L389 PolarHBondContact O-N 2.82Å; F375-L389 HydrophobicContact CD1-CD1 4.1Å; F375-L389 HydrophobicContact CD1-CG 4.2Å; F375-L389 HydrophobicContact CE1-CD1 3.98Å; F375-L389 HydrophobicContact CE1-CD2 4.16Å; F375-L389 HydrophobicContact CE1-CG 3.89Å; L389-I393 HydrophobicContact CD2-CG2 4.12Å; L389-L394 HydrophobicContact CB-CD2 4.21Å; L389-L550 HydrophobicContact CD2-CD1 3.77Å; L389-L550 HydrophobicContact CD2-CD2 4.2Å
390	T	91.8	Very high	86.5	Confident	39 Å²	39	52.9 Å²	52.9	24%	0.239	28%	0.279	C	S	.	.			trans	-133.5	163.6	-175.7	43.2	0	0	0	0	110.4	D392 I393 L394	T390-D392 WeakPolarHBondContact CB-OD1 3.49Å; T390-D392 PolarHBondContact O-N 3.18Å; T390-D392 VanDerWaalsContact O-N 3.08Å; T390-D392 PolarHBondContact OG1-OD1 3.45Å; T390-I393 WeakPolarHBondContact O-CB 3.31Å; T390-I393 PolarHBondContact O-N 2.94Å; T390-L394 WeakPolarHBondContact O-CG 3.46Å; T390-L394 PolarHBondContact O-N 3.19Å
391	E	87.9	Confident	84.1	Confident	69 Å²	69	55.8 Å²	55.8	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-57.6	-26.3	-171.1	-67.3	177.2	147.9	0	0	115	S370 V371 F395	S370-E391 WeakPolarHBondContact CA-OE1 3.18Å; S370-E391 WeakPolarHBondContact CA-OE2 3.3Å; S370-E391 VanDerWaalsContact CB-OE2 3.32Å; S370-E391 WeakPolarHBondContact CB-OE2 3.21Å; S370-E391 PolarHBondContact OG-OE2 2.98Å; V371-E391 HydrophobicContact CB-CG 4.09Å; V371-E391 VanDerWaalsContact N-CD 3.29Å; V371-E391 PolarHBondContact N-OE1 2.91Å; E391-F395 HydrophobicContact CB-CD2 4.17Å; E391-F395 HydrophobicContact CG-CD2 4.32Å; E391-F395 HydrophobicContact CG-CE2 4.45Å; E391-F395 CarbonylContact O-C 3.59Å; E391-F395 WeakPolarHBondContact O-CA 3.5Å; E391-F395 WeakPolarHBondContact O-CB 3.42Å; E391-F395 PolarHBondContact O-N 3.21Å
392	D	88.3	Confident	81.4	Confident	101 Å²	101	66 Å²	66	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-70	-32.8	174.5	61.7	-51.6	0	0	0	113.2	T390 P396	T390-D392 WeakPolarHBondContact CB-OD1 3.49Å; T390-D392 PolarHBondContact O-N 3.18Å; T390-D392 VanDerWaalsContact O-N 3.08Å; T390-D392 PolarHBondContact OG1-OD1 3.45Å; D392-P396 WeakPolarHBondContact O-CA 3.3Å
393	I	90.2	Very high	78.5	Confident	24 Å²	24	71.6 Å²	71.6	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-79.5	-43.5	173.6	-62.2	158.3	0	0	0	110.4	A303 L389 T390 L550	A303-I393 HydrophobicContact CB-CG2 3.96Å; L389-I393 HydrophobicContact CD2-CG2 4.12Å; T390-I393 WeakPolarHBondContact O-CB 3.31Å; T390-I393 PolarHBondContact O-N 2.94Å; I393-L550 HydrophobicContact CD1-CD2 3.65Å; I393-L550 HydrophobicContact CG1-CD2 4.22Å; I393-L550 HydrophobicContact CG2-CD2 4.01Å
394	L	88.8	Confident	75.6	Confident	9 Å²	9	80.6 Å²	80.6	5%	0.047	41%	0.41	C	S	.	.	H	α-helix	trans	-73	-35.8	-176.7	-60.6	178.2	0	0	0	112.2	Y281 I302 V371 Y373 L389 T390	Y281-L394 HydrophobicContact CE1-CD2 3.99Å; Y281-L394 HydrophobicContact CE2-CD2 4.27Å; I302-L394 HydrophobicContact CD1-CD2 3.67Å; V371-L394 HydrophobicContact CG1-CD1 4.39Å; Y373-L394 HydrophobicContact CD2-CD1 3.95Å; Y373-L394 HydrophobicContact CE2-CD1 3.64Å; L389-L394 HydrophobicContact CB-CD2 4.21Å; T390-L394 WeakPolarHBondContact O-CG 3.46Å; T390-L394 PolarHBondContact O-N 3.19Å
395	F	85.2	Confident	72.5	Confident	85 Å²	85	86.4 Å²	86.4	37%	0.373	45%	0.446	S	S	.	.			trans	-134.6	60.6	-172.2	-46	-65.1	0	0	0	112.5	E391 H397 L398	E391-F395 HydrophobicContact CB-CD2 4.17Å; E391-F395 HydrophobicContact CG-CD2 4.32Å; E391-F395 HydrophobicContact CG-CE2 4.45Å; E391-F395 CarbonylContact O-C 3.59Å; E391-F395 WeakPolarHBondContact O-CA 3.5Å; E391-F395 WeakPolarHBondContact O-CB 3.42Å; E391-F395 PolarHBondContact O-N 3.21Å; F395-H397 PolarHBondContact O-N 2.91Å; F395-L398 HydrophobicContact CB-CB 4.36Å; F395-L398 HydrophobicContact CB-CD1 4Å; F395-L398 PolarHBondContact O-N 3.3Å
396	P	73	Confident	69.5	Low	83 Å²	83	92.8 Å²	92.8	54%	0.539	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	6.7	-176	28.9	-38.2	0	0	0	115.3	D392	D392-P396 WeakPolarHBondContact O-CA 3.3Å
397	H	69.8	Low	66.4	Low	171 Å²	171	98.7 Å²	98.7	79%	0.792	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	0.2	177.2	-57.6	-28.5	0	0	0	113.3	F395	F395-H397 PolarHBondContact O-N 2.91Å
398	L	62.3	Low	63.3	Low	118 Å²	118	105.4 Å²	105.4	62%	0.618	55%	0.547	S	S	*	.	S	Bend	trans	-70.3	136	170.3	-113.9	75	0	0	0	109.8	F395 L400	F395-L398 HydrophobicContact CB-CB 4.36Å; F395-L398 HydrophobicContact CB-CD1 4Å; F395-L398 PolarHBondContact O-N 3.3Å; L398-L400 PolarHBondContact O-N 2.81Å; L398-L400 VanDerWaalsContact O-N 3.13Å
399	P	51.4	Low	60.3	Low	115 Å²	115	110.5 Å²	110.5	75%	0.747	58%	0.579	S	S	*	*			trans	-67.8	114.7	176	27.3	-33.1	0	0	0	109.8	S401	P399-S401 PolarHBondContact O-N 3.32Å
400	L	49.5	Very low	57.4	Low	159 Å²	159	119.2 Å²	119.2	83%	0.832	62%	0.622	S	S	*	*			trans	-49.1	115.9	177.8	-70.1	172.9	0	0	0	110.7	L398 R402	L398-L400 PolarHBondContact O-N 2.81Å; L398-L400 VanDerWaalsContact O-N 3.13Å; L400-R402 PolarHBondContact O-N 2.85Å
401	S	48.8	Very low	54.5	Low	117 Å²	117	125.5 Å²	125.5	82%	0.818	65%	0.654	S	S	*	*			trans	-66.2	100.9	-179.4	-76.2	0	0	0	0	109.8	P399 T403	P399-S401 PolarHBondContact O-N 3.32Å; S401-T403 PolarHBondContact O-N 3.45Å
402	R	40.4	Very low	51.9	Low	240 Å²	240	126.3 Å²	126.3	91%	0.906	67%	0.673	S	S	*	*			trans	-56.2	109.3	179.8	-79.6	-171.7	176.8	-175.1	0.2	110.6	L400 R404	L400-R402 PolarHBondContact O-N 2.85Å; R402-R404 PolarHBondContact O-N 3.5Å
403	T	36.9	Very low	49.3	Very low	131 Å²	131	128 Å²	128	80%	0.804	69%	0.687	S	S	*	*			trans	-58.2	104.4	169.1	-46.4	0	0	0	0	109.1	S401 T405	S401-T403 PolarHBondContact O-N 3.45Å; T403-T405 PolarHBondContact O-N 2.96Å
404	R	38.7	Very low	46.4	Very low	206 Å²	206	130.2 Å²	130.2	78%	0.777	72%	0.716	S	S	*	*			trans	-71.4	99.9	-178.4	-174.5	-178.1	-178.9	-175.9	-0.5	109.3	R402 H406	R402-R404 PolarHBondContact O-N 3.5Å; R404-H406 PolarHBondContact O-N 2.94Å
405	T	32.1	Very low	44.4	Very low	122 Å²	122	135.8 Å²	135.8	75%	0.748	75%	0.752	S	S	*	*			trans	-65.4	101.3	175.5	36.6	0	0	0	0	110.6	T403 T407	T403-T405 PolarHBondContact O-N 2.96Å; T405-T407 PolarHBondContact O-N 3.26Å; T405-T407 VanDerWaalsContact O-N 3.17Å
406	H	36.3	Very low	42.5	Very low	135 Å²	135	137.3 Å²	137.3	63%	0.625	77%	0.771	S	S	*	*			trans	-74.7	100	170.8	-88	-107.4	0	0	0	109.8	R404 N408	R404-H406 PolarHBondContact O-N 2.94Å; H406-N408 PolarHBondContact O-N 2.55Å
407	T	32.5	Very low	40.4	Very low	125 Å²	125	138.4 Å²	138.4	77%	0.767	79%	0.787	S	S	*	*			trans	-74	87.9	170.1	51.2	0	0	0	0	109.9	T405 V409	T405-T407 PolarHBondContact O-N 3.26Å; T405-T407 VanDerWaalsContact O-N 3.17Å; T407-V409 PolarHBondContact O-N 3.2Å
408	N	33.6	Very low	38.4	Very low	141 Å²	141	133.8 Å²	133.8	75%	0.754	79%	0.786	S	S	*	*			trans	-69.5	108.9	171.1	-78.8	-1.4	0	0	0	109.9	H406	H406-N408 PolarHBondContact O-N 2.55Å
409	V	34.5	Very low	36.9	Very low	131 Å²	131	133.2 Å²	133.2	79%	0.794	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-78.2	121.9	168	-177.2	0	0	0	0	108.2	T407	T407-V409 PolarHBondContact O-N 3.2Å
410	M	33.1	Very low	35.8	Very low	183 Å²	183	132.4 Å²	132.4	90%	0.901	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76	127.1	176.8	-66.6	-178.9	176.1	0	0	110.3
411	N	30.4	Very low	34.9	Very low	171 Å²	171	132.1 Å²	132.1	91%	0.914	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-103.3	119.5	174.2	-135.6	35.9	0	0	0	108.9
412	A	33.5	Very low	34	Very low	86 Å²	86	133.6 Å²	133.6	71%	0.711	80%	0.796	S	S	*	*			trans	-119.2	121.5	-174	0	0	0	0	0	112.4
413	T	34.7	Very low	33.5	Very low	135 Å²	135	127.2 Å²	127.2	83%	0.828	79%	0.788	S	S	*	*			trans	31.2	118.4	146.5	56	0	0	0	0	120.4
414	G	28.7	Very low	33.1	Very low	71 Å²	71	125.8 Å²	125.8	73%	0.732	78%	0.783	S	S	*	*			trans	-74.3	-157.5	149	0	0	0	0	0	111.7
415	P	46	Very low	32.9	Very low	126 Å²	126	120.5 Å²	120.5	82%	0.818	78%	0.778	S	S	*	*			cis	-128	-149.2	15.3	44.3	-25.3	0	0	0	110.6
416	P	45.7	Very low	32.8	Very low	118 Å²	118	121.9 Å²	121.9	77%	0.766	78%	0.781	S	S	*	*			cis	-135	170.5	-7.9	40.2	-21.1	0	0	0	118.6
417	A	29.6	Very low	32.5	Very low	106 Å²	106	121 Å²	121	88%	0.876	79%	0.785	S	S	*	*			trans	-6	142.4	160.3	0	0	0	0	0	122.9
418	G	27.9	Very low	32.4	Very low	74 Å²	74	120.2 Å²	120.2	76%	0.763	78%	0.78	S	S	*	*			trans	163.8	126.9	150.9	0	0	0	0	0	117.2
419	A	30.4	Very low	32.3	Very low	105 Å²	105	121 Å²	121	87%	0.868	79%	0.785	S	S	*	*			trans	45.4	92.8	153.2	0	0	0	0	0	121.8
420	A	28.4	Very low	32	Very low	99 Å²	99	118.1 Å²	118.1	82%	0.818	78%	0.781	S	S	*	*			trans	2.2	166.5	135.8	0	0	0	0	0	124.6
421	I	30.2	Very low	31.9	Very low	153 Å²	153	117 Å²	117	79%	0.785	78%	0.778	S	S	*	*			trans	111.5	97.1	153.5	-54.8	-175.5	0	0	0	118.2
422	I	30	Very low	32.1	Very low	148 Å²	148	116.6 Å²	116.6	76%	0.759	78%	0.776	S	S	*	*			trans	47.1	111.4	134.9	-49.9	174.3	0	0	0	120.8
423	S	29.8	Very low	31.9	Very low	106 Å²	106	116.4 Å²	116.4	74%	0.741	78%	0.783	S	S	*	*				-173.2	131.9	118.8	33.4	0	0	0	0	107.9
424	S	29.6	Very low	31.7	Very low	101 Å²	101	115.9 Å²	115.9	71%	0.706	79%	0.785	S	S	*	*			cis	67.9	124.9	48.2	76	0	0	0	0	114.5
425	S	33.3	Very low	31.9	Very low	94 Å²	94	116.7 Å²	116.7	66%	0.657	78%	0.784	S	S	*	*			cis	-177.8	148.6	-11.2	44.6	0	0	0	0	110
426	N	30.5	Very low	31.3	Very low	152 Å²	152	117.6 Å²	117.6	81%	0.813	78%	0.782	S	S	*	*			trans	66.4	168	165.4	-58.6	-17.9	0	0	0	115.3
427	T	30.9	Very low	30.9	Very low	115 Å²	115	118.3 Å²	118.3	71%	0.706	79%	0.785	S	S	*	*			cis	-147.7	131.1	19.1	-6.6	0	0	0	0	114.1
428	T	29.8	Very low	31.8	Very low	109 Å²	109	119.5 Å²	119.5	67%	0.669	78%	0.783	S	S	*	*			trans	62.9	141.3	136.4	53.7	0	0	0	0	125
429	N	31.1	Very low	31.9	Very low	159 Å²	159	119.1 Å²	119.1	85%	0.85	78%	0.779	S	S	*	*			trans	71.7	148.6	154.5	-58.3	-10.7	0	0	0	118.4
430	G	28.7	Very low	31.9	Very low	69 Å²	69	120.1 Å²	120.1	71%	0.711	78%	0.775	S	S	*	*			cis	153.4	132	-11	0	0	0	0	0	114.6
431	N	31.2	Very low	32.1	Very low	159 Å²	159	121.6 Å²	121.6	85%	0.85	77%	0.773	S	S	*	*			trans	69.8	121.9	169.9	-76.3	-4.2	0	0	0	121.6
432	N	34.2	Very low	32	Very low	164 Å²	164	119.3 Å²	119.3	88%	0.877	77%	0.767	S	S	*	*			trans	26.4	127.4	134.8	-65.2	-7	0	0	0	122
433	G	29.1	Very low	32.2	Very low	82 Å²	82	120.3 Å²	120.3	85%	0.845	77%	0.773	S	S	*	*			trans	-163.6	153.8	156.2	0	0	0	0	0	110.5
434	S	31.2	Very low	33	Very low	124 Å²	124	121 Å²	121	87%	0.867	78%	0.775	S	S	*	*			trans	-130.7	169.3	-175.3	62.6	0	0	0	0	113.5
435	A	32.8	Very low	33.1	Very low	87 Å²	87	127.3 Å²	127.3	72%	0.719	78%	0.783	S	S	*	*			trans	110.7	114.3	160.5	0	0	0	0	0	119.9
436	N	33.3	Very low	33.2	Very low	145 Å²	145	127.9 Å²	127.9	78%	0.775	79%	0.787	S	S	*	*			trans	63.3	133.3	133.6	-67.4	-1.2	0	0	0	125.4
437	T	36.7	Very low	33.1	Very low	134 Å²	134	128.1 Å²	128.1	82%	0.822	79%	0.788	S	S	*	*			trans	69.2	159.6	147.3	46.8	0	0	0	0	118.3
438	P	48.6	Very low	33.2	Very low	130 Å²	130	127.7 Å²	127.7	84%	0.844	79%	0.79	S	S	*	*			cis	-118.1	-166	13.1	43.5	-29.3	0	0	0	113.5
439	G	30.4	Very low	33.4	Very low	66 Å²	66	129.7 Å²	129.7	68%	0.68	80%	0.795	S	S	*	*			cis	169.3	168.3	-8.7	0	0	0	0	0	113.8
440	V	30.9	Very low	34.1	Very low	127 Å²	127	128.2 Å²	128.2	77%	0.77	80%	0.795	S	S	*	*			trans	16.2	125.5	156.4	-167	0	0	0	0	118.9	T442	V440-T442 HydrophobicContact CG1-CG2 4.24Å
441	T	32.2	Very low	34.3	Very low	129 Å²	129	133.3 Å²	133.3	79%	0.791	80%	0.8	S	S	*	*				-148.3	171.4	69.8	51.2	0	0	0	0	113
442	T	28.7	Very low	34.1	Very low	105 Å²	105	131.7 Å²	131.7	64%	0.644	80%	0.801	S	S	*	*			cis	100.7	86.5	-1.8	75.6	0	0	0	0	122.1	V440	V440-T442 HydrophobicContact CG1-CG2 4.24Å
443	L	33.3	Very low	34	Very low	169 Å²	169	128.4 Å²	128.4	89%	0.885	80%	0.796	S	S	*	*			trans	68.3	169.3	140.7	-72.3	170.2	0	0	0	119.8
444	P	45.8	Very low	34	Very low	121 Å²	121	127.8 Å²	127.8	79%	0.786	79%	0.79	S	S	*	*			cis	-131.6	-178	8.9	43.1	-26.4	0	0	0	118.1
445	R	32.4	Very low	33.8	Very low	234 Å²	234	129.3 Å²	129.3	88%	0.883	79%	0.794	S	S	*	*			trans	-113.8	153.6	161.8	-75.1	176.6	163.6	129.4	-8.8	109.8
446	S	34.9	Very low	33.7	Very low	105 Å²	105	129.8 Å²	129.8	73%	0.734	80%	0.798	S	S	*	*			trans	162.6	142.4	130.3	48.7	0	0	0	0	114.5
447	N	29.7	Very low	33.5	Very low	158 Å²	158	130.8 Å²	130.8	85%	0.845	80%	0.804	S	S	*	*				166	162	121.6	-85.7	-11.1	0	0	0	112.7
448	S	33.2	Very low	33.2	Very low	105 Å²	105	128.7 Å²	128.7	73%	0.734	79%	0.794	S	S	*	*			trans	-157.5	132.4	-164.9	55.5	0	0	0	0	115.2
449	L	34	Very low	32.3	Very low	151 Å²	151	128.9 Å²	128.9	79%	0.791	79%	0.794	S	S	*	*			trans	60.7	156.2	159.2	-59.4	172.5	0	0	0	117.7
450	P	44.6	Very low	32.2	Very low	128 Å²	128	129.6 Å²	129.6	83%	0.831	79%	0.793	S	S	*	*				-142.4	178.3	87.4	37.5	-20.2	0	0	0	115.5
451	H	32.1	Very low	32.2	Very low	176 Å²	176	132.3 Å²	132.3	82%	0.815	79%	0.794	S	S	*	*			trans	-98.7	165	174.5	-80.2	-85.5	0	0	0	113.1
452	S	28	Very low	31.9	Very low	125 Å²	125	132.4 Å²	132.4	87%	0.874	80%	0.795	S	S	*	*			trans	-150.2	170	144.8	-165.4	0	0	0	0	110.4
453	A	31.8	Very low	32	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	80%	0.804	S	S	*	*			trans	-146.1	149.8	-163.7	0	0	0	0	0	115.7
454	G	29.5	Very low	31.8	Very low	70 Å²	70	127.7 Å²	127.7	72%	0.722	79%	0.789	S	S	*	*			trans	75.6	128.5	139.3	0	0	0	0	0	120.3
455	T	27.3	Very low	31	Very low	155 Å²	155	129.2 Å²	129.2	95%	0.951	80%	0.796	S	S	*	*			trans	-161.5	154	140.1	8	0	0	0	0	109.5
456	A	30.9	Very low	30.9	Very low	97 Å²	97	122 Å²	122	80%	0.802	79%	0.794	S	S	*	*			trans	-146.1	142	170.6	0	0	0	0	0	109
457	N	28.5	Very low	30.5	Very low	166 Å²	166	120.7 Å²	120.7	89%	0.888	80%	0.798	S	S	*	*			trans	-157.6	175.8	156.8	-136.1	-29	0	0	0	112.6
458	S	30.3	Very low	30.5	Very low	90 Å²	90	116.3 Å²	116.3	63%	0.629	79%	0.79	S	S	*	*			trans	-125.8	-161.3	-160.6	65.7	0	0	0	0	113.4
459	T	29	Very low	30.2	Very low	135 Å²	135	118.4 Å²	118.4	83%	0.828	80%	0.799	S	S	*	*			trans	89.7	148.6	175.1	73.4	0	0	0	0	117.7
460	A	30.1	Very low	30.1	Very low	80 Å²	80	115.3 Å²	115.3	66%	0.661	80%	0.803	S	S	*	*			cis	-169.5	156.4	-26.9	0	0	0	0	0	113.3
461	K	29.4	Very low	29.3	Very low	185 Å²	185	112.2 Å²	112.2	80%	0.804	79%	0.794	S	S	*	*			trans	68.8	136.2	144.5	-82	176.9	176.5	-179.8	0	122.7
462	T	26.2	Very low	29.3	Very low	130 Å²	130	111.4 Å²	111.4	80%	0.798	80%	0.802	S	S	*	*			trans	65.2	147.4	143.4	50.2	0	0	0	0	119.3
463	S	30.1	Very low	29.3	Very low	120 Å²	120	109 Å²	109	84%	0.839	80%	0.797	S	S	*	*			cis	-159.9	166.1	-4.5	38.8	0	0	0	0	107.1
464	G	29.7	Very low	29.2	Very low	55 Å²	55	108.5 Å²	108.5	57%	0.567	80%	0.801	S	S	*	*			cis	145.5	151.4	10.3	0	0	0	0	0	108.3
465	T	30.1	Very low	29.1	Very low	154 Å²	154	108.5 Å²	108.5	95%	0.945	80%	0.801	S	S	*	*			trans	59.9	136.8	-174.5	57.3	0	0	0	0	114.7
466	G	28.8	Very low	29.4	Very low	81 Å²	81	108.8 Å²	108.8	84%	0.835	80%	0.795	S	S	*	*			cis	108.4	144.2	43.9	0	0	0	0	0	107.6
467	G	27.4	Very low	29.4	Very low	79 Å²	79	111.9 Å²	111.9	81%	0.814	80%	0.795	S	S	*	*			cis	163	152	0.9	0	0	0	0	0	108.9
468	G	29.5	Very low	29.4	Very low	66 Å²	66	111.4 Å²	111.4	68%	0.68	79%	0.792	S	S	*	*			trans	97.2	141	-178.4	0	0	0	0	0	113.8
469	T	28.1	Very low	29.3	Very low	149 Å²	149	112.4 Å²	112.4	91%	0.914	80%	0.799	S	S	*	*			cis	111.4	129.4	14.1	57.4	0	0	0	0	113
470	G	30.3	Very low	29.3	Very low	85 Å²	85	109.9 Å²	109.9	88%	0.876	79%	0.792	S	S	*	*			trans	99.8	129.3	173.9	0	0	0	0	0	113.3
471	G	29.5	Very low	29.2	Very low	63 Å²	63	113.9 Å²	113.9	65%	0.649	80%	0.801	S	S	*	*			cis	134.2	132	-11.6	0	0	0	0	0	113.2
472	T	30.5	Very low	29.1	Very low	159 Å²	159	108.7 Å²	108.7	98%	0.975	79%	0.792	S	S	*	*			trans	62.6	154.6	-179	70	0	0	0	0	115
473	G	27.8	Very low	29.2	Very low	74 Å²	74	109.3 Å²	109.3	76%	0.763	80%	0.796	S	S	*	*			cis	165.3	162.3	-7.4	0	0	0	0	0	111.3
474	G	29.9	Very low	29.2	Very low	86 Å²	86	107.5 Å²	107.5	89%	0.887	80%	0.796	S	S	*	*			trans	98.4	119.2	177.6	0	0	0	0	0	113.8
475	G	28.4	Very low	29.1	Very low	69 Å²	69	111.3 Å²	111.3	71%	0.711	81%	0.808	S	S	*	*			trans	-111.8	-173.5	166.9	0	0	0	0	0	110.7
476	I	32.5	Very low	29.1	Very low	161 Å²	161	108.8 Å²	108.8	83%	0.826	80%	0.797	S	S	*	*			trans	-178.6	129.4	148.5	-98.3	153.7	0	0	0	109.9
477	M	31.9	Very low	29.1	Very low	162 Å²	162	114.2 Å²	114.2	80%	0.798	80%	0.798	S	S	*	*			trans	48.6	125.3	152.3	-65.3	165.9	174.4	0	0	123.7
478	D	27.6	Very low	29.2	Very low	156 Å²	156	119.9 Å²	119.9	83%	0.834	80%	0.8	S	S	*	*				90.4	148.6	127.9	-80.7	-26.6	0	0	0	125.2
479	S	29	Very low	29.2	Very low	111 Å²	111	121.2 Å²	121.2	78%	0.776	81%	0.805	S	S	*	*			trans	75.2	84.8	159.2	-139.2	0	0	0	0	120.7
480	A	28.5	Very low	29.3	Very low	82 Å²	82	120.2 Å²	120.2	68%	0.678	80%	0.798	S	S	*	*				65.6	140.8	113.3	0	0	0	0	0	123.3
481	I	28.3	Very low	29.2	Very low	164 Å²	164	125 Å²	125	84%	0.841	80%	0.803	S	S	*	*			trans	86.9	129.6	150.4	-68.5	158.8	0	0	0	120
482	A	27.7	Very low	29.2	Very low	76 Å²	76	126.1 Å²	126.1	63%	0.628	80%	0.801	S	S	*	*			trans	75.8	120.1	152.8	0	0	0	0	0	123
483	T	28.2	Very low	29.3	Very low	144 Å²	144	127.2 Å²	127.2	88%	0.883	80%	0.8	S	S	*	*			trans	52.4	121.8	134.8	61.3	0	0	0	0	121.2
484	G	29.2	Very low	29.3	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	80%	0.801	S	S	*	*			trans	-168.6	77.7	174.1	0	0	0	0	0	115.5
485	V	29.1	Very low	29.2	Very low	136 Å²	136	135.5 Å²	135.5	82%	0.824	80%	0.8	S	S	*	*			trans	-49.3	130.3	-179.1	173.2	0	0	0	0	115.7
486	S	28.6	Very low	29.2	Very low	101 Å²	101	142.5 Å²	142.5	71%	0.706	81%	0.805	S	S	*	*			trans	61.4	126.5	154.2	-62.5	0	0	0	0	121.5
487	K	29.7	Very low	29	Very low	195 Å²	195	144.7 Å²	144.7	85%	0.848	81%	0.809	S	S	*	*				-176.1	164.2	104.1	-96.7	167.6	-172.2	175.6	0	113.9
488	F	29.9	Very low	28.8	Very low	197 Å²	197	145 Å²	145	86%	0.864	81%	0.809	S	S	*	*			trans	-22.1	135.7	171.9	-65.4	-101.8	0	0	0	119.8
489	A	29.6	Very low	29	Very low	94 Å²	94	149.3 Å²	149.3	78%	0.777	81%	0.813	S	S	*	*			trans	-142.1	112.4	140.2	0	0	0	0	0	107.1
490	T	29.4	Very low	29	Very low	128 Å²	128	151 Å²	151	79%	0.785	81%	0.809	S	S	*	*				64.3	108.7	81.9	-46.3	0	0	0	0	112.7	S492	T490-S492 PolarHBondContact O-N 3.33Å
491	L	28.8	Very low	29.2	Very low	185 Å²	185	156.4 Å²	156.4	97%	0.969	82%	0.819	S	S	*	*			trans	-66.6	123.6	175.1	-72.1	163.1	0	0	0	110.7
492	S	28.8	Very low	29.1	Very low	87 Å²	87	154 Å²	154	61%	0.608	81%	0.808	S	S	*	*			trans	-125.5	112.5	167.2	55.7	0	0	0	0	110.4	T490 H494	T490-S492 PolarHBondContact O-N 3.33Å; S492-H494 PolarHBondContact O-N 2.86Å; S492-H494 PolarHBondContact O-ND1 3.4Å; S492-H494 VanDerWaalsContact O-ND1 3.16Å
493	L	31.9	Very low	29.5	Very low	183 Å²	183	160.3 Å²	160.3	96%	0.958	82%	0.821	S	S	*	*			trans	-56.7	122.4	176	-70.9	159.9	0	0	0	109.7
494	H	27.6	Very low	29.5	Very low	169 Å²	169	160.4 Å²	160.4	78%	0.782	82%	0.816	S	S	*	*			trans	-110.1	119.5	169.2	-83.1	70.2	0	0	0	109.1	S492	S492-H494 PolarHBondContact O-N 2.86Å; S492-H494 PolarHBondContact O-ND1 3.4Å; S492-H494 VanDerWaalsContact O-ND1 3.16Å
495	D	28.4	Very low	29.9	Very low	164 Å²	164	165.3 Å²	165.3	88%	0.877	82%	0.817	S	S	*	*			trans	-80.7	155	-166.6	-152.7	-14.3	0	0	0	112.9	K497	D495-K497 PolarHBondContact O-N 2.93Å
496	R	29.3	Very low	30.1	Very low	216 Å²	216	168.4 Å²	168.4	82%	0.815	82%	0.82	S	S	*	*			trans	-86.2	107.5	179.9	-84.5	-176.5	166.8	-166.7	-3.4	111.2	E498	R496-E498 PolarHBondContact O-N 3.11Å
497	K	27	Very low	30.3	Very low	208 Å²	208	174.4 Å²	174.4	90%	0.904	83%	0.827	S	S	*	*			trans	-80.1	78.6	170.7	-168.9	176.4	-178.4	173.7	0	112.4	D495	D495-K497 PolarHBondContact O-N 2.93Å
498	E	28.9	Very low	30.3	Very low	169 Å²	169	173 Å²	173	79%	0.79	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-94.2	168.8	157.2	-71.6	-166.6	123.3	0	0	111.2	R496	R496-E498 PolarHBondContact O-N 3.11Å
499	R	30.4	Very low	30.5	Very low	245 Å²	245	172.3 Å²	172.3	93%	0.925	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-103.4	152.2	-156.8	-55.9	-177.5	-166.7	-176.7	5	113.1
500	H	29.1	Very low	30.6	Very low	147 Å²	147	173.7 Å²	173.7	68%	0.681	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-50.9	145.2	174	-91.9	-119.3	0	0	0	113.7	D502	H500-D502 IonicContact CE1-OD1 3.27Å; H500-D502 PolarHBondContact CE1-OD1 2.92Å; H500-D502 IonicContact CE1-OD2 3.35Å; H500-D502 IonicContact CG-OD2 2.72Å; H500-D502 VanDerWaalsContact ND1-CG 3.27Å; H500-D502 IonicContact ND1-OD1 2.74Å; H500-D502 PolarHBondContact ND1-OD1 2.83Å; H500-D502 IonicContact ND1-OD2 3.06Å; H500-D502 PolarHBondContact ND1-OD2 2.81Å
501	H	32.9	Very low	31.1	Very low	196 Å²	196	176.6 Å²	176.6	91%	0.907	84%	0.839	S	S	*	*			trans	-143	108.1	136.2	-115.1	-65.2	0	0	0	109.3
502	D	27.5	Very low	31.2	Very low	112 Å²	112	171.5 Å²	171.5	60%	0.599	83%	0.831	S	S	*	*			trans	-76.6	143.4	-174.7	-57.7	-89.7	0	0	0	113.3	H500	H500-D502 IonicContact CE1-OD1 3.27Å; H500-D502 PolarHBondContact CE1-OD1 2.92Å; H500-D502 IonicContact CE1-OD2 3.35Å; H500-D502 IonicContact CG-OD2 2.72Å; H500-D502 VanDerWaalsContact ND1-CG 3.27Å; H500-D502 IonicContact ND1-OD1 2.74Å; H500-D502 PolarHBondContact ND1-OD1 2.83Å; H500-D502 IonicContact ND1-OD2 3.06Å; H500-D502 PolarHBondContact ND1-OD2 2.81Å
503	K	35.1	Very low	31.2	Very low	209 Å²	209	176 Å²	176	91%	0.909	84%	0.842	S	S	*	*			trans	-168.3	94.3	146.8	-108	161.8	-173.6	177.8	0	110.5
504	D	28.7	Very low	31.5	Very low	146 Å²	146	174.5 Å²	174.5	78%	0.781	83%	0.833	S	S	*	*			trans	-55.3	150.1	162.6	-84.5	-59.7	0	0	0	111.5
505	H	37.5	Very low	31.6	Very low	185 Å²	185	172.4 Å²	172.4	86%	0.856	84%	0.838	S	S	*	*			trans	-162.4	103.4	134.1	-95.4	9.2	0	0	0	112.4
506	K	33.1	Very low	31.7	Very low	200 Å²	200	169.4 Å²	169.4	87%	0.87	83%	0.829	S	S	*	*			trans	39.2	126.9	148.9	-66	179.8	177.8	176.3	0	121
507	R	32.9	Very low	31.6	Very low	227 Å²	227	168.6 Å²	168.6	86%	0.857	83%	0.832	S	S	*	*			trans	-53.4	151.6	158.6	-64.3	173.2	173.7	163.3	-3.7	112.4
508	N	29.8	Very low	31.7	Very low	167 Å²	167	163.8 Å²	163.8	89%	0.893	82%	0.824	S	S	*	*			trans	-153.9	151.1	136.5	-112.1	-6.9	0	0	0	110.8
509	H	34.2	Very low	31.7	Very low	182 Å²	182	160 Å²	160	84%	0.843	82%	0.816	S	S	*	*			trans	-97	148.7	172.8	-66.6	-101.9	0	0	0	110.3
510	S	32.3	Very low	31.8	Very low	122 Å²	122	155.4 Å²	155.4	85%	0.853	81%	0.81	S	S	*	*			trans	-157.4	147.9	148.4	-163.8	0	0	0	0	110.6
511	M	38.4	Very low	31.8	Very low	190 Å²	190	157.9 Å²	157.9	94%	0.936	82%	0.819	S	S	*	*			trans	-94.2	134.8	166	-68.2	-125.7	-66.3	0	0	109
512	G	30.9	Very low	31.7	Very low	78 Å²	78	155.5 Å²	155.5	80%	0.804	81%	0.812	S	S	*	*			trans	-125.9	139.5	-178.8	0	0	0	0	0	111.4
513	H	29.8	Very low	32.1	Very low	182 Å²	182	156.8 Å²	156.8	84%	0.843	82%	0.819	S	S	*	*			trans	-86.6	162.5	-169.4	-143.8	-107.8	0	0	0	113.6
514	I	37.9	Very low	31.9	Very low	150 Å²	150	154.9 Å²	154.9	77%	0.769	82%	0.818	S	S	*	*			trans	-60.5	141.5	175.2	46.6	164	0	0	0	114.1
515	S	28.9	Very low	32	Very low	126 Å²	126	156.6 Å²	156.6	88%	0.881	83%	0.826	S	S	*	*			trans	-155	172.4	148.4	83	0	0	0	0	109.9
516	S	30.2	Very low	31.8	Very low	100 Å²	100	152.2 Å²	152.2	70%	0.699	82%	0.816	S	S	*	*			trans	-137.7	140.4	-168.5	59.4	0	0	0	0	113.8
517	K	28.5	Very low	32.1	Very low	200 Å²	200	150.1 Å²	150.1	87%	0.87	81%	0.807	S	S	*	*				158.6	146.9	125.8	-87.7	172.8	179.8	-178	0	114.5
518	S	29.1	Very low	32.4	Very low	107 Å²	107	144.4 Å²	144.4	75%	0.748	80%	0.802	S	S	*	*			trans	84.7	136.3	145.3	-157.7	0	0	0	0	122.3
519	S	29.4	Very low	33.3	Very low	88 Å²	88	145.5 Å²	145.5	62%	0.615	80%	0.799	S	S	*	*			trans	63.9	98.2	146.2	46.5	0	0	0	0	121
520	D	30.6	Very low	34.4	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	78%	0.783	S	S	*	*				59.6	100.5	123	-48.1	-40.3	0	0	0	121.2
521	K	30.2	Very low	35.6	Very low	199 Å²	199	138.1 Å²	138.1	87%	0.865	76%	0.759	S	S	*	*				-163.5	129.2	117.3	-109.3	157	-173.8	170.3	0	115.2
522	L	31.7	Very low	36.4	Very low	146 Å²	146	133.3 Å²	133.3	76%	0.764	74%	0.742	S	S	*	*			trans	11.6	138.8	147	-76	156.3	0	0	0	121
523	N	34.8	Very low	37.8	Very low	140 Å²	140	133.6 Å²	133.6	75%	0.749	74%	0.737	S	S	*	*			trans	66.1	68.1	147	-63.1	-8.4	0	0	0	118.6
524	L	30.5	Very low	39.8	Very low	168 Å²	168	132.3 Å²	132.3	88%	0.88	73%	0.729	S	S	*	*			trans	-149.2	69.3	142.9	-133.6	121.1	0	0	0	112.4	S526	L524-S526 PolarHBondContact O-N 2.88Å
525	L	31.3	Very low	41.8	Very low	183 Å²	183	125.8 Å²	125.8	96%	0.958	70%	0.696	S	S	*	*			trans	-67.7	97.2	163.9	-84.6	168	0	0	0	108.5
526	S	32.3	Very low	44.5	Very low	92 Å²	92	123.4 Å²	123.4	64%	0.643	67%	0.673	S	S	*	*			trans	-59.8	140.4	168.6	50.1	0	0	0	0	109.5	L524 S528	L524-S526 PolarHBondContact O-N 2.88Å; S526-S528 PolarHBondContact O-N 3.39Å
527	K	40.2	Very low	47	Very low	156 Å²	156	120.3 Å²	120.3	68%	0.678	66%	0.657	S	S	*	*			trans	-60.8	99.1	170.2	-85	-162.4	167.9	-155.6	0	108.9	D225 K529	D225-K527 IonicContact OD1-NZ 2.69Å; D225-K527 PolarHBondContact OD1-NZ 3.34Å; D225-K527 IonicContact OD2-NZ 2.67Å; D225-K527 PolarHBondContact OD2-NZ 3.12Å; K527-K529 VanDerWaalsContact C-N 3.31Å; K527-K529 PolarHBondContact O-N 2.84Å
528	S	38.7	Very low	50	Low	107 Å²	107	113.3 Å²	113.3	75%	0.748	63%	0.631	S	S	*	*			trans	-69.1	92.2	167.6	55.7	0	0	0	0	108.2	S526 T530	S526-S528 PolarHBondContact O-N 3.39Å; S528-T530 PolarHBondContact O-N 3.35Å; S528-T530 VanDerWaalsContact O-N 3.11Å
529	K	49	Very low	52.7	Low	191 Å²	191	115.3 Å²	115.3	83%	0.83	63%	0.632	S	S	*	*			trans	-49.6	121.5	161.1	-82	-173.5	170.4	-173.7	0	107.2	K527 D531	K527-K529 VanDerWaalsContact C-N 3.31Å; K527-K529 PolarHBondContact O-N 2.84Å; K529-D531 PolarHBondContact O-N 2.79Å
530	T	57.4	Low	55.5	Low	83 Å²	83	114.3 Å²	114.3	51%	0.509	62%	0.62	S	S	.	*			trans	-61.3	107.7	173.7	-14.3	0	0	0	0	107.2	F248 S528 P532 T535	F248-T530 HydrophobicContact CZ-CG2 4.37Å; S528-T530 PolarHBondContact O-N 3.35Å; S528-T530 VanDerWaalsContact O-N 3.11Å; T530-P532 WeakPolarHBondContact O-CD 3.39Å; T530-T535 HydrophobicContact CG2-CG2 4Å
531	D	58.2	Low	58.5	Low	65 Å²	65	107.3 Å²	107.3	35%	0.348	58%	0.582	S	S	.	*			trans	-64.6	117	-176.1	179.1	-6.1	0	0	0	108.7	K529 A533 K534 T535	K529-D531 PolarHBondContact O-N 2.79Å; D531-A533 PolarHBondContact O-N 3.44Å; D531-A533 VanDerWaalsContact O-N 3.15Å; D531-A533 WeakPolarHBondContact OD1-CB 3.32Å; D531-A533 PolarHBondContact OD1-N 3.04Å; D531-A533 VanDerWaalsContact OD1-N 3.15Å; D531-K534 HydrophobicContact CB-CB 4.3Å; D531-K534 HydrophobicContact CB-CD 3.87Å; D531-K534 HydrophobicContact CB-CG 3.95Å; D531-K534 WeakPolarHBondContact O-CA 3.48Å; D531-K534 WeakPolarHBondContact O-CB 3.29Å; D531-K534 PolarHBondContact O-N 2.85Å; D531-K534 WeakPolarHBondContact OD2-CE 3.33Å; D531-K534 IonicContact OD2-NZ 2.84Å; D531-K534 PolarHBondContact OD2-NZ 2.64Å; D531-T535 PolarHBondContact O-N 2.85Å
532	P	55.7	Low	61.6	Low	89 Å²	89	98.5 Å²	98.5	58%	0.578	55%	0.546	S	S	*	.	H	α-helix	trans	-62.1	-25.9	-174.3	24.6	-33.8	0	0	0	112.3	T530 K534 T535 L536	T530-P532 WeakPolarHBondContact O-CD 3.39Å; P532-K534 PolarHBondContact O-N 2.89Å; P532-T535 PolarHBondContact O-N 2.91Å; P532-T535 PolarHBondContact O-OG1 2.74Å; P532-T535 VanDerWaalsContact O-OG1 3.1Å; P532-L536 PolarHBondContact O-N 3.05Å
533	A	59.7	Low	64.5	Low	84 Å²	84	97.4 Å²	97.4	69%	0.694	53%	0.531	S	S	*	.	H	α-helix	trans	-69.6	-14.6	174.2	0	0	0	0	0	113.4	D531	D531-A533 PolarHBondContact O-N 3.44Å; D531-A533 VanDerWaalsContact O-N 3.15Å; D531-A533 WeakPolarHBondContact OD1-CB 3.32Å; D531-A533 PolarHBondContact OD1-N 3.04Å; D531-A533 VanDerWaalsContact OD1-N 3.15Å
534	K	71.2	Confident	67.3	Low	156 Å²	156	93.7 Å²	93.7	68%	0.678	51%	0.51	S	S	*	.	H	α-helix	trans	-99.8	-14	176.9	-60.8	-179.2	-171.8	155.6	0	113.7	D531 P532 T538	D531-K534 HydrophobicContact CB-CB 4.3Å; D531-K534 HydrophobicContact CB-CD 3.87Å; D531-K534 HydrophobicContact CB-CG 3.95Å; D531-K534 WeakPolarHBondContact O-CA 3.48Å; D531-K534 WeakPolarHBondContact O-CB 3.29Å; D531-K534 PolarHBondContact O-N 2.85Å; D531-K534 WeakPolarHBondContact OD2-CE 3.33Å; D531-K534 IonicContact OD2-NZ 2.84Å; D531-K534 PolarHBondContact OD2-NZ 2.64Å; P532-K534 PolarHBondContact O-N 2.89Å; K534-T538 WeakPolarHBondContact O-CG2 3.14Å
535	T	79.6	Confident	70.2	Confident	13 Å²	13	92.5 Å²	92.5	8%	0.08	50%	0.5	C	S	.	.	H	α-helix	trans	-92.9	-27.5	177.7	50.4	0	0	0	0	113.4	T530 D531 P532 T538 C541	T530-T535 HydrophobicContact CG2-CG2 4Å; D531-T535 PolarHBondContact O-N 2.85Å; P532-T535 PolarHBondContact O-N 2.91Å; P532-T535 PolarHBondContact O-OG1 2.74Å; P532-T535 VanDerWaalsContact O-OG1 3.1Å; T535-T538 WeakPolarHBondContact O-CB 3.47Å; T535-T538 WeakPolarHBondContact O-CG2 3.43Å; T535-T538 PolarHBondContact O-N 2.94Å; T535-T538 PolarHBondContact O-OG1 3.46Å; T535-C541 WeakPolarHBondContact O-CB 3.44Å
536	L	86.8	Confident	73.1	Confident	75 Å²	75	88.1 Å²	88.1	39%	0.393	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	131.2	-179.5	179.4	61.6	0	0	0	111.7	Y266 P532 C541	Y266-L536 HydrophobicContact CD2-CD1 3.93Å; Y266-L536 HydrophobicContact CE2-CD1 3.45Å; Y266-L536 VanDerWaalsContact CE2-CD1 3.45Å; P532-L536 PolarHBondContact O-N 3.05Å; L536-C541 CarbonylContact C-O 3.57Å
537	G	83.1	Confident	76.1	Confident	36 Å²	36	84.6 Å²	84.6	37%	0.371	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	20.4	-173.4	0	0	0	0	0	113.8	C541	G537-C541 PolarHBondContact N-O 2.72Å
538	T	89.8	Confident	78.7	Confident	53 Å²	53	79.9 Å²	79.9	33%	0.325	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-107.3	167.6	168.5	71.8	0	0	0	0	110	K534 T535 L540 C541 P542	K534-T538 WeakPolarHBondContact O-CG2 3.14Å; T535-T538 WeakPolarHBondContact O-CB 3.47Å; T535-T538 WeakPolarHBondContact O-CG2 3.43Å; T535-T538 PolarHBondContact O-N 2.94Å; T535-T538 PolarHBondContact O-OG1 3.46Å; T538-L540 PolarHBondContact O-N 3.12Å; T538-L540 VanDerWaalsContact O-N 3.11Å; T538-L540 PolarHBondContact OG1-N 2.62Å; T538-C541 PolarHBondContact N-O 2.92Å; T538-C541 CarbonylContact O-C 3.57Å; T538-C541 PolarHBondContact O-N 3.48Å; T538-P542 WeakPolarHBondContact O-CA 3.11Å; T538-P542 WeakPolarHBondContact O-CD 3.44Å
539	L	85.9	Confident	81.4	Confident	148 Å²	148	79.4 Å²	79.4	78%	0.775	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.5	175.2	-61.9	176.4	0	0	0	113.4
540	L	88.7	Confident	83.7	Confident	67 Å²	67	70.9 Å²	70.9	35%	0.351	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-26.9	176.3	-59.9	178.6	0	0	0	112.9	T262 K264 T538	T262-L540 WeakPolarHBondContact OG1-CD2 3.31Å; K264-L540 PolarHBondContact N-O 2.81Å; T538-L540 PolarHBondContact O-N 3.12Å; T538-L540 VanDerWaalsContact O-N 3.11Å; T538-L540 PolarHBondContact OG1-N 2.62Å
541	C	94.4	Very high	85.5	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.014	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-152.3	82.1	175.7	-168.2	0	0	0	0	110	K264 S265 T535 L536 G537 T538	K264-C541 HydrophobicContact CB-CB 4.14Å; K264-C541 HydrophobicContact CG-CB 4.45Å; K264-C541 WeakPolarHBondContact O-CB 3.46Å; K264-C541 PolarHBondContact O-SG 3.12Å; S265-C541 PolarHBondContact O-SG 3.34Å; T535-C541 WeakPolarHBondContact O-CB 3.44Å; L536-C541 CarbonylContact C-O 3.57Å; G537-C541 PolarHBondContact N-O 2.72Å; T538-C541 PolarHBondContact N-O 2.92Å; T538-C541 CarbonylContact O-C 3.57Å; T538-C541 PolarHBondContact O-N 3.48Å
542	P	94.3	Very high	87.3	Confident	14 Å²	14	73.5 Å²	73.5	9%	0.091	40%	0.396	C	S	.	.			trans	-61.8	157.5	176.7	-23.8	35.4	0	0	0	110.8	V301 R304 T538 D546 V547	V301-P542 HydrophobicContact CB-CG 4.2Å; V301-P542 HydrophobicContact CG2-CG 4.48Å; R304-P542 VanDerWaalsContact CZ-O 3.27Å; R304-P542 PolarHBondContact NH1-O 3.11Å; R304-P542 PolarHBondContact NH2-O 3.27Å; T538-P542 WeakPolarHBondContact O-CA 3.11Å; T538-P542 WeakPolarHBondContact O-CD 3.44Å; P542-D546 HydrophobicContact CB-CB 3.76Å; P542-V547 HydrophobicContact CB-CG1 3.86Å; P542-V547 HydrophobicContact CG-CG1 4.13Å
543	R	93.7	Very high	89.2	Confident	123 Å²	123	73.1 Å²	73.1	46%	0.464	39%	0.389	S	S	.	.			trans	-64.8	173.8	173.3	-56.8	176.9	-178.1	-177.6	3.2	110.8	R304 E545 D546	R304-R543 PolarHBondContact NH1-O 3.26Å; R543-E545 VanDerWaalsContact C-N 3.27Å; R543-E545 HydrophobicContact CB-CG 3.75Å; R543-E545 WeakPolarHBondContact CD-OE1 3.41Å; R543-E545 IonicContact CZ-OE1 3.56Å; R543-E545 IonicContact NE-OE1 2.78Å; R543-E545 IonicContact NH1-OE1 3.28Å; R543-E545 PolarHBondContact NH1-OE1 2.92Å; R543-D546 HydrophobicContact CB-CB 4.43Å; R543-D546 VanDerWaalsContact CB-OD2 3.23Å; R543-D546 WeakPolarHBondContact CB-OD2 3.34Å; R543-D546 VanDerWaalsContact CG-OD2 3.29Å; R543-D546 WeakPolarHBondContact CG-OD2 3.29Å; R543-D546 PolarHBondContact N-OD2 2.85Å; R543-D546 PolarHBondContact O-N 3.36Å
544	M	92.7	Very high	91	Very high	62 Å²	62	69.6 Å²	69.6	31%	0.305	36%	0.359	S	S	.	.	S	Bend	trans	-72.4	-24.8	173.5	-151.2	64.7	71.4	0	0	112.6	Y266 L290 R304 L549	Y266-M544 HydrophobicContact CD2-CE 4.02Å; Y266-M544 HydrophobicContact CE2-CE 4.21Å; Y266-M544 HydrophobicContact CG-CE 4.22Å; L290-M544 HydrophobicContact CD1-CE 3.64Å; R304-M544 HydrophobicContact CB-SD 4.34Å; M544-L549 HydrophobicContact CG-CD1 4.33Å; M544-L549 HydrophobicContact SD-CD1 3.85Å
545	E	92.4	Very high	92.3	Very high	144 Å²	144	63.8 Å²	63.8	67%	0.673	34%	0.337	S	S	*	.	S	Bend	trans	-79.8	-15	175.2	60.1	-165.6	-169	0	0	113.6	R543	R543-E545 VanDerWaalsContact C-N 3.27Å; R543-E545 HydrophobicContact CB-CG 3.75Å; R543-E545 WeakPolarHBondContact CD-OE1 3.41Å; R543-E545 IonicContact CZ-OE1 3.56Å; R543-E545 IonicContact NE-OE1 2.78Å; R543-E545 IonicContact NH1-OE1 3.28Å; R543-E545 PolarHBondContact NH1-OE1 2.92Å
546	D	92.1	Very high	93.2	Very high	90 Å²	90	67.1 Å²	67.1	48%	0.481	35%	0.351	S	S	.	.	S	Bend	trans	-89.8	-14	-176.2	-61.7	-28.1	0	0	0	113.5	P542 R543	P542-D546 HydrophobicContact CB-CB 3.76Å; R543-D546 HydrophobicContact CB-CB 4.43Å; R543-D546 VanDerWaalsContact CB-OD2 3.23Å; R543-D546 WeakPolarHBondContact CB-OD2 3.34Å; R543-D546 VanDerWaalsContact CG-OD2 3.29Å; R543-D546 WeakPolarHBondContact CG-OD2 3.29Å; R543-D546 PolarHBondContact N-OD2 2.85Å; R543-D546 PolarHBondContact O-N 3.36Å
547	V	93.6	Very high	93.7	Very high	19 Å²	19	65.1 Å²	65.1	12%	0.115	34%	0.339	C	S	.	.	S	Bend	trans	-137.2	146.8	-174.4	-65	0	0	0	0	112.1	V301 R304 P542 L549	V301-V547 HydrophobicContact CB-CG1 4.48Å; V301-V547 HydrophobicContact CG1-CG1 4.14Å; V301-V547 HydrophobicContact CG1-CG2 4.38Å; R304-V547 HydrophobicContact CG-CG2 4.26Å; P542-V547 HydrophobicContact CB-CG1 3.86Å; P542-V547 HydrophobicContact CG-CG1 4.13Å; V547-L549 PolarHBondContact O-N 3.47Å
548	P	95.3	Very high	94.4	Very high	56 Å²	56	64 Å²	64	36%	0.364	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-48.9	132.6	172	-29.7	34	0	0	0	113.9	I302 A303 R304	I302-P548 WeakPolarHBondContact O-CD 3.46Å; A303-P548 WeakPolarHBondContact CA-O 3.18Å; A303-P548 HydrophobicContact CB-CB 4.33Å; R304-P548 PolarHBondContact N-O 2.67Å
549	L	95.9	Very high	94.7	Very high	98 Å²	98	61.9 Å²	61.9	51%	0.513	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.4	170.1	-165.5	75.8	0	0	0	109.6	R304 H306 M544 V547	R304-L549 HydrophobicContact CB-CD1 4.43Å; R304-L549 CarbonylContact O-C 3.52Å; R304-L549 VanDerWaalsContact O-CA 3.27Å; R304-L549 WeakPolarHBondContact O-CA 3.38Å; H306-L549 HydrophobicContact CB-CD1 4.12Å; H306-L549 HydrophobicContact CB-CD2 4.49Å; M544-L549 HydrophobicContact CG-CD1 4.33Å; M544-L549 HydrophobicContact SD-CD1 3.85Å; V547-L549 PolarHBondContact O-N 3.47Å
550	L	96.9	Very high	95.1	Very high	11 Å²	11	61.6 Å²	61.6	6%	0.058	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.5	176.5	-47.7	175.2	0	0	0	110.1	V293 A303 R304 G305 H306 F375 W387 L389 I393	V293-L550 HydrophobicContact CG2-CD1 4Å; A303-L550 HydrophobicContact CB-CD1 4.04Å; A303-L550 HydrophobicContact CB-CD2 3.89Å; A303-L550 HydrophobicContact CB-CG 3.91Å; R304-L550 PolarHBondContact O-N 2.81Å; G305-L550 WeakPolarHBondContact CA-O 3.32Å; H306-L550 PolarHBondContact N-O 2.81Å; F375-L550 HydrophobicContact CE1-CD1 4.27Å; F375-L550 HydrophobicContact CZ-CD1 4.14Å; W387-L550 HydrophobicContact CE3-CB 3.97Å; W387-L550 HydrophobicContact CZ3-CB 4.27Å; L389-L550 HydrophobicContact CD2-CD1 3.77Å; L389-L550 HydrophobicContact CD2-CD2 4.2Å; I393-L550 HydrophobicContact CD1-CD2 3.65Å; I393-L550 HydrophobicContact CG1-CD2 4.22Å; I393-L550 HydrophobicContact CG2-CD2 4.01Å
551	E	95.2	Very high	95.5	Very high	173 Å²	173	61.7 Å²	61.7	81%	0.808	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-97.1	143.2	164.1	-62.1	-169.9	160.8	0	0	110
552	P	96.9	Very high	95.5	Very high	30 Å²	30	65 Å²	65	20%	0.195	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-77.9	126.8	179	30.6	-33.5	0	0	0	111.3	H306 C385 L386 W387 I554 C555	H306-P552 WeakPolarHBondContact O-CD 3.45Å; C385-P552 HydrophobicContact CB-CB 4.05Å; L386-P552 CarbonylContact O-C 3.6Å; L386-P552 WeakPolarHBondContact O-CA 3.47Å; W387-P552 HydrophobicContact CD2-CB 4.21Å; W387-P552 HydrophobicContact CE3-CB 3.9Å; W387-P552 HydrophobicContact CH2-CB 3.92Å; W387-P552 HydrophobicContact CH2-CG 4.19Å; W387-P552 HydrophobicContact CZ2-CB 4.23Å; W387-P552 HydrophobicContact CZ3-CB 3.74Å; W387-P552 HydrophobicContact CZ3-CG 4.11Å; P552-I554 PolarHBondContact O-N 2.87Å; P552-C555 HydrophobicContact CB-CB 4.34Å; P552-C555 HydrophobicContact CG-CB 3.91Å
553	L	95.8	Very high	95.7	Very high	82 Å²	82	64.4 Å²	64.4	43%	0.429	31%	0.313	S	S	.	.	S	Bend	trans	-51.1	-42.1	176.7	-53.7	168.9	0	0	0	111.9	L386 D388	L386-L553 HydrophobicContact CB-CD1 4.36Å; L386-L553 WeakPolarHBondContact O-CB 3.5Å; L386-L553 PolarHBondContact O-N 3.12Å; D388-L553 HydrophobicContact CB-CD1 4.11Å; D388-L553 HydrophobicContact CB-CD2 4.22Å; D388-L553 VanDerWaalsContact CG-CD1 3.41Å; D388-L553 WeakPolarHBondContact OD1-CD1 3.45Å
554	I	97.4	Very high	96	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.046	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.1	166.7	65.3	100.3	0	0	0	107.5	F22 T23 T24 L384 C385 L386 P552 K556	F22-I554 HydrophobicContact CD1-CD1 4.34Å; F22-I554 HydrophobicContact CD2-CD1 3.98Å; F22-I554 HydrophobicContact CD2-CG1 3.93Å; F22-I554 HydrophobicContact CD2-CG2 4.32Å; F22-I554 HydrophobicContact CE2-CD1 4.18Å; F22-I554 HydrophobicContact CE2-CG1 4.22Å; F22-I554 HydrophobicContact CG-CD1 4.06Å; F22-I554 HydrophobicContact CG-CG1 4.41Å; F22-I554 HydrophobicContact CZ-CD1 4.43Å; T23-I554 WeakPolarHBondContact O-CG2 3.46Å; T24-I554 HydrophobicContact CG2-CG2 4.3Å; L384-I554 HydrophobicContact CD2-CD1 4.28Å; L384-I554 HydrophobicContact CG-CD1 4.17Å; C385-I554 VanDerWaalsContact CA-O 3.24Å; C385-I554 WeakPolarHBondContact CA-O 3.09Å; L386-I554 HydrophobicContact CB-CG1 3.98Å; L386-I554 HydrophobicContact CD1-CD1 4.36Å; L386-I554 HydrophobicContact CD1-CG1 3.94Å; L386-I554 HydrophobicContact CG-CD1 4.12Å; L386-I554 HydrophobicContact CG-CG1 3.88Å; L386-I554 PolarHBondContact N-O 3.24Å; L386-I554 VanDerWaalsContact N-O 3.07Å; P552-I554 PolarHBondContact O-N 2.87Å; I554-K556 HydrophobicContact CB-CG 4.29Å; I554-K556 HydrophobicContact CD1-CB 4.46Å; I554-K556 HydrophobicContact CD1-CG 3.92Å
555	C	97.4	Very high	96.3	Very high	35 Å²	35	56.2 Å²	56.2	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.1	160.4	179.3	0	0	0	0	106.9	G307 Q383 L384 P552	G307-C555 PolarHBondContact O-SG 3.13Å; Q383-C555 VanDerWaalsContact CD-SG 3.54Å; L384-C555 WeakPolarHBondContact O-CA 3.48Å; P552-C555 HydrophobicContact CB-CB 4.34Å; P552-C555 HydrophobicContact CG-CB 3.91Å
556	K	98	Very high	96.6	Very high	83 Å²	83	49.7 Å²	49.7	36%	0.361	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	131.8	-172.8	-57	-65.3	163.5	-155.4	0	111.5	F22 Q383 L384 I554 I558	F22-K556 HydrophobicContact CB-CG 4.25Å; Q383-K556 CarbonylContact C-O 3.51Å; Q383-K556 WeakPolarHBondContact CA-O 3.39Å; L384-K556 PolarHBondContact N-O 3.26Å; L384-K556 PolarHBondContact O-N 3.3Å; I554-K556 HydrophobicContact CB-CG 4.29Å; I554-K556 HydrophobicContact CD1-CB 4.46Å; I554-K556 HydrophobicContact CD1-CG 3.92Å; K556-I558 HydrophobicContact CB-CG2 4.21Å; K556-I558 PolarHBondContact O-N 2.98Å
557	K	97.9	Very high	96.9	Very high	33 Å²	33	47.3 Å²	47.3	14%	0.143	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	121.1	166.5	177	165.7	177.2	56.8	0	109.6	N16 I18 K19 T382 A559	N16-K557 WeakPolarHBondContact OD1-CE 3.46Å; I18-K557 HydrophobicContact CG1-CG 4.44Å; K19-K557 PolarHBondContact N-O 3.22Å; T382-K557 PolarHBondContact OG1-NZ 3.13Å; K557-A559 PolarHBondContact NZ-O 2.97Å
558	I	98.1	Very high	97.1	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.062	24%	0.236	C	C	.	.			trans	-125.5	-3.7	-175.2	63.1	156.9	0	0	0	114.8	I18 T382 L384 K556 L563 T575 W585	I18-I558 WeakPolarHBondContact CG2-O 3.35Å; T382-I558 PolarHBondContact O-N 2.98Å; L384-I558 HydrophobicContact CB-CD1 3.72Å; L384-I558 HydrophobicContact CB-CG1 4.06Å; L384-I558 HydrophobicContact CB-CG2 4.31Å; L384-I558 HydrophobicContact CD2-CD1 4.36Å; K556-I558 HydrophobicContact CB-CG2 4.21Å; K556-I558 PolarHBondContact O-N 2.98Å; I558-L563 HydrophobicContact CD1-CD1 3.91Å; I558-L563 HydrophobicContact CD1-CD2 4.03Å; I558-L563 HydrophobicContact CG1-CD1 3.65Å; I558-L563 HydrophobicContact CG1-CD2 4.15Å; I558-L563 HydrophobicContact CG1-CG 4.5Å; I558-T575 HydrophobicContact CD1-CG2 3.77Å; I558-W585 HydrophobicContact CB-CH2 3.72Å; I558-W585 HydrophobicContact CB-CZ2 3.71Å; I558-W585 HydrophobicContact CD1-CZ2 3.88Å; I558-W585 HydrophobicContact CG1-CZ2 4.41Å; I558-W585 HydrophobicContact CG2-CH2 3.47Å; I558-W585 VanDerWaalsContact CG2-CH2 3.47Å; I558-W585 HydrophobicContact CG2-CZ2 3.87Å; I558-W585 HydrophobicContact CG2-CZ3 4.32Å
559	A	96.8	Very high	97.2	Very high	8 Å²	8	46.4 Å²	46.4	7%	0.066	23%	0.228	C	C	.	.			trans	-140.1	163.9	179.3	0	0	0	0	0	112.4	T382 K557 E561 L563 C577	T382-A559 WeakPolarHBondContact CB-O 3.3Å; K557-A559 PolarHBondContact NZ-O 2.97Å; A559-E561 VanDerWaalsContact CB-O 3.29Å; A559-E561 WeakPolarHBondContact CB-O 3.36Å; A559-L563 HydrophobicContact CB-CD2 3.77Å; A559-L563 HydrophobicContact CB-CG 4.16Å; A559-C577 HydrophobicContact CB-CB 3.81Å
560	H	94.5	Very high	97.1	Very high	142 Å²	142	47 Å²	47	66%	0.657	23%	0.228	S	C	*	.	S	Bend	trans	-79.9	-48.4	170.5	-74.1	-66.7	0	0	0	110.6	I18	I18-H560 HydrophobicContact CD1-CB 4.4Å; I18-H560 VanDerWaalsContact CD1-CD2 3.46Å; I18-H560 WeakPolarHBondContact CD1-CD2 3.25Å; I18-H560 WeakPolarHBondContact CD1-NE2 3.23Å
561	E	95.5	Very high	97	Very high	70 Å²	70	48.8 Å²	48.8	33%	0.327	24%	0.237	S	C	.	.	S	Bend	trans	-100.5	169.4	176.6	-88.7	-70.6	175	0	0	113.9	T382 A559 Q578 E579	T382-E561 VanDerWaalsContact CG2-C 3.46Å; T382-E561 WeakPolarHBondContact CG2-O 3.14Å; A559-E561 VanDerWaalsContact CB-O 3.29Å; A559-E561 WeakPolarHBondContact CB-O 3.36Å; E561-Q578 HydrophobicContact CB-CB 4.25Å; E561-E579 HydrophobicContact CB-CG 3.78Å; E561-E579 HydrophobicContact CG-CG 3.74Å; E561-E579 PolarHBondContact N-OE2 2.89Å
562	R	96.2	Very high	97.1	Very high	70 Å²	70	40.7 Å²	40.7	26%	0.264	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-51.9	140.4	-179.1	65.4	179.3	-173.6	-166.8	-2.4	112.9	S50 Q380 T564 C577 Q578	S50-R562 PolarHBondContact O-NH2 3.02Å; Q380-R562 HydrophobicContact CB-CB 4.26Å; Q380-R562 HydrophobicContact CG-CB 4.33Å; R562-T564 HydrophobicContact CG-CG2 4.49Å; R562-C577 CarbonylContact O-C 3.49Å; R562-C577 VanDerWaalsContact O-CA 3.31Å; R562-C577 WeakPolarHBondContact O-CA 3.43Å; R562-Q578 HydrophobicContact CG-CB 3.77Å; R562-Q578 HydrophobicContact CG-CG 4.36Å; R562-Q578 PolarHBondContact O-N 2.92Å
563	L	98.4	Very high	97.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	142.9	176.6	-68.5	161.8	0	0	0	110.6	S313 V378 G379 Q383 I558 A559 C577	S313-L563 WeakPolarHBondContact CB-O 3.41Å; S313-L563 PolarHBondContact OG-O 2.98Å; V378-L563 HydrophobicContact CB-CB 3.69Å; V378-L563 HydrophobicContact CB-CD1 3.77Å; V378-L563 HydrophobicContact CB-CG 4.32Å; V378-L563 HydrophobicContact CG1-CB 4.42Å; V378-L563 HydrophobicContact CG1-CD1 3.85Å; V378-L563 HydrophobicContact CG2-CB 3.97Å; G379-L563 PolarHBondContact O-N 3.12Å; Q383-L563 WeakPolarHBondContact O-CD1 3.36Å; I558-L563 HydrophobicContact CD1-CD1 3.91Å; I558-L563 HydrophobicContact CD1-CD2 4.03Å; I558-L563 HydrophobicContact CG1-CD1 3.65Å; I558-L563 HydrophobicContact CG1-CD2 4.15Å; I558-L563 HydrophobicContact CG1-CG 4.5Å; A559-L563 HydrophobicContact CB-CD2 3.77Å; A559-L563 HydrophobicContact CB-CG 4.16Å; L563-C577 HydrophobicContact CD2-CB 4.39Å
564	T	98.3	Very high	97.2	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	-4.6	-172.9	57.1	0	0	0	0	114	P52 V53 V314 R562 A576	P52-T564 HydrophobicContact CB-CG2 3.92Å; V53-T564 WeakPolarHBondContact O-CB 3.49Å; V53-T564 PolarHBondContact O-OG1 3.46Å; V314-T564 VanDerWaalsContact CG2-O 3.31Å; V314-T564 WeakPolarHBondContact CG2-O 3.28Å; R562-T564 HydrophobicContact CG-CG2 4.49Å; T564-A576 PolarHBondContact N-O 3.05Å; T564-A576 PolarHBondContact OG1-O 2.79Å
565	V	98.8	Very high	97.3	Very high	6 Å²	6	35 Å²	35	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137	177.3	175.6	0	0	0	0	110	V55 I567 T575 A576	V55-V565 HydrophobicContact CB-CG1 4.1Å; V55-V565 HydrophobicContact CB-CG2 4.16Å; V55-V565 HydrophobicContact CG2-CG1 4.34Å; V55-V565 HydrophobicContact CG2-CG2 4Å; V565-I567 HydrophobicContact CG1-CD1 3.75Å; V565-I567 HydrophobicContact CG1-CG1 3.82Å; V565-T575 VanDerWaalsContact O-CA 3.31Å; V565-T575 WeakPolarHBondContact O-CA 3.47Å; V565-A576 HydrophobicContact CB-CB 3.83Å; V565-A576 HydrophobicContact CG2-CB 3.95Å; V565-A576 PolarHBondContact N-O 2.92Å; V565-A576 PolarHBondContact O-N 2.99Å
566	L	98.9	Very high	97.3	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124.8	159.7	171.8	64.1	0	0	0	107.8	V314 A316 G376 V378 L384 F568 L573 V574 T575	V314-L566 HydrophobicContact CB-CB 4.47Å; V314-L566 HydrophobicContact CG1-CB 4.22Å; A316-L566 HydrophobicContact CB-CD2 4.32Å; A316-L566 HydrophobicContact CB-CG 4.3Å; G376-L566 WeakPolarHBondContact O-CD2 3.44Å; V378-L566 HydrophobicContact CG1-CB 4.05Å; V378-L566 HydrophobicContact CG1-CD2 4.33Å; V378-L566 HydrophobicContact CG2-CB 3.82Å; L384-L566 HydrophobicContact CD1-CD1 3.99Å; L384-L566 HydrophobicContact CD1-CD2 4.17Å; L566-F568 HydrophobicContact CD1-CE2 4.25Å; L566-F568 HydrophobicContact CD1-CZ 4.13Å; L566-F568 HydrophobicContact CD2-CE2 3.97Å; L566-F568 HydrophobicContact CD2-CZ 4.21Å; L566-F568 HydrophobicContact CG-CE2 4.08Å; L566-F568 HydrophobicContact CG-CZ 4.39Å; L566-L573 HydrophobicContact CD1-CD1 4.02Å; L566-V574 CarbonylContact C-O 3.59Å; L566-V574 WeakPolarHBondContact CA-O 3.39Å; L566-T575 HydrophobicContact CD1-CG2 3.95Å
567	I	98.8	Very high	97.3	Very high	41 Å²	41	29.9 Å²	29.9	21%	0.21	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.6	178.7	-63.1	170.9	0	0	0	108.5	V55 F57 V565 L569 L573 V574	V55-I567 HydrophobicContact CB-CD1 4.39Å; V55-I567 HydrophobicContact CG1-CD1 4.43Å; F57-I567 HydrophobicContact CD2-CD1 3.9Å; F57-I567 HydrophobicContact CD2-CG2 4.24Å; F57-I567 HydrophobicContact CE2-CD1 3.79Å; F57-I567 HydrophobicContact CE2-CG2 4.26Å; V565-I567 HydrophobicContact CG1-CD1 3.75Å; V565-I567 HydrophobicContact CG1-CG1 3.82Å; I567-L569 HydrophobicContact CG2-CD2 3.91Å; I567-L569 HydrophobicContact CG2-CG 4.17Å; I567-L573 CarbonylContact O-C 3.48Å; I567-L573 WeakPolarHBondContact O-CA 3.5Å; I567-V574 HydrophobicContact CB-CB 4.43Å; I567-V574 PolarHBondContact N-O 3.24Å; I567-V574 PolarHBondContact O-N 3.42Å
568	F	98.4	Very high	97.2	Very high	18 Å²	18	28.8 Å²	28.8	8%	0.079	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.5	173.6	-67.9	-78.4	0	0	0	110.3	A316 D318 L386 L566 L573	A316-F568 HydrophobicContact CB-CD2 4.01Å; A316-F568 HydrophobicContact CB-CE2 4.03Å; A316-F568 WeakPolarHBondContact O-CE2 3.4Å; D318-F568 HydrophobicContact CB-CB 4.29Å; D318-F568 HydrophobicContact CB-CD1 3.7Å; D318-F568 HydrophobicContact CB-CD2 3.89Å; D318-F568 HydrophobicContact CB-CE1 3.92Å; D318-F568 HydrophobicContact CB-CE2 4.11Å; D318-F568 HydrophobicContact CB-CG 3.69Å; D318-F568 HydrophobicContact CB-CZ 4.12Å; L386-F568 HydrophobicContact CD2-CE1 4.17Å; L386-F568 HydrophobicContact CD2-CZ 3.75Å; L566-F568 HydrophobicContact CD1-CE2 4.25Å; L566-F568 HydrophobicContact CD1-CZ 4.13Å; L566-F568 HydrophobicContact CD2-CE2 3.97Å; L566-F568 HydrophobicContact CD2-CZ 4.21Å; L566-F568 HydrophobicContact CG-CE2 4.08Å; L566-F568 HydrophobicContact CG-CZ 4.39Å; F568-L573 HydrophobicContact CD1-CB 3.91Å; F568-L573 HydrophobicContact CE1-CB 4.1Å
569	L	96.8	Very high	97.1	Very high	38 Å²	38	29.6 Å²	29.6	20%	0.199	14%	0.142	C	C	.	.			trans	-125.6	170.3	176.6	-56	175.8	0	0	0	109.1	F57 Y83 Y320 I567 D571 C572 V574 R587	F57-L569 HydrophobicContact CE2-CD1 4.23Å; F57-L569 HydrophobicContact CZ-CD1 4.25Å; Y83-L569 HydrophobicContact CE1-CD1 3.65Å; Y320-L569 WeakPolarHBondContact CD2-O 3.44Å; I567-L569 HydrophobicContact CG2-CD2 3.91Å; I567-L569 HydrophobicContact CG2-CG 4.17Å; L569-D571 PolarHBondContact O-N 2.76Å; L569-C572 CarbonylContact C-O 3.59Å; L569-C572 WeakPolarHBondContact CA-O 3.23Å; L569-C572 WeakPolarHBondContact CB-O 3.4Å; L569-C572 PolarHBondContact N-O 2.82Å; L569-V574 HydrophobicContact CD1-CG2 3.88Å; L569-R587 VanDerWaalsContact O-CZ 3.29Å; L569-R587 PolarHBondContact O-NE 2.8Å; L569-R587 PolarHBondContact O-NH2 3.19Å
570	E	93.9	Very high	97.1	Very high	111 Å²	111	29.2 Å²	29.2	52%	0.519	14%	0.139	S	C	.	.	S	Bend	trans	-63.1	-45.3	-174.4	-161.1	-153.2	129.9	0	0	113	Y320 R587 K590	Y320-E570 HydrophobicContact CD1-CB 3.93Å; Y320-E570 HydrophobicContact CD1-CG 3.73Å; Y320-E570 HydrophobicContact CE1-CB 3.49Å; Y320-E570 VanDerWaalsContact CE1-CB 3.49Å; Y320-E570 HydrophobicContact CE1-CG 3.63Å; Y320-E570 VanDerWaalsContact CZ-N 3.35Å; E570-R587 WeakPolarHBondContact O-CD 3.4Å; E570-R587 PolarHBondContact O-NE 2.89Å; E570-K590 IonicContact OE1-NZ 2.71Å; E570-K590 PolarHBondContact OE1-NZ 2.77Å
571	D	94.4	Very high	97.3	Very high	48 Å²	48	24.2 Å²	24.2	26%	0.257	12%	0.116	S	C	.	.	S	Bend	trans	-85.9	-20.7	-178.2	-75.6	-11.7	0	0	0	114.1	V86 L569 R587 K590	V86-D571 HydrophobicContact CG1-CB 4.06Å; L569-D571 PolarHBondContact O-N 2.76Å; D571-R587 PolarHBondContact O-N 3.44Å; D571-K590 VanDerWaalsContact OD1-CD 3.26Å; D571-K590 WeakPolarHBondContact OD1-CD 3.37Å; D571-K590 WeakPolarHBondContact OD1-CE 3.44Å; D571-K590 IonicContact OD1-NZ 3.34Å; D571-K590 PolarHBondContact OD1-NZ 3.02Å
572	C	97.2	Very high	97.4	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	163.2	-162	53.9	0	0	0	0	113.1	Y83 V86 L569 T584 W585	Y83-C572 PolarHBondContact OH-SG 2.83Å; Y83-C572 VanDerWaalsContact OH-SG 3.36Å; V86-C572 HydrophobicContact CG1-CB 4.07Å; L569-C572 CarbonylContact C-O 3.59Å; L569-C572 WeakPolarHBondContact CA-O 3.23Å; L569-C572 WeakPolarHBondContact CB-O 3.4Å; L569-C572 PolarHBondContact N-O 2.82Å; C572-T584 HydrophobicContact CB-CG2 3.87Å; C572-W585 CarbonylContact C-O 3.56Å; C572-W585 WeakPolarHBondContact CA-O 3.19Å; C572-W585 WeakPolarHBondContact CB-O 3.42Å
573	L	97.3	Very high	97.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	153.3	156.8	79.2	98.2	0	0	0	109.2	F22 Y29 L384 L566 I567 F568 T575 W585	F22-L573 HydrophobicContact CE1-CD2 4.29Å; F22-L573 HydrophobicContact CZ-CD2 3.73Å; Y29-L573 HydrophobicContact CD1-CD2 3.81Å; Y29-L573 HydrophobicContact CE1-CD2 4.13Å; L384-L573 HydrophobicContact CD2-CD1 4.46Å; L566-L573 HydrophobicContact CD1-CD1 4.02Å; I567-L573 CarbonylContact O-C 3.48Å; I567-L573 WeakPolarHBondContact O-CA 3.5Å; F568-L573 HydrophobicContact CD1-CB 3.91Å; F568-L573 HydrophobicContact CE1-CB 4.1Å; L573-T575 HydrophobicContact CD1-CG2 3.64Å; L573-W585 HydrophobicContact CD1-CB 4.48Å; L573-W585 VanDerWaalsContact CD1-CD1 3.46Å; L573-W585 HydrophobicContact CD1-CG 4.03Å; L573-W585 HydrophobicContact CD2-CB 4.22Å; L573-W585 HydrophobicContact CD2-CG 4.41Å; L573-W585 HydrophobicContact CG-CB 3.94Å; L573-W585 HydrophobicContact CG-CG 4.04Å; L573-W585 PolarHBondContact N-O 3.31Å; L573-W585 PolarHBondContact O-N 2.86Å
574	V	98.8	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.8	178.2	-179.6	0	0	0	0	109.5	F57 Y83 L566 I567 L569 I582 C583	F57-V574 HydrophobicContact CE2-CB 4.34Å; F57-V574 HydrophobicContact CE2-CG1 4.29Å; F57-V574 HydrophobicContact CE2-CG2 4.24Å; F57-V574 HydrophobicContact CZ-CB 4.37Å; F57-V574 HydrophobicContact CZ-CG1 4.1Å; F57-V574 HydrophobicContact CZ-CG2 3.97Å; Y83-V574 WeakPolarHBondContact OH-CG2 3.32Å; L566-V574 CarbonylContact C-O 3.59Å; L566-V574 WeakPolarHBondContact CA-O 3.39Å; I567-V574 HydrophobicContact CB-CB 4.43Å; I567-V574 PolarHBondContact N-O 3.24Å; I567-V574 PolarHBondContact O-N 3.42Å; L569-V574 HydrophobicContact CD1-CG2 3.88Å; V574-I582 HydrophobicContact CG1-CG2 3.5Å; V574-I582 VanDerWaalsContact CG1-CG2 3.5Å; V574-C583 WeakPolarHBondContact CA-O 3.43Å
575	T	98.8	Very high	97.6	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.4	175.2	51.3	0	0	0	0	110.5	V378 I558 V565 L566 L573 C583 W585	V378-T575 HydrophobicContact CG1-CG2 4.38Å; I558-T575 HydrophobicContact CD1-CG2 3.77Å; V565-T575 VanDerWaalsContact O-CA 3.31Å; V565-T575 WeakPolarHBondContact O-CA 3.47Å; L566-T575 HydrophobicContact CD1-CG2 3.95Å; L573-T575 HydrophobicContact CD1-CG2 3.64Å; T575-C583 PolarHBondContact N-O 2.94Å; T575-C583 PolarHBondContact O-N 2.84Å; T575-W585 PolarHBondContact OG1-NE1 3.44Å
576	A	98.5	Very high	97.5	Very high	1 Å²	1	18 Å²	18	1%	0.008	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148	171.8	0	0	0	0	0	111.8	V53 V55 T564 V565 F581 I582	V53-A576 HydrophobicContact CG1-CB 4.18Å; V55-A576 HydrophobicContact CG2-CB 4.19Å; T564-A576 PolarHBondContact N-O 3.05Å; T564-A576 PolarHBondContact OG1-O 2.79Å; V565-A576 HydrophobicContact CB-CB 3.83Å; V565-A576 HydrophobicContact CG2-CB 3.95Å; V565-A576 PolarHBondContact N-O 2.92Å; V565-A576 PolarHBondContact O-N 2.99Å; A576-F581 VanDerWaalsContact CA-O 3.29Å; A576-F581 WeakPolarHBondContact CA-O 3.23Å; A576-F581 WeakPolarHBondContact CB-O 3.32Å; A576-I582 HydrophobicContact CB-CG1 4.08Å
577	C	96.8	Very high	97.4	Very high	8 Å²	8	18.4 Å²	18.4	5%	0.054	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	166	172.5	67.3	0	0	0	0	111.9	A559 R562 L563 E579 G580 F581	A559-C577 HydrophobicContact CB-CB 3.81Å; R562-C577 CarbonylContact O-C 3.49Å; R562-C577 VanDerWaalsContact O-CA 3.31Å; R562-C577 WeakPolarHBondContact O-CA 3.43Å; L563-C577 HydrophobicContact CD2-CB 4.39Å; C577-E579 PolarHBondContact O-N 3.03Å; C577-E579 PolarHBondContact SG-OE2 3.38Å; C577-G580 PolarHBondContact O-N 2.67Å; C577-F581 PolarHBondContact N-O 3.03Å
578	Q	96.7	Very high	97.2	Very high	10 Å²	10	18.1 Å²	18.1	5%	0.047	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-22	179.3	-172.7	62.2	81.6	0	0	114.3	N51 E561 R562 G580	N51-Q578 PolarHBondContact O-NE2 2.8Å; E561-Q578 HydrophobicContact CB-CB 4.25Å; R562-Q578 HydrophobicContact CG-CB 3.77Å; R562-Q578 HydrophobicContact CG-CG 4.36Å; R562-Q578 PolarHBondContact O-N 2.92Å; Q578-G580 PolarHBondContact O-N 2.79Å
579	E	95.9	Very high	96.8	Very high	29 Å²	29	20.5 Å²	20.5	14%	0.136	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.5	177	-62.7	160.6	108.5	0	0	113.8	P44 F45 E561 C577 F581	P44-E579 HydrophobicContact CB-CB 4.17Å; P44-E579 HydrophobicContact CB-CG 4.21Å; F45-E579 WeakPolarHBondContact CB-O 3.39Å; F45-E579 PolarHBondContact N-O 3.39Å; E561-E579 HydrophobicContact CB-CG 3.78Å; E561-E579 HydrophobicContact CG-CG 3.74Å; E561-E579 PolarHBondContact N-OE2 2.89Å; C577-E579 PolarHBondContact O-N 3.03Å; C577-E579 PolarHBondContact SG-OE2 3.38Å; E579-F581 HydrophobicContact CB-CD2 3.78Å; E579-F581 HydrophobicContact CB-CE2 3.91Å
580	G	96.8	Very high	96.3	Very high	1 Å²	1	21 Å²	21	1%	0.01	12%	0.123	C	C	.	.	S	Bend	trans	81.3	27	178.2	0	0	0	0	0	114.5	S38 C577 Q578	S38-G580 WeakPolarHBondContact CA-O 3.42Å; C577-G580 PolarHBondContact O-N 2.67Å; Q578-G580 PolarHBondContact O-N 2.79Å
581	F	97.9	Very high	95.3	Very high	37 Å²	37	18.9 Å²	18.9	16%	0.162	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131	163.2	-59.9	-74	0	0	0	109.5	P44 A576 C577 E579	P44-F581 HydrophobicContact CB-CE2 4.03Å; P44-F581 HydrophobicContact CB-CZ 4.42Å; P44-F581 HydrophobicContact CG-CE2 3.91Å; P44-F581 HydrophobicContact CG-CZ 3.97Å; A576-F581 VanDerWaalsContact CA-O 3.29Å; A576-F581 WeakPolarHBondContact CA-O 3.23Å; A576-F581 WeakPolarHBondContact CB-O 3.32Å; C577-F581 PolarHBondContact N-O 3.03Å; E579-F581 HydrophobicContact CB-CD2 3.78Å; E579-F581 HydrophobicContact CB-CE2 3.91Å
582	I	98.7	Very high	93.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	108	176.6	-57.5	82.3	0	0	0	107	E36 Y37 V55 I70 F72 V574 A576	E36-I582 WeakPolarHBondContact CA-O 3.22Å; Y37-I582 PolarHBondContact N-O 3.32Å; Y37-I582 WeakPolarHBondContact O-CB 3.3Å; Y37-I582 VanDerWaalsContact O-CD1 3.27Å; Y37-I582 WeakPolarHBondContact O-CD1 3.36Å; Y37-I582 PolarHBondContact O-N 2.87Å; V55-I582 HydrophobicContact CG2-CG1 3.58Å; V55-I582 HydrophobicContact CG2-CG2 4.05Å; I70-I582 HydrophobicContact CD1-CG2 4.13Å; F72-I582 HydrophobicContact CB-CD1 4.19Å; F72-I582 HydrophobicContact CB-CG1 4.44Å; F72-I582 HydrophobicContact CD1-CD1 4.03Å; F72-I582 HydrophobicContact CD2-CD1 3.63Å; F72-I582 HydrophobicContact CE1-CD1 4.28Å; F72-I582 HydrophobicContact CE2-CD1 3.91Å; F72-I582 HydrophobicContact CG-CD1 3.7Å; F72-I582 HydrophobicContact CG-CG1 4.36Å; F72-I582 HydrophobicContact CZ-CD1 4.23Å; V574-I582 HydrophobicContact CG1-CG2 3.5Å; V574-I582 VanDerWaalsContact CG1-CG2 3.5Å; A576-I582 HydrophobicContact CB-CG1 4.08Å
583	C	98.6	Very high	91.3	Very high	24 Å²	24	24.2 Å²	24.2	16%	0.162	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.5	-170.8	-68.6	0	0	0	0	111.2	L31 V574 T575	L31-C583 HydrophobicContact CD1-CB 3.61Å; V574-C583 WeakPolarHBondContact CA-O 3.43Å; T575-C583 PolarHBondContact N-O 2.94Å; T575-C583 PolarHBondContact O-N 2.84Å
584	T	98.6	Very high	89	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.3	178	-55.2	0	0	0	0	109.7	L32 S35 Y83 C572	L32-T584 PolarHBondContact N-O 2.89Å; S35-T584 PolarHBondContact O-OG1 2.82Å; Y83-T584 WeakPolarHBondContact OH-CG2 3.35Å; C572-T584 HydrophobicContact CB-CG2 3.87Å
585	W	98.4	Very high	86.1	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.3	175.5	-41	62	0	0	0	109.5	K19 F22 K30 L31 I558 C572 L573 T575	K19-W585 VanDerWaalsContact O-CH2 3.25Å; K19-W585 WeakPolarHBondContact O-CH2 3.25Å; F22-W585 HydrophobicContact CD1-CE3 4.28Å; F22-W585 HydrophobicContact CD1-CZ3 4.26Å; F22-W585 AromaticContact CE1-CE3 3.99Å; F22-W585 HydrophobicContact CE1-CE3 3.99Å; F22-W585 HydrophobicContact CE1-CZ3 4.33Å; K30-W585 CarbonylContact O-C 3.47Å; K30-W585 VanDerWaalsContact O-CA 3.22Å; K30-W585 WeakPolarHBondContact O-CA 3.46Å; L31-W585 HydrophobicContact CB-CD2 4.05Å; L31-W585 HydrophobicContact CB-CE3 3.76Å; L31-W585 HydrophobicContact CB-CH2 4.24Å; L31-W585 HydrophobicContact CB-CZ3 3.88Å; L31-W585 HydrophobicContact CD1-CD2 4.21Å; L31-W585 HydrophobicContact CD1-CZ2 4.22Å; I558-W585 HydrophobicContact CB-CH2 3.72Å; I558-W585 HydrophobicContact CB-CZ2 3.71Å; I558-W585 HydrophobicContact CD1-CZ2 3.88Å; I558-W585 HydrophobicContact CG1-CZ2 4.41Å; I558-W585 HydrophobicContact CG2-CH2 3.47Å; I558-W585 VanDerWaalsContact CG2-CH2 3.47Å; I558-W585 HydrophobicContact CG2-CZ2 3.87Å; I558-W585 HydrophobicContact CG2-CZ3 4.32Å; C572-W585 CarbonylContact C-O 3.56Å; C572-W585 WeakPolarHBondContact CA-O 3.19Å; C572-W585 WeakPolarHBondContact CB-O 3.42Å; L573-W585 HydrophobicContact CD1-CB 4.48Å; L573-W585 VanDerWaalsContact CD1-CD1 3.46Å; L573-W585 HydrophobicContact CD1-CG 4.03Å; L573-W585 HydrophobicContact CD2-CB 4.22Å; L573-W585 HydrophobicContact CD2-CG 4.41Å; L573-W585 HydrophobicContact CG-CB 3.94Å; L573-W585 HydrophobicContact CG-CG 4.04Å; L573-W585 PolarHBondContact N-O 3.31Å; L573-W585 PolarHBondContact O-N 2.86Å; T575-W585 PolarHBondContact OG1-NE1 3.44Å
586	A	97.9	Very high	83.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	141.1	175.8	0	0	0	0	0	111.2	Y29 K30 L32 V86 V591	Y29-A586 WeakPolarHBondContact CA-O 3.45Å; K30-A586 PolarHBondContact N-O 2.79Å; K30-A586 PolarHBondContact O-N 2.76Å; L32-A586 HydrophobicContact CD1-CB 3.78Å; L32-A586 HydrophobicContact CD2-CB 4.48Å; L32-A586 HydrophobicContact CG-CB 4.11Å; V86-A586 HydrophobicContact CB-CB 4.44Å; V86-A586 HydrophobicContact CG1-CB 3.6Å; A586-V591 HydrophobicContact CB-CG2 3.32Å
587	R	97.1	Very high	80.2	Confident	14 Å²	14	42.2 Å²	42.2	5%	0.053	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-67.9	161.7	167	-69.4	-172.8	-168.8	-92.2	5.4	111.2	Y29 D318 L569 E570 D571 K590	Y29-R587 HydrophobicContact CD1-CG 4.42Å; Y29-R587 HydrophobicContact CE1-CB 4.32Å; Y29-R587 HydrophobicContact CE1-CG 3.75Å; Y29-R587 PolarHBondContact OH-NH1 3.21Å; D318-R587 IonicContact OD1-CZ 3.01Å; D318-R587 IonicContact OD1-NH1 3.01Å; D318-R587 PolarHBondContact OD1-NH1 2.81Å; D318-R587 IonicContact OD1-NH2 3.93Å; D318-R587 PolarHBondContact OD1-NH2 3.39Å; D318-R587 IonicContact OD2-CZ 3.6Å; D318-R587 IonicContact OD2-NH1 2.67Å; D318-R587 PolarHBondContact OD2-NH1 2.96Å; D318-R587 IonicContact OD2-NH2 3.2Å; L569-R587 VanDerWaalsContact O-CZ 3.29Å; L569-R587 PolarHBondContact O-NE 2.8Å; L569-R587 PolarHBondContact O-NH2 3.19Å; E570-R587 WeakPolarHBondContact O-CD 3.4Å; E570-R587 PolarHBondContact O-NE 2.89Å; D571-R587 PolarHBondContact O-N 3.44Å; R587-K590 HydrophobicContact CB-CB 4.4Å; R587-K590 HydrophobicContact CB-CG 4.02Å; R587-K590 PolarHBondContact O-N 3.04Å
588	P	94.9	Very high	77.3	Confident	35 Å²	35	48 Å²	48	23%	0.227	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	141.9	168.2	-26.7	35.9	0	0	0	111.9	E26 G27 Y29 K590	E26-P588 HydrophobicContact CB-CG 4.09Å; E26-P588 WeakPolarHBondContact O-CB 3.08Å; E26-P588 WeakPolarHBondContact O-CG 3.48Å; G27-P588 VanDerWaalsContact C-CG 3.49Å; Y29-P588 HydrophobicContact CD2-CG 3.95Å; Y29-P588 HydrophobicContact CE2-CG 3.81Å; P588-K590 PolarHBondContact O-N 2.92Å
589	G	88.6	Confident	74.3	Confident	68 Å²	68	55.3 Å²	55.3	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-40.6	-177.7	0	0	0	0	0	115.7	V591 G592	G589-V591 PolarHBondContact O-N 3.23Å; G589-G592 PolarHBondContact O-N 3.43Å
590	K	86	Confident	71.3	Confident	48 Å²	48	58.4 Å²	58.4	21%	0.209	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.5	-170.2	-67.2	-70.3	-157.1	153.8	0	115.6	E570 D571 R587 P588	E570-K590 IonicContact OE1-NZ 2.71Å; E570-K590 PolarHBondContact OE1-NZ 2.77Å; D571-K590 VanDerWaalsContact OD1-CD 3.26Å; D571-K590 WeakPolarHBondContact OD1-CD 3.37Å; D571-K590 WeakPolarHBondContact OD1-CE 3.44Å; D571-K590 IonicContact OD1-NZ 3.34Å; D571-K590 PolarHBondContact OD1-NZ 3.02Å; R587-K590 HydrophobicContact CB-CB 4.4Å; R587-K590 HydrophobicContact CB-CG 4.02Å; R587-K590 PolarHBondContact O-N 3.04Å; P588-K590 PolarHBondContact O-N 2.92Å
591	V	73.8	Confident	68.4	Low	68 Å²	68	62.9 Å²	62.9	41%	0.412	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-29.8	172.3	-174	0	0	0	0	112.6	A586 G589	A586-V591 HydrophobicContact CB-CG2 3.32Å; G589-V591 PolarHBondContact O-N 3.23Å
592	G	56.7	Low	65.1	Low	47 Å²	47	66 Å²	66	49%	0.485	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-78.7	-22.7	-165.5	0	0	0	0	0	115.9	G589 L594 S595	G589-G592 PolarHBondContact O-N 3.43Å; G592-L594 PolarHBondContact O-N 2.69Å; G592-L594 VanDerWaalsContact O-N 3.07Å; G592-S595 PolarHBondContact O-OG 2.99Å
593	L	51.2	Low	62.2	Low	115 Å²	115	72 Å²	72	60%	0.602	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-68.4	-7.3	-174.9	-74.5	163.1	0	0	0	114.3	S596	L593-S596 PolarHBondContact O-OG 2.8Å
594	L	48.3	Very low	59	Low	73 Å²	73	76 Å²	76	38%	0.382	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-84.1	-11.1	-176.9	-62.7	173.1	0	0	0	114.4	R87 G592	R87-L594 HydrophobicContact CG-CD2 4.02Å; G592-L594 PolarHBondContact O-N 2.69Å; G592-L594 VanDerWaalsContact O-N 3.07Å
595	S	37.8	Very low	55.9	Low	84 Å²	84	79.3 Å²	79.3	59%	0.587	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-30.7	179.3	58.4	0	0	0	0	113.9	G592	G592-S595 PolarHBondContact O-OG 2.99Å
596	S	36	Very low	52.9	Low	70 Å²	70	84.8 Å²	84.8	49%	0.49	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-41.8	-174.2	52.7	0	0	0	0	113.3	L593 N598 Q599	L593-S596 PolarHBondContact O-OG 2.8Å; S596-N598 VanDerWaalsContact C-N 3.26Å; S596-N598 PolarHBondContact O-N 3.17Å; S596-Q599 PolarHBondContact O-N 3.36Å
597	Q	38.2	Very low	49.9	Very low	155 Å²	155	91.4 Å²	91.4	72%	0.724	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-65	-27.7	-179.2	-72.2	-173.4	-23.7	0	0	113.4
598	N	34.8	Very low	47.1	Very low	130 Å²	130	100.3 Å²	100.3	70%	0.695	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-84.8	-2.3	179.7	-80.7	-18.9	0	0	0	114.7	S596	S596-N598 VanDerWaalsContact C-N 3.26Å; S596-N598 PolarHBondContact O-N 3.17Å
599	Q	34.2	Very low	44.7	Very low	162 Å²	162	103.6 Å²	103.6	76%	0.757	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-95.9	-9	173.8	-73.1	-170	-19.8	0	0	113.7	S596 S601	S596-Q599 PolarHBondContact O-N 3.36Å; Q599-S601 VanDerWaalsContact C-N 3.27Å; Q599-S601 PolarHBondContact O-N 2.61Å
600	A	34	Very low	42.4	Very low	95 Å²	95	105.4 Å²	105.4	79%	0.785	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-1.3	-176.1	0	0	0	0	0	115.2
601	S	35.4	Very low	40	Very low	94 Å²	94	108.6 Å²	108.6	66%	0.657	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	27.1	-168.7	57.1	0	0	0	0	115.1	Q599 P603	Q599-S601 VanDerWaalsContact C-N 3.27Å; Q599-S601 PolarHBondContact O-N 2.61Å; S601-P603 WeakPolarHBondContact O-CD 3.31Å
602	S	27.6	Very low	38	Very low	103 Å²	103	111 Å²	111	72%	0.72	70%	0.703	S	S	*	*			trans	-95.4	109	165.9	-68.5	0	0	0	0	110.7	S604	S602-S604 PolarHBondContact O-N 3.05Å
603	P	37.4	Very low	36.8	Very low	125 Å²	125	115 Å²	115	81%	0.812	72%	0.716	S	S	*	*			trans	-69.2	121.9	175.2	28	-32.7	0	0	0	109.9	S601 G605	S601-P603 WeakPolarHBondContact O-CD 3.31Å; P603-G605 PolarHBondContact O-N 2.89Å
604	S	33.3	Very low	35.8	Very low	109 Å²	109	115 Å²	115	76%	0.762	72%	0.724	S	S	*	*			trans	-68.7	93.7	173.2	177	0	0	0	0	110.1	S602 T606	S602-S604 PolarHBondContact O-N 3.05Å; S604-T606 PolarHBondContact O-N 3.02Å
605	G	31.6	Very low	34.9	Very low	70 Å²	70	118 Å²	118	72%	0.722	75%	0.748	S	S	*	*			trans	-69.1	87.5	172.9	0	0	0	0	0	111.8	P603 V607	P603-G605 PolarHBondContact O-N 2.89Å; G605-V607 PolarHBondContact O-N 3.25Å
606	T	36.3	Very low	34.7	Very low	116 Å²	116	120.6 Å²	120.6	71%	0.712	76%	0.761	S	S	*	*			trans	-66.9	122.4	170.8	-54.1	0	0	0	0	109.7	S604 V608	S604-T606 PolarHBondContact O-N 3.02Å; T606-V608 HydrophobicContact CG2-CG2 4.24Å
607	V	35	Very low	34.6	Very low	139 Å²	139	124.8 Å²	124.8	84%	0.842	78%	0.783	S	S	*	*			trans	-90.1	119.5	171.2	179.2	0	0	0	0	109	G605	G605-V607 PolarHBondContact O-N 3.25Å
608	V	37.9	Very low	34.3	Very low	200 Å²	200	122.1 Å²	122.1	100%	1.212	79%	0.789	S	S	*	*			trans	-140.7	0	161.2	-177.7	0	0	0	0	107.1	T606	T606-V608 HydrophobicContact CG2-CG2 4.24Å

Retrieved 608 of 608 residues in 586.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).