A0A087XFK1_POEFO Loading...

MBL associated serine protease 2

AlphaFold DB , UniProt , Accession A0A087XFK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 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	41.3	Very low	35.8	Very low	235 Å²	235	136.5 Å²	136.5	100%	1.158	83%	0.827	S	S	*	*				0	116.1	0	-83.2	172	152.7	0	0	107.4
2	T	31.3	Very low	35.8	Very low	143 Å²	143	132.3 Å²	132.3	88%	0.877	81%	0.808	S	S	*	*			trans	149	71.7	166.4	50.6	0	0	0	0	106.9
3	S	33.5	Very low	36.4	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	82%	0.82	S	S	*	*				54.7	94	94	-154.3	0	0	0	0	113.3
4	G	39.3	Very low	36.9	Very low	75 Å²	75	136.4 Å²	136.4	77%	0.773	81%	0.813	S	S	*	*			trans	-75.8	147.2	163.8	0	0	0	0	0	110.8
5	I	36.8	Very low	37.5	Very low	149 Å²	149	132.1 Å²	132.1	76%	0.764	81%	0.808	S	S	*	*			trans	-126.5	104	168.2	-63.2	177.2	0	0	0	106.2	V7	I5-V7 HydrophobicContact CG2-CG2 4.01Å
6	C	35.2	Very low	38.5	Very low	108 Å²	108	130.9 Å²	130.9	73%	0.73	80%	0.801	S	S	*	*			trans	-77.4	111.3	165.7	-138.6	0	0	0	0	106.4	F8	C6-F8 HydrophobicContact CB-CE2 4.37Å; C6-F8 PolarHBondContact O-N 2.78Å
7	V	33.2	Very low	39.7	Very low	127 Å²	127	128.3 Å²	128.3	77%	0.77	79%	0.789	S	S	*	*			trans	-86.6	102.3	172	-178.1	0	0	0	0	107.2	I5 A9	I5-V7 HydrophobicContact CG2-CG2 4.01Å; V7-A9 PolarHBondContact O-N 3.35Å
8	F	35	Very low	42.1	Very low	173 Å²	173	126.8 Å²	126.8	76%	0.759	78%	0.775	S	S	*	*			trans	-66.4	109.9	165.8	-72.9	-88.8	0	0	0	108.2	C6 L10	C6-F8 HydrophobicContact CB-CE2 4.37Å; C6-F8 PolarHBondContact O-N 2.78Å; F8-L10 PolarHBondContact O-N 3.11Å
9	A	33.2	Very low	44.6	Very low	95 Å²	95	124.5 Å²	124.5	79%	0.785	76%	0.764	S	S	*	*			trans	-70	107.3	162.9	0	0	0	0	0	107.3	V7 S11	V7-A9 PolarHBondContact O-N 3.35Å; A9-S11 PolarHBondContact O-N 2.86Å; A9-S11 VanDerWaalsContact O-N 3.14Å
10	L	35.3	Very low	47	Very low	165 Å²	165	119.9 Å²	119.9	86%	0.864	74%	0.74	S	S	*	*			trans	-61.6	114	166.9	-87.5	99.1	0	0	0	107.9	F8 S12	F8-L10 PolarHBondContact O-N 3.11Å; L10-S12 PolarHBondContact O-N 3.27Å
11	S	39.7	Very low	49.4	Very low	116 Å²	116	120.3 Å²	120.3	81%	0.811	73%	0.733	S	S	*	*			trans	-64.9	96.8	166.8	54.7	0	0	0	0	108.8	A9 L13	A9-S11 PolarHBondContact O-N 2.86Å; A9-S11 VanDerWaalsContact O-N 3.14Å; S11-L13 PolarHBondContact O-N 2.8Å
12	S	36	Very low	52	Low	86 Å²	86	110.7 Å²	110.7	60%	0.601	69%	0.686	S	S	*	*			trans	-71.2	121.6	166.6	58	0	0	0	0	109.1	L10 L14	L10-S12 PolarHBondContact O-N 3.27Å; S12-L14 PolarHBondContact O-N 3.27Å
13	L	44	Very low	55	Low	185 Å²	185	109.3 Å²	109.3	97%	0.969	68%	0.677	S	S	*	*			trans	-66.1	76.2	166.7	-79.3	145	0	0	0	109.9	S11	S11-L13 PolarHBondContact O-N 2.8Å
14	L	42.7	Very low	57.6	Low	137 Å²	137	105.3 Å²	105.3	72%	0.717	65%	0.654	S	S	*	*			trans	-114.7	115.2	166	-80.9	154.2	0	0	0	105.9	S12 V16	S12-L14 PolarHBondContact O-N 3.27Å; L14-V16 PolarHBondContact O-N 2.79Å
15	G	46.4	Very low	60.2	Low	72 Å²	72	106.2 Å²	106.2	74%	0.742	64%	0.641	S	S	*	*			trans	-51.3	124.7	175.1	0	0	0	0	0	109.3	S17	G15-S17 PolarHBondContact O-N 3.41Å
16	V	53	Low	63.1	Low	114 Å²	114	107.7 Å²	107.7	69%	0.691	64%	0.638	S	S	*	*			trans	-72.9	95.8	-178.4	179.7	0	0	0	0	107.2	L14 L18	L14-V16 PolarHBondContact O-N 2.79Å; V16-L18 PolarHBondContact O-N 3.47Å
17	S	59.3	Low	66.1	Low	86 Å²	86	103.3 Å²	103.3	60%	0.601	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.5	111.5	168.4	59.3	0	0	0	0	108.4	G15 L43	G15-S17 PolarHBondContact O-N 3.41Å; S17-L43 WeakPolarHBondContact CA-O 3.25Å
18	L	83	Confident	69.1	Low	102 Å²	102	100.4 Å²	100.4	53%	0.534	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97	116	177.4	-175.1	68	0	0	0	109.2	V16 L43 V44 V45	V16-L18 PolarHBondContact O-N 3.47Å; L18-L43 PolarHBondContact N-O 2.86Å; L18-L43 VanDerWaalsContact N-O 3.09Å; L18-V44 HydrophobicContact CB-CG1 4.32Å; L18-V44 HydrophobicContact CB-CG2 4.48Å; L18-V44 HydrophobicContact CD2-CG1 4.37Å; L18-V44 CarbonylContact O-C 3.54Å; L18-V44 VanDerWaalsContact O-CA 3.31Å; L18-V44 WeakPolarHBondContact O-CA 3.49Å; L18-V45 PolarHBondContact O-N 3.03Å
19	S	89.5	Confident	72.1	Confident	82 Å²	82	92.8 Å²	92.8	57%	0.573	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.6	128.3	172.9	59.4	0	0	0	0	109.9	V45	S19-V45 CarbonylContact C-O 3.55Å; S19-V45 WeakPolarHBondContact CA-O 3.16Å
20	A	93	Very high	75.2	Confident	33 Å²	33	89.8 Å²	89.8	27%	0.273	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.5	174.6	0	0	0	0	0	110.4	V45 W46 N47	A20-V45 PolarHBondContact N-O 2.81Å; A20-W46 WeakPolarHBondContact O-CA 3.25Å; A20-N47 PolarHBondContact O-N 2.71Å
21	E	96.4	Very high	78.1	Confident	128 Å²	128	82.1 Å²	82.1	60%	0.598	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.5	171.8	-64	-60.3	142.2	0	0	109.2	N47	E21-N47 WeakPolarHBondContact OE1-CB 3.45Å; E21-N47 PolarHBondContact OE1-ND2 3.02Å; E21-N47 VanDerWaalsContact OE2-CB 3.28Å; E21-N47 WeakPolarHBondContact OE2-CB 3.49Å
22	M	96.5	Very high	80.8	Confident	34 Å²	34	78.2 Å²	78.2	17%	0.167	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.7	-177.7	-55.2	-171.5	82.7	0	0	109.3	F29 W46 N47 I48 T49 Y133	M22-F29 HydrophobicContact CE-CB 4.38Å; M22-F29 HydrophobicContact CE-CD1 4.28Å; M22-F29 HydrophobicContact SD-CB 4.4Å; M22-F29 HydrophobicContact SD-CD1 3.94Å; M22-F29 HydrophobicContact SD-CG 4.39Å; M22-W46 HydrophobicContact SD-CB 4.09Å; M22-W46 HydrophobicContact SD-CG 4.16Å; M22-N47 PolarHBondContact N-O 3.01Å; M22-I48 HydrophobicContact CB-CG1 4.24Å; M22-I48 WeakPolarHBondContact O-CA 3.4Å; M22-I48 HydrophobicContact SD-CG1 4.32Å; M22-T49 PolarHBondContact O-N 3.25Å; M22-Y133 HydrophobicContact CB-CE1 4.3Å; M22-Y133 HydrophobicContact CE-CE1 3.7Å; M22-Y133 HydrophobicContact SD-CE1 4.01Å
23	T	94.6	Very high	83.5	Confident	113 Å²	113	76.6 Å²	76.6	69%	0.693	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	154	177.4	60.4	0	0	0	0	109.9	T49	T23-T49 WeakPolarHBondContact CA-O 3.32Å
24	G	87.1	Confident	86	Confident	31 Å²	31	70.3 Å²	70.3	32%	0.32	43%	0.432	S	S	.	.	S	Bend	trans	116.9	-177.9	176	0	0	0	0	0	114
25	L	94.4	Very high	88.6	Confident	95 Å²	95	67.8 Å²	67.8	50%	0.497	42%	0.424	S	S	.	.	S	Bend	trans	-81.4	-17.7	-170.3	-60	176.4	0	0	0	114	P51 T134 S135	L25-P51 HydrophobicContact CD2-CG 3.74Å; L25-T134 CarbonylContact O-C 3.58Å; L25-T134 VanDerWaalsContact O-CA 3.31Å; L25-T134 WeakPolarHBondContact O-CA 3.43Å; L25-S135 VanDerWaalsContact CA-OG 3.29Å; L25-S135 WeakPolarHBondContact CA-OG 3.34Å; L25-S135 WeakPolarHBondContact CD2-OG 3.41Å; L25-S135 PolarHBondContact O-N 3.08Å; L25-S135 PolarHBondContact O-OG 2.94Å
26	Y	97.5	Very high	90.9	Very high	180 Å²	180	70.6 Å²	70.6	71%	0.706	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.7	161.2	177.2	61.3	-89.6	0	0	0	109.9	Y133	Y26-Y133 CarbonylContact C-O 3.45Å; Y26-Y133 WeakPolarHBondContact CA-O 3.32Å; Y26-Y133 WeakPolarHBondContact CB-O 3.23Å
27	G	97.1	Very high	93	Very high	16 Å²	16	67.4 Å²	67.4	17%	0.165	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	173.8	173.5	0	0	0	0	0	111.4	F132 Y133	G27-F132 WeakPolarHBondContact O-CA 3.46Å; G27-Y133 PolarHBondContact N-O 3Å; G27-Y133 PolarHBondContact O-N 2.98Å
28	S	97.5	Very high	94.7	Very high	66 Å²	66	63.6 Å²	63.6	46%	0.462	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.6	178.2	63.5	0	0	0	0	110.2	A131 F132	S28-A131 VanDerWaalsContact CA-O 3.23Å; S28-A131 WeakPolarHBondContact CA-O 3.42Å; S28-F132 VanDerWaalsContact CB-CD1 3.45Å; S28-F132 VanDerWaalsContact CB-CE1 3.45Å
29	F	97.8	Very high	95.2	Very high	13 Å²	13	61.6 Å²	61.6	6%	0.057	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	161.7	175.5	58.7	-82.8	0	0	0	109.5	M22 W46 I48 L58 V114 F129 A131 Y133	M22-F29 HydrophobicContact CE-CB 4.38Å; M22-F29 HydrophobicContact CE-CD1 4.28Å; M22-F29 HydrophobicContact SD-CB 4.4Å; M22-F29 HydrophobicContact SD-CD1 3.94Å; M22-F29 HydrophobicContact SD-CG 4.39Å; F29-W46 HydrophobicContact CB-CD2 4.42Å; F29-W46 HydrophobicContact CB-CG 4.39Å; F29-W46 HydrophobicContact CB-CZ2 4.44Å; F29-W46 AromaticContact CD2-CD2 3.47Å; F29-W46 HydrophobicContact CD2-CD2 3.47Å; F29-W46 VanDerWaalsContact CD2-CD2 3.47Å; F29-W46 AromaticContact CD2-CE2 3.61Å; F29-W46 AromaticContact CD2-CE3 3.75Å; F29-W46 HydrophobicContact CD2-CE3 3.75Å; F29-W46 AromaticContact CD2-CG 3.88Å; F29-W46 HydrophobicContact CD2-CG 3.88Å; F29-W46 HydrophobicContact CD2-CH2 4.25Å; F29-W46 AromaticContact CD2-CZ2 3.99Å; F29-W46 HydrophobicContact CD2-CZ2 3.99Å; F29-W46 HydrophobicContact CD2-CZ3 4.14Å; F29-W46 AromaticContact CE2-CD2 3.94Å; F29-W46 HydrophobicContact CE2-CD2 3.94Å; F29-W46 AromaticContact CE2-CE3 3.83Å; F29-W46 HydrophobicContact CE2-CE3 3.83Å; F29-W46 HydrophobicContact CE2-CG 4.31Å; F29-W46 HydrophobicContact CE2-CZ3 4.3Å; F29-W46 HydrophobicContact CG-CD2 4.07Å; F29-W46 HydrophobicContact CG-CG 4.05Å; F29-W46 AromaticContact CG-NE1 4Å; F29-I48 HydrophobicContact CE1-CD1 3.94Å; F29-I48 HydrophobicContact CZ-CD1 4.44Å; F29-L58 HydrophobicContact CE1-CD1 3.9Å; F29-L58 HydrophobicContact CZ-CD1 3.8Å; F29-V114 HydrophobicContact CE2-CB 4.21Å; F29-V114 HydrophobicContact CE2-CG1 3.86Å; F29-V114 HydrophobicContact CZ-CB 4.11Å; F29-V114 HydrophobicContact CZ-CG1 4.06Å; F29-V114 HydrophobicContact CZ-CG2 3.99Å; F29-F129 AromaticContact CD2-CE2 3.75Å; F29-F129 HydrophobicContact CD2-CE2 3.75Å; F29-F129 HydrophobicContact CD2-CZ 4.26Å; F29-F129 AromaticContact CE2-CE2 3.73Å; F29-F129 HydrophobicContact CE2-CE2 3.73Å; F29-F129 HydrophobicContact CE2-CZ 4.32Å; F29-A131 HydrophobicContact CD1-CB 4.41Å; F29-A131 HydrophobicContact CD2-CB 4.24Å; F29-A131 HydrophobicContact CE1-CB 3.97Å; F29-A131 HydrophobicContact CE2-CB 3.79Å; F29-A131 HydrophobicContact CZ-CB 3.62Å; F29-A131 PolarHBondContact N-O 3.13Å; F29-A131 PolarHBondContact O-N 2.81Å; F29-Y133 HydrophobicContact CD1-CD1 4.44Å; F29-Y133 HydrophobicContact CE1-CD1 4.27Å
30	A	97.9	Very high	95.5	Very high	31 Å²	31	60.6 Å²	60.6	26%	0.256	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.1	-175.3	0	0	0	0	0	110.1	F34 W46 F129	A30-F34 HydrophobicContact CB-CB 3.73Å; A30-F34 HydrophobicContact CB-CD1 4.04Å; A30-F34 HydrophobicContact CB-CG 3.92Å; A30-W46 WeakPolarHBondContact O-CZ2 3.37Å; A30-F129 WeakPolarHBondContact CA-O 3.47Å; A30-F129 VanDerWaalsContact CB-O 3.26Å; A30-F129 WeakPolarHBondContact CB-O 3.05Å
31	S	97	Very high	95.5	Very high	4 Å²	4	64 Å²	64	3%	0.028	37%	0.367	C	S	.	.			trans	-58.3	149.2	170.2	49.4	0	0	0	0	111.3	G33 F34 G128 F129	S31-G33 PolarHBondContact O-N 2.89Å; S31-F34 VanDerWaalsContact O-CB 3.29Å; S31-F34 WeakPolarHBondContact O-CB 3.5Å; S31-F34 PolarHBondContact O-N 2.95Å; S31-F34 VanDerWaalsContact O-N 3.1Å; S31-G128 WeakPolarHBondContact OG-CA 3.49Å; S31-F129 PolarHBondContact N-O 2.78Å; S31-F129 VanDerWaalsContact N-O 3.08Å; S31-F129 PolarHBondContact OG-N 2.93Å
32	P	95.5	Very high	95.4	Very high	35 Å²	35	60.3 Å²	60.3	23%	0.227	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.8	175.7	-24	33.8	0	0	0	111.2	F34 Y38 P39 V44	P32-F34 VanDerWaalsContact C-N 3.33Å; P32-F34 PolarHBondContact O-N 3.14Å; P32-Y38 WeakPolarHBondContact O-CA 3.39Å; P32-P39 HydrophobicContact CB-CG 4.47Å; P32-P39 WeakPolarHBondContact O-CD 3.28Å; P32-V44 HydrophobicContact CG-CG2 3.91Å
33	G	93.3	Very high	95.4	Very high	52 Å²	52	62.3 Å²	62.3	54%	0.536	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-4.3	179.3	0	0	0	0	0	115.8	S31 Q36	S31-G33 PolarHBondContact O-N 2.89Å; G33-Q36 WeakPolarHBondContact O-CA 3.4Å; G33-Q36 VanDerWaalsContact O-CB 3.29Å; G33-Q36 WeakPolarHBondContact O-CB 3.25Å; G33-Q36 PolarHBondContact O-N 2.84Å
34	F	96.1	Very high	95.5	Very high	53 Å²	53	57.1 Å²	57.1	23%	0.232	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	132.9	177.9	-174.9	-92.1	0	0	0	111.8	A30 S31 P32 H62 T127 Q130	A30-F34 HydrophobicContact CB-CB 3.73Å; A30-F34 HydrophobicContact CB-CD1 4.04Å; A30-F34 HydrophobicContact CB-CG 3.92Å; S31-F34 VanDerWaalsContact O-CB 3.29Å; S31-F34 WeakPolarHBondContact O-CB 3.5Å; S31-F34 PolarHBondContact O-N 2.95Å; S31-F34 VanDerWaalsContact O-N 3.1Å; P32-F34 VanDerWaalsContact C-N 3.33Å; P32-F34 PolarHBondContact O-N 3.14Å; F34-H62 HydrophobicContact CE2-CB 4.21Å; F34-H62 AromaticContact CE2-CG 3.8Å; F34-H62 AromaticContact CE2-ND1 3.52Å; F34-H62 HydrophobicContact CZ-CB 4.11Å; F34-T127 WeakPolarHBondContact CD2-O 3.16Å; F34-Q130 HydrophobicContact CD1-CB 4.39Å; F34-Q130 HydrophobicContact CE1-CB 3.83Å; F34-Q130 HydrophobicContact CE1-CG 4.26Å; F34-Q130 HydrophobicContact CE2-CB 4.31Å; F34-Q130 HydrophobicContact CZ-CB 3.8Å
35	P	96.5	Very high	96	Very high	84 Å²	84	57.2 Å²	57.2	55%	0.545	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89	8	12.1	36.7	-37.9	0	0	0	115.7
36	Q	95.8	Very high	96.2	Very high	130 Å²	130	53.6 Å²	53.6	61%	0.607	30%	0.303	S	S	*	.	S	Bend	trans	-78.4	163.2	174.6	-58.5	-57.7	-40.7	0	0	111.1	G33 Y38	G33-Q36 WeakPolarHBondContact O-CA 3.4Å; G33-Q36 VanDerWaalsContact O-CB 3.29Å; G33-Q36 WeakPolarHBondContact O-CB 3.25Å; G33-Q36 PolarHBondContact O-N 2.84Å; Q36-Y38 PolarHBondContact O-N 3.34Å
37	P	96.2	Very high	96.2	Very high	48 Å²	48	47.3 Å²	47.3	31%	0.312	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-52.9	136.2	174.9	-26.2	34.8	0	0	0	113	G124 F126	P37-G124 WeakPolarHBondContact CB-O 3.31Å; P37-G124 WeakPolarHBondContact CG-O 3.26Å; P37-F126 WeakPolarHBondContact CA-O 3.37Å
38	Y	95.4	Very high	96.2	Very high	6 Å²	6	46.6 Å²	46.6	2%	0.024	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-75.2	153.1	-178.7	59	-96.3	0	0	0	111.4	P32 Q36 L65 E66 D74 F116 N122 F126 G128	P32-Y38 WeakPolarHBondContact O-CA 3.39Å; Q36-Y38 PolarHBondContact O-N 3.34Å; Y38-L65 HydrophobicContact CD1-CD2 4.09Å; Y38-L65 HydrophobicContact CE1-CD2 3.39Å; Y38-E66 PolarHBondContact OH-N 2.98Å; Y38-D74 WeakPolarHBondContact CE2-OD2 3.44Å; Y38-D74 PolarHBondContact OH-OD2 2.87Å; Y38-F116 HydrophobicContact CD1-CZ 4.28Å; Y38-F116 HydrophobicContact CD2-CE1 4.26Å; Y38-F116 AromaticContact CD2-CZ 3.6Å; Y38-F116 HydrophobicContact CD2-CZ 3.6Å; Y38-F116 AromaticContact CE2-CZ 3.88Å; Y38-F116 HydrophobicContact CE2-CZ 3.88Å; Y38-F116 HydrophobicContact CG-CE1 4.39Å; Y38-F116 AromaticContact CG-CZ 3.81Å; Y38-F116 HydrophobicContact CG-CZ 3.81Å; Y38-N122 HydrophobicContact CE2-CB 4.17Å; Y38-N122 WeakPolarHBondContact CE2-ND2 3.5Å; Y38-N122 PolarHBondContact OH-OD1 3.4Å; Y38-F126 HydrophobicContact CD1-CB 4.36Å; Y38-F126 WeakPolarHBondContact CD1-O 3.25Å; Y38-F126 HydrophobicContact CE1-CB 3.42Å; Y38-F126 VanDerWaalsContact CE1-CB 3.42Å; Y38-F126 WeakPolarHBondContact CE1-O 3.47Å; Y38-F126 PolarHBondContact N-O 3.31Å; Y38-G128 VanDerWaalsContact CD1-CA 3.5Å
39	P	94.5	Very high	96.2	Very high	60 Å²	60	45.9 Å²	45.9	39%	0.39	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-72.7	159.3	178.3	-15	29.5	0	0	0	113.4	P32 Q42 S118	P32-P39 HydrophobicContact CB-CG 4.47Å; P32-P39 WeakPolarHBondContact O-CD 3.28Å; P39-Q42 HydrophobicContact CB-CG 4.09Å; P39-Q42 HydrophobicContact CG-CG 4.47Å; P39-Q42 WeakPolarHBondContact O-CG 3.32Å; P39-S118 PolarHBondContact O-OG 3.35Å
40	D	94.6	Very high	96.2	Very high	60 Å²	60	45.4 Å²	45.4	32%	0.321	27%	0.265	S	S	.	.	S	Bend	trans	-72.3	161.9	170.5	-55.5	-44.1	0	0	0	112	Q42 D119 N122	D40-Q42 VanDerWaalsContact C-N 3.31Å; D40-Q42 PolarHBondContact O-N 3Å; D40-Q42 PolarHBondContact O-NE2 3.47Å; D40-D119 CarbonylContact C-O 3.24Å; D40-N122 VanDerWaalsContact OD1-CB 3.29Å; D40-N122 WeakPolarHBondContact OD1-CB 3.21Å; D40-N122 PolarHBondContact OD1-N 2.66Å; D40-N122 PolarHBondContact OD1-ND2 2.92Å
41	N	94.1	Very high	96.1	Very high	106 Å²	106	46.5 Å²	46.5	57%	0.567	27%	0.27	S	S	*	.	S	Bend	trans	56.3	37.5	174.3	-57.7	-75	0	0	0	114.1	S118 D119 Y120	N41-S118 WeakPolarHBondContact CA-O 3.45Å; N41-S118 PolarHBondContact N-OG 3.02Å; N41-D119 PolarHBondContact N-O 3.46Å; N41-Y120 WeakPolarHBondContact OD1-CA 3.4Å
42	Q	94.3	Very high	96	Very high	50 Å²	50	53.7 Å²	53.7	23%	0.234	30%	0.302	C	S	.	.			trans	-89.8	142.4	178.8	-58	-58.9	-61.6	0	0	111	P39 D40 F116 R117 S118	P39-Q42 HydrophobicContact CB-CG 4.09Å; P39-Q42 HydrophobicContact CG-CG 4.47Å; P39-Q42 WeakPolarHBondContact O-CG 3.32Å; D40-Q42 VanDerWaalsContact C-N 3.31Å; D40-Q42 PolarHBondContact O-N 3Å; D40-Q42 PolarHBondContact O-NE2 3.47Å; Q42-F116 HydrophobicContact CB-CD1 4.39Å; Q42-F116 HydrophobicContact CB-CE1 4.06Å; Q42-R117 WeakPolarHBondContact O-CA 3.36Å; Q42-S118 WeakPolarHBondContact CB-OG 2.99Å; Q42-S118 PolarHBondContact N-OG 3.32Å; Q42-S118 PolarHBondContact O-N 2.03Å
43	L	96	Very high	95.9	Very high	76 Å²	76	52.9 Å²	52.9	40%	0.398	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	106.6	165	179.5	63.3	0	0	0	108	S17 L18 V115 F116 R117	S17-L43 WeakPolarHBondContact CA-O 3.25Å; L18-L43 PolarHBondContact N-O 2.86Å; L18-L43 VanDerWaalsContact N-O 3.09Å; L43-V115 HydrophobicContact CD1-CG1 3.8Å; L43-F116 WeakPolarHBondContact CA-O 3.45Å; L43-R117 HydrophobicContact CD1-CB 4.5Å
44	V	97	Very high	96	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.6	-178.2	-169.2	0	0	0	0	109.5	L18 P32 W46 V115 F116	L18-V44 HydrophobicContact CB-CG1 4.32Å; L18-V44 HydrophobicContact CB-CG2 4.48Å; L18-V44 HydrophobicContact CD2-CG1 4.37Å; L18-V44 CarbonylContact O-C 3.54Å; L18-V44 VanDerWaalsContact O-CA 3.31Å; L18-V44 WeakPolarHBondContact O-CA 3.49Å; P32-V44 HydrophobicContact CG-CG2 3.91Å; V44-W46 HydrophobicContact CB-CH2 3.71Å; V44-W46 HydrophobicContact CB-CZ2 4.17Å; V44-W46 HydrophobicContact CB-CZ3 4.02Å; V44-W46 HydrophobicContact CG1-CD2 4.21Å; V44-W46 HydrophobicContact CG1-CE3 4.27Å; V44-W46 HydrophobicContact CG1-CH2 3.42Å; V44-W46 VanDerWaalsContact CG1-CH2 3.42Å; V44-W46 HydrophobicContact CG1-CZ2 3.35Å; V44-W46 HydrophobicContact CG1-CZ3 3.9Å; V44-V115 CarbonylContact O-C 3.6Å; V44-V115 WeakPolarHBondContact O-CA 3.49Å; V44-F116 HydrophobicContact CB-CB 4.39Å; V44-F116 HydrophobicContact CG2-CD1 4.38Å; V44-F116 PolarHBondContact N-O 2.95Å; V44-F116 PolarHBondContact O-N 3.31Å
45	V	97.7	Very high	96	Very high	33 Å²	33	52.7 Å²	52.7	20%	0.2	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.6	-178.6	-175.8	0	0	0	0	109	L18 S19 A20 V114 V115	L18-V45 PolarHBondContact O-N 3.03Å; S19-V45 CarbonylContact C-O 3.55Å; S19-V45 WeakPolarHBondContact CA-O 3.16Å; A20-V45 PolarHBondContact N-O 2.81Å; V45-V114 CarbonylContact C-O 3.55Å; V45-V114 WeakPolarHBondContact CA-O 3.36Å; V45-V115 HydrophobicContact CG1-CG2 4.28Å; V45-V115 HydrophobicContact CG2-CG1 4.31Å; V45-V115 HydrophobicContact CG2-CG2 4.22Å
46	W	98.1	Very high	96.1	Very high	20 Å²	20	48.7 Å²	48.7	8%	0.076	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.2	169.2	-61.8	-89.6	0	0	0	109.2	A20 M22 F29 A30 V44 S113 V114 F116 F129	A20-W46 WeakPolarHBondContact O-CA 3.25Å; M22-W46 HydrophobicContact SD-CB 4.09Å; M22-W46 HydrophobicContact SD-CG 4.16Å; F29-W46 HydrophobicContact CB-CD2 4.42Å; F29-W46 HydrophobicContact CB-CG 4.39Å; F29-W46 HydrophobicContact CB-CZ2 4.44Å; F29-W46 AromaticContact CD2-CD2 3.47Å; F29-W46 HydrophobicContact CD2-CD2 3.47Å; F29-W46 VanDerWaalsContact CD2-CD2 3.47Å; F29-W46 AromaticContact CD2-CE2 3.61Å; F29-W46 AromaticContact CD2-CE3 3.75Å; F29-W46 HydrophobicContact CD2-CE3 3.75Å; F29-W46 AromaticContact CD2-CG 3.88Å; F29-W46 HydrophobicContact CD2-CG 3.88Å; F29-W46 HydrophobicContact CD2-CH2 4.25Å; F29-W46 AromaticContact CD2-CZ2 3.99Å; F29-W46 HydrophobicContact CD2-CZ2 3.99Å; F29-W46 HydrophobicContact CD2-CZ3 4.14Å; F29-W46 AromaticContact CE2-CD2 3.94Å; F29-W46 HydrophobicContact CE2-CD2 3.94Å; F29-W46 AromaticContact CE2-CE3 3.83Å; F29-W46 HydrophobicContact CE2-CE3 3.83Å; F29-W46 HydrophobicContact CE2-CG 4.31Å; F29-W46 HydrophobicContact CE2-CZ3 4.3Å; F29-W46 HydrophobicContact CG-CD2 4.07Å; F29-W46 HydrophobicContact CG-CG 4.05Å; F29-W46 AromaticContact CG-NE1 4Å; A30-W46 WeakPolarHBondContact O-CZ2 3.37Å; V44-W46 HydrophobicContact CB-CH2 3.71Å; V44-W46 HydrophobicContact CB-CZ2 4.17Å; V44-W46 HydrophobicContact CB-CZ3 4.02Å; V44-W46 HydrophobicContact CG1-CD2 4.21Å; V44-W46 HydrophobicContact CG1-CE3 4.27Å; V44-W46 HydrophobicContact CG1-CH2 3.42Å; V44-W46 VanDerWaalsContact CG1-CH2 3.42Å; V44-W46 HydrophobicContact CG1-CZ2 3.35Å; V44-W46 HydrophobicContact CG1-CZ3 3.9Å; W46-S113 CarbonylContact O-C 3.54Å; W46-S113 WeakPolarHBondContact O-CA 3.38Å; W46-V114 HydrophobicContact CE3-CB 4.37Å; W46-V114 HydrophobicContact CE3-CG1 4.31Å; W46-V114 PolarHBondContact N-O 3.47Å; W46-V114 PolarHBondContact O-N 2.63Å; W46-F116 HydrophobicContact CH2-CB 3.99Å; W46-F116 HydrophobicContact CZ3-CB 3.63Å; W46-F129 HydrophobicContact CH2-CE1 4.37Å; W46-F129 AromaticContact CH2-CZ 3.6Å; W46-F129 HydrophobicContact CH2-CZ 3.6Å; W46-F129 HydrophobicContact CZ2-CZ 4.47Å; W46-F129 AromaticContact CZ3-CZ 3.75Å; W46-F129 HydrophobicContact CZ3-CZ 3.75Å
47	N	97.6	Very high	96.1	Very high	48 Å²	48	44.8 Å²	44.8	26%	0.257	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.7	173.3	-68.8	-30.7	0	0	0	108.3	A20 E21 M22 S113	A20-N47 PolarHBondContact O-N 2.71Å; E21-N47 WeakPolarHBondContact OE1-CB 3.45Å; E21-N47 PolarHBondContact OE1-ND2 3.02Å; E21-N47 VanDerWaalsContact OE2-CB 3.28Å; E21-N47 WeakPolarHBondContact OE2-CB 3.49Å; M22-N47 PolarHBondContact N-O 3.01Å; N47-S113 PolarHBondContact OD1-OG 2.82Å
48	I	98	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.5	-175.1	-51.2	169.3	0	0	0	108.1	M22 F29 I56 V111 M112 V114 Y133	M22-I48 HydrophobicContact CB-CG1 4.24Å; M22-I48 WeakPolarHBondContact O-CA 3.4Å; M22-I48 HydrophobicContact SD-CG1 4.32Å; F29-I48 HydrophobicContact CE1-CD1 3.94Å; F29-I48 HydrophobicContact CZ-CD1 4.44Å; I48-I56 HydrophobicContact CB-CD1 4.02Å; I48-I56 HydrophobicContact CG2-CD1 3.72Å; I48-I56 HydrophobicContact CG2-CG1 4.32Å; I48-I56 HydrophobicContact CG2-CG2 4.37Å; I48-I56 VanDerWaalsContact O-CD1 3.31Å; I48-I56 WeakPolarHBondContact O-CD1 3.39Å; I48-V111 WeakPolarHBondContact O-CA 3.4Å; I48-M112 WeakPolarHBondContact CA-O 3.08Å; I48-M112 WeakPolarHBondContact CB-O 3.42Å; I48-M112 PolarHBondContact N-O 3.03Å; I48-M112 PolarHBondContact O-N 2.86Å; I48-V114 HydrophobicContact CD1-CG2 4.29Å; I48-Y133 HydrophobicContact CD1-CD1 3.85Å; I48-Y133 HydrophobicContact CD1-CE1 4.31Å; I48-Y133 HydrophobicContact CD1-CG 4.13Å; I48-Y133 HydrophobicContact CG1-CD1 4.43Å; I48-Y133 HydrophobicContact CG1-CE1 4.41Å; I48-Y133 HydrophobicContact CG2-CD1 4.19Å; I48-Y133 HydrophobicContact CG2-CD2 3.69Å; I48-Y133 HydrophobicContact CG2-CE1 4.02Å; I48-Y133 HydrophobicContact CG2-CE2 3.54Å; I48-Y133 HydrophobicContact CG2-CG 4.03Å
49	T	97.4	Very high	96.2	Very high	51 Å²	51	46.2 Å²	46.2	31%	0.313	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.6	175.3	-55.6	0	0	0	0	109.9	M22 T23 N110	M22-T49 PolarHBondContact O-N 3.25Å; T23-T49 WeakPolarHBondContact CA-O 3.32Å; T49-N110 WeakPolarHBondContact CA-O 3.46Å
50	A	96.7	Very high	96.3	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.033	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-82.5	164.3	170.8	0	0	0	0	0	110.9	H54 I56 N110	A50-H54 HydrophobicContact CB-CB 4.17Å; A50-I56 HydrophobicContact CB-CD1 4.27Å; A50-I56 HydrophobicContact CB-CG1 3.71Å; A50-N110 HydrophobicContact CB-CB 4.28Å; A50-N110 PolarHBondContact N-O 3Å; A50-N110 PolarHBondContact O-ND2 3.28Å
51	P	96.1	Very high	96.3	Very high	53 Å²	53	44.4 Å²	44.4	34%	0.344	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-55.9	155.6	171.4	-23.4	34.6	0	0	0	112.3	L25 H54	L25-P51 HydrophobicContact CD2-CG 3.74Å; P51-H54 WeakPolarHBondContact O-CB 3.22Å; P51-H54 PolarHBondContact O-N 3.01Å
52	H	94.3	Very high	96.3	Very high	155 Å²	155	42.3 Å²	42.3	72%	0.718	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	148.4	171.5	-70.5	-72.6	0	0	0	111.3	H54	H52-H54 PolarHBondContact O-N 3.45Å; H52-H54 PolarHBondContact O-ND1 2.77Å; H52-H54 VanDerWaalsContact O-ND1 3.15Å
53	G	94.1	Very high	96.4	Very high	19 Å²	19	40.2 Å²	40.2	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	5	-174.8	0	0	0	0	0	114.5	I138	G53-I138 WeakPolarHBondContact O-CB 3.48Å; G53-I138 PolarHBondContact O-N 3.38Å
54	H	96	Very high	96.3	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.065	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	159.7	175.6	-65.4	61.7	0	0	0	111.4	A50 P51 H52 G109 N110 E136	A50-H54 HydrophobicContact CB-CB 4.17Å; P51-H54 WeakPolarHBondContact O-CB 3.22Å; P51-H54 PolarHBondContact O-N 3.01Å; H52-H54 PolarHBondContact O-N 3.45Å; H52-H54 PolarHBondContact O-ND1 2.77Å; H52-H54 VanDerWaalsContact O-ND1 3.15Å; H54-G109 CarbonylContact O-C 3.6Å; H54-N110 WeakPolarHBondContact O-CA 3.42Å; H54-N110 VanDerWaalsContact O-CB 3.27Å; H54-N110 WeakPolarHBondContact O-CB 3.31Å; H54-E136 CarbonylContact C-O 3.6Å; H54-E136 VanDerWaalsContact CA-O 3.23Å; H54-E136 WeakPolarHBondContact CA-O 3.39Å; H54-E136 WeakPolarHBondContact CB-O 3.33Å
55	R	95.8	Very high	96.2	Very high	87 Å²	87	36.8 Å²	36.8	33%	0.328	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	157.1	166.8	62.5	-179.4	-172.8	-175.8	3.7	110.9	M106 S107 G109 S135 E136 I138	R55-M106 VanDerWaalsContact CZ-SD 3.57Å; R55-S107 WeakPolarHBondContact CB-O 3.33Å; R55-G109 WeakPolarHBondContact CA-O 3.42Å; R55-S135 CarbonylContact O-C 3.57Å; R55-S135 VanDerWaalsContact O-CA 3.3Å; R55-S135 WeakPolarHBondContact O-CA 3.29Å; R55-E136 HydrophobicContact CG-CB 4.24Å; R55-E136 IonicContact CZ-OE2 3.57Å; R55-E136 PolarHBondContact N-O 3.45Å; R55-E136 IonicContact NE-OE2 2.64Å; R55-E136 IonicContact NH2-OE2 2.8Å; R55-E136 PolarHBondContact NH2-OE2 3.45Å; R55-E136 PolarHBondContact O-N 2.94Å; R55-I138 HydrophobicContact CB-CD1 4.17Å; R55-I138 HydrophobicContact CB-CG1 4.02Å; R55-I138 HydrophobicContact CG-CG1 4.1Å
56	I	97.6	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.7	-179.1	-63.1	161.9	0	0	0	109	I48 A50 M106 S107 N110 M112 Y133	I48-I56 HydrophobicContact CB-CD1 4.02Å; I48-I56 HydrophobicContact CG2-CD1 3.72Å; I48-I56 HydrophobicContact CG2-CG1 4.32Å; I48-I56 HydrophobicContact CG2-CG2 4.37Å; I48-I56 VanDerWaalsContact O-CD1 3.31Å; I48-I56 WeakPolarHBondContact O-CD1 3.39Å; A50-I56 HydrophobicContact CB-CD1 4.27Å; A50-I56 HydrophobicContact CB-CG1 3.71Å; I56-M106 CarbonylContact O-C 3.58Å; I56-M106 VanDerWaalsContact O-CA 3.28Å; I56-M106 WeakPolarHBondContact O-CA 3.42Å; I56-S107 PolarHBondContact N-OG 2.84Å; I56-S107 PolarHBondContact O-N 2.82Å; I56-N110 WeakPolarHBondContact CD1-O 3.47Å; I56-M112 HydrophobicContact CB-CB 4.31Å; I56-M112 HydrophobicContact CB-CE 4.02Å; I56-M112 HydrophobicContact CD1-CB 3.65Å; I56-M112 HydrophobicContact CG2-CB 4.26Å; I56-M112 HydrophobicContact CG2-CE 3.84Å; I56-M112 HydrophobicContact CG2-SD 3.86Å; I56-Y133 HydrophobicContact CG2-CD2 4.39Å
57	K	97.1	Very high	95.7	Very high	47 Å²	47	38.6 Å²	38.6	20%	0.204	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.5	171.9	177.6	176.8	179.8	177.9	0	108.8	I104 I105 M106 Y133 T134 E136	K57-I104 HydrophobicContact CD-CG2 3.93Å; K57-I104 HydrophobicContact CG-CG2 3.46Å; K57-I104 VanDerWaalsContact CG-CG2 3.46Å; K57-I105 CarbonylContact C-O 3.54Å; K57-I105 WeakPolarHBondContact CA-O 3.41Å; K57-M106 HydrophobicContact CD-CE 4.19Å; K57-M106 HydrophobicContact CG-CE 4.48Å; K57-Y133 CarbonylContact O-C 3.58Å; K57-Y133 WeakPolarHBondContact O-CA 3.42Å; K57-T134 WeakPolarHBondContact CB-O 3.38Å; K57-T134 PolarHBondContact N-O 3.07Å; K57-T134 PolarHBondContact O-N 2.71Å; K57-E136 HydrophobicContact CB-CG 4.49Å; K57-E136 HydrophobicContact CD-CG 4.37Å; K57-E136 WeakPolarHBondContact CD-OE1 3.26Å; K57-E136 IonicContact NZ-OE1 3.05Å; K57-E136 PolarHBondContact NZ-OE1 2.04Å
58	L	97.6	Very high	95.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.5	-179.1	176.6	72.9	0	0	0	110	F29 F60 V78 I105 M112 V114 A131	F29-L58 HydrophobicContact CE1-CD1 3.9Å; F29-L58 HydrophobicContact CZ-CD1 3.8Å; L58-F60 HydrophobicContact CD2-CE2 4.11Å; L58-F60 HydrophobicContact CD2-CZ 4.18Å; L58-F60 HydrophobicContact CG-CE2 4.31Å; L58-V78 HydrophobicContact CD2-CG1 4.14Å; L58-V78 HydrophobicContact CD2-CG2 4.05Å; L58-I105 HydrophobicContact CB-CB 4.3Å; L58-I105 HydrophobicContact CD2-CD1 4.23Å; L58-I105 PolarHBondContact N-O 3.1Å; L58-I105 PolarHBondContact O-N 3.07Å; L58-M112 HydrophobicContact CB-CE 4.27Å; L58-M112 HydrophobicContact CB-SD 3.74Å; L58-M112 HydrophobicContact CD2-SD 3.79Å; L58-M112 HydrophobicContact CG-SD 4.34Å; L58-V114 HydrophobicContact CD2-CG2 3.8Å; L58-A131 HydrophobicContact CD1-CB 4.14Å
59	Y	96.4	Very high	95	Very high	85 Å²	85	43.5 Å²	43.5	33%	0.333	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.9	170.9	61.7	-83.7	0	0	0	110.6	T61 A131 F132	Y59-T61 HydrophobicContact CD2-CG2 4.13Å; Y59-T61 HydrophobicContact CE2-CG2 3.84Å; Y59-A131 WeakPolarHBondContact O-CA 3.48Å; Y59-F132 HydrophobicContact CD2-CB 4.45Å; Y59-F132 HydrophobicContact CE1-CB 3.87Å; Y59-F132 HydrophobicContact CE2-CB 3.82Å; Y59-F132 HydrophobicContact CE2-CD2 4.24Å; Y59-F132 HydrophobicContact CE2-CG 4.3Å; Y59-F132 VanDerWaalsContact CZ-CB 3.49Å; Y59-F132 PolarHBondContact N-O 2.7Å; Y59-F132 PolarHBondContact O-N 3.23Å
60	F	96.1	Very high	94.6	Very high	9 Å²	9	48.6 Å²	48.6	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.7	178.4	-63.1	-96	0	0	0	108.9	L58 F63 I76 P100 I105 F129 Q130 A131	L58-F60 HydrophobicContact CD2-CE2 4.11Å; L58-F60 HydrophobicContact CD2-CZ 4.18Å; L58-F60 HydrophobicContact CG-CE2 4.31Å; F60-F63 AromaticContact CD1-CD2 3.92Å; F60-F63 HydrophobicContact CD1-CD2 3.92Å; F60-F63 HydrophobicContact CD1-CE2 4.37Å; F60-F63 HydrophobicContact CE1-CD2 4.38Å; F60-F63 HydrophobicContact CE1-CE2 4.38Å; F60-F63 HydrophobicContact CG-CD2 4.22Å; F60-I76 HydrophobicContact CE1-CG2 4.38Å; F60-I76 HydrophobicContact CZ-CG2 3.91Å; F60-P100 HydrophobicContact CB-CG 4.08Å; F60-P100 HydrophobicContact CD2-CB 3.69Å; F60-P100 HydrophobicContact CD2-CG 3.72Å; F60-P100 HydrophobicContact CE2-CB 4.23Å; F60-P100 HydrophobicContact CE2-CG 4.38Å; F60-P100 HydrophobicContact CG-CB 4.36Å; F60-P100 HydrophobicContact CG-CG 3.91Å; F60-I105 HydrophobicContact CE2-CD1 4.04Å; F60-F129 HydrophobicContact CD1-CB 4.21Å; F60-F129 AromaticContact CD1-CD2 3.88Å; F60-F129 HydrophobicContact CD1-CD2 3.88Å; F60-F129 HydrophobicContact CD1-CG 4.36Å; F60-F129 AromaticContact CE1-CD2 3.68Å; F60-F129 HydrophobicContact CE1-CD2 3.68Å; F60-F129 HydrophobicContact CE1-CE2 4.2Å; F60-F129 HydrophobicContact CE1-CG 4.27Å; F60-Q130 WeakPolarHBondContact CA-O 3.03Å; F60-A131 HydrophobicContact CD1-CB 3.68Å; F60-A131 HydrophobicContact CE1-CB 3.66Å; F60-A131 HydrophobicContact CG-CB 4.4Å; F60-A131 HydrophobicContact CZ-CB 4.34Å
61	T	94.5	Very high	94.4	Very high	72 Å²	72	48.5 Å²	48.5	44%	0.442	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-15.1	174	55	0	0	0	0	112.2	Y59 Q130 F132	Y59-T61 HydrophobicContact CD2-CG2 4.13Å; Y59-T61 HydrophobicContact CE2-CG2 3.84Å; T61-Q130 PolarHBondContact N-O 2.91Å; T61-Q130 PolarHBondContact OG1-O 2.87Å; T61-Q130 PolarHBondContact OG1-OE1 2.84Å; T61-F132 HydrophobicContact CG2-CD2 3.62Å; T61-F132 HydrophobicContact CG2-CE2 3.68Å; T61-F132 WeakPolarHBondContact OG1-CE2 3.38Å
62	H	94.9	Very high	94.3	Very high	62 Å²	62	52.5 Å²	52.5	29%	0.287	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	138.4	175.1	179.1	-77.3	0	0	0	109.1	F34 T127 G128 F129 Q130	F34-H62 HydrophobicContact CE2-CB 4.21Å; F34-H62 AromaticContact CE2-CG 3.8Å; F34-H62 AromaticContact CE2-ND1 3.52Å; F34-H62 HydrophobicContact CZ-CB 4.11Å; H62-T127 PolarHBondContact CE1-OG1 3.08Å; H62-T127 PolarHBondContact NE2-OG1 2.95Å; H62-G128 PolarHBondContact CE1-O 3.23Å; H62-G128 PolarHBondContact ND1-O 2.7Å; H62-F129 WeakPolarHBondContact O-CA 3Å; H62-F129 WeakPolarHBondContact O-CB 3.47Å; H62-Q130 HydrophobicContact CB-CB 4.23Å; H62-Q130 PolarHBondContact O-N 3.35Å
63	F	95.2	Very high	94.3	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	113.8	178.2	-159.4	-86.3	0	0	0	112.9	F60 L65 I76 F88 G90 E92 T99 P100 F129	F60-F63 AromaticContact CD1-CD2 3.92Å; F60-F63 HydrophobicContact CD1-CD2 3.92Å; F60-F63 HydrophobicContact CD1-CE2 4.37Å; F60-F63 HydrophobicContact CE1-CD2 4.38Å; F60-F63 HydrophobicContact CE1-CE2 4.38Å; F60-F63 HydrophobicContact CG-CD2 4.22Å; F63-L65 HydrophobicContact CE1-CB 4.26Å; F63-L65 HydrophobicContact CE1-CD1 4.04Å; F63-L65 HydrophobicContact CE1-CG 4.05Å; F63-L65 HydrophobicContact CE2-CD1 4.14Å; F63-L65 HydrophobicContact CZ-CD1 3.53Å; F63-L65 HydrophobicContact CZ-CG 4Å; F63-I76 HydrophobicContact CE2-CB 4.3Å; F63-I76 HydrophobicContact CE2-CG1 4.01Å; F63-I76 HydrophobicContact CZ-CG1 4.42Å; F63-F88 HydrophobicContact CE1-CB 4.31Å; F63-F88 HydrophobicContact CE2-CB 4.14Å; F63-F88 HydrophobicContact CZ-CB 3.58Å; F63-G90 WeakPolarHBondContact CD1-O 3.38Å; F63-E92 HydrophobicContact CB-CG 4.4Å; F63-T99 HydrophobicContact CD1-CG2 4.09Å; F63-T99 HydrophobicContact CE1-CG2 4.33Å; F63-P100 HydrophobicContact CB-CG 4.18Å; F63-P100 HydrophobicContact CD1-CG 4.27Å; F63-P100 HydrophobicContact CD2-CG 3.44Å; F63-P100 VanDerWaalsContact CD2-CG 3.44Å; F63-P100 HydrophobicContact CE2-CG 3.78Å; F63-P100 HydrophobicContact CG-CG 3.7Å; F63-P100 HydrophobicContact CZ-CG 4.32Å; F63-F129 HydrophobicContact CD2-CB 3.92Å; F63-F129 HydrophobicContact CE2-CB 4.44Å
64	S	94.5	Very high	94.3	Very high	7 Å²	7	49.6 Å²	49.6	5%	0.049	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	104.1	172.7	172.1	0	0	0	0	108.5	E91 G128	S64-E91 PolarHBondContact OG-OE1 2.78Å; S64-G128 PolarHBondContact N-O 3.17Å; S64-G128 CarbonylContact O-C 3.59Å; S64-G128 WeakPolarHBondContact O-CA 3.34Å; S64-G128 PolarHBondContact O-N 3.11Å
65	L	94.8	Very high	94.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.236	C	C	.	.			trans	-127	161.5	175.1	-66.2	-174.9	0	0	0	110.2	Y38 F63 P67 I76 G90 F116	Y38-L65 HydrophobicContact CD1-CD2 4.09Å; Y38-L65 HydrophobicContact CE1-CD2 3.39Å; F63-L65 HydrophobicContact CE1-CB 4.26Å; F63-L65 HydrophobicContact CE1-CD1 4.04Å; F63-L65 HydrophobicContact CE1-CG 4.05Å; F63-L65 HydrophobicContact CE2-CD1 4.14Å; F63-L65 HydrophobicContact CZ-CD1 3.53Å; F63-L65 HydrophobicContact CZ-CG 4Å; L65-P67 WeakPolarHBondContact O-CD 3.48Å; L65-I76 HydrophobicContact CD1-CG1 3.91Å; L65-G90 PolarHBondContact N-O 3.01Å; L65-G90 CarbonylContact O-C 3.08Å; L65-G90 VanDerWaalsContact O-C 3.24Å; L65-G90 WeakPolarHBondContact O-CA 3.22Å; L65-G90 PolarHBondContact O-N 2.84Å; L65-F116 HydrophobicContact CD1-CE2 4.26Å; L65-F116 HydrophobicContact CD2-CE2 3.64Å; L65-F116 HydrophobicContact CD2-CZ 4.3Å
66	E	93.8	Very high	94.4	Very high	39 Å²	39	45.1 Å²	45.1	18%	0.182	22%	0.22	C	C	.	.			trans	-57.6	126.4	172.6	-169	-168.1	-156.2	0	0	111	Y38 Y73 D74 C89 F126	Y38-E66 PolarHBondContact OH-N 2.98Å; E66-Y73 VanDerWaalsContact OE2-CB 3.23Å; E66-Y73 WeakPolarHBondContact OE2-CB 3.15Å; E66-Y73 WeakPolarHBondContact OE2-CD2 3.42Å; E66-D74 HydrophobicContact CB-CB 3.97Å; E66-C89 WeakPolarHBondContact O-CB 3.04Å; E66-F126 HydrophobicContact CB-CD2 3.84Å; E66-F126 HydrophobicContact CB-CE2 3.53Å; E66-F126 HydrophobicContact CB-CZ 4.08Å; E66-F126 HydrophobicContact CG-CD2 4.48Å; E66-F126 HydrophobicContact CG-CE2 3.71Å; E66-F126 HydrophobicContact CG-CZ 4.09Å
67	P	92.1	Very high	94.4	Very high	52 Å²	52	47.1 Å²	47.1	34%	0.338	23%	0.229	S	C	.	.			trans	-82.1	135.5	176.2	31.3	-32.5	0	0	0	111.6	L65 N95	L65-P67 WeakPolarHBondContact O-CD 3.48Å; P67-N95 WeakPolarHBondContact CB-ND2 3.39Å
68	S	90.9	Very high	94.4	Very high	22 Å²	22	45 Å²	45	15%	0.154	22%	0.22	C	C	.	.			trans	-149.9	166.3	167.8	74.3	0	0	0	0	111.9	Q70 C71 E72 Y73	S68-Q70 PolarHBondContact O-N 3Å; S68-C71 PolarHBondContact O-N 3.24Å; S68-E72 PolarHBondContact OG-N 2.9Å; S68-Y73 VanDerWaalsContact CB-CD2 3.4Å; S68-Y73 PolarHBondContact OG-N 2.86Å; S68-Y73 VanDerWaalsContact OG-N 3.08Å
69	N	89.1	Confident	94.3	Very high	130 Å²	130	48.2 Å²	48.2	70%	0.695	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-61.1	123.2	-179.8	-175.7	49.9	0	0	0	110	C71 E72	N69-C71 PolarHBondContact O-N 3.49Å; N69-E72 PolarHBondContact O-N 3.17Å
70	Q	88.9	Confident	94.1	Very high	157 Å²	157	44.7 Å²	44.7	73%	0.734	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	54.2	22.5	-174.9	-56.5	-178.1	-32.2	0	0	114.5	S68 E72 R87	S68-Q70 PolarHBondContact O-N 3Å; Q70-E72 VanDerWaalsContact C-N 3.33Å; Q70-E72 PolarHBondContact O-N 3.23Å; Q70-R87 WeakPolarHBondContact O-CD 3.18Å
71	C	93.2	Very high	93.7	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.02	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	53.9	47.6	179.7	-52.4	0	0	0	0	112.7	S68 N69 Y73 H75 R87 F88 C89	S68-C71 PolarHBondContact O-N 3.24Å; N69-C71 PolarHBondContact O-N 3.49Å; C71-Y73 VanDerWaalsContact C-N 3.33Å; C71-H75 HydrophobicContact CB-CB 3.82Å; C71-H75 PolarHBondContact O-ND1 3.03Å; C71-R87 HydrophobicContact CB-CG 3.8Å; C71-F88 VanDerWaalsContact SG-C 3.58Å; C71-C89 WeakPolarHBondContact CA-SG 3.33Å; C71-C89 HydrophobicContact CB-CB 3.48Å; C71-C89 VanDerWaalsContact CB-CB 3.48Å; C71-C89 WeakPolarHBondContact CB-SG 3.29Å; C71-C89 WeakPolarHBondContact SG-CB 3.42Å; C71-C89 PolarHBondContact SG-N 2.91Å; C71-C89 CovalentContact SG-SG 2.03Å; C71-C89 PolarHBondContact SG-SG 3.41Å
72	E	93.4	Very high	93.1	Very high	137 Å²	137	48.7 Å²	48.7	64%	0.64	26%	0.258	S	S	*	.			trans	-70.2	-28.9	-179.5	-175	178.6	177.3	0	0	113.2	S68 N69 Q70	S68-E72 PolarHBondContact OG-N 2.9Å; N69-E72 PolarHBondContact O-N 3.17Å; Q70-E72 VanDerWaalsContact C-N 3.33Å; Q70-E72 PolarHBondContact O-N 3.23Å
73	Y	93.6	Very high	92.7	Very high	112 Å²	112	49.8 Å²	49.8	44%	0.439	27%	0.266	S	S	.	.	S	Bend	trans	-87.2	-100.9	-178.6	-55.3	-20	0	0	0	107.5	E66 S68 C71 H75	E66-Y73 VanDerWaalsContact OE2-CB 3.23Å; E66-Y73 WeakPolarHBondContact OE2-CB 3.15Å; E66-Y73 WeakPolarHBondContact OE2-CD2 3.42Å; S68-Y73 VanDerWaalsContact CB-CD2 3.4Å; S68-Y73 PolarHBondContact OG-N 2.86Å; S68-Y73 VanDerWaalsContact OG-N 3.08Å; C71-Y73 VanDerWaalsContact C-N 3.33Å; Y73-H75 PolarHBondContact O-ND1 2.87Å
74	D	95.6	Very high	92.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-88.4	135.7	179	-70.9	16.4	0	0	0	111.8	Y38 E66 C89 R117 S118 D119 N122	Y38-D74 WeakPolarHBondContact CE2-OD2 3.44Å; Y38-D74 PolarHBondContact OH-OD2 2.87Å; E66-D74 HydrophobicContact CB-CB 3.97Å; D74-C89 WeakPolarHBondContact O-CB 3.45Å; D74-R117 WeakPolarHBondContact CA-O 3.24Å; D74-S118 VanDerWaalsContact OD1-CA 3.25Å; D74-S118 WeakPolarHBondContact OD1-CA 3.34Å; D74-S118 WeakPolarHBondContact OD2-CB 3.32Å; D74-D119 PolarHBondContact OD1-N 3.01Å; D74-N122 VanDerWaalsContact OD2-CG 3.23Å; D74-N122 PolarHBondContact OD2-ND2 2.81Å; D74-N122 VanDerWaalsContact OD2-ND2 3.08Å; D74-N122 PolarHBondContact OD2-OD1 2.02Å
75	H	96.3	Very high	92.1	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.037	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	159.1	179.7	63.5	-90.5	0	0	0	114.5	C71 Y73 R87 F88 R117	C71-H75 HydrophobicContact CB-CB 3.82Å; C71-H75 PolarHBondContact O-ND1 3.03Å; Y73-H75 PolarHBondContact O-ND1 2.87Å; H75-R87 HydrophobicContact CB-CG 3.76Å; H75-F88 CarbonylContact C-O 3.49Å; H75-F88 VanDerWaalsContact CA-O 3.26Å; H75-F88 WeakPolarHBondContact CA-O 3.06Å; H75-R117 PolarHBondContact N-O 2.9Å; H75-R117 PolarHBondContact O-N 2.9Å
76	I	97.2	Very high	92	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.2	158.3	-69.4	-74.7	0	0	0	108.5	F60 F63 L65 V78 R87 F88 V114 V115 F116 F129	F60-I76 HydrophobicContact CE1-CG2 4.38Å; F60-I76 HydrophobicContact CZ-CG2 3.91Å; F63-I76 HydrophobicContact CE2-CB 4.3Å; F63-I76 HydrophobicContact CE2-CG1 4.01Å; F63-I76 HydrophobicContact CZ-CG1 4.42Å; L65-I76 HydrophobicContact CD1-CG1 3.91Å; I76-V78 HydrophobicContact CG2-CG2 3.98Å; I76-R87 CarbonylContact O-C 3.37Å; I76-R87 VanDerWaalsContact O-CA 3.28Å; I76-R87 WeakPolarHBondContact O-CA 3.48Å; I76-F88 PolarHBondContact N-O 3.06Å; I76-F88 PolarHBondContact O-N 2.78Å; I76-V114 HydrophobicContact CD1-CG1 4.46Å; I76-V114 HydrophobicContact CG2-CG1 3.87Å; I76-V115 CarbonylContact C-O 3.44Å; I76-V115 VanDerWaalsContact CA-O 3.31Å; I76-V115 WeakPolarHBondContact CA-O 3.44Å; I76-F116 HydrophobicContact CD1-CB 3.56Å; I76-F116 HydrophobicContact CD1-CD2 3.74Å; I76-F116 HydrophobicContact CD1-CG 4.05Å; I76-F116 HydrophobicContact CG1-CD2 4.26Å; I76-F129 HydrophobicContact CD1-CD1 3.81Å; I76-F129 HydrophobicContact CD1-CE1 3.33Å; I76-F129 HydrophobicContact CD1-CE2 4.16Å; I76-F129 HydrophobicContact CD1-CG 4.42Å; I76-F129 HydrophobicContact CD1-CZ 3.51Å; I76-F129 HydrophobicContact CG1-CD1 4.11Å; I76-F129 HydrophobicContact CG1-CE1 4.13Å
77	Q	96.7	Very high	92.1	Very high	42 Å²	42	67.7 Å²	67.7	20%	0.196	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.4	172	-175.5	172.8	-30.1	0	0	109.4	L79 T85 L86 R87 V114 V115	Q77-L79 HydrophobicContact CG-CD1 3.91Å; Q77-L79 HydrophobicContact CG-CG 4.5Å; Q77-T85 HydrophobicContact CG-CG2 3.5Å; Q77-T85 VanDerWaalsContact CG-CG2 3.5Å; Q77-T85 VanDerWaalsContact NE2-CG2 3.34Å; Q77-L86 CarbonylContact C-O 3.52Å; Q77-L86 VanDerWaalsContact CA-O 3.32Å; Q77-L86 WeakPolarHBondContact CA-O 2.99Å; Q77-R87 VanDerWaalsContact OE1-NH2 3.1Å; Q77-V114 WeakPolarHBondContact O-CA 3.2Å; Q77-V115 HydrophobicContact CB-CB 4.35Å; Q77-V115 PolarHBondContact N-O 2.84Å; Q77-V115 PolarHBondContact O-N 3.04Å
78	V	97.1	Very high	92.2	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.1	178.1	-174.5	0	0	0	0	108.9	L58 I76 L86 F88 I105 M112 V114	L58-V78 HydrophobicContact CD2-CG1 4.14Å; L58-V78 HydrophobicContact CD2-CG2 4.05Å; I76-V78 HydrophobicContact CG2-CG2 3.98Å; V78-L86 HydrophobicContact CB-CB 4.45Å; V78-L86 PolarHBondContact N-O 2.85Å; V78-L86 PolarHBondContact O-N 2.81Å; V78-F88 HydrophobicContact CG2-CE2 4.28Å; V78-I105 HydrophobicContact CG1-CG2 4.02Å; V78-I105 HydrophobicContact CG2-CD1 4.13Å; V78-M112 HydrophobicContact CG1-CG 3.97Å; V78-M112 HydrophobicContact CG1-SD 3.92Å; V78-V114 HydrophobicContact CG1-CG2 4.38Å; V78-V114 HydrophobicContact CG2-CG1 4.42Å; V78-V114 HydrophobicContact CG2-CG2 4.4Å
79	L	95.8	Very high	92.4	Very high	69 Å²	69	65.2 Å²	65.2	36%	0.361	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	99.1	174.7	-58.8	93	0	0	0	107.7	Q77 T85 M112 S113 V115	Q77-L79 HydrophobicContact CG-CD1 3.91Å; Q77-L79 HydrophobicContact CG-CG 4.5Å; L79-T85 HydrophobicContact CG-CG2 4.3Å; L79-M112 WeakPolarHBondContact O-CA 3.5Å; L79-S113 PolarHBondContact N-O 3.28Å; L79-S113 PolarHBondContact O-N 3.36Å; L79-V115 HydrophobicContact CD1-CG2 4.07Å
80	A	92.1	Very high	92.6	Very high	10 Å²	10	59 Å²	59	8%	0.083	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.1	179.3	0	0	0	0	0	109.7	G82 N83 M112	A80-G82 PolarHBondContact O-N 2.85Å; A80-N83 HydrophobicContact CB-CB 4.21Å; A80-N83 PolarHBondContact O-N 2.83Å; A80-N83 VanDerWaalsContact O-N 3.1Å; A80-M112 HydrophobicContact CB-CE 4Å; A80-M112 HydrophobicContact CB-CG 4.41Å
81	E	87.9	Confident	92.5	Very high	96 Å²	96	53.6 Å²	53.6	45%	0.449	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	129.7	179.6	-175.1	-177.4	-174.6	0	0	111.3	N83 A108 G109 N110 V111	E81-N83 VanDerWaalsContact C-N 3.26Å; E81-N83 PolarHBondContact O-N 2.79Å; E81-A108 WeakPolarHBondContact O-CB 3.34Å; E81-A108 PolarHBondContact O-N 3.14Å; E81-G109 WeakPolarHBondContact OE2-CA 3.44Å; E81-N110 PolarHBondContact OE2-N 3.18Å; E81-V111 WeakPolarHBondContact CB-O 3.24Å; E81-V111 PolarHBondContact N-O 3.02Å; E81-V111 PolarHBondContact OE2-N 2.89Å
82	G	82.3	Confident	91.5	Very high	69 Å²	69	57.1 Å²	57.1	71%	0.711	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	0.4	179.1	0	0	0	0	0	115.9	A80	A80-G82 PolarHBondContact O-N 2.85Å
83	N	86.1	Confident	90.3	Very high	86 Å²	86	58.8 Å²	58.8	46%	0.46	30%	0.298	S	S	.	.	S	Bend	trans	-120	164.5	-179.9	-72.4	-11.2	0	0	0	112	A80 E81 M106	A80-N83 HydrophobicContact CB-CB 4.21Å; A80-N83 PolarHBondContact O-N 2.83Å; A80-N83 VanDerWaalsContact O-N 3.1Å; E81-N83 VanDerWaalsContact C-N 3.26Å; E81-N83 PolarHBondContact O-N 2.79Å; N83-M106 PolarHBondContact ND2-O 2.94Å
84	E	87.1	Confident	89	Confident	171 Å²	171	60.1 Å²	60.1	80%	0.799	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-66.4	150.8	172	-66.4	-174.2	169.9	0	0	111.4	L86	E84-L86 PolarHBondContact O-N 2.62Å
85	T	90.5	Very high	87.4	Confident	79 Å²	79	63.2 Å²	63.2	49%	0.485	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-71.6	128.2	175.7	-63.5	0	0	0	0	110.1	Q77 L79	Q77-T85 HydrophobicContact CG-CG2 3.5Å; Q77-T85 VanDerWaalsContact CG-CG2 3.5Å; Q77-T85 VanDerWaalsContact NE2-CG2 3.34Å; L79-T85 HydrophobicContact CG-CG2 4.3Å
86	L	93.1	Very high	85.7	Confident	65 Å²	65	67.7 Å²	67.7	34%	0.34	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.8	176.5	-58.3	175.4	0	0	0	110.2	Q77 V78 E84 F88 I105	Q77-L86 CarbonylContact C-O 3.52Å; Q77-L86 VanDerWaalsContact CA-O 3.32Å; Q77-L86 WeakPolarHBondContact CA-O 2.99Å; V78-L86 HydrophobicContact CB-CB 4.45Å; V78-L86 PolarHBondContact N-O 2.85Å; V78-L86 PolarHBondContact O-N 2.81Å; E84-L86 PolarHBondContact O-N 2.62Å; L86-F88 HydrophobicContact CB-CE2 3.74Å; L86-F88 HydrophobicContact CB-CZ 3.85Å; L86-F88 HydrophobicContact CD1-CE2 4.37Å; L86-F88 HydrophobicContact CD1-CZ 4.04Å; L86-F88 HydrophobicContact CG-CZ 4.48Å; L86-I105 HydrophobicContact CD1-CD1 4.3Å; L86-I105 HydrophobicContact CD1-CG1 4.02Å; L86-I105 HydrophobicContact CD1-CG2 3.92Å
87	R	94.8	Very high	84.5	Confident	112 Å²	112	76.9 Å²	76.9	42%	0.423	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.7	175.2	-171.1	178.3	-73.3	176.4	-4.3	110.8	Q70 C71 H75 I76 Q77	Q70-R87 WeakPolarHBondContact O-CD 3.18Å; C71-R87 HydrophobicContact CB-CG 3.8Å; H75-R87 HydrophobicContact CB-CG 3.76Å; I76-R87 CarbonylContact O-C 3.37Å; I76-R87 VanDerWaalsContact O-CA 3.28Å; I76-R87 WeakPolarHBondContact O-CA 3.48Å; Q77-R87 VanDerWaalsContact OE1-NH2 3.1Å
88	F	95.6	Very high	83.8	Confident	21 Å²	21	77 Å²	77	9%	0.092	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.2	-176.8	-54.9	-73.6	0	0	0	112.8	F63 C71 H75 I76 V78 L86 S98 P100 I105	F63-F88 HydrophobicContact CE1-CB 4.31Å; F63-F88 HydrophobicContact CE2-CB 4.14Å; F63-F88 HydrophobicContact CZ-CB 3.58Å; C71-F88 VanDerWaalsContact SG-C 3.58Å; H75-F88 CarbonylContact C-O 3.49Å; H75-F88 VanDerWaalsContact CA-O 3.26Å; H75-F88 WeakPolarHBondContact CA-O 3.06Å; I76-F88 PolarHBondContact N-O 3.06Å; I76-F88 PolarHBondContact O-N 2.78Å; V78-F88 HydrophobicContact CG2-CE2 4.28Å; L86-F88 HydrophobicContact CB-CE2 3.74Å; L86-F88 HydrophobicContact CB-CZ 3.85Å; L86-F88 HydrophobicContact CD1-CE2 4.37Å; L86-F88 HydrophobicContact CD1-CZ 4.04Å; L86-F88 HydrophobicContact CG-CZ 4.48Å; F88-S98 CarbonylContact C-O 3.58Å; F88-S98 WeakPolarHBondContact CA-O 2.96Å; F88-S98 WeakPolarHBondContact CB-O 3.38Å; F88-P100 HydrophobicContact CD1-CB 4.03Å; F88-P100 HydrophobicContact CD2-CB 4.37Å; F88-P100 HydrophobicContact CE1-CB 4.12Å; F88-P100 HydrophobicContact CE2-CB 4.46Å; F88-P100 HydrophobicContact CG-CB 4.15Å; F88-P100 HydrophobicContact CG-CG 4.45Å; F88-P100 HydrophobicContact CZ-CB 4.32Å; F88-I105 HydrophobicContact CE2-CD1 3.57Å; F88-I105 HydrophobicContact CZ-CD1 3.92Å
89	C	94.4	Very high	83.4	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.014	39%	0.394	C	S	.	.			trans	-160.1	175.7	174.3	63.8	0	0	0	0	110.8	E66 C71 D74 S98 T99	E66-C89 WeakPolarHBondContact O-CB 3.04Å; C71-C89 WeakPolarHBondContact CA-SG 3.33Å; C71-C89 HydrophobicContact CB-CB 3.48Å; C71-C89 VanDerWaalsContact CB-CB 3.48Å; C71-C89 WeakPolarHBondContact CB-SG 3.29Å; C71-C89 WeakPolarHBondContact SG-CB 3.42Å; C71-C89 PolarHBondContact SG-N 2.91Å; C71-C89 CovalentContact SG-SG 2.03Å; C71-C89 PolarHBondContact SG-SG 3.41Å; D74-C89 WeakPolarHBondContact O-CB 3.45Å; C89-S98 PolarHBondContact N-O 2.83Å; C89-S98 CarbonylContact O-C 3.46Å; C89-S98 VanDerWaalsContact O-O 3.04Å; C89-T99 VanDerWaalsContact O-CG2 3.29Å; C89-T99 WeakPolarHBondContact O-CG2 3.42Å
90	G	92.4	Very high	83	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.376	C	S	.	.	S	Bend	trans	85.6	-167.3	-179	0	0	0	0	0	114.8	F63 L65	F63-G90 WeakPolarHBondContact CD1-O 3.38Å; L65-G90 PolarHBondContact N-O 3.01Å; L65-G90 CarbonylContact O-C 3.08Å; L65-G90 VanDerWaalsContact O-C 3.24Å; L65-G90 WeakPolarHBondContact O-CA 3.22Å; L65-G90 PolarHBondContact O-N 2.84Å
91	E	86.7	Confident	82.6	Confident	42 Å²	42	79.6 Å²	79.6	20%	0.196	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-123.4	142.1	-176.3	-52.9	-170.4	103.7	0	0	110.6	S64 E93 K94 N95 F126	S64-E91 PolarHBondContact OG-OE1 2.78Å; E91-E93 PolarHBondContact O-N 3.39Å; E91-E93 VanDerWaalsContact O-N 3.1Å; E91-K94 PolarHBondContact O-N 3.25Å; E91-K94 VanDerWaalsContact O-N 3.12Å; E91-K94 IonicContact OE2-NZ 2.87Å; E91-K94 PolarHBondContact OE2-NZ 3.04Å; E91-N95 PolarHBondContact O-N 3.35Å; E91-N95 VanDerWaalsContact O-N 3.11Å; E91-F126 HydrophobicContact CG-CD1 4.22Å; E91-F126 HydrophobicContact CG-CE1 4.21Å
92	E	72.7	Confident	82.3	Confident	77 Å²	77	82.7 Å²	82.7	36%	0.36	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.8	-173.1	-70.5	-176	172.4	0	0	114.2	F63 H96	F63-E92 HydrophobicContact CB-CG 4.4Å; E92-H96 PolarHBondContact O-CE1 2.87Å; E92-H96 VanDerWaalsContact O-CE1 3.26Å; E92-H96 PolarHBondContact O-ND1 2.78Å
93	E	68.8	Low	82.5	Confident	172 Å²	172	82.7 Å²	82.7	80%	0.804	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.2	-176	-62.2	-166.3	161.9	0	0	114.5	E91	E91-E93 PolarHBondContact O-N 3.39Å; E91-E93 VanDerWaalsContact O-N 3.1Å
94	K	65.6	Low	82.9	Confident	141 Å²	141	82.7 Å²	82.7	61%	0.613	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-33.4	-167.8	-63.5	178.9	-165.6	147.3	0	114.4	E91	E91-K94 PolarHBondContact O-N 3.25Å; E91-K94 VanDerWaalsContact O-N 3.12Å; E91-K94 IonicContact OE2-NZ 2.87Å; E91-K94 PolarHBondContact OE2-NZ 3.04Å
95	N	62.8	Low	83.2	Confident	65 Å²	65	74.9 Å²	74.9	35%	0.348	36%	0.364	S	S	.	.			trans	-128.3	78.4	-173.7	-67.6	-49.5	0	0	0	110.5	P67 E91 E97 T99	P67-N95 WeakPolarHBondContact CB-ND2 3.39Å; E91-N95 PolarHBondContact O-N 3.35Å; E91-N95 VanDerWaalsContact O-N 3.11Å; N95-E97 VanDerWaalsContact C-N 3.31Å; N95-E97 PolarHBondContact O-N 3.34Å; N95-T99 WeakPolarHBondContact O-CG2 3.25Å; N95-T99 PolarHBondContact O-OG1 3.39Å
96	H	61.1	Low	83.4	Confident	101 Å²	101	74 Å²	74	47%	0.468	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.9	-167.8	-71	-55.3	0	0	0	116	E92	E92-H96 PolarHBondContact O-CE1 2.87Å; E92-H96 VanDerWaalsContact O-CE1 3.26Å; E92-H96 PolarHBondContact O-ND1 2.78Å
97	E	71.9	Confident	83.5	Confident	193 Å²	193	71 Å²	71	90%	0.902	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-24.7	-172.2	-161.6	163.9	-163.2	0	0	113.3	N95	N95-E97 VanDerWaalsContact C-N 3.31Å; N95-E97 PolarHBondContact O-N 3.34Å
98	S	81.6	Confident	83.4	Confident	45 Å²	45	68.5 Å²	68.5	32%	0.315	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	2.6	-176.1	-51.6	0	0	0	0	114.2	F88 C89	F88-S98 CarbonylContact C-O 3.58Å; F88-S98 WeakPolarHBondContact CA-O 2.96Å; F88-S98 WeakPolarHBondContact CB-O 3.38Å; C89-S98 PolarHBondContact N-O 2.83Å; C89-S98 CarbonylContact O-C 3.46Å; C89-S98 VanDerWaalsContact O-O 3.04Å
99	T	87.8	Confident	83.3	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.043	35%	0.345	C	S	.	.	S	Bend	trans	-96.8	151	177	48.6	0	0	0	0	111.3	F63 C89 N95 R101	F63-T99 HydrophobicContact CD1-CG2 4.09Å; F63-T99 HydrophobicContact CE1-CG2 4.33Å; C89-T99 VanDerWaalsContact O-CG2 3.29Å; C89-T99 WeakPolarHBondContact O-CG2 3.42Å; N95-T99 WeakPolarHBondContact O-CG2 3.25Å; N95-T99 PolarHBondContact O-OG1 3.39Å; T99-R101 VanDerWaalsContact C-N 3.32Å; T99-R101 PolarHBondContact O-N 3.18Å
100	P	87.6	Confident	83.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.352	C	S	.	.			trans	-70.8	-26.7	-179.6	27.1	-30.9	0	0	0	112.5	F60 F63 F88 N102 T103	F60-P100 HydrophobicContact CB-CG 4.08Å; F60-P100 HydrophobicContact CD2-CB 3.69Å; F60-P100 HydrophobicContact CD2-CG 3.72Å; F60-P100 HydrophobicContact CE2-CB 4.23Å; F60-P100 HydrophobicContact CE2-CG 4.38Å; F60-P100 HydrophobicContact CG-CB 4.36Å; F60-P100 HydrophobicContact CG-CG 3.91Å; F63-P100 HydrophobicContact CB-CG 4.18Å; F63-P100 HydrophobicContact CD1-CG 4.27Å; F63-P100 HydrophobicContact CD2-CG 3.44Å; F63-P100 VanDerWaalsContact CD2-CG 3.44Å; F63-P100 HydrophobicContact CE2-CG 3.78Å; F63-P100 HydrophobicContact CG-CG 3.7Å; F63-P100 HydrophobicContact CZ-CG 4.32Å; F88-P100 HydrophobicContact CD1-CB 4.03Å; F88-P100 HydrophobicContact CD2-CB 4.37Å; F88-P100 HydrophobicContact CE1-CB 4.12Å; F88-P100 HydrophobicContact CE2-CB 4.46Å; F88-P100 HydrophobicContact CG-CB 4.15Å; F88-P100 HydrophobicContact CG-CG 4.45Å; F88-P100 HydrophobicContact CZ-CB 4.32Å; P100-N102 PolarHBondContact O-N 3.1Å; P100-T103 WeakPolarHBondContact O-CA 3.46Å; P100-T103 WeakPolarHBondContact O-CB 3.38Å; P100-T103 PolarHBondContact O-N 2.91Å; P100-T103 PolarHBondContact O-OG1 3.29Å
101	R	83.2	Confident	83.5	Confident	127 Å²	127	72.5 Å²	72.5	48%	0.479	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-136.2	-178.3	-51.4	177.2	82	174.2	6.9	110.6	T99 T103	T99-R101 VanDerWaalsContact C-N 3.32Å; T99-R101 PolarHBondContact O-N 3.18Å; R101-T103 PolarHBondContact O-N 2.71Å
102	N	82.8	Confident	84	Confident	161 Å²	161	70.5 Å²	70.5	86%	0.861	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	21.3	173.1	-65.1	-16.9	0	0	0	113	P100 I104	P100-N102 PolarHBondContact O-N 3.1Å; N102-I104 PolarHBondContact O-N 3.14Å
103	T	87	Confident	85.2	Confident	69 Å²	69	68 Å²	68	42%	0.423	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-70	128	178.8	-54.1	0	0	0	0	109.5	P100 R101 I105	P100-T103 WeakPolarHBondContact O-CA 3.46Å; P100-T103 WeakPolarHBondContact O-CB 3.38Å; P100-T103 PolarHBondContact O-N 2.91Å; P100-T103 PolarHBondContact O-OG1 3.29Å; R101-T103 PolarHBondContact O-N 2.71Å; T103-I105 HydrophobicContact CG2-CG1 4.41Å
104	I	93.3	Very high	86.6	Confident	87 Å²	87	59.8 Å²	59.8	45%	0.446	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-94.5	117.2	172.2	-63	175.3	0	0	0	107.2	K57 N102 M106	K57-I104 HydrophobicContact CD-CG2 3.93Å; K57-I104 HydrophobicContact CG-CG2 3.46Å; K57-I104 VanDerWaalsContact CG-CG2 3.46Å; N102-I104 PolarHBondContact O-N 3.14Å; I104-M106 HydrophobicContact CG2-CE 3.97Å; I104-M106 HydrophobicContact CG2-CG 4.19Å
105	I	94.8	Very high	88.1	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.9	179	-56.1	162.4	0	0	0	107.6	K57 L58 F60 V78 L86 F88 T103 M112	K57-I105 CarbonylContact C-O 3.54Å; K57-I105 WeakPolarHBondContact CA-O 3.41Å; L58-I105 HydrophobicContact CB-CB 4.3Å; L58-I105 HydrophobicContact CD2-CD1 4.23Å; L58-I105 PolarHBondContact N-O 3.1Å; L58-I105 PolarHBondContact O-N 3.07Å; F60-I105 HydrophobicContact CE2-CD1 4.04Å; V78-I105 HydrophobicContact CG1-CG2 4.02Å; V78-I105 HydrophobicContact CG2-CD1 4.13Å; L86-I105 HydrophobicContact CD1-CD1 4.3Å; L86-I105 HydrophobicContact CD1-CG1 4.02Å; L86-I105 HydrophobicContact CD1-CG2 3.92Å; F88-I105 HydrophobicContact CE2-CD1 3.57Å; F88-I105 HydrophobicContact CZ-CD1 3.92Å; T103-I105 HydrophobicContact CG2-CG1 4.41Å; I105-M112 HydrophobicContact CG2-CE 4.2Å
106	M	94	Very high	89.8	Confident	60 Å²	60	51.2 Å²	51.2	30%	0.296	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.6	176.5	-65.9	-171.1	175.2	0	0	110.1	R55 I56 K57 N83 I104	R55-M106 VanDerWaalsContact CZ-SD 3.57Å; I56-M106 CarbonylContact O-C 3.58Å; I56-M106 VanDerWaalsContact O-CA 3.28Å; I56-M106 WeakPolarHBondContact O-CA 3.42Å; K57-M106 HydrophobicContact CD-CE 4.19Å; K57-M106 HydrophobicContact CG-CE 4.48Å; N83-M106 PolarHBondContact ND2-O 2.94Å; I104-M106 HydrophobicContact CG2-CE 3.97Å; I104-M106 HydrophobicContact CG2-CG 4.19Å
107	S	95.2	Very high	91.5	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.021	28%	0.277	C	S	.	.			trans	-88.2	158.5	163.1	59.5	0	0	0	0	111.3	R55 I56 G109	R55-S107 WeakPolarHBondContact CB-O 3.33Å; I56-S107 PolarHBondContact N-OG 2.84Å; I56-S107 PolarHBondContact O-N 2.82Å; S107-G109 WeakPolarHBondContact CB-O 3.49Å; S107-G109 PolarHBondContact OG-O 2.05Å
108	A	92.1	Very high	92.6	Very high	59 Å²	59	43.7 Å²	43.7	49%	0.488	24%	0.235	S	C	.	.	S	Bend	trans	-81.9	-32.8	169.7	0	0	0	0	0	111.7	E81	E81-A108 WeakPolarHBondContact O-CB 3.34Å; E81-A108 PolarHBondContact O-N 3.14Å
109	G	92.9	Very high	93.2	Very high	14 Å²	14	42.9 Å²	42.9	14%	0.144	23%	0.228	C	C	.	.	S	Bend	trans	-113.6	-161.2	176.1	0	0	0	0	0	113.3	H54 R55 E81 S107	H54-G109 CarbonylContact O-C 3.6Å; R55-G109 WeakPolarHBondContact CA-O 3.42Å; E81-G109 WeakPolarHBondContact OE2-CA 3.44Å; S107-G109 WeakPolarHBondContact CB-O 3.49Å; S107-G109 PolarHBondContact OG-O 2.05Å
110	N	95.8	Very high	93.5	Very high	29 Å²	29	51 Å²	51	16%	0.155	26%	0.259	C	S	.	.	S	Bend	trans	-95.5	7.6	-172.2	72.3	-62	0	0	0	113.9	T49 A50 H54 I56 E81	T49-N110 WeakPolarHBondContact CA-O 3.46Å; A50-N110 HydrophobicContact CB-CB 4.28Å; A50-N110 PolarHBondContact N-O 3Å; A50-N110 PolarHBondContact O-ND2 3.28Å; H54-N110 WeakPolarHBondContact O-CA 3.42Å; H54-N110 VanDerWaalsContact O-CB 3.27Å; H54-N110 WeakPolarHBondContact O-CB 3.31Å; I56-N110 WeakPolarHBondContact CD1-O 3.47Å; E81-N110 PolarHBondContact OE2-N 3.18Å
111	V	96.1	Very high	93.5	Very high	64 Å²	64	53 Å²	53	39%	0.388	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.2	-178.7	-176.2	0	0	0	0	111.8	I48 E81	I48-V111 WeakPolarHBondContact O-CA 3.4Å; E81-V111 WeakPolarHBondContact CB-O 3.24Å; E81-V111 PolarHBondContact N-O 3.02Å; E81-V111 PolarHBondContact OE2-N 2.89Å
112	M	97.5	Very high	93.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	132.9	173.6	-176.3	-179.5	-71.1	0	0	109.8	I48 I56 L58 V78 L79 A80 I105 V114	I48-M112 WeakPolarHBondContact CA-O 3.08Å; I48-M112 WeakPolarHBondContact CB-O 3.42Å; I48-M112 PolarHBondContact N-O 3.03Å; I48-M112 PolarHBondContact O-N 2.86Å; I56-M112 HydrophobicContact CB-CB 4.31Å; I56-M112 HydrophobicContact CB-CE 4.02Å; I56-M112 HydrophobicContact CD1-CB 3.65Å; I56-M112 HydrophobicContact CG2-CB 4.26Å; I56-M112 HydrophobicContact CG2-CE 3.84Å; I56-M112 HydrophobicContact CG2-SD 3.86Å; L58-M112 HydrophobicContact CB-CE 4.27Å; L58-M112 HydrophobicContact CB-SD 3.74Å; L58-M112 HydrophobicContact CD2-SD 3.79Å; L58-M112 HydrophobicContact CG-SD 4.34Å; V78-M112 HydrophobicContact CG1-CG 3.97Å; V78-M112 HydrophobicContact CG1-SD 3.92Å; L79-M112 WeakPolarHBondContact O-CA 3.5Å; A80-M112 HydrophobicContact CB-CE 4Å; A80-M112 HydrophobicContact CB-CG 4.41Å; I105-M112 HydrophobicContact CG2-CE 4.2Å; M112-V114 HydrophobicContact CG-CG2 4.4Å; M112-V114 HydrophobicContact SD-CG2 4.5Å
113	S	97.3	Very high	93.1	Very high	24 Å²	24	46 Å²	46	17%	0.168	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.7	173.1	-169.2	0	0	0	0	110.2	W46 N47 L79	W46-S113 CarbonylContact O-C 3.54Å; W46-S113 WeakPolarHBondContact O-CA 3.38Å; N47-S113 PolarHBondContact OD1-OG 2.82Å; L79-S113 PolarHBondContact N-O 3.28Å; L79-S113 PolarHBondContact O-N 3.36Å
114	V	97.9	Very high	92.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.3	177.7	-176.1	0	0	0	0	108.4	F29 V45 W46 I48 L58 I76 Q77 V78 M112	F29-V114 HydrophobicContact CE2-CB 4.21Å; F29-V114 HydrophobicContact CE2-CG1 3.86Å; F29-V114 HydrophobicContact CZ-CB 4.11Å; F29-V114 HydrophobicContact CZ-CG1 4.06Å; F29-V114 HydrophobicContact CZ-CG2 3.99Å; V45-V114 CarbonylContact C-O 3.55Å; V45-V114 WeakPolarHBondContact CA-O 3.36Å; W46-V114 HydrophobicContact CE3-CB 4.37Å; W46-V114 HydrophobicContact CE3-CG1 4.31Å; W46-V114 PolarHBondContact N-O 3.47Å; W46-V114 PolarHBondContact O-N 2.63Å; I48-V114 HydrophobicContact CD1-CG2 4.29Å; L58-V114 HydrophobicContact CD2-CG2 3.8Å; I76-V114 HydrophobicContact CD1-CG1 4.46Å; I76-V114 HydrophobicContact CG2-CG1 3.87Å; Q77-V114 WeakPolarHBondContact O-CA 3.2Å; V78-V114 HydrophobicContact CG1-CG2 4.38Å; V78-V114 HydrophobicContact CG2-CG1 4.42Å; V78-V114 HydrophobicContact CG2-CG2 4.4Å; M112-V114 HydrophobicContact CG-CG2 4.4Å; M112-V114 HydrophobicContact SD-CG2 4.5Å
115	V	98	Very high	92.4	Very high	25 Å²	25	48.9 Å²	48.9	15%	0.152	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.5	-178.2	-176.8	0	0	0	0	108.9	L43 V44 V45 I76 Q77 L79	L43-V115 HydrophobicContact CD1-CG1 3.8Å; V44-V115 CarbonylContact O-C 3.6Å; V44-V115 WeakPolarHBondContact O-CA 3.49Å; V45-V115 HydrophobicContact CG1-CG2 4.28Å; V45-V115 HydrophobicContact CG2-CG1 4.31Å; V45-V115 HydrophobicContact CG2-CG2 4.22Å; I76-V115 CarbonylContact C-O 3.44Å; I76-V115 VanDerWaalsContact CA-O 3.31Å; I76-V115 WeakPolarHBondContact CA-O 3.44Å; Q77-V115 HydrophobicContact CB-CB 4.35Å; Q77-V115 PolarHBondContact N-O 2.84Å; Q77-V115 PolarHBondContact O-N 3.04Å; L79-V115 HydrophobicContact CD1-CG2 4.07Å
116	F	97.9	Very high	92.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.4	167.1	175.4	-123.3	0	0	0	109.8	Y38 Q42 L43 V44 W46 L65 I76 F129	Y38-F116 HydrophobicContact CD1-CZ 4.28Å; Y38-F116 HydrophobicContact CD2-CE1 4.26Å; Y38-F116 AromaticContact CD2-CZ 3.6Å; Y38-F116 HydrophobicContact CD2-CZ 3.6Å; Y38-F116 AromaticContact CE2-CZ 3.88Å; Y38-F116 HydrophobicContact CE2-CZ 3.88Å; Y38-F116 HydrophobicContact CG-CE1 4.39Å; Y38-F116 AromaticContact CG-CZ 3.81Å; Y38-F116 HydrophobicContact CG-CZ 3.81Å; Q42-F116 HydrophobicContact CB-CD1 4.39Å; Q42-F116 HydrophobicContact CB-CE1 4.06Å; L43-F116 WeakPolarHBondContact CA-O 3.45Å; V44-F116 HydrophobicContact CB-CB 4.39Å; V44-F116 HydrophobicContact CG2-CD1 4.38Å; V44-F116 PolarHBondContact N-O 2.95Å; V44-F116 PolarHBondContact O-N 3.31Å; W46-F116 HydrophobicContact CH2-CB 3.99Å; W46-F116 HydrophobicContact CZ3-CB 3.63Å; L65-F116 HydrophobicContact CD1-CE2 4.26Å; L65-F116 HydrophobicContact CD2-CE2 3.64Å; L65-F116 HydrophobicContact CD2-CZ 4.3Å; I76-F116 HydrophobicContact CD1-CB 3.56Å; I76-F116 HydrophobicContact CD1-CD2 3.74Å; I76-F116 HydrophobicContact CD1-CG 4.05Å; I76-F116 HydrophobicContact CG1-CD2 4.26Å; F116-F129 HydrophobicContact CB-CE1 4.07Å; F116-F129 HydrophobicContact CB-CZ 4.37Å; F116-F129 HydrophobicContact CD1-CE1 4.42Å; F116-F129 HydrophobicContact CD2-CD1 4.46Å; F116-F129 AromaticContact CD2-CE1 3.91Å; F116-F129 HydrophobicContact CD2-CE1 3.91Å; F116-F129 AromaticContact CG-CE1 3.86Å; F116-F129 HydrophobicContact CG-CE1 3.86Å
117	R	97	Very high	92.4	Very high	132 Å²	132	48.9 Å²	48.9	50%	0.498	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.5	173.2	-175	176.7	176.2	-167.6	-6.1	110.1	Q42 L43 D74 H75	Q42-R117 WeakPolarHBondContact O-CA 3.36Å; L43-R117 HydrophobicContact CD1-CB 4.5Å; D74-R117 WeakPolarHBondContact CA-O 3.24Å; H75-R117 PolarHBondContact N-O 2.9Å; H75-R117 PolarHBondContact O-N 2.9Å
118	S	96.1	Very high	92.4	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.028	25%	0.253	C	S	.	.			trans	-116.3	143.5	164.1	63.3	0	0	0	0	111.4	P39 N41 Q42 D74	P39-S118 PolarHBondContact O-OG 3.35Å; N41-S118 WeakPolarHBondContact CA-O 3.45Å; N41-S118 PolarHBondContact N-OG 3.02Å; Q42-S118 WeakPolarHBondContact CB-OG 2.99Å; Q42-S118 PolarHBondContact N-OG 3.32Å; Q42-S118 PolarHBondContact O-N 2.03Å; D74-S118 VanDerWaalsContact OD1-CA 3.25Å; D74-S118 WeakPolarHBondContact OD1-CA 3.34Å; D74-S118 WeakPolarHBondContact OD2-CB 3.32Å
119	D	93.9	Very high	92.6	Very high	29 Å²	29	45.9 Å²	45.9	16%	0.155	23%	0.23	C	C	.	.			trans	-81.2	-162.1	177.2	91.8	-21.8	0	0	0	111.2	D40 N41 D74 S121	D40-D119 CarbonylContact C-O 3.24Å; N41-D119 PolarHBondContact N-O 3.46Å; D74-D119 PolarHBondContact OD1-N 3.01Å; D119-S121 VanDerWaalsContact C-N 3.35Å; D119-S121 PolarHBondContact OD1-N 3.41Å
120	Y	93.1	Very high	92.9	Very high	177 Å²	177	48.3 Å²	48.3	69%	0.694	24%	0.237	S	C	*	.	S	Bend	trans	-83.1	-4.2	-174.9	71.1	-84.2	0	0	0	114.8	N41	N41-Y120 WeakPolarHBondContact OD1-CA 3.4Å
121	S	88.1	Confident	93	Very high	43 Å²	43	46.9 Å²	46.9	30%	0.301	23%	0.23	S	C	.	.			trans	-154.1	103.2	-170.1	172.3	0	0	0	0	114.5	D119	D119-S121 VanDerWaalsContact C-N 3.35Å; D119-S121 PolarHBondContact OD1-N 3.41Å
122	N	77.8	Confident	93.1	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	22%	0.223	C	C	.	.			trans	-109.5	-3.8	171.9	-73.9	-72.8	0	0	0	115.1	Y38 D40 D74 G124 R125 F126	Y38-N122 HydrophobicContact CE2-CB 4.17Å; Y38-N122 WeakPolarHBondContact CE2-ND2 3.5Å; Y38-N122 PolarHBondContact OH-OD1 3.4Å; D40-N122 VanDerWaalsContact OD1-CB 3.29Å; D40-N122 WeakPolarHBondContact OD1-CB 3.21Å; D40-N122 PolarHBondContact OD1-N 2.66Å; D40-N122 PolarHBondContact OD1-ND2 2.92Å; D74-N122 VanDerWaalsContact OD2-CG 3.23Å; D74-N122 PolarHBondContact OD2-ND2 2.81Å; D74-N122 VanDerWaalsContact OD2-ND2 3.08Å; D74-N122 PolarHBondContact OD2-OD1 2.02Å; N122-G124 PolarHBondContact O-N 3.11Å; N122-R125 PolarHBondContact O-N 2.91Å; N122-R125 VanDerWaalsContact O-N 3.07Å; N122-F126 HydrophobicContact CB-CD2 4.47Å
123	E	78.8	Confident	93.1	Very high	137 Å²	137	46.9 Å²	46.9	64%	0.64	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	15.5	-173.4	-59.5	-174.2	-170.1	0	0	114.8	R125	E123-R125 VanDerWaalsContact C-N 3.29Å; E123-R125 HydrophobicContact CB-CG 4.06Å; E123-R125 PolarHBondContact O-N 3.02Å; E123-R125 IonicContact OE2-CZ 3Å; E123-R125 IonicContact OE2-NE 3.03Å; E123-R125 PolarHBondContact OE2-NE 3.16Å; E123-R125 IonicContact OE2-NH2 3.02Å; E123-R125 PolarHBondContact OE2-NH2 3.38Å
124	G	79.6	Confident	93.1	Very high	46 Å²	46	47.9 Å²	47.9	47%	0.474	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	25.2	-175	0	0	0	0	0	114.4	P37 N122	P37-G124 WeakPolarHBondContact CB-O 3.31Å; P37-G124 WeakPolarHBondContact CG-O 3.26Å; N122-G124 PolarHBondContact O-N 3.11Å
125	R	86.9	Confident	93.1	Very high	169 Å²	169	48.9 Å²	48.9	64%	0.638	24%	0.236	S	C	*	.			trans	-89.2	-32.5	-174.3	-67.4	-179.4	-178.6	-161.6	2.8	114.5	N122 E123	N122-R125 PolarHBondContact O-N 2.91Å; N122-R125 VanDerWaalsContact O-N 3.07Å; E123-R125 VanDerWaalsContact C-N 3.29Å; E123-R125 HydrophobicContact CB-CG 4.06Å; E123-R125 PolarHBondContact O-N 3.02Å; E123-R125 IonicContact OE2-CZ 3Å; E123-R125 IonicContact OE2-NE 3.03Å; E123-R125 PolarHBondContact OE2-NE 3.16Å; E123-R125 IonicContact OE2-NH2 3.02Å; E123-R125 PolarHBondContact OE2-NH2 3.38Å
126	F	93.3	Very high	92.9	Very high	25 Å²	25	50 Å²	50	11%	0.11	24%	0.24	C	C	.	.			trans	-102.7	123.5	-167.5	-57.4	-72.2	0	0	0	111.2	P37 Y38 E66 E91 N122 G128	P37-F126 WeakPolarHBondContact CA-O 3.37Å; Y38-F126 HydrophobicContact CD1-CB 4.36Å; Y38-F126 WeakPolarHBondContact CD1-O 3.25Å; Y38-F126 HydrophobicContact CE1-CB 3.42Å; Y38-F126 VanDerWaalsContact CE1-CB 3.42Å; Y38-F126 WeakPolarHBondContact CE1-O 3.47Å; Y38-F126 PolarHBondContact N-O 3.31Å; E66-F126 HydrophobicContact CB-CD2 3.84Å; E66-F126 HydrophobicContact CB-CE2 3.53Å; E66-F126 HydrophobicContact CB-CZ 4.08Å; E66-F126 HydrophobicContact CG-CD2 4.48Å; E66-F126 HydrophobicContact CG-CE2 3.71Å; E66-F126 HydrophobicContact CG-CZ 4.09Å; E91-F126 HydrophobicContact CG-CD1 4.22Å; E91-F126 HydrophobicContact CG-CE1 4.21Å; N122-F126 HydrophobicContact CB-CD2 4.47Å; F126-G128 PolarHBondContact O-N 3.01Å
127	T	95.2	Very high	92.9	Very high	42 Å²	42	52.2 Å²	52.2	26%	0.258	25%	0.252	S	S	.	.			trans	-78.2	-7.8	-174.5	48.1	0	0	0	0	113.5	F34 H62	F34-T127 WeakPolarHBondContact CD2-O 3.16Å; H62-T127 PolarHBondContact CE1-OG1 3.08Å; H62-T127 PolarHBondContact NE2-OG1 2.95Å
128	G	95.8	Very high	92.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.9	-142.4	176.1	0	0	0	0	0	112.9	S31 Y38 H62 S64 F126	S31-G128 WeakPolarHBondContact OG-CA 3.49Å; Y38-G128 VanDerWaalsContact CD1-CA 3.5Å; H62-G128 PolarHBondContact CE1-O 3.23Å; H62-G128 PolarHBondContact ND1-O 2.7Å; S64-G128 PolarHBondContact N-O 3.17Å; S64-G128 CarbonylContact O-C 3.59Å; S64-G128 WeakPolarHBondContact O-CA 3.34Å; S64-G128 PolarHBondContact O-N 3.11Å; F126-G128 PolarHBondContact O-N 3.01Å
129	F	96.5	Very high	92.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.1	-170.5	72.1	-86	0	0	0	113	F29 A30 S31 W46 F60 H62 F63 I76 F116 A131	F29-F129 AromaticContact CD2-CE2 3.75Å; F29-F129 HydrophobicContact CD2-CE2 3.75Å; F29-F129 HydrophobicContact CD2-CZ 4.26Å; F29-F129 AromaticContact CE2-CE2 3.73Å; F29-F129 HydrophobicContact CE2-CE2 3.73Å; F29-F129 HydrophobicContact CE2-CZ 4.32Å; A30-F129 WeakPolarHBondContact CA-O 3.47Å; A30-F129 VanDerWaalsContact CB-O 3.26Å; A30-F129 WeakPolarHBondContact CB-O 3.05Å; S31-F129 PolarHBondContact N-O 2.78Å; S31-F129 VanDerWaalsContact N-O 3.08Å; S31-F129 PolarHBondContact OG-N 2.93Å; W46-F129 HydrophobicContact CH2-CE1 4.37Å; W46-F129 AromaticContact CH2-CZ 3.6Å; W46-F129 HydrophobicContact CH2-CZ 3.6Å; W46-F129 HydrophobicContact CZ2-CZ 4.47Å; W46-F129 AromaticContact CZ3-CZ 3.75Å; W46-F129 HydrophobicContact CZ3-CZ 3.75Å; F60-F129 HydrophobicContact CD1-CB 4.21Å; F60-F129 AromaticContact CD1-CD2 3.88Å; F60-F129 HydrophobicContact CD1-CD2 3.88Å; F60-F129 HydrophobicContact CD1-CG 4.36Å; F60-F129 AromaticContact CE1-CD2 3.68Å; F60-F129 HydrophobicContact CE1-CD2 3.68Å; F60-F129 HydrophobicContact CE1-CE2 4.2Å; F60-F129 HydrophobicContact CE1-CG 4.27Å; H62-F129 WeakPolarHBondContact O-CA 3Å; H62-F129 WeakPolarHBondContact O-CB 3.47Å; F63-F129 HydrophobicContact CD2-CB 3.92Å; F63-F129 HydrophobicContact CE2-CB 4.44Å; I76-F129 HydrophobicContact CD1-CD1 3.81Å; I76-F129 HydrophobicContact CD1-CE1 3.33Å; I76-F129 HydrophobicContact CD1-CE2 4.16Å; I76-F129 HydrophobicContact CD1-CG 4.42Å; I76-F129 HydrophobicContact CD1-CZ 3.51Å; I76-F129 HydrophobicContact CG1-CD1 4.11Å; I76-F129 HydrophobicContact CG1-CE1 4.13Å; F116-F129 HydrophobicContact CB-CE1 4.07Å; F116-F129 HydrophobicContact CB-CZ 4.37Å; F116-F129 HydrophobicContact CD1-CE1 4.42Å; F116-F129 HydrophobicContact CD2-CD1 4.46Å; F116-F129 AromaticContact CD2-CE1 3.91Å; F116-F129 HydrophobicContact CD2-CE1 3.91Å; F116-F129 AromaticContact CG-CE1 3.86Å; F116-F129 HydrophobicContact CG-CE1 3.86Å; F129-A131 HydrophobicContact CD2-CB 4.1Å; F129-A131 HydrophobicContact CE2-CB 4.2Å
130	Q	97.8	Very high	92.7	Very high	64 Å²	64	50.6 Å²	50.6	30%	0.299	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.9	165.9	-171.4	178.4	30.8	0	0	108.9	F34 F60 T61 H62 F132	F34-Q130 HydrophobicContact CD1-CB 4.39Å; F34-Q130 HydrophobicContact CE1-CB 3.83Å; F34-Q130 HydrophobicContact CE1-CG 4.26Å; F34-Q130 HydrophobicContact CE2-CB 4.31Å; F34-Q130 HydrophobicContact CZ-CB 3.8Å; F60-Q130 WeakPolarHBondContact CA-O 3.03Å; T61-Q130 PolarHBondContact N-O 2.91Å; T61-Q130 PolarHBondContact OG1-O 2.87Å; T61-Q130 PolarHBondContact OG1-OE1 2.84Å; H62-Q130 HydrophobicContact CB-CB 4.23Å; H62-Q130 PolarHBondContact O-N 3.35Å; Q130-F132 HydrophobicContact CG-CE2 3.72Å; Q130-F132 HydrophobicContact CG-CZ 4.19Å
131	A	97.8	Very high	92.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.1	-176.2	0	0	0	0	0	111.4	S28 F29 L58 Y59 F60 F129	S28-A131 VanDerWaalsContact CA-O 3.23Å; S28-A131 WeakPolarHBondContact CA-O 3.42Å; F29-A131 HydrophobicContact CD1-CB 4.41Å; F29-A131 HydrophobicContact CD2-CB 4.24Å; F29-A131 HydrophobicContact CE1-CB 3.97Å; F29-A131 HydrophobicContact CE2-CB 3.79Å; F29-A131 HydrophobicContact CZ-CB 3.62Å; F29-A131 PolarHBondContact N-O 3.13Å; F29-A131 PolarHBondContact O-N 2.81Å; L58-A131 HydrophobicContact CD1-CB 4.14Å; Y59-A131 WeakPolarHBondContact O-CA 3.48Å; F60-A131 HydrophobicContact CD1-CB 3.68Å; F60-A131 HydrophobicContact CE1-CB 3.66Å; F60-A131 HydrophobicContact CG-CB 4.4Å; F60-A131 HydrophobicContact CZ-CB 4.34Å; F129-A131 HydrophobicContact CD2-CB 4.1Å; F129-A131 HydrophobicContact CE2-CB 4.2Å
132	F	98.1	Very high	93	Very high	57 Å²	57	49 Å²	49	25%	0.25	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.7	176.7	-66.5	-95.9	0	0	0	109.1	G27 S28 Y59 T61 Q130	G27-F132 WeakPolarHBondContact O-CA 3.46Å; S28-F132 VanDerWaalsContact CB-CD1 3.45Å; S28-F132 VanDerWaalsContact CB-CE1 3.45Å; Y59-F132 HydrophobicContact CD2-CB 4.45Å; Y59-F132 HydrophobicContact CE1-CB 3.87Å; Y59-F132 HydrophobicContact CE2-CB 3.82Å; Y59-F132 HydrophobicContact CE2-CD2 4.24Å; Y59-F132 HydrophobicContact CE2-CG 4.3Å; Y59-F132 VanDerWaalsContact CZ-CB 3.49Å; Y59-F132 PolarHBondContact N-O 2.7Å; Y59-F132 PolarHBondContact O-N 3.23Å; T61-F132 HydrophobicContact CG2-CD2 3.62Å; T61-F132 HydrophobicContact CG2-CE2 3.68Å; T61-F132 WeakPolarHBondContact OG1-CE2 3.38Å; Q130-F132 HydrophobicContact CG-CE2 3.72Å; Q130-F132 HydrophobicContact CG-CZ 4.19Å
133	Y	97.9	Very high	93.3	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.027	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.1	170.3	76.4	-91.4	0	0	0	111.4	M22 Y26 G27 F29 I48 I56 K57	M22-Y133 HydrophobicContact CB-CE1 4.3Å; M22-Y133 HydrophobicContact CE-CE1 3.7Å; M22-Y133 HydrophobicContact SD-CE1 4.01Å; Y26-Y133 CarbonylContact C-O 3.45Å; Y26-Y133 WeakPolarHBondContact CA-O 3.32Å; Y26-Y133 WeakPolarHBondContact CB-O 3.23Å; G27-Y133 PolarHBondContact N-O 3Å; G27-Y133 PolarHBondContact O-N 2.98Å; F29-Y133 HydrophobicContact CD1-CD1 4.44Å; F29-Y133 HydrophobicContact CE1-CD1 4.27Å; I48-Y133 HydrophobicContact CD1-CD1 3.85Å; I48-Y133 HydrophobicContact CD1-CE1 4.31Å; I48-Y133 HydrophobicContact CD1-CG 4.13Å; I48-Y133 HydrophobicContact CG1-CD1 4.43Å; I48-Y133 HydrophobicContact CG1-CE1 4.41Å; I48-Y133 HydrophobicContact CG2-CD1 4.19Å; I48-Y133 HydrophobicContact CG2-CD2 3.69Å; I48-Y133 HydrophobicContact CG2-CE1 4.02Å; I48-Y133 HydrophobicContact CG2-CE2 3.54Å; I48-Y133 HydrophobicContact CG2-CG 4.03Å; I56-Y133 HydrophobicContact CG2-CD2 4.39Å; K57-Y133 CarbonylContact O-C 3.58Å; K57-Y133 WeakPolarHBondContact O-CA 3.42Å
134	T	97.9	Very high	93.5	Very high	44 Å²	44	53 Å²	53	27%	0.27	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.6	170.1	57.7	0	0	0	0	109.4	L25 K57	L25-T134 CarbonylContact O-C 3.58Å; L25-T134 VanDerWaalsContact O-CA 3.31Å; L25-T134 WeakPolarHBondContact O-CA 3.43Å; K57-T134 WeakPolarHBondContact CB-O 3.38Å; K57-T134 PolarHBondContact N-O 3.07Å; K57-T134 PolarHBondContact O-N 2.71Å
135	S	96.8	Very high	93.4	Very high	21 Å²	21	54.5 Å²	54.5	15%	0.147	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137	168.8	65.8	0	0	0	0	110.3	L25 R55	L25-S135 VanDerWaalsContact CA-OG 3.29Å; L25-S135 WeakPolarHBondContact CA-OG 3.34Å; L25-S135 WeakPolarHBondContact CD2-OG 3.41Å; L25-S135 PolarHBondContact O-N 3.08Å; L25-S135 PolarHBondContact O-OG 2.94Å; R55-S135 CarbonylContact O-C 3.57Å; R55-S135 VanDerWaalsContact O-CA 3.3Å; R55-S135 WeakPolarHBondContact O-CA 3.29Å
136	E	95.3	Very high	93	Very high	50 Å²	50	54.2 Å²	54.2	23%	0.234	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.2	170.3	-65.8	-175.5	167.6	0	0	109.2	H54 R55 K57	H54-E136 CarbonylContact C-O 3.6Å; H54-E136 VanDerWaalsContact CA-O 3.23Å; H54-E136 WeakPolarHBondContact CA-O 3.39Å; H54-E136 WeakPolarHBondContact CB-O 3.33Å; R55-E136 HydrophobicContact CG-CB 4.24Å; R55-E136 IonicContact CZ-OE2 3.57Å; R55-E136 PolarHBondContact N-O 3.45Å; R55-E136 IonicContact NE-OE2 2.64Å; R55-E136 IonicContact NH2-OE2 2.8Å; R55-E136 PolarHBondContact NH2-OE2 3.45Å; R55-E136 PolarHBondContact O-N 2.94Å; K57-E136 HydrophobicContact CB-CG 4.49Å; K57-E136 HydrophobicContact CD-CG 4.37Å; K57-E136 WeakPolarHBondContact CD-OE1 3.26Å; K57-E136 IonicContact NZ-OE1 3.05Å; K57-E136 PolarHBondContact NZ-OE1 2.04Å
137	D	96.4	Very high	92.4	Very high	46 Å²	46	55.4 Å²	55.4	25%	0.246	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	134.2	171.5	-179.9	56.6	0	0	0	110.7	N157 I159 G160	D137-N157 PolarHBondContact OD2-ND2 3.28Å; D137-I159 WeakPolarHBondContact OD1-CA 2.99Å; D137-G160 PolarHBondContact OD1-N 2.8Å
138	I	94.8	Very high	91.7	Very high	39 Å²	39	60.3 Å²	60.3	20%	0.2	32%	0.321	C	S	.	.			trans	-84.5	123.9	173	-63.3	172.7	0	0	0	107.2	G53 R55 E140 N157	G53-I138 WeakPolarHBondContact O-CB 3.48Å; G53-I138 PolarHBondContact O-N 3.38Å; R55-I138 HydrophobicContact CB-CD1 4.17Å; R55-I138 HydrophobicContact CB-CG1 4.02Å; R55-I138 HydrophobicContact CG-CG1 4.1Å; I138-E140 HydrophobicContact CG2-CG 4.24Å; I138-E140 PolarHBondContact O-N 3.01Å; I138-N157 PolarHBondContact O-OD1 3.02Å
139	N	94.6	Very high	91.2	Very high	61 Å²	61	69.1 Å²	69.1	33%	0.326	35%	0.354	S	S	.	.			trans	-86.8	91.3	173.2	-171.4	-24.1	0	0	0	110.8	C141 L142 N157	N139-C141 PolarHBondContact O-N 3.06Å; N139-C141 VanDerWaalsContact OD1-CB 3.32Å; N139-C141 WeakPolarHBondContact OD1-CB 3.16Å; N139-C141 PolarHBondContact OD1-N 3.02Å; N139-C141 VanDerWaalsContact OD1-N 3.17Å; N139-L142 HydrophobicContact CB-CD1 4.13Å; N139-L142 HydrophobicContact CB-CG 4.26Å; N139-L142 PolarHBondContact O-N 3.3Å; N139-L142 VanDerWaalsContact O-N 3.1Å; N139-N157 WeakPolarHBondContact CA-OD1 3.43Å
140	E	94.3	Very high	90.9	Very high	31 Å²	31	69.9 Å²	69.9	15%	0.145	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-66	-19.4	-177.2	-58.9	92.8	156.2	0	0	113.1	I138 L142 S143 V150 N157 G161 Y162	I138-E140 HydrophobicContact CG2-CG 4.24Å; I138-E140 PolarHBondContact O-N 3.01Å; E140-L142 PolarHBondContact O-N 3.13Å; E140-S143 WeakPolarHBondContact O-CB 3.35Å; E140-S143 PolarHBondContact O-N 2.81Å; E140-S143 VanDerWaalsContact O-N 3.09Å; E140-V150 VanDerWaalsContact O-CG2 3.31Å; E140-V150 WeakPolarHBondContact O-CG2 3.26Å; E140-N157 PolarHBondContact OE2-OD1 2.78Å; E140-N157 VanDerWaalsContact OE2-OD1 3.13Å; E140-G161 WeakPolarHBondContact OE1-CA 3.24Å; E140-Y162 HydrophobicContact CB-CD1 3.57Å; E140-Y162 HydrophobicContact CB-CE1 4.11Å; E140-Y162 HydrophobicContact CB-CG 3.84Å; E140-Y162 HydrophobicContact CG-CD1 3.63Å; E140-Y162 HydrophobicContact CG-CE1 4.13Å; E140-Y162 HydrophobicContact CG-CG 4.35Å
141	C	94.6	Very high	90.6	Very high	43 Å²	43	67 Å²	67	29%	0.291	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-69.5	-17.6	176	-57.9	0	0	0	0	113.5	N139 C155 N157	N139-C141 PolarHBondContact O-N 3.06Å; N139-C141 VanDerWaalsContact OD1-CB 3.32Å; N139-C141 WeakPolarHBondContact OD1-CB 3.16Å; N139-C141 PolarHBondContact OD1-N 3.02Å; N139-C141 VanDerWaalsContact OD1-N 3.17Å; C141-C155 WeakPolarHBondContact CA-SG 3.12Å; C141-C155 HydrophobicContact CB-CB 3.69Å; C141-C155 WeakPolarHBondContact CB-SG 3.46Å; C141-C155 WeakPolarHBondContact SG-CB 3.22Å; C141-C155 CovalentContact SG-SG 2.04Å; C141-C155 PolarHBondContact SG-SG 2.83Å; C141-N157 PolarHBondContact SG-N 3.19Å
142	L	91.9	Very high	90.1	Very high	143 Å²	143	71.2 Å²	71.2	75%	0.749	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-91.3	-15.8	172.5	-59	-179.8	0	0	0	112.3	N139 E140	N139-L142 HydrophobicContact CB-CD1 4.13Å; N139-L142 HydrophobicContact CB-CG 4.26Å; N139-L142 PolarHBondContact O-N 3.3Å; N139-L142 VanDerWaalsContact O-N 3.1Å; E140-L142 PolarHBondContact O-N 3.13Å
143	S	84.8	Confident	89.6	Confident	53 Å²	53	70.4 Å²	70.4	37%	0.371	37%	0.365	S	S	.	.			trans	-77.5	152.1	-179.5	-61.6	0	0	0	0	111.8	E140	E140-S143 WeakPolarHBondContact O-CB 3.35Å; E140-S143 PolarHBondContact O-N 2.81Å; E140-S143 VanDerWaalsContact O-N 3.09Å
144	R	83.8	Confident	89.5	Confident	171 Å²	171	74.5 Å²	74.5	65%	0.645	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	135.5	171.1	-66.9	-178.3	178.7	-124.2	8.3	109.4	G147 E148	R144-G147 PolarHBondContact NH1-O 2.04Å; R144-E148 CarbonylContact C-O 3.57Å; R144-E148 WeakPolarHBondContact CA-O 3.17Å; R144-E148 WeakPolarHBondContact CB-O 3.11Å
145	V	77.8	Confident	89.4	Confident	78 Å²	78	74.4 Å²	74.4	47%	0.473	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.7	173.9	-177.1	0	0	0	0	106.1	G147 E148 V150	V145-G147 PolarHBondContact O-N 3.46Å; V145-G147 VanDerWaalsContact O-N 3.1Å; V145-E148 PolarHBondContact N-O 2.89Å; V145-E148 PolarHBondContact O-N 2.77Å; V145-V150 HydrophobicContact CG2-CG2 4.37Å
146	D	78	Confident	89.4	Confident	164 Å²	164	76.4 Å²	76.4	88%	0.877	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	32.6	-176.4	-56.2	-38.6	0	0	0	114.5	E148	D146-E148 VanDerWaalsContact C-N 3.26Å; D146-E148 PolarHBondContact O-N 3.15Å
147	G	79.7	Confident	89.5	Confident	49 Å²	49	76.6 Å²	76.6	51%	0.505	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-11.5	-178.9	0	0	0	0	0	114.8	R144 V145	R144-G147 PolarHBondContact NH1-O 2.04Å; V145-G147 PolarHBondContact O-N 3.46Å; V145-G147 VanDerWaalsContact O-N 3.1Å
148	E	80.6	Confident	89.5	Confident	146 Å²	146	80 Å²	80	68%	0.682	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	158.2	179.5	-62.6	-167	167.4	0	0	112.6	R144 V145 D146	R144-E148 CarbonylContact C-O 3.57Å; R144-E148 WeakPolarHBondContact CA-O 3.17Å; R144-E148 WeakPolarHBondContact CB-O 3.11Å; V145-E148 PolarHBondContact N-O 2.89Å; V145-E148 PolarHBondContact O-N 2.77Å; D146-E148 VanDerWaalsContact C-N 3.26Å; D146-E148 PolarHBondContact O-N 3.15Å
149	R	85.8	Confident	89.6	Confident	185 Å²	185	84.6 Å²	84.6	70%	0.698	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	148.7	175.8	-67.4	-176.8	-179.1	-175.1	-0.6	109.7	C151	R149-C151 VanDerWaalsContact C-N 3.26Å; R149-C151 PolarHBondContact O-N 3.31Å
150	V	90.4	Very high	89.5	Confident	15 Å²	15	82.9 Å²	82.9	9%	0.091	42%	0.424	C	S	.	.	S	Bend	trans	-65.7	-29.4	-178.6	-167.6	0	0	0	0	113	E140 V145 Y162	E140-V150 VanDerWaalsContact O-CG2 3.31Å; E140-V150 WeakPolarHBondContact O-CG2 3.26Å; V145-V150 HydrophobicContact CG2-CG2 4.37Å; V150-Y162 HydrophobicContact CB-CE2 4.2Å; V150-Y162 HydrophobicContact CG1-CD2 4.32Å; V150-Y162 HydrophobicContact CG1-CE1 4.11Å; V150-Y162 HydrophobicContact CG1-CE2 3.35Å; V150-Y162 WeakPolarHBondContact CG1-OH 3.48Å
151	C	91.3	Very high	89.6	Confident	5 Å²	5	81.7 Å²	81.7	3%	0.034	42%	0.42	C	S	.	.	S	Bend	trans	-116.5	141.2	174.2	-60.8	0	0	0	0	110.5	R149 C155 C164	R149-C151 VanDerWaalsContact C-N 3.26Å; R149-C151 PolarHBondContact O-N 3.31Å; C151-C155 HydrophobicContact CB-CB 3.85Å; C151-C155 VanDerWaalsContact SG-CA 3.57Å; C151-C155 WeakPolarHBondContact SG-CB 3.14Å; C151-C155 VanDerWaalsContact SG-SG 3.64Å; C151-C164 WeakPolarHBondContact CA-SG 3.04Å; C151-C164 HydrophobicContact CB-CB 3.61Å; C151-C164 WeakPolarHBondContact CB-SG 3.02Å; C151-C164 WeakPolarHBondContact SG-CA 3.49Å; C151-C164 WeakPolarHBondContact SG-CB 3.4Å; C151-C164 CovalentContact SG-SG 2.02Å; C151-C164 PolarHBondContact SG-SG 3.38Å
152	D	87	Confident	89.7	Confident	88 Å²	88	82 Å²	82	47%	0.471	42%	0.415	S	S	.	.	S	Bend	trans	-66	-49.2	179.4	179.9	22.9	0	0	0	112.2	R177 C179	D152-R177 PolarHBondContact N-O 2.98Å; D152-R177 VanDerWaalsContact N-O 3.11Å; D152-C179 HydrophobicContact CB-CB 4.5Å; D152-C179 VanDerWaalsContact OD2-CB 3.31Å; D152-C179 WeakPolarHBondContact OD2-CB 3.28Å; D152-C179 PolarHBondContact OD2-N 2.8Å
153	H	88.9	Confident	89.9	Confident	39 Å²	39	81 Å²	81	18%	0.181	40%	0.403	C	S	.	.	S	Bend	trans	-104.6	-80.5	178.9	-75	159	0	0	0	113.7	T165 K167 H170 C179	H153-T165 WeakPolarHBondContact CB-O 3.3Å; H153-K167 HydrophobicContact CB-CG 4.42Å; H153-K167 PolarHBondContact ND1-N 3.1Å; H153-H170 AromaticContact CE1-CD2 3.69Å; H153-H170 AromaticContact CE1-CG 3.77Å; H153-H170 AromaticContact CE1-NE2 3.94Å; H153-C179 WeakPolarHBondContact ND1-CB 3.48Å; H153-C179 PolarHBondContact ND1-SG 3.33Å
154	F	94.3	Very high	90.4	Very high	93 Å²	93	78.7 Å²	78.7	41%	0.408	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.6	-174.8	-56	-64.5	0	0	0	109.9	C164 T165 K167	F154-C164 CarbonylContact O-C 3.54Å; F154-C164 VanDerWaalsContact O-CA 3.24Å; F154-C164 WeakPolarHBondContact O-CA 3.34Å; F154-T165 PolarHBondContact N-O 3.29Å; F154-T165 PolarHBondContact O-N 3.43Å; F154-K167 HydrophobicContact CD2-CG 4.5Å; F154-K167 HydrophobicContact CE2-CB 4.26Å; F154-K167 HydrophobicContact CE2-CG 3.5Å; F154-K167 VanDerWaalsContact CE2-CG 3.5Å; F154-K167 HydrophobicContact CZ-CG 3.63Å
155	C	97.1	Very high	91	Very high	42 Å²	42	72.9 Å²	72.9	28%	0.284	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136	174.2	-174.7	0	0	0	0	109.7	C141 C151	C141-C155 WeakPolarHBondContact CA-SG 3.12Å; C141-C155 HydrophobicContact CB-CB 3.69Å; C141-C155 WeakPolarHBondContact CB-SG 3.46Å; C141-C155 WeakPolarHBondContact SG-CB 3.22Å; C141-C155 CovalentContact SG-SG 2.04Å; C141-C155 PolarHBondContact SG-SG 2.83Å; C151-C155 HydrophobicContact CB-CB 3.85Å; C151-C155 VanDerWaalsContact SG-CA 3.57Å; C151-C155 WeakPolarHBondContact SG-CB 3.14Å; C151-C155 VanDerWaalsContact SG-SG 3.64Å
156	H	96.9	Very high	91.6	Very high	63 Å²	63	70.5 Å²	70.5	29%	0.292	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	112.4	178.5	-55.1	-89.6	0	0	0	108.6	Y162 Y163 T165	H156-Y162 CarbonylContact O-C 3.59Å; H156-Y162 WeakPolarHBondContact O-CA 3.43Å; H156-Y162 WeakPolarHBondContact O-CB 3.49Å; H156-Y163 HydrophobicContact CB-CD1 4Å; H156-Y163 HydrophobicContact CB-CD2 4.12Å; H156-Y163 HydrophobicContact CB-CE1 3.58Å; H156-Y163 HydrophobicContact CB-CE2 3.71Å; H156-Y163 HydrophobicContact CB-CG 4.25Å; H156-Y163 VanDerWaalsContact CB-CZ 3.41Å; H156-Y163 AromaticContact CD2-CD2 3.89Å; H156-Y163 AromaticContact CD2-CE2 3.5Å; H156-Y163 VanDerWaalsContact CD2-CE2 3.5Å; H156-Y163 WeakPolarHBondContact CD2-CE2 2.99Å; H156-Y163 AromaticContact CG-CE2 3.61Å; H156-Y163 AromaticContact CG-CZ 3.67Å; H156-Y163 PolarHBondContact N-O 2.81Å; H156-Y163 PolarHBondContact O-N 3.32Å; H156-T165 PolarHBondContact NE2-OG1 3.22Å
157	N	96.8	Very high	92.1	Very high	55 Å²	55	67.7 Å²	67.7	29%	0.294	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	142.1	175.3	-168.9	68.2	0	0	0	110.6	D137 I138 N139 E140 C141	D137-N157 PolarHBondContact OD2-ND2 3.28Å; I138-N157 PolarHBondContact O-OD1 3.02Å; N139-N157 WeakPolarHBondContact CA-OD1 3.43Å; E140-N157 PolarHBondContact OE2-OD1 2.78Å; E140-N157 VanDerWaalsContact OE2-OD1 3.13Å; C141-N157 PolarHBondContact SG-N 3.19Å
158	Y	96.4	Very high	92.5	Very high	116 Å²	116	74.6 Å²	74.6	46%	0.455	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	166.6	168.8	63.6	-91.6	0	0	0	109.5	G160 G161 Y162 Y163	Y158-G160 PolarHBondContact O-N 2.94Å; Y158-G161 CarbonylContact C-O 3.6Å; Y158-G161 VanDerWaalsContact CD1-O 3.24Å; Y158-G161 WeakPolarHBondContact CD1-O 3.2Å; Y158-G161 VanDerWaalsContact CE1-C 3.43Å; Y158-G161 WeakPolarHBondContact CE1-O 3.45Å; Y158-G161 PolarHBondContact N-O 2.87Å; Y158-G161 PolarHBondContact O-N 2.94Å; Y158-Y162 VanDerWaalsContact CE1-C 3.46Å; Y158-Y162 VanDerWaalsContact CE1-CA 3.46Å; Y158-Y162 VanDerWaalsContact CE1-N 3.33Å; Y158-Y163 AromaticContact CD1-CD1 3.8Å; Y158-Y163 HydrophobicContact CD1-CD1 3.8Å; Y158-Y163 HydrophobicContact CD1-CE1 4.2Å; Y158-Y163 AromaticContact CE1-CD1 3.85Å; Y158-Y163 HydrophobicContact CE1-CD1 3.85Å
159	I	95.8	Very high	92.5	Very high	137 Å²	137	70 Å²	70	70%	0.703	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	114.3	-178.1	-60.5	172.1	0	0	0	109.8	D137	D137-I159 WeakPolarHBondContact OD1-CA 2.99Å
160	G	94	Very high	92.5	Very high	25 Å²	25	64.2 Å²	64.2	26%	0.258	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	8.2	179.8	0	0	0	0	0	115.2	D137 Y158	D137-G160 PolarHBondContact OD1-N 2.8Å; Y158-G160 PolarHBondContact O-N 2.94Å
161	G	95.3	Very high	92.2	Very high	6 Å²	6	68.2 Å²	68.2	6%	0.062	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.5	-163.2	171.2	0	0	0	0	0	115.1	E140 Y158	E140-G161 WeakPolarHBondContact OE1-CA 3.24Å; Y158-G161 CarbonylContact C-O 3.6Å; Y158-G161 VanDerWaalsContact CD1-O 3.24Å; Y158-G161 WeakPolarHBondContact CD1-O 3.2Å; Y158-G161 VanDerWaalsContact CE1-C 3.43Å; Y158-G161 WeakPolarHBondContact CE1-O 3.45Å; Y158-G161 PolarHBondContact N-O 2.87Å; Y158-G161 PolarHBondContact O-N 2.94Å
162	Y	96.6	Very high	92.1	Very high	48 Å²	48	71.2 Å²	71.2	19%	0.188	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	166.3	-178.8	76.7	-71.2	0	0	0	111.9	E140 V150 H156 Y158 R177	E140-Y162 HydrophobicContact CB-CD1 3.57Å; E140-Y162 HydrophobicContact CB-CE1 4.11Å; E140-Y162 HydrophobicContact CB-CG 3.84Å; E140-Y162 HydrophobicContact CG-CD1 3.63Å; E140-Y162 HydrophobicContact CG-CE1 4.13Å; E140-Y162 HydrophobicContact CG-CG 4.35Å; V150-Y162 HydrophobicContact CB-CE2 4.2Å; V150-Y162 HydrophobicContact CG1-CD2 4.32Å; V150-Y162 HydrophobicContact CG1-CE1 4.11Å; V150-Y162 HydrophobicContact CG1-CE2 3.35Å; V150-Y162 WeakPolarHBondContact CG1-OH 3.48Å; H156-Y162 CarbonylContact O-C 3.59Å; H156-Y162 WeakPolarHBondContact O-CA 3.43Å; H156-Y162 WeakPolarHBondContact O-CB 3.49Å; Y158-Y162 VanDerWaalsContact CE1-C 3.46Å; Y158-Y162 VanDerWaalsContact CE1-CA 3.46Å; Y158-Y162 VanDerWaalsContact CE1-N 3.33Å; Y162-R177 PolarHBondContact OH-NE 3.48Å; Y162-R177 PolarHBondContact OH-NH2 3.3Å
163	Y	96.8	Very high	92	Very high	124 Å²	124	69.5 Å²	69.5	49%	0.486	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.8	167.5	66.4	-88.2	0	0	0	111.2	H156 Y158 T165	H156-Y163 HydrophobicContact CB-CD1 4Å; H156-Y163 HydrophobicContact CB-CD2 4.12Å; H156-Y163 HydrophobicContact CB-CE1 3.58Å; H156-Y163 HydrophobicContact CB-CE2 3.71Å; H156-Y163 HydrophobicContact CB-CG 4.25Å; H156-Y163 VanDerWaalsContact CB-CZ 3.41Å; H156-Y163 AromaticContact CD2-CD2 3.89Å; H156-Y163 AromaticContact CD2-CE2 3.5Å; H156-Y163 VanDerWaalsContact CD2-CE2 3.5Å; H156-Y163 WeakPolarHBondContact CD2-CE2 2.99Å; H156-Y163 AromaticContact CG-CE2 3.61Å; H156-Y163 AromaticContact CG-CZ 3.67Å; H156-Y163 PolarHBondContact N-O 2.81Å; H156-Y163 PolarHBondContact O-N 3.32Å; Y158-Y163 AromaticContact CD1-CD1 3.8Å; Y158-Y163 HydrophobicContact CD1-CD1 3.8Å; Y158-Y163 HydrophobicContact CD1-CE1 4.2Å; Y158-Y163 AromaticContact CE1-CD1 3.85Å; Y158-Y163 HydrophobicContact CE1-CD1 3.85Å; Y163-T165 HydrophobicContact CD2-CG2 3.84Å; Y163-T165 HydrophobicContact CE2-CG2 3.65Å
164	C	96.1	Very high	91.9	Very high	4 Å²	4	73.6 Å²	73.6	3%	0.027	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.3	178.7	-51.8	0	0	0	0	111.3	C151 F154 L172 K176	C151-C164 WeakPolarHBondContact CA-SG 3.04Å; C151-C164 HydrophobicContact CB-CB 3.61Å; C151-C164 WeakPolarHBondContact CB-SG 3.02Å; C151-C164 WeakPolarHBondContact SG-CA 3.49Å; C151-C164 WeakPolarHBondContact SG-CB 3.4Å; C151-C164 CovalentContact SG-SG 2.02Å; C151-C164 PolarHBondContact SG-SG 3.38Å; F154-C164 CarbonylContact O-C 3.54Å; F154-C164 VanDerWaalsContact O-CA 3.24Å; F154-C164 WeakPolarHBondContact O-CA 3.34Å; C164-L172 HydrophobicContact CB-CD1 4.01Å; C164-L172 WeakPolarHBondContact O-CD2 3.33Å; C164-K176 WeakPolarHBondContact CB-O 3.2Å; C164-K176 PolarHBondContact SG-O 2.79Å; C164-K176 VanDerWaalsContact SG-O 3.4Å
165	T	95.6	Very high	91.5	Very high	49 Å²	49	72.5 Å²	72.5	30%	0.301	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	163.4	167.8	71	0	0	0	0	111.4	H153 F154 H156 Y163	H153-T165 WeakPolarHBondContact CB-O 3.3Å; F154-T165 PolarHBondContact N-O 3.29Å; F154-T165 PolarHBondContact O-N 3.43Å; H156-T165 PolarHBondContact NE2-OG1 3.22Å; Y163-T165 HydrophobicContact CD2-CG2 3.84Å; Y163-T165 HydrophobicContact CE2-CG2 3.65Å
166	C	90.9	Very high	91.2	Very high	27 Å²	27	76.7 Å²	76.7	18%	0.182	39%	0.387	C	S	.	.			trans	-111.6	153.5	-173	-58.7	0	0	0	0	112.7	H170 L172 C179	C166-H170 HydrophobicContact CB-CB 3.82Å; C166-L172 VanDerWaalsContact SG-CA 3.51Å; C166-C179 WeakPolarHBondContact CA-SG 3.44Å; C166-C179 HydrophobicContact CB-CB 3.72Å; C166-C179 WeakPolarHBondContact CB-SG 3.49Å; C166-C179 WeakPolarHBondContact SG-CA 3.29Å; C166-C179 WeakPolarHBondContact SG-CB 3.18Å; C166-C179 CovalentContact SG-SG 2.03Å; C166-C179 PolarHBondContact SG-SG 3.09Å
167	K	87.5	Confident	90.9	Very high	106 Å²	106	79.2 Å²	79.2	46%	0.461	39%	0.394	S	S	.	.			trans	-60	155.4	168.8	-68.2	173	-174.8	162.7	0	111	H153 F154 G169 H170	H153-K167 HydrophobicContact CB-CG 4.42Å; H153-K167 PolarHBondContact ND1-N 3.1Å; F154-K167 HydrophobicContact CD2-CG 4.5Å; F154-K167 HydrophobicContact CE2-CB 4.26Å; F154-K167 HydrophobicContact CE2-CG 3.5Å; F154-K167 VanDerWaalsContact CE2-CG 3.5Å; F154-K167 HydrophobicContact CZ-CG 3.63Å; K167-G169 PolarHBondContact O-N 3.18Å; K167-H170 WeakPolarHBondContact O-CB 3.34Å; K167-H170 PolarHBondContact O-N 3.17Å
168	Q	88.4	Confident	90.4	Very high	193 Å²	193	77.7 Å²	77.7	90%	0.902	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	133.8	174.4	-171.7	64	34.3	0	0	110.9	H170	Q168-H170 VanDerWaalsContact C-N 3.34Å
169	G	81.2	Confident	89.8	Confident	49 Å²	49	72.7 Å²	72.7	51%	0.505	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-1.7	-178.4	0	0	0	0	0	115.3	K167 P182	K167-G169 PolarHBondContact O-N 3.18Å; G169-P182 WeakPolarHBondContact O-CD 3.19Å
170	H	84.3	Confident	89.3	Confident	65 Å²	65	67 Å²	67	30%	0.301	34%	0.342	S	S	.	.			trans	-110.4	155.5	170.7	-65.9	69.7	0	0	0	110.7	H153 C166 K167 Q168 C179 T180	H153-H170 AromaticContact CE1-CD2 3.69Å; H153-H170 AromaticContact CE1-CG 3.77Å; H153-H170 AromaticContact CE1-NE2 3.94Å; C166-H170 HydrophobicContact CB-CB 3.82Å; K167-H170 WeakPolarHBondContact O-CB 3.34Å; K167-H170 PolarHBondContact O-N 3.17Å; Q168-H170 VanDerWaalsContact C-N 3.34Å; H170-C179 HydrophobicContact CB-CB 4.18Å; H170-T180 CarbonylContact C-O 3.53Å; H170-T180 WeakPolarHBondContact CA-O 3.45Å; H170-T180 WeakPolarHBondContact CB-O 3.01Å
171	L	85.5	Confident	88.6	Confident	98 Å²	98	67.6 Å²	67.6	51%	0.513	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.8	175.5	-61.7	179.7	0	0	0	109.5	H173 C179 T180 P182	L171-H173 PolarHBondContact O-N 2.84Å; L171-C179 CarbonylContact O-C 3.47Å; L171-C179 WeakPolarHBondContact O-CA 3.22Å; L171-T180 PolarHBondContact N-O 3.27Å; L171-T180 PolarHBondContact O-N 2.76Å; L171-T180 PolarHBondContact O-OG1 3.22Å; L171-P182 HydrophobicContact CD1-CB 3.87Å; L171-P182 HydrophobicContact CG-CB 4.35Å
172	L	88.8	Confident	87.6	Confident	68 Å²	68	70.5 Å²	70.5	36%	0.356	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.1	172.4	-174.1	70.2	0	0	0	108.5	C164 C166 K176	C164-L172 HydrophobicContact CB-CD1 4.01Å; C164-L172 WeakPolarHBondContact O-CD2 3.33Å; C166-L172 VanDerWaalsContact SG-CA 3.51Å; L172-K176 HydrophobicContact CD2-CD 4.28Å
173	H	85.6	Confident	86.8	Confident	52 Å²	52	69.3 Å²	69.3	24%	0.241	36%	0.356	C	S	.	.			trans	-66.9	163.4	177.8	-174.5	-96.8	0	0	0	111.8	L171 N175 K176 S178 T180 M207	L171-H173 PolarHBondContact O-N 2.84Å; H173-N175 PolarHBondContact ND1-N 2.78Å; H173-N175 VanDerWaalsContact ND1-N 3.1Å; H173-N175 PolarHBondContact O-N 2.97Å; H173-N175 VanDerWaalsContact O-N 3.14Å; H173-K176 PolarHBondContact O-N 3.26Å; H173-S178 WeakPolarHBondContact CB-O 3.36Å; H173-S178 PolarHBondContact N-O 2.83Å; H173-T180 HydrophobicContact CB-CG2 3.99Å; H173-M207 HydrophobicContact CB-CE 3.49Å; H173-M207 VanDerWaalsContact CB-CE 3.49Å; H173-M207 VanDerWaalsContact CD2-CE 3.42Å; H173-M207 WeakPolarHBondContact CD2-CE 3.38Å; H173-M207 WeakPolarHBondContact CE1-CE 3.38Å; H173-M207 WeakPolarHBondContact ND1-CE 3.19Å
174	D	85.4	Confident	85.9	Confident	126 Å²	126	71.7 Å²	71.7	67%	0.674	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.6	179.9	-71.1	-26.5	0	0	0	114	K176	D174-K176 PolarHBondContact O-N 3.09Å
175	N	86.3	Confident	85.4	Confident	69 Å²	69	75.4 Å²	75.4	37%	0.369	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-3.2	173.2	78.6	-9.3	0	0	0	113.6	H173 R177 S178 M207	H173-N175 PolarHBondContact ND1-N 2.78Å; H173-N175 VanDerWaalsContact ND1-N 3.1Å; H173-N175 PolarHBondContact O-N 2.97Å; H173-N175 VanDerWaalsContact O-N 3.14Å; N175-R177 PolarHBondContact O-N 2.88Å; N175-R177 VanDerWaalsContact O-N 3.08Å; N175-R177 PolarHBondContact OD1-N 2.86Å; N175-S178 PolarHBondContact ND2-OG 2.81Å; N175-S178 PolarHBondContact OD1-N 2.92Å; N175-M207 WeakPolarHBondContact ND2-CE 3.42Å
176	K	92	Very high	85.1	Confident	130 Å²	130	77.3 Å²	77.3	57%	0.565	40%	0.401	S	S	*	.	S	Bend	trans	60.1	13.7	179	-49.9	-55	179.2	-167.6	0	115.6	C164 L172 H173 D174	C164-K176 WeakPolarHBondContact CB-O 3.2Å; C164-K176 PolarHBondContact SG-O 2.79Å; C164-K176 VanDerWaalsContact SG-O 3.4Å; L172-K176 HydrophobicContact CD2-CD 4.28Å; H173-K176 PolarHBondContact O-N 3.26Å; D174-K176 PolarHBondContact O-N 3.09Å
177	R	89.2	Confident	85.3	Confident	116 Å²	116	81.1 Å²	81.1	44%	0.438	42%	0.423	S	S	.	.	S	Bend	trans	-122.4	-41.8	-177.4	-68.5	-178.1	179.5	-172.6	-4.3	113.5	D152 Y162 N175	D152-R177 PolarHBondContact N-O 2.98Å; D152-R177 VanDerWaalsContact N-O 3.11Å; Y162-R177 PolarHBondContact OH-NE 3.48Å; Y162-R177 PolarHBondContact OH-NH2 3.3Å; N175-R177 PolarHBondContact O-N 2.88Å; N175-R177 VanDerWaalsContact O-N 3.08Å; N175-R177 PolarHBondContact OD1-N 2.86Å
178	S	85.8	Confident	85.8	Confident	24 Å²	24	77.4 Å²	77.4	17%	0.168	41%	0.408	C	S	.	.			trans	-96.7	151.4	-170.6	-48.4	0	0	0	0	112.5	H173 N175 M207	H173-S178 WeakPolarHBondContact CB-O 3.36Å; H173-S178 PolarHBondContact N-O 2.83Å; N175-S178 PolarHBondContact ND2-OG 2.81Å; N175-S178 PolarHBondContact OD1-N 2.92Å; S178-M207 VanDerWaalsContact CB-CE 3.4Å; S178-M207 WeakPolarHBondContact CB-SD 3.46Å; S178-M207 PolarHBondContact OG-SD 3.49Å
179	C	85.1	Confident	86.2	Confident	11 Å²	11	72.9 Å²	72.9	7%	0.074	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.7	179.9	-67.5	0	0	0	0	111.1	D152 H153 C166 H170 L171	D152-C179 HydrophobicContact CB-CB 4.5Å; D152-C179 VanDerWaalsContact OD2-CB 3.31Å; D152-C179 WeakPolarHBondContact OD2-CB 3.28Å; D152-C179 PolarHBondContact OD2-N 2.8Å; H153-C179 WeakPolarHBondContact ND1-CB 3.48Å; H153-C179 PolarHBondContact ND1-SG 3.33Å; C166-C179 WeakPolarHBondContact CA-SG 3.44Å; C166-C179 HydrophobicContact CB-CB 3.72Å; C166-C179 WeakPolarHBondContact CB-SG 3.49Å; C166-C179 WeakPolarHBondContact SG-CA 3.29Å; C166-C179 WeakPolarHBondContact SG-CB 3.18Å; C166-C179 CovalentContact SG-SG 2.03Å; C166-C179 PolarHBondContact SG-SG 3.09Å; H170-C179 HydrophobicContact CB-CB 4.18Å; L171-C179 CarbonylContact O-C 3.47Å; L171-C179 WeakPolarHBondContact O-CA 3.22Å
180	T	84.1	Confident	86.9	Confident	17 Å²	17	74.1 Å²	74.1	10%	0.104	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	156.3	-178.3	59.5	0	0	0	0	110.5	H170 L171 H173 M207	H170-T180 CarbonylContact C-O 3.53Å; H170-T180 WeakPolarHBondContact CA-O 3.45Å; H170-T180 WeakPolarHBondContact CB-O 3.01Å; L171-T180 PolarHBondContact N-O 3.27Å; L171-T180 PolarHBondContact O-N 2.76Å; L171-T180 PolarHBondContact O-OG1 3.22Å; H173-T180 HydrophobicContact CB-CG2 3.99Å; T180-M207 HydrophobicContact CG2-CB 3.58Å; T180-M207 WeakPolarHBondContact CG2-O 3.39Å
181	V	79.9	Confident	87.5	Confident	37 Å²	37	73.8 Å²	73.8	22%	0.224	40%	0.403	C	S	.	.			trans	-83.7	141.8	165.5	-60.3	0	0	0	0	109.1	C183 P198 P205	V181-C183 PolarHBondContact O-N 3.37Å; V181-P198 HydrophobicContact CG2-CB 4.39Å; V181-P205 HydrophobicContact CG1-CB 4.49Å; V181-P205 HydrophobicContact CG1-CG 4.23Å; V181-P205 HydrophobicContact CG2-CB 3.93Å; V181-P205 HydrophobicContact CG2-CG 3.56Å
182	P	74.9	Confident	88.1	Confident	67 Å²	67	72.5 Å²	72.5	44%	0.435	40%	0.402	S	S	.	.			trans	-64.9	110.1	172	24.4	-30.2	0	0	0	109.6	G169 L171 K184	G169-P182 WeakPolarHBondContact O-CD 3.19Å; L171-P182 HydrophobicContact CD1-CB 3.87Å; L171-P182 HydrophobicContact CG-CB 4.35Å; P182-K184 PolarHBondContact O-N 3.18Å; P182-K184 VanDerWaalsContact O-N 3.17Å
183	C	78.5	Confident	88.5	Confident	23 Å²	23	70.5 Å²	70.5	16%	0.155	40%	0.398	C	S	.	.			trans	-67.6	109.2	159.2	-56	0	0	0	0	107.3	V181 S185 C210	V181-C183 PolarHBondContact O-N 3.37Å; C183-S185 PolarHBondContact O-N 2.88Å; C183-C210 HydrophobicContact CB-CB 3.42Å; C183-C210 VanDerWaalsContact CB-CB 3.42Å; C183-C210 WeakPolarHBondContact CB-SG 3.33Å; C183-C210 VanDerWaalsContact SG-CA 3.57Å; C183-C210 WeakPolarHBondContact SG-CB 3.16Å; C183-C210 CovalentContact SG-SG 2.05Å; C183-C210 PolarHBondContact SG-SG 2.96Å
184	K	79.8	Confident	89.1	Confident	174 Å²	174	70.2 Å²	70.2	76%	0.757	41%	0.405	S	S	*	.			trans	-64.2	111.7	170.9	-72.4	-175.3	-179.8	-179.5	0	108	P182 Q186 H212	P182-K184 PolarHBondContact O-N 3.18Å; P182-K184 VanDerWaalsContact O-N 3.17Å; K184-Q186 WeakPolarHBondContact O-CG 3.47Å; K184-Q186 PolarHBondContact O-N 2.81Å; K184-H212 PolarHBondContact O-CE1 2.85Å
185	S	84.9	Confident	89.6	Confident	82 Å²	82	64.3 Å²	64.3	57%	0.573	37%	0.373	S	S	*	.			trans	-56	127.7	167.2	-75.1	0	0	0	0	109.3	C183 N211	C183-S185 PolarHBondContact O-N 2.88Å; S185-N211 WeakPolarHBondContact CA-O 3.41Å; S185-N211 WeakPolarHBondContact CB-O 3.43Å; S185-N211 PolarHBondContact OG-O 3Å
186	Q	89.8	Confident	90	Very high	90 Å²	90	63.9 Å²	63.9	42%	0.421	37%	0.373	S	S	.	.			trans	-111.3	136.1	-179.2	-62.4	179.6	-17.3	0	0	108.9	K184 L188 H212 T213	K184-Q186 WeakPolarHBondContact O-CG 3.47Å; K184-Q186 PolarHBondContact O-N 2.81Å; Q186-L188 HydrophobicContact CB-CD1 3.71Å; Q186-H212 WeakPolarHBondContact CB-ND1 3.21Å; Q186-H212 PolarHBondContact N-ND1 3.05Å; Q186-H212 CarbonylContact O-C 3.54Å; Q186-H212 WeakPolarHBondContact O-CA 3.23Å; Q186-T213 PolarHBondContact O-N 3.45Å
187	V	95.3	Very high	90.1	Very high	106 Å²	106	57.7 Å²	57.7	64%	0.642	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.7	166	-176.7	0	0	0	0	107	T189 T213	V187-T189 HydrophobicContact CG1-CG2 4.35Å; V187-T213 CarbonylContact C-O 3.49Å; V187-T213 VanDerWaalsContact CA-O 3.25Å; V187-T213 WeakPolarHBondContact CA-O 3.4Å
188	L	96.6	Very high	90.1	Very high	28 Å²	28	53.5 Å²	53.5	15%	0.147	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.3	-178.1	-63.1	93.3	0	0	0	109.5	Q186 L195 T213 I214 S215 Y292	Q186-L188 HydrophobicContact CB-CD1 3.71Å; L188-L195 HydrophobicContact CD1-CD1 4.47Å; L188-L195 HydrophobicContact CD1-CD2 3.53Å; L188-L195 HydrophobicContact CD1-CG 4.2Å; L188-L195 HydrophobicContact CD2-CD2 4.3Å; L188-T213 PolarHBondContact N-O 3.42Å; L188-I214 HydrophobicContact CB-CG1 4.39Å; L188-I214 HydrophobicContact CD1-CG1 4.44Å; L188-I214 CarbonylContact O-C 3.54Å; L188-I214 WeakPolarHBondContact O-CA 3.38Å; L188-S215 PolarHBondContact O-N 3Å; L188-Y292 HydrophobicContact CB-CE1 4.32Å; L188-Y292 WeakPolarHBondContact CB-OH 3.46Å; L188-Y292 HydrophobicContact CD2-CE1 3.74Å
189	T	97.1	Very high	90.3	Very high	99 Å²	99	54.6 Å²	54.6	61%	0.607	35%	0.349	S	S	*	.			trans	-116.8	-1.6	-176.1	59.4	0	0	0	0	113.3	V187 S215 L216	V187-T189 HydrophobicContact CG1-CG2 4.35Å; T189-S215 WeakPolarHBondContact CA-O 3.45Å; T189-L216 WeakPolarHBondContact O-CD2 3.42Å
190	S	97.2	Very high	90.7	Very high	74 Å²	74	56 Å²	56	52%	0.517	35%	0.353	S	S	.	.	S	Bend	trans	-80.5	144.2	177.3	-61.2	0	0	0	0	110.9	S192 L216 Y292	S190-S192 PolarHBondContact O-N 2.89Å; S190-L216 WeakPolarHBondContact O-CD2 3.21Å; S190-Y292 WeakPolarHBondContact O-CE2 3.15Å; S190-Y292 PolarHBondContact O-OH 3.06Å
191	A	96.2	Very high	91.2	Very high	59 Å²	59	58.7 Å²	58.7	49%	0.488	37%	0.371	S	S	.	.	S	Bend	trans	-58.4	-17	179.7	0	0	0	0	0	115.1	T293 S294	A191-T293 CarbonylContact O-C 3.58Å; A191-S294 WeakPolarHBondContact CA-OG 3.32Å; A191-S294 WeakPolarHBondContact CB-OG 3.45Å; A191-S294 PolarHBondContact O-N 3.03Å; A191-S294 PolarHBondContact O-OG 2.99Å; A191-S294 VanDerWaalsContact O-OG 3.08Å
192	S	97.8	Very high	91.9	Very high	71 Å²	71	62.2 Å²	62.2	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.7	169.8	63.4	0	0	0	0	110.5	S190 Y292	S190-S192 PolarHBondContact O-N 2.89Å; S192-Y292 VanDerWaalsContact CA-O 3.25Å; S192-Y292 WeakPolarHBondContact CA-O 3.17Å; S192-Y292 WeakPolarHBondContact CB-O 3.31Å; S192-Y292 PolarHBondContact O-OH 2.94Å
193	G	97.3	Very high	92.8	Very high	26 Å²	26	62.3 Å²	62.3	27%	0.268	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-165.3	179.3	0	0	0	0	0	112.1	K291 Y292	G193-K291 WeakPolarHBondContact O-CA 3.3Å; G193-Y292 VanDerWaalsContact C-CD1 3.46Å; G193-Y292 VanDerWaalsContact C-CE1 3.42Å; G193-Y292 VanDerWaalsContact N-CE1 3.34Å; G193-Y292 PolarHBondContact N-O 3.04Å; G193-Y292 VanDerWaalsContact N-O 3.07Å; G193-Y292 WeakPolarHBondContact O-CD1 3.07Å; G193-Y292 PolarHBondContact O-N 2.99Å
194	A	97.3	Very high	93.4	Very high	46 Å²	46	61.4 Å²	61.4	38%	0.38	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.1	176.7	0	0	0	0	0	111.7	I290	A194-I290 CarbonylContact C-O 3.57Å; A194-I290 WeakPolarHBondContact CA-O 3.38Å; A194-I290 WeakPolarHBondContact CB-O 3.41Å
195	L	96.3	Very high	93.7	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.2	172.9	-73.2	171.6	0	0	0	108.9	L188 H212 I214 V275 W288 K289 I290	L188-L195 HydrophobicContact CD1-CD1 4.47Å; L188-L195 HydrophobicContact CD1-CD2 3.53Å; L188-L195 HydrophobicContact CD1-CG 4.2Å; L188-L195 HydrophobicContact CD2-CD2 4.3Å; L195-H212 HydrophobicContact CD1-CB 3.92Å; L195-H212 HydrophobicContact CD2-CB 3.84Å; L195-I214 HydrophobicContact CD1-CD1 4.09Å; L195-I214 HydrophobicContact CD1-CG1 4.24Å; L195-V275 HydrophobicContact CD1-CB 4.15Å; L195-V275 HydrophobicContact CD1-CG1 4.48Å; L195-V275 HydrophobicContact CD1-CG2 3.88Å; L195-W288 HydrophobicContact CB-CH2 4.17Å; L195-W288 HydrophobicContact CB-CZ3 3.79Å; L195-K289 CarbonylContact O-C 3.57Å; L195-K289 WeakPolarHBondContact O-CA 3.23Å; L195-I290 PolarHBondContact N-O 3.07Å; L195-I290 PolarHBondContact O-N 3.43Å
196	T	95.6	Very high	93.8	Very high	59 Å²	59	53.5 Å²	53.5	36%	0.362	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.9	176.3	60.5	0	0	0	0	110.7	Y200 W288 K289	T196-Y200 HydrophobicContact CG2-CD1 3.94Å; T196-Y200 HydrophobicContact CG2-CG 4.22Å; T196-W288 WeakPolarHBondContact CA-O 3.49Å; T196-K289 HydrophobicContact CG2-CB 4.01Å; T196-K289 HydrophobicContact CG2-CD 3.98Å; T196-K289 HydrophobicContact CG2-CG 3.75Å
197	S	93.8	Very high	93.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	33%	0.332	C	S	.	.			trans	-58.7	154.4	161.4	56.7	0	0	0	0	111.1	G199 Y200 G287 W288	S197-G199 PolarHBondContact O-N 3.4Å; S197-Y200 WeakPolarHBondContact O-CB 3.41Å; S197-Y200 PolarHBondContact O-N 2.6Å; S197-G287 WeakPolarHBondContact OG-CA 3.31Å; S197-W288 PolarHBondContact N-O 2.86Å; S197-W288 PolarHBondContact OG-N 2.89Å
198	P	89.9	Confident	93.1	Very high	28 Å²	28	45.2 Å²	45.2	18%	0.182	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	134	174.7	-21.3	32.1	0	0	0	111.1	V181 Y200 Y204 C210	V181-P198 HydrophobicContact CG2-CB 4.39Å; P198-Y200 PolarHBondContact O-N 3.1Å; P198-Y204 WeakPolarHBondContact O-CA 3.48Å; P198-C210 WeakPolarHBondContact CG-SG 3.45Å
199	G	88.1	Confident	92.8	Very high	48 Å²	48	49.9 Å²	49.9	50%	0.495	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-5.5	177.6	0	0	0	0	0	115.8	S197 N202	S197-G199 PolarHBondContact O-N 3.4Å; G199-N202 WeakPolarHBondContact O-CA 3.18Å; G199-N202 VanDerWaalsContact O-CB 3.26Å; G199-N202 WeakPolarHBondContact O-CB 3.38Å; G199-N202 PolarHBondContact O-N 2.94Å; G199-N202 PolarHBondContact O-ND2 3.22Å
200	Y	93.6	Very high	92.4	Very high	40 Å²	40	45.2 Å²	45.2	16%	0.157	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	135.2	-179.8	-174.6	-89.3	0	0	0	112.6	T196 S197 P198 E228 P229 W288 K289	T196-Y200 HydrophobicContact CG2-CD1 3.94Å; T196-Y200 HydrophobicContact CG2-CG 4.22Å; S197-Y200 WeakPolarHBondContact O-CB 3.41Å; S197-Y200 PolarHBondContact O-N 2.6Å; P198-Y200 PolarHBondContact O-N 3.1Å; Y200-E228 PolarHBondContact OH-O 3.1Å; Y200-P229 HydrophobicContact CE2-CG 4.15Å; Y200-P229 WeakPolarHBondContact CE2-O 3.21Å; Y200-P229 WeakPolarHBondContact OH-CD 3.43Å; Y200-P229 PolarHBondContact OH-O 3.48Å; Y200-P229 VanDerWaalsContact OH-O 3.13Å; Y200-W288 WeakPolarHBondContact CD2-O 3.27Å; Y200-K289 HydrophobicContact CD1-CB 4.27Å; Y200-K289 HydrophobicContact CD1-CD 4.33Å; Y200-K289 HydrophobicContact CE1-CB 3.69Å; Y200-K289 HydrophobicContact CE1-CD 3.7Å; Y200-K289 HydrophobicContact CE1-CG 4.32Å; Y200-K289 HydrophobicContact CE2-CB 4.05Å
201	P	95.5	Very high	92.2	Very high	73 Å²	73	45.2 Å²	45.2	47%	0.474	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.6	13.9	7.4	37.3	-37.4	0	0	0	114.7	P229	P201-P229 HydrophobicContact CB-CG 4.32Å
202	N	93.9	Very high	92.2	Very high	111 Å²	111	42.9 Å²	42.9	59%	0.594	27%	0.268	S	S	*	.	S	Bend	trans	-80.5	164.3	172.7	-56.4	-62.1	0	0	0	110.5	G199 Y204	G199-N202 WeakPolarHBondContact O-CA 3.18Å; G199-N202 VanDerWaalsContact O-CB 3.26Å; G199-N202 WeakPolarHBondContact O-CB 3.38Å; G199-N202 PolarHBondContact O-N 2.94Å; G199-N202 PolarHBondContact O-ND2 3.22Å; N202-Y204 PolarHBondContact O-N 3.37Å
203	P	93.4	Very high	92.2	Very high	69 Å²	69	41 Å²	41	45%	0.448	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-50.5	133.6	178.3	-30.1	37.8	0	0	0	113.6	K284 N285	P203-K284 WeakPolarHBondContact CB-O 3.41Å; P203-K284 VanDerWaalsContact CG-O 3.22Å; P203-K284 WeakPolarHBondContact CG-O 3.48Å; P203-N285 WeakPolarHBondContact CA-O 3.33Å
204	Y	91.6	Very high	92.2	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.02	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-72.7	152.9	174.5	51.3	-96.5	0	0	0	110.9	P198 N202 I232 E233 D243 F277 N285	P198-Y204 WeakPolarHBondContact O-CA 3.48Å; N202-Y204 PolarHBondContact O-N 3.37Å; Y204-I232 WeakPolarHBondContact OH-CA 3.35Å; Y204-E233 PolarHBondContact OH-N 2.82Å; Y204-E233 VanDerWaalsContact OH-N 3.07Å; Y204-D243 WeakPolarHBondContact CE2-OD2 3.31Å; Y204-D243 VanDerWaalsContact CZ-OD2 3.31Å; Y204-D243 PolarHBondContact OH-OD2 3.46Å; Y204-F277 HydrophobicContact CD1-CE1 4.39Å; Y204-F277 AromaticContact CD1-CZ 3.95Å; Y204-F277 HydrophobicContact CD1-CZ 3.95Å; Y204-F277 HydrophobicContact CD2-CE1 4.03Å; Y204-F277 AromaticContact CD2-CZ 3.79Å; Y204-F277 HydrophobicContact CD2-CZ 3.79Å; Y204-F277 AromaticContact CE1-CZ 3.94Å; Y204-F277 HydrophobicContact CE1-CZ 3.94Å; Y204-F277 HydrophobicContact CE2-CE1 4.48Å; Y204-F277 AromaticContact CE2-CZ 3.8Å; Y204-F277 HydrophobicContact CE2-CZ 3.8Å; Y204-F277 AromaticContact CG-CE1 3.97Å; Y204-F277 HydrophobicContact CG-CE1 3.97Å; Y204-F277 AromaticContact CG-CZ 3.85Å; Y204-F277 HydrophobicContact CG-CZ 3.85Å; Y204-F277 AromaticContact CZ-CZ 3.86Å; Y204-N285 WeakPolarHBondContact CD1-O 3.32Å; Y204-N285 HydrophobicContact CE1-CB 3.73Å; Y204-N285 WeakPolarHBondContact CE1-O 3.47Å; Y204-N285 PolarHBondContact N-O 3.3Å; Y204-N285 VanDerWaalsContact N-O 3.16Å; Y204-N285 WeakPolarHBondContact OH-CB 3.36Å
205	P	87.3	Confident	92.3	Very high	35 Å²	35	39.1 Å²	39.1	23%	0.227	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-68.8	143.7	177.3	-26.2	41.2	0	0	0	112.1	V181 S208 S279	V181-P205 HydrophobicContact CG1-CB 4.49Å; V181-P205 HydrophobicContact CG1-CG 4.23Å; V181-P205 HydrophobicContact CG2-CB 3.93Å; V181-P205 HydrophobicContact CG2-CG 3.56Å; P205-S208 PolarHBondContact O-OG 2.86Å; P205-S279 PolarHBondContact O-OG 2.88Å
206	P	86.4	Confident	92.3	Very high	55 Å²	55	39.6 Å²	39.6	36%	0.357	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	155.3	172.9	27.9	-34.5	0	0	0	110.5	S208 D280	P206-S208 PolarHBondContact O-N 2.87Å; P206-S208 VanDerWaalsContact O-N 3.14Å; P206-D280 CarbonylContact C-O 3.59Å; P206-D280 WeakPolarHBondContact CA-O 3.49Å; P206-D280 VanDerWaalsContact CB-O 3.26Å; P206-D280 WeakPolarHBondContact CB-O 3.18Å
207	M	84.6	Confident	92.3	Very high	19 Å²	19	41.4 Å²	41.4	9%	0.094	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	26.8	177.3	-59	179.2	43.2	0	0	114.1	H173 N175 S178 T180 S279 D280	H173-M207 HydrophobicContact CB-CE 3.49Å; H173-M207 VanDerWaalsContact CB-CE 3.49Å; H173-M207 VanDerWaalsContact CD2-CE 3.42Å; H173-M207 WeakPolarHBondContact CD2-CE 3.38Å; H173-M207 WeakPolarHBondContact CE1-CE 3.38Å; H173-M207 WeakPolarHBondContact ND1-CE 3.19Å; N175-M207 WeakPolarHBondContact ND2-CE 3.42Å; S178-M207 VanDerWaalsContact CB-CE 3.4Å; S178-M207 WeakPolarHBondContact CB-SD 3.46Å; S178-M207 PolarHBondContact OG-SD 3.49Å; T180-M207 HydrophobicContact CG2-CB 3.58Å; T180-M207 WeakPolarHBondContact CG2-O 3.39Å; M207-S279 VanDerWaalsContact CA-O 3.26Å; M207-S279 WeakPolarHBondContact CA-O 3.41Å; M207-S279 PolarHBondContact N-OG 2.8Å; M207-D280 WeakPolarHBondContact CG-O 3.28Å; M207-D280 PolarHBondContact N-O 3.4Å
208	S	86.1	Confident	92.3	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.014	28%	0.283	C	S	.	.			trans	-69.8	139.3	176	-68.9	0	0	0	0	109.7	P205 P206 R278 S279	P205-S208 PolarHBondContact O-OG 2.86Å; P206-S208 PolarHBondContact O-N 2.87Å; P206-S208 VanDerWaalsContact O-N 3.14Å; S208-R278 VanDerWaalsContact O-CA 3.25Å; S208-R278 WeakPolarHBondContact O-CA 3.4Å; S208-S279 WeakPolarHBondContact CB-OG 3.02Å; S208-S279 PolarHBondContact N-OG 2.79Å; S208-S279 PolarHBondContact O-N 2.87Å; S208-S279 VanDerWaalsContact O-N 3.1Å
209	Q	88.7	Confident	92.3	Very high	126 Å²	126	49.7 Å²	49.7	59%	0.589	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	99.3	169.2	-168.8	176.3	16.2	0	0	108.6
210	C	89.5	Confident	92.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.3	-177	-46.5	0	0	0	0	110.3	C183 P198 A276 F277	C183-C210 HydrophobicContact CB-CB 3.42Å; C183-C210 VanDerWaalsContact CB-CB 3.42Å; C183-C210 WeakPolarHBondContact CB-SG 3.33Å; C183-C210 VanDerWaalsContact SG-CA 3.57Å; C183-C210 WeakPolarHBondContact SG-CB 3.16Å; C183-C210 CovalentContact SG-SG 2.05Å; C183-C210 PolarHBondContact SG-SG 2.96Å; P198-C210 WeakPolarHBondContact CG-SG 3.45Å; C210-A276 CarbonylContact O-C 3.59Å; C210-A276 WeakPolarHBondContact O-CA 3.47Å; C210-F277 HydrophobicContact CB-CB 4.31Å; C210-F277 PolarHBondContact N-O 3.09Å; C210-F277 PolarHBondContact O-N 3.33Å
211	N	93.8	Very high	92.7	Very high	75 Å²	75	51.6 Å²	51.6	40%	0.401	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114.2	176.6	-65.7	-41.9	0	0	0	109.5	S185	S185-N211 WeakPolarHBondContact CA-O 3.41Å; S185-N211 WeakPolarHBondContact CB-O 3.43Å; S185-N211 PolarHBondContact OG-O 3Å
212	H	95.9	Very high	92.8	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.046	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	152.2	177	-53.9	-77.5	0	0	0	110.3	K184 Q186 L195 H274 V275	K184-H212 PolarHBondContact O-CE1 2.85Å; Q186-H212 WeakPolarHBondContact CB-ND1 3.21Å; Q186-H212 PolarHBondContact N-ND1 3.05Å; Q186-H212 CarbonylContact O-C 3.54Å; Q186-H212 WeakPolarHBondContact O-CA 3.23Å; L195-H212 HydrophobicContact CD1-CB 3.92Å; L195-H212 HydrophobicContact CD2-CB 3.84Å; H212-H274 WeakPolarHBondContact O-CA 3.28Å; H212-V275 HydrophobicContact CB-CB 4.35Å; H212-V275 PolarHBondContact N-O 3.14Å; H212-V275 PolarHBondContact O-N 2.99Å
213	T	97.6	Very high	93.1	Very high	30 Å²	30	44.5 Å²	44.5	18%	0.184	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.6	174.8	-58.4	0	0	0	0	109	Q186 V187 L188 Q272 V273 H274	Q186-T213 PolarHBondContact O-N 3.45Å; V187-T213 CarbonylContact C-O 3.49Å; V187-T213 VanDerWaalsContact CA-O 3.25Å; V187-T213 WeakPolarHBondContact CA-O 3.4Å; L188-T213 PolarHBondContact N-O 3.42Å; T213-Q272 HydrophobicContact CG2-CG 4.32Å; T213-V273 CarbonylContact C-O 3.53Å; T213-V273 WeakPolarHBondContact CA-O 3.39Å; T213-H274 PolarHBondContact OG1-ND1 2.71Å
214	I	98.1	Very high	93.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.7	166.8	-54.1	165.2	0	0	0	105.5	L188 L195 L216 I222 L224 Q272 V273 Y292	L188-I214 HydrophobicContact CB-CG1 4.39Å; L188-I214 HydrophobicContact CD1-CG1 4.44Å; L188-I214 CarbonylContact O-C 3.54Å; L188-I214 WeakPolarHBondContact O-CA 3.38Å; L195-I214 HydrophobicContact CD1-CD1 4.09Å; L195-I214 HydrophobicContact CD1-CG1 4.24Å; I214-L216 HydrophobicContact CG2-CG 4.35Å; I214-I222 HydrophobicContact CB-CD1 4.14Å; I214-I222 HydrophobicContact CG2-CD1 3.65Å; I214-I222 HydrophobicContact CG2-CG1 4.41Å; I214-L224 HydrophobicContact CD1-CD2 4.06Å; I214-Q272 WeakPolarHBondContact O-CA 3.33Å; I214-V273 HydrophobicContact CB-CB 4.42Å; I214-V273 PolarHBondContact N-O 2.89Å; I214-V273 PolarHBondContact O-N 3.28Å; I214-Y292 HydrophobicContact CD1-CD1 3.73Å; I214-Y292 HydrophobicContact CD1-CD2 4.2Å; I214-Y292 HydrophobicContact CD1-CE1 4.21Å; I214-Y292 HydrophobicContact CD1-CG 3.73Å; I214-Y292 HydrophobicContact CG1-CD1 4.38Å; I214-Y292 HydrophobicContact CG1-CE1 4.38Å; I214-Y292 HydrophobicContact CG2-CD2 3.91Å; I214-Y292 HydrophobicContact CG2-CE2 3.6Å; I214-Y292 HydrophobicContact CG2-CG 4.5Å
215	S	97.4	Very high	93.6	Very high	34 Å²	34	43.5 Å²	43.5	24%	0.238	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	108.2	-176.5	-165.2	0	0	0	0	109.5	L188 T189 Q272	L188-S215 PolarHBondContact O-N 3Å; T189-S215 WeakPolarHBondContact CA-O 3.45Å; S215-Q272 PolarHBondContact OG-NE2 2.95Å
216	L	96.5	Very high	94.1	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.058	23%	0.234	C	C	.	.			trans	-108.8	168.7	-180	-57.9	-175.2	0	0	0	110.4	T189 S190 I214 I222 Y271	T189-L216 WeakPolarHBondContact O-CD2 3.42Å; S190-L216 WeakPolarHBondContact O-CD2 3.21Å; I214-L216 HydrophobicContact CG2-CG 4.35Å; L216-I222 HydrophobicContact CD1-CD1 4.07Å; L216-I222 HydrophobicContact CD1-CG1 3.64Å; L216-I222 HydrophobicContact CG-CD1 4.12Å; L216-I222 HydrophobicContact CG-CG1 4.25Å; L216-Y271 PolarHBondContact N-O 2.84Å; L216-Y271 VanDerWaalsContact O-CD2 3.23Å; L216-Y271 WeakPolarHBondContact O-CD2 3.48Å
217	P	95.9	Very high	94.7	Very high	98 Å²	98	43.1 Å²	43.1	64%	0.636	23%	0.233	S	C	*	.			trans	-57.4	147.2	173.4	-24.6	35.4	0	0	0	112.3	S220 Y271	P217-S220 VanDerWaalsContact O-CB 3.25Å; P217-S220 WeakPolarHBondContact O-CB 3.37Å; P217-S220 PolarHBondContact O-N 2.9Å; P217-S220 VanDerWaalsContact O-N 3.11Å; P217-S220 PolarHBondContact O-OG 3.08Å; P217-Y271 WeakPolarHBondContact O-CB 3.43Å
218	E	93.3	Very high	95.2	Very high	157 Å²	157	49.4 Å²	49.4	73%	0.734	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	141.7	173.9	-67.5	-173.1	174.1	0	0	111.4	S220 Y271	E218-S220 VanDerWaalsContact C-N 3.33Å; E218-Y271 HydrophobicContact CG-CD1 4.36Å; E218-Y271 HydrophobicContact CG-CE1 3.89Å; E218-Y271 HydrophobicContact CG-CE2 4.14Å
219	G	91.2	Very high	95.7	Very high	45 Å²	45	51.8 Å²	51.8	46%	0.464	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-1.2	-171.7	0	0	0	0	0	114.4	A297	G219-A297 VanDerWaalsContact O-CB 3.28Å; G219-A297 WeakPolarHBondContact O-CB 3.37Å; G219-A297 PolarHBondContact O-N 2.85Å
220	S	95.1	Very high	96.2	Very high	24 Å²	24	46.1 Å²	46.1	17%	0.168	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	148.3	168	-52.7	0	0	0	0	111.3	P217 E218 S270 Y271	P217-S220 VanDerWaalsContact O-CB 3.25Å; P217-S220 WeakPolarHBondContact O-CB 3.37Å; P217-S220 PolarHBondContact O-N 2.9Å; P217-S220 VanDerWaalsContact O-N 3.11Å; P217-S220 PolarHBondContact O-OG 3.08Å; E218-S220 VanDerWaalsContact C-N 3.33Å; S220-S270 CarbonylContact O-C 3.45Å; S220-Y271 WeakPolarHBondContact O-CA 3.33Å; S220-Y271 WeakPolarHBondContact O-CB 3.42Å; S220-Y271 PolarHBondContact O-N 3.05Å
221	R	95.4	Very high	96.6	Very high	103 Å²	103	47.9 Å²	47.9	39%	0.389	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.3	175.3	-172.7	172.4	-171.8	-152.6	-5.8	109.6	D267 S294 T295	R221-D267 WeakPolarHBondContact CD-OD1 3.31Å; R221-D267 WeakPolarHBondContact CG-OD1 3.37Å; R221-D267 IonicContact CZ-OD1 2.86Å; R221-D267 IonicContact CZ-OD2 3.52Å; R221-D267 IonicContact NE-OD1 2.77Å; R221-D267 PolarHBondContact NE-OD1 3Å; R221-D267 IonicContact NE-OD2 2.63Å; R221-D267 PolarHBondContact NE-OD2 2.93Å; R221-D267 IonicContact NH1-OD2 3.76Å; R221-D267 PolarHBondContact NH1-OD2 2.85Å; R221-D267 IonicContact NH2-OD1 3.25Å; R221-D267 PolarHBondContact NH2-OD1 2.83Å; R221-D267 IonicContact NH2-OD2 2.85Å; R221-D267 PolarHBondContact NH2-OD2 2.72Å; R221-S294 CarbonylContact O-C 3.52Å; R221-S294 VanDerWaalsContact O-CA 3.25Å; R221-S294 WeakPolarHBondContact O-CA 3.23Å; R221-T295 PolarHBondContact N-O 2.64Å; R221-T295 PolarHBondContact O-N 3.4Å
222	I	97.9	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.9	-176.4	-64.2	161.8	0	0	0	110.4	I214 L216 L224 T268 S270 Y271 V273 Y292	I214-I222 HydrophobicContact CB-CD1 4.14Å; I214-I222 HydrophobicContact CG2-CD1 3.65Å; I214-I222 HydrophobicContact CG2-CG1 4.41Å; L216-I222 HydrophobicContact CD1-CD1 4.07Å; L216-I222 HydrophobicContact CD1-CG1 3.64Å; L216-I222 HydrophobicContact CG-CD1 4.12Å; L216-I222 HydrophobicContact CG-CG1 4.25Å; I222-L224 HydrophobicContact CG2-CD2 3.67Å; I222-L224 HydrophobicContact CG2-CG 4.36Å; I222-T268 WeakPolarHBondContact O-CB 3.28Å; I222-T268 WeakPolarHBondContact O-CG2 3.2Å; I222-T268 PolarHBondContact O-N 3.3Å; I222-T268 PolarHBondContact O-OG1 2.82Å; I222-S270 WeakPolarHBondContact CG1-O 3.35Å; I222-S270 PolarHBondContact N-O 2.67Å; I222-Y271 VanDerWaalsContact CD1-C 3.5Å; I222-Y271 VanDerWaalsContact CD1-O 3.32Å; I222-Y271 WeakPolarHBondContact CD1-O 3.25Å; I222-V273 HydrophobicContact CB-CG2 3.98Å; I222-V273 HydrophobicContact CD1-CB 4.36Å; I222-V273 HydrophobicContact CD1-CG2 3.71Å; I222-V273 HydrophobicContact CG1-CG2 4.46Å; I222-V273 HydrophobicContact CG2-CG2 4.05Å; I222-Y292 HydrophobicContact CG2-CD2 4.34Å
223	I	98.2	Very high	96.9	Very high	35 Å²	35	46 Å²	46	18%	0.179	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.1	174.7	-57.8	169.7	0	0	0	108.3	I266 Y292 T293 T295	I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.31Å; I223-Y292 WeakPolarHBondContact O-CA 3.47Å; I223-T293 PolarHBondContact N-O 3.2Å; I223-T293 PolarHBondContact O-N 3.41Å; I223-T295 HydrophobicContact CD1-CG2 4.06Å
224	L	98.6	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.8	-177.1	-53	177.4	0	0	0	110.7	I214 I222 F226 I247 S265 I266 T268 V273 I290	I214-L224 HydrophobicContact CD1-CD2 4.06Å; I222-L224 HydrophobicContact CG2-CD2 3.67Å; I222-L224 HydrophobicContact CG2-CG 4.36Å; L224-F226 HydrophobicContact CB-CE2 4.46Å; L224-I247 HydrophobicContact CD1-CD1 3.72Å; L224-I247 HydrophobicContact CD1-CG1 4.39Å; L224-I247 HydrophobicContact CD1-CG2 3.82Å; L224-S265 CarbonylContact O-C 3.58Å; L224-S265 WeakPolarHBondContact O-CA 3.35Å; L224-S265 PolarHBondContact O-OG 2.7Å; L224-I266 HydrophobicContact CB-CB 4.37Å; L224-I266 PolarHBondContact N-O 2.81Å; L224-I266 PolarHBondContact O-N 3.48Å; L224-T268 HydrophobicContact CD1-CG2 3.77Å; L224-T268 HydrophobicContact CG-CG2 3.9Å; L224-V273 HydrophobicContact CD1-CG1 4.15Å; L224-I290 HydrophobicContact CB-CG2 4.07Å; L224-I290 HydrophobicContact CD2-CG2 4.07Å
225	D	98.4	Very high	96.6	Very high	54 Å²	54	49.2 Å²	49.2	29%	0.289	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.4	175.6	-60.6	-55	0	0	0	110.2	S265 I290 K291	D225-S265 VanDerWaalsContact OD1-CB 3.29Å; D225-S265 WeakPolarHBondContact OD1-CB 3.26Å; D225-S265 PolarHBondContact OD1-OG 2.87Å; D225-I290 CarbonylContact O-C 3.5Å; D225-I290 WeakPolarHBondContact O-CA 3.29Å; D225-K291 PolarHBondContact N-O 3.08Å; D225-K291 PolarHBondContact O-N 2.03Å
226	F	98.3	Very high	96.2	Very high	17 Å²	17	53.3 Å²	53.3	8%	0.075	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.8	178.4	-62.2	-104.3	0	0	0	109.9	L224 F230 L245 I247 F257 P262 P263 I266 I290	L224-F226 HydrophobicContact CB-CE2 4.46Å; F226-F230 HydrophobicContact CD1-CD2 4.47Å; F226-F230 HydrophobicContact CD1-CE2 4.1Å; F226-L245 HydrophobicContact CD1-CD2 4.47Å; F226-L245 HydrophobicContact CE1-CD2 3.9Å; F226-I247 HydrophobicContact CE1-CD1 4.05Å; F226-I247 HydrophobicContact CE2-CD1 4.33Å; F226-I247 HydrophobicContact CZ-CD1 3.38Å; F226-F257 HydrophobicContact CZ-CD2 4.42Å; F226-F257 HydrophobicContact CZ-CE2 4.24Å; F226-P262 HydrophobicContact CB-CB 3.72Å; F226-P263 HydrophobicContact CB-CG 4.3Å; F226-P263 HydrophobicContact CD1-CG 3.69Å; F226-P263 HydrophobicContact CD2-CG 3.62Å; F226-P263 HydrophobicContact CE1-CG 3.71Å; F226-P263 HydrophobicContact CE2-CG 3.66Å; F226-P263 HydrophobicContact CG-CG 3.62Å; F226-P263 HydrophobicContact CZ-CG 3.65Å; F226-I266 HydrophobicContact CE2-CD1 3.67Å; F226-I266 HydrophobicContact CE2-CG1 4Å; F226-I266 HydrophobicContact CZ-CD1 3.87Å; F226-I290 HydrophobicContact CD1-CD1 4.19Å; F226-I290 HydrophobicContact CD1-CG1 3.65Å; F226-I290 HydrophobicContact CE1-CD1 3.73Å; F226-I290 HydrophobicContact CE1-CG1 3.73Å; F226-I290 HydrophobicContact CG-CG1 4.32Å; F226-I290 HydrophobicContact CZ-CD1 4.31Å; F226-I290 HydrophobicContact CZ-CG1 4.44Å
227	L	97.5	Very high	96.1	Very high	65 Å²	65	59.5 Å²	59.5	34%	0.34	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	149	-173.6	-56.7	-177.1	0	0	0	111.4	P229 K289 K291	L227-P229 CarbonylContact O-C 3.59Å; L227-K289 HydrophobicContact CB-CB 4.39Å; L227-K289 HydrophobicContact CB-CG 4.43Å; L227-K289 HydrophobicContact CD1-CD 4.24Å; L227-K289 HydrophobicContact CD1-CG 4.25Å; L227-K289 PolarHBondContact N-O 3.22Å; L227-K291 HydrophobicContact CD1-CB 4.1Å
228	E	96.6	Very high	96.1	Very high	150 Å²	150	58.2 Å²	58.2	70%	0.701	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	150.2	171.6	-68.5	-163.7	137.5	0	0	112.7	Y200 P262	Y200-E228 PolarHBondContact OH-O 3.1Å; E228-P262 HydrophobicContact CG-CG 4.1Å
229	P	96.8	Very high	96.1	Very high	53 Å²	53	55.7 Å²	55.7	34%	0.344	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-68.5	141.9	-7.9	27.5	-36.8	0	0	0	112.7	Y200 P201 L227	Y200-P229 HydrophobicContact CE2-CG 4.15Å; Y200-P229 WeakPolarHBondContact CE2-O 3.21Å; Y200-P229 WeakPolarHBondContact OH-CD 3.43Å; Y200-P229 PolarHBondContact OH-O 3.48Å; Y200-P229 VanDerWaalsContact OH-O 3.13Å; P201-P229 HydrophobicContact CB-CG 4.32Å; L227-P229 CarbonylContact O-C 3.59Å
230	F	98.1	Very high	96.3	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.6	167.4	-173.6	-85	0	0	0	107.7	F226 I232 L245 F257 G259 S260 A261 P262 G287 W288	F226-F230 HydrophobicContact CD1-CD2 4.47Å; F226-F230 HydrophobicContact CD1-CE2 4.1Å; F230-I232 HydrophobicContact CE1-CD1 4.15Å; F230-I232 HydrophobicContact CE1-CG1 4.32Å; F230-I232 HydrophobicContact CE2-CD1 3.96Å; F230-I232 HydrophobicContact CZ-CD1 3.55Å; F230-I232 HydrophobicContact CZ-CG1 4.18Å; F230-L245 HydrophobicContact CE2-CD2 4.19Å; F230-F257 HydrophobicContact CZ-CB 3.95Å; F230-G259 WeakPolarHBondContact CD1-O 3.29Å; F230-S260 CarbonylContact O-C 3.58Å; F230-S260 WeakPolarHBondContact O-CA 3.12Å; F230-S260 VanDerWaalsContact O-O 3.08Å; F230-A261 WeakPolarHBondContact CD1-O 3.45Å; F230-P262 HydrophobicContact CB-CB 3.87Å; F230-P262 HydrophobicContact CB-CG 4.38Å; F230-P262 HydrophobicContact CD2-CB 4.32Å; F230-P262 HydrophobicContact CG-CB 4.15Å; F230-G287 WeakPolarHBondContact CA-O 2.97Å; F230-W288 HydrophobicContact CD2-CB 3.86Å; F230-W288 HydrophobicContact CE2-CB 3.86Å
231	D	98.1	Very high	96.4	Very high	39 Å²	39	55.3 Å²	55.3	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	98.4	-173.6	178.4	23.8	0	0	0	108.9	G259 N285 K286 G287	D231-G259 WeakPolarHBondContact CA-O 3.33Å; D231-N285 WeakPolarHBondContact O-CB 3.29Å; D231-N285 PolarHBondContact OD1-ND2 2.8Å; D231-N285 VanDerWaalsContact OD2-CA 3.28Å; D231-N285 WeakPolarHBondContact OD2-CA 3.36Å; D231-K286 HydrophobicContact CB-CB 4.1Å; D231-K286 PolarHBondContact OD2-N 3.11Å; D231-G287 PolarHBondContact N-O 3.27Å; D231-G287 VanDerWaalsContact O-CA 3.22Å; D231-G287 WeakPolarHBondContact O-CA 3.46Å; D231-G287 PolarHBondContact O-N 3.12Å
232	I	98.1	Very high	96.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-125.6	136.4	178.7	-62.8	177.9	0	0	0	107.7	Y204 F230 G234 D243 L245 C258 G259 F277 W288	Y204-I232 WeakPolarHBondContact OH-CA 3.35Å; F230-I232 HydrophobicContact CE1-CD1 4.15Å; F230-I232 HydrophobicContact CE1-CG1 4.32Å; F230-I232 HydrophobicContact CE2-CD1 3.96Å; F230-I232 HydrophobicContact CZ-CD1 3.55Å; F230-I232 HydrophobicContact CZ-CG1 4.18Å; I232-G234 PolarHBondContact O-N 3.1Å; I232-D243 HydrophobicContact CG2-CB 3.57Å; I232-L245 HydrophobicContact CD1-CB 3.77Å; I232-L245 HydrophobicContact CD1-CD2 4.3Å; I232-C258 HydrophobicContact CB-CB 4.27Å; I232-C258 HydrophobicContact CG2-CB 3.85Å; I232-G259 PolarHBondContact N-O 3.27Å; I232-G259 WeakPolarHBondContact O-CA 3.43Å; I232-G259 PolarHBondContact O-N 2.81Å; I232-F277 HydrophobicContact CD1-CE2 4.16Å; I232-F277 HydrophobicContact CG1-CE2 4.36Å; I232-F277 HydrophobicContact CG2-CE2 4.23Å; I232-W288 HydrophobicContact CD1-CB 4.19Å; I232-W288 HydrophobicContact CD1-CG 4.11Å
233	E	97.9	Very high	96.3	Very high	44 Å²	44	54.8 Å²	54.8	21%	0.206	30%	0.304	C	S	.	.			trans	-61.1	133.1	-177.5	-169.5	165	-174	0	0	111.1	Y204 Y242 D243 C258 G283	Y204-E233 PolarHBondContact OH-N 2.82Å; Y204-E233 VanDerWaalsContact OH-N 3.07Å; E233-Y242 HydrophobicContact CG-CD2 3.89Å; E233-Y242 HydrophobicContact CG-CG 4.26Å; E233-D243 HydrophobicContact CB-CB 4.08Å; E233-D243 WeakPolarHBondContact CB-OD2 3.41Å; E233-D243 PolarHBondContact O-N 2.86Å; E233-C258 WeakPolarHBondContact O-CB 3.18Å; E233-G283 WeakPolarHBondContact OE2-CA 3.02Å
234	G	94.8	Very high	96.3	Very high	30 Å²	30	54 Å²	54	31%	0.309	30%	0.3	S	S	.	.			trans	-143.9	-179.4	-175.2	0	0	0	0	0	111.7	I232 Y242	I232-G234 PolarHBondContact O-N 3.1Å; G234-Y242 WeakPolarHBondContact O-CD2 3.46Å; G234-Y242 WeakPolarHBondContact O-CE2 3.48Å
235	H	93.9	Very high	96.2	Very high	68 Å²	68	54 Å²	54	32%	0.315	30%	0.3	S	S	.	.			trans	-130.1	144.8	176.8	-172.7	-88.7	0	0	0	109.8	D237 V238 P241 Y242	H235-D237 IonicContact CE1-OD2 3.09Å; H235-D237 PolarHBondContact ND1-N 2.83Å; H235-D237 PolarHBondContact O-N 2.83Å; H235-V238 HydrophobicContact CB-CB 4.34Å; H235-V238 PolarHBondContact ND1-N 2.93Å; H235-P241 HydrophobicContact CB-CG 3.37Å; H235-Y242 HydrophobicContact CB-CD2 4.46Å; H235-Y242 HydrophobicContact CB-CE2 3.9Å; H235-Y242 PolarHBondContact CD2-OH 3.2Å
236	P	90.6	Very high	96.2	Very high	120 Å²	120	55.2 Å²	55.2	78%	0.779	30%	0.303	S	S	*	.	S	Bend	trans	-59.9	-42.8	-178.9	-25.6	34.9	0	0	0	114
237	D	93.8	Very high	96.2	Very high	140 Å²	140	54.4 Å²	54.4	75%	0.749	30%	0.299	S	S	*	.	S	Bend	trans	-102.3	-15.6	-170.2	-52.5	-56	0	0	0	114.4	H235	H235-D237 IonicContact CE1-OD2 3.09Å; H235-D237 PolarHBondContact ND1-N 2.83Å; H235-D237 PolarHBondContact O-N 2.83Å
238	V	95	Very high	96.2	Very high	72 Å²	72	52.9 Å²	52.9	44%	0.436	29%	0.294	S	S	.	.	S	Bend	trans	-121.8	126.9	-173.6	-177	0	0	0	0	107.5	H235 C240 P241	H235-V238 HydrophobicContact CB-CB 4.34Å; H235-V238 PolarHBondContact ND1-N 2.93Å; V238-C240 PolarHBondContact O-N 2.91Å; V238-P241 HydrophobicContact CB-CB 4.38Å; V238-P241 HydrophobicContact CB-CG 4.1Å; V238-P241 HydrophobicContact CG1-CB 3.88Å; V238-P241 HydrophobicContact CG1-CG 4.13Å; V238-P241 WeakPolarHBondContact O-CD 3.41Å
239	P	94.3	Very high	96.2	Very high	104 Å²	104	46.6 Å²	46.6	68%	0.675	27%	0.266	S	S	*	.	S	Bend	trans	-64.1	107.1	178.4	-23.4	34.1	0	0	0	111.7
240	C	95.9	Very high	96	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.041	29%	0.285	C	S	.	.	S	Bend	trans	46.9	57.4	169.5	-46.5	0	0	0	0	115.2	V238 Y242 D243 M244 P256 F257 C258	V238-C240 PolarHBondContact O-N 2.91Å; C240-Y242 VanDerWaalsContact C-N 3.35Å; C240-D243 WeakPolarHBondContact CB-O 3.46Å; C240-M244 HydrophobicContact CB-CB 3.95Å; C240-M244 HydrophobicContact CB-CE 4.35Å; C240-M244 WeakPolarHBondContact O-CE 3.45Å; C240-P256 HydrophobicContact CB-CB 3.93Å; C240-P256 HydrophobicContact CB-CG 4.05Å; C240-F257 VanDerWaalsContact SG-C 3.58Å; C240-C258 WeakPolarHBondContact CA-SG 3.47Å; C240-C258 HydrophobicContact CB-CB 3.65Å; C240-C258 WeakPolarHBondContact CB-SG 3.45Å; C240-C258 PolarHBondContact N-SG 3.06Å; C240-C258 VanDerWaalsContact N-SG 3.45Å; C240-C258 WeakPolarHBondContact SG-CB 3.16Å; C240-C258 PolarHBondContact SG-N 3.43Å; C240-C258 CovalentContact SG-SG 2.04Å; C240-C258 PolarHBondContact SG-SG 3.03Å
241	P	95.7	Very high	95.5	Very high	54 Å²	54	53.8 Å²	53.8	35%	0.351	33%	0.327	S	S	.	.	S	Bend	trans	-74.3	-27.1	-176.9	30.6	-36.2	0	0	0	113	H235 V238	H235-P241 HydrophobicContact CB-CG 3.37Å; V238-P241 HydrophobicContact CB-CB 4.38Å; V238-P241 HydrophobicContact CB-CG 4.1Å; V238-P241 HydrophobicContact CG1-CB 3.88Å; V238-P241 HydrophobicContact CG1-CG 4.13Å; V238-P241 WeakPolarHBondContact O-CD 3.41Å
242	Y	94.9	Very high	95.4	Very high	93 Å²	93	56.7 Å²	56.7	37%	0.365	34%	0.34	S	S	.	.	S	Bend	trans	-88.9	-79.6	-178.2	-51.5	-54.2	0	0	0	109.1	E233 G234 H235 C240 D280	E233-Y242 HydrophobicContact CG-CD2 3.89Å; E233-Y242 HydrophobicContact CG-CG 4.26Å; G234-Y242 WeakPolarHBondContact O-CD2 3.46Å; G234-Y242 WeakPolarHBondContact O-CE2 3.48Å; H235-Y242 HydrophobicContact CB-CD2 4.46Å; H235-Y242 HydrophobicContact CB-CE2 3.9Å; H235-Y242 PolarHBondContact CD2-OH 3.2Å; C240-Y242 VanDerWaalsContact C-N 3.35Å; Y242-D280 WeakPolarHBondContact CB-OD2 3.26Å
243	D	97.2	Very high	95.4	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	37%	0.371	C	S	.	.			trans	-111.4	145.7	-175.7	-60.5	-10	0	0	0	110	Y204 I232 E233 C240 R278 S279 D280	Y204-D243 WeakPolarHBondContact CE2-OD2 3.31Å; Y204-D243 VanDerWaalsContact CZ-OD2 3.31Å; Y204-D243 PolarHBondContact OH-OD2 3.46Å; I232-D243 HydrophobicContact CG2-CB 3.57Å; E233-D243 HydrophobicContact CB-CB 4.08Å; E233-D243 WeakPolarHBondContact CB-OD2 3.41Å; E233-D243 PolarHBondContact O-N 2.86Å; C240-D243 WeakPolarHBondContact CB-O 3.46Å; D243-R278 WeakPolarHBondContact CA-O 3.16Å; D243-S279 WeakPolarHBondContact OD1-CA 2.99Å; D243-D280 PolarHBondContact OD1-N 2.75Å
244	M	96.9	Very high	95.3	Very high	18 Å²	18	63 Å²	63	9%	0.089	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	141.2	178.8	53.5	162.7	49.7	0	0	113.2	C240 K246 P256 F277 R278	C240-M244 HydrophobicContact CB-CB 3.95Å; C240-M244 HydrophobicContact CB-CE 4.35Å; C240-M244 WeakPolarHBondContact O-CE 3.45Å; M244-K246 HydrophobicContact SD-CD 3.95Å; M244-K246 WeakPolarHBondContact SD-CE 2.97Å; M244-K246 HydrophobicContact SD-CG 4.1Å; M244-P256 HydrophobicContact CB-CB 3.75Å; M244-P256 HydrophobicContact CE-CB 3.44Å; M244-P256 VanDerWaalsContact CE-CB 3.44Å; M244-P256 HydrophobicContact CE-CG 3.74Å; M244-P256 HydrophobicContact SD-CB 4.19Å; M244-F277 WeakPolarHBondContact O-CA 3.36Å; M244-F277 WeakPolarHBondContact O-CD2 3.49Å; M244-R278 HydrophobicContact CG-CG 3.58Å; M244-R278 PolarHBondContact N-O 3.28Å; M244-R278 PolarHBondContact O-N 3.08Å; M244-R278 HydrophobicContact SD-CG 4.46Å; M244-R278 PolarHBondContact SD-NE 3.31Å; M244-R278 PolarHBondContact SD-NH2 2.97Å; M244-R278 VanDerWaalsContact SD-NH2 3.36Å
245	L	97.9	Very high	95.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.8	164.9	177.7	63.7	0	0	0	108.8	F226 F230 I232 F257 V275 A276 F277 W288 I290	F226-L245 HydrophobicContact CD1-CD2 4.47Å; F226-L245 HydrophobicContact CE1-CD2 3.9Å; F230-L245 HydrophobicContact CE2-CD2 4.19Å; I232-L245 HydrophobicContact CD1-CB 3.77Å; I232-L245 HydrophobicContact CD1-CD2 4.3Å; L245-F257 HydrophobicContact CB-CB 4.3Å; L245-F257 PolarHBondContact N-O 2.93Å; L245-F257 WeakPolarHBondContact O-CD2 3.37Å; L245-F257 PolarHBondContact O-N 2.87Å; L245-V275 HydrophobicContact CD1-CG1 3.66Å; L245-A276 CarbonylContact C-O 3.6Å; L245-A276 WeakPolarHBondContact CA-O 3.37Å; L245-F277 HydrophobicContact CB-CD2 4.26Å; L245-F277 HydrophobicContact CD1-CB 4.08Å; L245-W288 HydrophobicContact CD1-CD2 4.13Å; L245-W288 HydrophobicContact CD1-CH2 4.18Å; L245-W288 HydrophobicContact CD1-CZ2 3.76Å; L245-W288 HydrophobicContact CD2-CB 4.27Å; L245-W288 HydrophobicContact CD2-CD2 3.79Å; L245-W288 HydrophobicContact CD2-CE3 4.15Å; L245-W288 HydrophobicContact CD2-CG 3.83Å; L245-I290 HydrophobicContact CD2-CD1 4.12Å
246	K	97.9	Very high	95.5	Very high	79 Å²	79	62.5 Å²	62.5	34%	0.343	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.8	176.7	-75	-170.4	167.8	-164.1	0	110.3	M244 P256 A276	M244-K246 HydrophobicContact SD-CD 3.95Å; M244-K246 WeakPolarHBondContact SD-CE 2.97Å; M244-K246 HydrophobicContact SD-CG 4.1Å; K246-P256 HydrophobicContact CG-CB 4.16Å; K246-A276 PolarHBondContact N-O 2.62Å; K246-A276 PolarHBondContact O-N 2.89Å
247	I	98.4	Very high	95.8	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.2	175	-62.7	161.8	0	0	0	107.6	L224 F226 E253 Y254 F257 I266 V273 H274 V275 I290	L224-I247 HydrophobicContact CD1-CD1 3.72Å; L224-I247 HydrophobicContact CD1-CG1 4.39Å; L224-I247 HydrophobicContact CD1-CG2 3.82Å; F226-I247 HydrophobicContact CE1-CD1 4.05Å; F226-I247 HydrophobicContact CE2-CD1 4.33Å; F226-I247 HydrophobicContact CZ-CD1 3.38Å; I247-E253 CarbonylContact O-C 3.57Å; I247-E253 WeakPolarHBondContact O-CA 3.37Å; I247-Y254 HydrophobicContact CB-CD2 4.32Å; I247-Y254 HydrophobicContact CG2-CD2 3.99Å; I247-Y254 PolarHBondContact N-O 3.34Å; I247-Y254 PolarHBondContact O-N 2.89Å; I247-F257 HydrophobicContact CD1-CD2 4.47Å; I247-F257 HydrophobicContact CD1-CE2 3.92Å; I247-F257 HydrophobicContact CG1-CE2 4.46Å; I247-I266 HydrophobicContact CD1-CD1 4.06Å; I247-V273 HydrophobicContact CG2-CG1 3.62Å; I247-H274 CarbonylContact C-O 3.48Å; I247-H274 VanDerWaalsContact CA-O 3.31Å; I247-H274 WeakPolarHBondContact CA-O 3.1Å; I247-V275 HydrophobicContact CG1-CG1 4.5Å; I247-V275 HydrophobicContact CG1-CG2 4.42Å; I247-I290 HydrophobicContact CD1-CD1 4.41Å
248	S	97.9	Very high	96	Very high	32 Å²	32	53.3 Å²	53.3	22%	0.224	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.3	176.7	56.4	0	0	0	0	111.8	Q252 H274	S248-Q252 WeakPolarHBondContact CA-O 3.21Å; S248-H274 PolarHBondContact N-O 2.9Å; S248-H274 PolarHBondContact O-N 2.83Å
249	T	96.6	Very high	96.1	Very high	19 Å²	19	51.2 Å²	51.2	12%	0.117	31%	0.311	C	S	.	.			trans	-121.4	-172.5	169.6	65.9	0	0	0	0	108.6	G251 Q252 Y254 V273	T249-G251 PolarHBondContact O-N 3.03Å; T249-Q252 PolarHBondContact N-O 3.4Å; T249-Q252 PolarHBondContact OG1-O 3.06Å; T249-Y254 HydrophobicContact CG2-CE2 4.28Å; T249-V273 HydrophobicContact CG2-CG2 4.03Å
250	T	91.6	Very high	96.2	Very high	120 Å²	120	51 Å²	51	74%	0.736	31%	0.312	S	S	*	.	S	Bend	trans	-69.3	102.4	169.9	-57.9	0	0	0	0	109.8
251	G	89	Confident	96.2	Very high	89 Å²	89	53.9 Å²	53.9	92%	0.918	34%	0.336	S	S	*	.	S	Bend	trans	90.7	1.2	172.6	0	0	0	0	0	116	T249	T249-G251 PolarHBondContact O-N 3.03Å
252	Q	95.6	Very high	96.2	Very high	101 Å²	101	53.2 Å²	53.2	47%	0.472	33%	0.332	S	S	.	.			trans	-137.5	139.8	175.6	-172.7	167.3	-2.2	0	0	111.6	S248 T249 Y254	S248-Q252 WeakPolarHBondContact CA-O 3.21Å; T249-Q252 PolarHBondContact N-O 3.4Å; T249-Q252 PolarHBondContact OG1-O 3.06Å; Q252-Y254 HydrophobicContact CB-CE2 4.42Å; Q252-Y254 VanDerWaalsContact CD-CZ 3.43Å; Q252-Y254 HydrophobicContact CG-CD2 4.48Å; Q252-Y254 HydrophobicContact CG-CE1 4.3Å; Q252-Y254 HydrophobicContact CG-CE2 3.85Å; Q252-Y254 VanDerWaalsContact NE2-CE1 3.28Å; Q252-Y254 VanDerWaalsContact NE2-CZ 3.33Å; Q252-Y254 PolarHBondContact NE2-OH 2.81Å; Q252-Y254 PolarHBondContact OE1-OH 3.34Å
253	E	96.9	Very high	96.3	Very high	144 Å²	144	50.3 Å²	50.3	67%	0.673	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	147.5	172.5	-62.9	-164.9	163	0	0	110.2	I247	I247-E253 CarbonylContact O-C 3.57Å; I247-E253 WeakPolarHBondContact O-CA 3.37Å
254	Y	97.4	Very high	96.3	Very high	34 Å²	34	57.3 Å²	57.3	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.3	174.9	-48.7	-101	0	0	0	109.5	I247 T249 Q252 I266 D267 T268	I247-Y254 HydrophobicContact CB-CD2 4.32Å; I247-Y254 HydrophobicContact CG2-CD2 3.99Å; I247-Y254 PolarHBondContact N-O 3.34Å; I247-Y254 PolarHBondContact O-N 2.89Å; T249-Y254 HydrophobicContact CG2-CE2 4.28Å; Q252-Y254 HydrophobicContact CB-CE2 4.42Å; Q252-Y254 VanDerWaalsContact CD-CZ 3.43Å; Q252-Y254 HydrophobicContact CG-CD2 4.48Å; Q252-Y254 HydrophobicContact CG-CE1 4.3Å; Q252-Y254 HydrophobicContact CG-CE2 3.85Å; Q252-Y254 VanDerWaalsContact NE2-CE1 3.28Å; Q252-Y254 VanDerWaalsContact NE2-CZ 3.33Å; Q252-Y254 PolarHBondContact NE2-OH 2.81Å; Q252-Y254 PolarHBondContact OE1-OH 3.34Å; Y254-I266 HydrophobicContact CD1-CD1 4.18Å; Y254-I266 HydrophobicContact CD1-CG2 3.61Å; Y254-I266 HydrophobicContact CD2-CG2 4.37Å; Y254-I266 HydrophobicContact CE1-CG2 3.42Å; Y254-I266 VanDerWaalsContact CE1-CG2 3.42Å; Y254-I266 HydrophobicContact CE2-CG2 4.23Å; Y254-I266 HydrophobicContact CG-CD1 4.2Å; Y254-I266 HydrophobicContact CG-CG2 4.08Å; Y254-D267 PolarHBondContact OH-O 3.36Å; Y254-T268 WeakPolarHBondContact OH-CA 3.32Å; Y254-T268 PolarHBondContact OH-O 3.33Å
255	G	94.8	Very high	96.4	Very high	43 Å²	43	59.7 Å²	59.7	44%	0.443	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.5	-160.2	-174	0	0	0	0	0	112.5	F257	G255-F257 VanDerWaalsContact N-CZ 3.29Å
256	P	96.9	Very high	96.4	Very high	43 Å²	43	60.6 Å²	60.6	28%	0.279	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-66.7	148.6	6.4	30.1	-36.8	0	0	0	113.4	C240 M244 K246	C240-P256 HydrophobicContact CB-CB 3.93Å; C240-P256 HydrophobicContact CB-CG 4.05Å; M244-P256 HydrophobicContact CB-CB 3.75Å; M244-P256 HydrophobicContact CE-CB 3.44Å; M244-P256 VanDerWaalsContact CE-CB 3.44Å; M244-P256 HydrophobicContact CE-CG 3.74Å; M244-P256 HydrophobicContact SD-CB 4.19Å; K246-P256 HydrophobicContact CG-CB 4.16Å
257	F	98.1	Very high	96.3	Very high	35 Å²	35	59.5 Å²	59.5	15%	0.154	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.5	176.3	-53.7	-71.7	0	0	0	110.5	F226 F230 C240 L245 I247 G255 P263 I266	F226-F257 HydrophobicContact CZ-CD2 4.42Å; F226-F257 HydrophobicContact CZ-CE2 4.24Å; F230-F257 HydrophobicContact CZ-CB 3.95Å; C240-F257 VanDerWaalsContact SG-C 3.58Å; L245-F257 HydrophobicContact CB-CB 4.3Å; L245-F257 PolarHBondContact N-O 2.93Å; L245-F257 WeakPolarHBondContact O-CD2 3.37Å; L245-F257 PolarHBondContact O-N 2.87Å; I247-F257 HydrophobicContact CD1-CD2 4.47Å; I247-F257 HydrophobicContact CD1-CE2 3.92Å; I247-F257 HydrophobicContact CG1-CE2 4.46Å; G255-F257 VanDerWaalsContact N-CZ 3.29Å; F257-P263 HydrophobicContact CD1-CB 3.7Å; F257-P263 HydrophobicContact CD1-CG 3.68Å; F257-P263 HydrophobicContact CE1-CB 3.63Å; F257-P263 HydrophobicContact CE1-CG 3.87Å; F257-P263 HydrophobicContact CG-CG 4.07Å; F257-P263 HydrophobicContact CZ-CB 4.47Å; F257-P263 HydrophobicContact CZ-CG 4.43Å; F257-I266 HydrophobicContact CE2-CD1 4.09Å; F257-I266 HydrophobicContact CZ-CD1 3.67Å
258	C	97.8	Very high	96.2	Very high	33 Å²	33	59.6 Å²	59.6	22%	0.223	38%	0.383	C	S	.	.			trans	-153.9	176.3	173.4	59	0	0	0	0	109.9	I232 E233 C240	I232-C258 HydrophobicContact CB-CB 4.27Å; I232-C258 HydrophobicContact CG2-CB 3.85Å; E233-C258 WeakPolarHBondContact O-CB 3.18Å; C240-C258 WeakPolarHBondContact CA-SG 3.47Å; C240-C258 HydrophobicContact CB-CB 3.65Å; C240-C258 WeakPolarHBondContact CB-SG 3.45Å; C240-C258 PolarHBondContact N-SG 3.06Å; C240-C258 VanDerWaalsContact N-SG 3.45Å; C240-C258 WeakPolarHBondContact SG-CB 3.16Å; C240-C258 PolarHBondContact SG-N 3.43Å; C240-C258 CovalentContact SG-SG 2.04Å; C240-C258 PolarHBondContact SG-SG 3.03Å
259	G	96.8	Very high	96	Very high	28 Å²	28	60.8 Å²	60.8	29%	0.289	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	98.2	-166.8	-178.4	0	0	0	0	0	113	F230 D231 I232	F230-G259 WeakPolarHBondContact CD1-O 3.29Å; D231-G259 WeakPolarHBondContact CA-O 3.33Å; I232-G259 PolarHBondContact N-O 3.27Å; I232-G259 WeakPolarHBondContact O-CA 3.43Å; I232-G259 PolarHBondContact O-N 2.81Å
260	S	96.4	Very high	95.9	Very high	100 Å²	100	60.7 Å²	60.7	70%	0.699	40%	0.401	S	S	*	.	S	Bend	trans	-105.3	5.7	-171.2	63.5	0	0	0	0	114.7	F230	F230-S260 CarbonylContact O-C 3.58Å; F230-S260 WeakPolarHBondContact O-CA 3.12Å; F230-S260 VanDerWaalsContact O-O 3.08Å
261	A	95.4	Very high	96.1	Very high	65 Å²	65	58.8 Å²	58.8	54%	0.537	38%	0.38	S	S	.	.	S	Bend	trans	-124	132.5	-179.4	0	0	0	0	0	109.6	F230	F230-A261 WeakPolarHBondContact CD1-O 3.45Å
262	P	96.7	Very high	96.5	Very high	41 Å²	41	57.3 Å²	57.3	27%	0.266	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-66.7	143.6	176	27.4	-32.1	0	0	0	110.6	F226 E228 F230	F226-P262 HydrophobicContact CB-CB 3.72Å; E228-P262 HydrophobicContact CG-CG 4.1Å; F230-P262 HydrophobicContact CB-CB 3.87Å; F230-P262 HydrophobicContact CB-CG 4.38Å; F230-P262 HydrophobicContact CD2-CB 4.32Å; F230-P262 HydrophobicContact CG-CB 4.15Å
263	P	96.6	Very high	96.7	Very high	32 Å²	32	52.5 Å²	52.5	21%	0.208	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-69.9	164.7	170.1	31.3	-35	0	0	0	111.2	F226 F257	F226-P263 HydrophobicContact CB-CG 4.3Å; F226-P263 HydrophobicContact CD1-CG 3.69Å; F226-P263 HydrophobicContact CD2-CG 3.62Å; F226-P263 HydrophobicContact CE1-CG 3.71Å; F226-P263 HydrophobicContact CE2-CG 3.66Å; F226-P263 HydrophobicContact CG-CG 3.62Å; F226-P263 HydrophobicContact CZ-CG 3.65Å; F257-P263 HydrophobicContact CD1-CB 3.7Å; F257-P263 HydrophobicContact CD1-CG 3.68Å; F257-P263 HydrophobicContact CE1-CB 3.63Å; F257-P263 HydrophobicContact CE1-CG 3.87Å; F257-P263 HydrophobicContact CG-CG 4.07Å; F257-P263 HydrophobicContact CZ-CB 4.47Å; F257-P263 HydrophobicContact CZ-CG 4.43Å
264	D	97.6	Very high	96.7	Very high	146 Å²	146	49 Å²	49	78%	0.781	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-61.8	160.4	175.1	-68	-37.3	0	0	0	112.1	I266	D264-I266 PolarHBondContact O-N 3.04Å
265	S	97.8	Very high	96.7	Very high	69 Å²	69	47.5 Å²	47.5	48%	0.483	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-58	133	175.9	-171.9	0	0	0	0	110.9	L224 D225	L224-S265 CarbonylContact O-C 3.58Å; L224-S265 WeakPolarHBondContact O-CA 3.35Å; L224-S265 PolarHBondContact O-OG 2.7Å; D225-S265 VanDerWaalsContact OD1-CB 3.29Å; D225-S265 WeakPolarHBondContact OD1-CB 3.26Å; D225-S265 PolarHBondContact OD1-OG 2.87Å
266	I	97.8	Very high	96.8	Very high	18 Å²	18	47.1 Å²	47.1	9%	0.092	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.1	-177.5	-59.8	174	0	0	0	109	I223 L224 F226 I247 Y254 F257 D264 T268	I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.31Å; L224-I266 HydrophobicContact CB-CB 4.37Å; L224-I266 PolarHBondContact N-O 2.81Å; L224-I266 PolarHBondContact O-N 3.48Å; F226-I266 HydrophobicContact CE2-CD1 3.67Å; F226-I266 HydrophobicContact CE2-CG1 4Å; F226-I266 HydrophobicContact CZ-CD1 3.87Å; I247-I266 HydrophobicContact CD1-CD1 4.06Å; Y254-I266 HydrophobicContact CD1-CD1 4.18Å; Y254-I266 HydrophobicContact CD1-CG2 3.61Å; Y254-I266 HydrophobicContact CD2-CG2 4.37Å; Y254-I266 HydrophobicContact CE1-CG2 3.42Å; Y254-I266 VanDerWaalsContact CE1-CG2 3.42Å; Y254-I266 HydrophobicContact CE2-CG2 4.23Å; Y254-I266 HydrophobicContact CG-CD1 4.2Å; Y254-I266 HydrophobicContact CG-CG2 4.08Å; F257-I266 HydrophobicContact CE2-CD1 4.09Å; F257-I266 HydrophobicContact CZ-CD1 3.67Å; D264-I266 PolarHBondContact O-N 3.04Å; I266-T268 HydrophobicContact CG2-CG2 4.09Å
267	D	96.3	Very high	96.7	Very high	56 Å²	56	45.1 Å²	45.1	30%	0.299	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	111.9	162.1	-168	-40.8	0	0	0	109.6	R221 Y254 G269	R221-D267 WeakPolarHBondContact CD-OD1 3.31Å; R221-D267 WeakPolarHBondContact CG-OD1 3.37Å; R221-D267 IonicContact CZ-OD1 2.86Å; R221-D267 IonicContact CZ-OD2 3.52Å; R221-D267 IonicContact NE-OD1 2.77Å; R221-D267 PolarHBondContact NE-OD1 3Å; R221-D267 IonicContact NE-OD2 2.63Å; R221-D267 PolarHBondContact NE-OD2 2.93Å; R221-D267 IonicContact NH1-OD2 3.76Å; R221-D267 PolarHBondContact NH1-OD2 2.85Å; R221-D267 IonicContact NH2-OD1 3.25Å; R221-D267 PolarHBondContact NH2-OD1 2.83Å; R221-D267 IonicContact NH2-OD2 2.85Å; R221-D267 PolarHBondContact NH2-OD2 2.72Å; Y254-D267 PolarHBondContact OH-O 3.36Å; D267-G269 VanDerWaalsContact C-N 3.32Å; D267-G269 PolarHBondContact O-N 2.91Å; D267-G269 PolarHBondContact OD1-N 3Å
268	T	95.4	Very high	96.5	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.025	30%	0.301	C	S	.	.			trans	-79.9	-14.8	-171.3	67	0	0	0	0	113.7	I222 L224 Y254 I266 S270 V273	I222-T268 WeakPolarHBondContact O-CB 3.28Å; I222-T268 WeakPolarHBondContact O-CG2 3.2Å; I222-T268 PolarHBondContact O-N 3.3Å; I222-T268 PolarHBondContact O-OG1 2.82Å; L224-T268 HydrophobicContact CD1-CG2 3.77Å; L224-T268 HydrophobicContact CG-CG2 3.9Å; Y254-T268 WeakPolarHBondContact OH-CA 3.32Å; Y254-T268 PolarHBondContact OH-O 3.33Å; I266-T268 HydrophobicContact CG2-CG2 4.09Å; T268-S270 PolarHBondContact O-N 3.46Å; T268-S270 PolarHBondContact OG1-N 3.44Å; T268-S270 PolarHBondContact OG1-O 3.47Å; T268-V273 HydrophobicContact CG2-CG2 3.77Å
269	G	94.3	Very high	96.2	Very high	57 Å²	57	48.6 Å²	48.6	59%	0.588	29%	0.294	S	S	*	.			trans	60.6	8.8	-172.9	0	0	0	0	0	114.6	D267	D267-G269 VanDerWaalsContact C-N 3.32Å; D267-G269 PolarHBondContact O-N 2.91Å; D267-G269 PolarHBondContact OD1-N 3Å
270	S	95.7	Very high	95.9	Very high	17 Å²	17	49 Å²	49	12%	0.119	29%	0.289	C	S	.	.			trans	-130.8	152.8	-170.1	-165.6	0	0	0	0	112.3	S220 I222 T268 Q272	S220-S270 CarbonylContact O-C 3.45Å; I222-S270 WeakPolarHBondContact CG1-O 3.35Å; I222-S270 PolarHBondContact N-O 2.67Å; T268-S270 PolarHBondContact O-N 3.46Å; T268-S270 PolarHBondContact OG1-N 3.44Å; T268-S270 PolarHBondContact OG1-O 3.47Å; S270-Q272 PolarHBondContact OG-N 3.31Å; S270-Q272 PolarHBondContact OG-O 2.91Å
271	Y	95.8	Very high	95.3	Very high	79 Å²	79	48.2 Å²	48.2	31%	0.31	28%	0.284	S	S	.	.	S	Bend	trans	-88.8	-9.2	171.1	67	-94	0	0	0	112.3	L216 P217 E218 S220 I222	L216-Y271 PolarHBondContact N-O 2.84Å; L216-Y271 VanDerWaalsContact O-CD2 3.23Å; L216-Y271 WeakPolarHBondContact O-CD2 3.48Å; P217-Y271 WeakPolarHBondContact O-CB 3.43Å; E218-Y271 HydrophobicContact CG-CD1 4.36Å; E218-Y271 HydrophobicContact CG-CE1 3.89Å; E218-Y271 HydrophobicContact CG-CE2 4.14Å; S220-Y271 WeakPolarHBondContact O-CA 3.33Å; S220-Y271 WeakPolarHBondContact O-CB 3.42Å; S220-Y271 PolarHBondContact O-N 3.05Å; I222-Y271 VanDerWaalsContact CD1-C 3.5Å; I222-Y271 VanDerWaalsContact CD1-O 3.32Å; I222-Y271 WeakPolarHBondContact CD1-O 3.25Å
272	Q	97.3	Very high	94.7	Very high	59 Å²	59	48.6 Å²	48.6	28%	0.276	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.2	179	-172.2	172.1	79	0	0	110.9	T213 I214 S215 S270	T213-Q272 HydrophobicContact CG2-CG 4.32Å; I214-Q272 WeakPolarHBondContact O-CA 3.33Å; S215-Q272 PolarHBondContact OG-NE2 2.95Å; S270-Q272 PolarHBondContact OG-N 3.31Å; S270-Q272 PolarHBondContact OG-O 2.91Å
273	V	98	Very high	94	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.4	-175.8	178.5	0	0	0	0	109.2	T213 I214 I222 L224 I247 T249 T268 V275	T213-V273 CarbonylContact C-O 3.53Å; T213-V273 WeakPolarHBondContact CA-O 3.39Å; I214-V273 HydrophobicContact CB-CB 4.42Å; I214-V273 PolarHBondContact N-O 2.89Å; I214-V273 PolarHBondContact O-N 3.28Å; I222-V273 HydrophobicContact CB-CG2 3.98Å; I222-V273 HydrophobicContact CD1-CB 4.36Å; I222-V273 HydrophobicContact CD1-CG2 3.71Å; I222-V273 HydrophobicContact CG1-CG2 4.46Å; I222-V273 HydrophobicContact CG2-CG2 4.05Å; L224-V273 HydrophobicContact CD1-CG1 4.15Å; I247-V273 HydrophobicContact CG2-CG1 3.62Å; T249-V273 HydrophobicContact CG2-CG2 4.03Å; T268-V273 HydrophobicContact CG2-CG2 3.77Å; V273-V275 HydrophobicContact CG1-CG2 4.19Å
274	H	98.1	Very high	93.7	Very high	71 Å²	71	55 Å²	55	33%	0.329	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.6	170.5	-59.2	-65.4	0	0	0	110	H212 T213 I247 S248	H212-H274 WeakPolarHBondContact O-CA 3.28Å; T213-H274 PolarHBondContact OG1-ND1 2.71Å; I247-H274 CarbonylContact C-O 3.48Å; I247-H274 VanDerWaalsContact CA-O 3.31Å; I247-H274 WeakPolarHBondContact CA-O 3.1Å; S248-H274 PolarHBondContact N-O 2.9Å; S248-H274 PolarHBondContact O-N 2.83Å
275	V	97.8	Very high	93.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.8	177.9	-175.8	0	0	0	0	107.8	L195 H212 L245 I247 V273 W288 I290	L195-V275 HydrophobicContact CD1-CB 4.15Å; L195-V275 HydrophobicContact CD1-CG1 4.48Å; L195-V275 HydrophobicContact CD1-CG2 3.88Å; H212-V275 HydrophobicContact CB-CB 4.35Å; H212-V275 PolarHBondContact N-O 3.14Å; H212-V275 PolarHBondContact O-N 2.99Å; L245-V275 HydrophobicContact CD1-CG1 3.66Å; I247-V275 HydrophobicContact CG1-CG1 4.5Å; I247-V275 HydrophobicContact CG1-CG2 4.42Å; V273-V275 HydrophobicContact CG1-CG2 4.19Å; V275-W288 HydrophobicContact CG1-CH2 3.99Å; V275-W288 HydrophobicContact CG1-CZ3 4.41Å; V275-I290 HydrophobicContact CG1-CD1 4.04Å
276	A	96.6	Very high	93.6	Very high	35 Å²	35	51.6 Å²	51.6	29%	0.289	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.1	-177.2	0	0	0	0	0	110.1	C210 L245 K246	C210-A276 CarbonylContact O-C 3.59Å; C210-A276 WeakPolarHBondContact O-CA 3.47Å; L245-A276 CarbonylContact C-O 3.6Å; L245-A276 WeakPolarHBondContact CA-O 3.37Å; K246-A276 PolarHBondContact N-O 2.62Å; K246-A276 PolarHBondContact O-N 2.89Å
277	F	95.4	Very high	93.5	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.4	175.3	176.2	-117.1	0	0	0	110	Y204 C210 I232 M244 L245 W288	Y204-F277 HydrophobicContact CD1-CE1 4.39Å; Y204-F277 AromaticContact CD1-CZ 3.95Å; Y204-F277 HydrophobicContact CD1-CZ 3.95Å; Y204-F277 HydrophobicContact CD2-CE1 4.03Å; Y204-F277 AromaticContact CD2-CZ 3.79Å; Y204-F277 HydrophobicContact CD2-CZ 3.79Å; Y204-F277 AromaticContact CE1-CZ 3.94Å; Y204-F277 HydrophobicContact CE1-CZ 3.94Å; Y204-F277 HydrophobicContact CE2-CE1 4.48Å; Y204-F277 AromaticContact CE2-CZ 3.8Å; Y204-F277 HydrophobicContact CE2-CZ 3.8Å; Y204-F277 AromaticContact CG-CE1 3.97Å; Y204-F277 HydrophobicContact CG-CE1 3.97Å; Y204-F277 AromaticContact CG-CZ 3.85Å; Y204-F277 HydrophobicContact CG-CZ 3.85Å; Y204-F277 AromaticContact CZ-CZ 3.86Å; C210-F277 HydrophobicContact CB-CB 4.31Å; C210-F277 PolarHBondContact N-O 3.09Å; C210-F277 PolarHBondContact O-N 3.33Å; I232-F277 HydrophobicContact CD1-CE2 4.16Å; I232-F277 HydrophobicContact CG1-CE2 4.36Å; I232-F277 HydrophobicContact CG2-CE2 4.23Å; M244-F277 WeakPolarHBondContact O-CA 3.36Å; M244-F277 WeakPolarHBondContact O-CD2 3.49Å; L245-F277 HydrophobicContact CB-CD2 4.26Å; L245-F277 HydrophobicContact CD1-CB 4.08Å; F277-W288 HydrophobicContact CB-CZ2 3.75Å; F277-W288 AromaticContact CD1-NE1 3.64Å; F277-W288 AromaticContact CD2-CD1 3.9Å; F277-W288 AromaticContact CD2-NE1 3.22Å; F277-W288 AromaticContact CE2-CD1 3.94Å; F277-W288 AromaticContact CE2-NE1 3.65Å; F277-W288 AromaticContact CG-CE2 3.99Å; F277-W288 HydrophobicContact CG-CZ2 4.16Å; F277-W288 AromaticContact CG-NE1 3.22Å
278	R	92.8	Very high	93.6	Very high	129 Å²	129	48.1 Å²	48.1	49%	0.487	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.2	170.8	68.7	179.2	-166.6	-175.4	1.7	111	S208 D243 M244	S208-R278 VanDerWaalsContact O-CA 3.25Å; S208-R278 WeakPolarHBondContact O-CA 3.4Å; D243-R278 WeakPolarHBondContact CA-O 3.16Å; M244-R278 HydrophobicContact CG-CG 3.58Å; M244-R278 PolarHBondContact N-O 3.28Å; M244-R278 PolarHBondContact O-N 3.08Å; M244-R278 HydrophobicContact SD-CG 4.46Å; M244-R278 PolarHBondContact SD-NE 3.31Å; M244-R278 PolarHBondContact SD-NH2 2.97Å; M244-R278 VanDerWaalsContact SD-NH2 3.36Å
279	S	92.3	Very high	93.7	Very high	12 Å²	12	51.4 Å²	51.4	8%	0.084	28%	0.275	C	S	.	.			trans	-121.1	158.3	168.6	55.9	0	0	0	0	112.1	P205 M207 S208 D243	P205-S279 PolarHBondContact O-OG 2.88Å; M207-S279 VanDerWaalsContact CA-O 3.26Å; M207-S279 WeakPolarHBondContact CA-O 3.41Å; M207-S279 PolarHBondContact N-OG 2.8Å; S208-S279 WeakPolarHBondContact CB-OG 3.02Å; S208-S279 PolarHBondContact N-OG 2.79Å; S208-S279 PolarHBondContact O-N 2.87Å; S208-S279 VanDerWaalsContact O-N 3.1Å; D243-S279 WeakPolarHBondContact OD1-CA 2.99Å
280	D	90.5	Very high	93.9	Very high	36 Å²	36	48.8 Å²	48.8	19%	0.193	25%	0.247	C	C	.	.			trans	-88.9	-170.4	177.9	81.4	11.1	0	0	0	112.5	P206 M207 Y242 D243 T282	P206-D280 CarbonylContact C-O 3.59Å; P206-D280 WeakPolarHBondContact CA-O 3.49Å; P206-D280 VanDerWaalsContact CB-O 3.26Å; P206-D280 WeakPolarHBondContact CB-O 3.18Å; M207-D280 WeakPolarHBondContact CG-O 3.28Å; M207-D280 PolarHBondContact N-O 3.4Å; Y242-D280 WeakPolarHBondContact CB-OD2 3.26Å; D243-D280 PolarHBondContact OD1-N 2.75Å; D280-T282 PolarHBondContact O-N 3.1Å; D280-T282 WeakPolarHBondContact OD1-CA 3.29Å; D280-T282 PolarHBondContact OD1-N 3.26Å; D280-T282 PolarHBondContact OD1-OG1 3.17Å
281	S	83.6	Confident	94	Very high	83 Å²	83	53.1 Å²	53.1	58%	0.58	26%	0.264	S	S	*	.	S	Bend	trans	-69	-9.4	-177.2	47.1	0	0	0	0	115.3
282	T	81.9	Confident	94.1	Very high	74 Å²	74	49.4 Å²	49.4	45%	0.454	25%	0.249	S	C	.	.			trans	-129.6	-168.1	-169.4	49.1	0	0	0	0	111	D280	D280-T282 PolarHBondContact O-N 3.1Å; D280-T282 WeakPolarHBondContact OD1-CA 3.29Å; D280-T282 PolarHBondContact OD1-N 3.26Å; D280-T282 PolarHBondContact OD1-OG1 3.17Å
283	G	82.3	Confident	94.2	Very high	28 Å²	28	48.9 Å²	48.9	29%	0.289	25%	0.25	S	S	.	.			trans	98	151.6	177.8	0	0	0	0	0	115.2	E233	E233-G283 WeakPolarHBondContact OE2-CA 3.02Å
284	K	89.5	Confident	94.1	Very high	180 Å²	180	50.5 Å²	50.5	78%	0.783	26%	0.261	S	S	*	.			trans	-136.8	22.3	173.2	-66.6	-176.7	-178.1	173.1	0	111.3	P203	P203-K284 WeakPolarHBondContact CB-O 3.41Å; P203-K284 VanDerWaalsContact CG-O 3.22Å; P203-K284 WeakPolarHBondContact CG-O 3.48Å
285	N	96.7	Very high	93.9	Very high	34 Å²	34	50.2 Å²	50.2	18%	0.182	27%	0.265	C	S	.	.			trans	-73.3	145.6	-174	-60.5	67.6	0	0	0	110.4	P203 Y204 D231 G287	P203-N285 WeakPolarHBondContact CA-O 3.33Å; Y204-N285 WeakPolarHBondContact CD1-O 3.32Å; Y204-N285 HydrophobicContact CE1-CB 3.73Å; Y204-N285 WeakPolarHBondContact CE1-O 3.47Å; Y204-N285 PolarHBondContact N-O 3.3Å; Y204-N285 VanDerWaalsContact N-O 3.16Å; Y204-N285 WeakPolarHBondContact OH-CB 3.36Å; D231-N285 WeakPolarHBondContact O-CB 3.29Å; D231-N285 PolarHBondContact OD1-ND2 2.8Å; D231-N285 VanDerWaalsContact OD2-CA 3.28Å; D231-N285 WeakPolarHBondContact OD2-CA 3.36Å; N285-G287 VanDerWaalsContact C-N 3.3Å; N285-G287 PolarHBondContact O-N 3.15Å
286	K	96.7	Very high	93.3	Very high	109 Å²	109	56.1 Å²	56.1	47%	0.474	30%	0.301	S	S	.	.			trans	-74.7	-15.7	-168.5	-63	177.7	-176.5	173.4	0	114.7	D231	D231-K286 HydrophobicContact CB-CB 4.1Å; D231-K286 PolarHBondContact OD2-N 3.11Å
287	G	96.8	Very high	92	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.1	-146.2	176.4	0	0	0	0	0	114.2	S197 F230 D231 N285	S197-G287 WeakPolarHBondContact OG-CA 3.31Å; F230-G287 WeakPolarHBondContact CA-O 2.97Å; D231-G287 PolarHBondContact N-O 3.27Å; D231-G287 VanDerWaalsContact O-CA 3.22Å; D231-G287 WeakPolarHBondContact O-CA 3.46Å; D231-G287 PolarHBondContact O-N 3.12Å; N285-G287 VanDerWaalsContact C-N 3.3Å; N285-G287 PolarHBondContact O-N 3.15Å
288	W	97.6	Very high	90.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.5	-165.8	55.6	-92.5	0	0	0	111.9	L195 T196 S197 Y200 F230 I232 L245 V275 F277 I290	L195-W288 HydrophobicContact CB-CH2 4.17Å; L195-W288 HydrophobicContact CB-CZ3 3.79Å; T196-W288 WeakPolarHBondContact CA-O 3.49Å; S197-W288 PolarHBondContact N-O 2.86Å; S197-W288 PolarHBondContact OG-N 2.89Å; Y200-W288 WeakPolarHBondContact CD2-O 3.27Å; F230-W288 HydrophobicContact CD2-CB 3.86Å; F230-W288 HydrophobicContact CE2-CB 3.86Å; I232-W288 HydrophobicContact CD1-CB 4.19Å; I232-W288 HydrophobicContact CD1-CG 4.11Å; L245-W288 HydrophobicContact CD1-CD2 4.13Å; L245-W288 HydrophobicContact CD1-CH2 4.18Å; L245-W288 HydrophobicContact CD1-CZ2 3.76Å; L245-W288 HydrophobicContact CD2-CB 4.27Å; L245-W288 HydrophobicContact CD2-CD2 3.79Å; L245-W288 HydrophobicContact CD2-CE3 4.15Å; L245-W288 HydrophobicContact CD2-CG 3.83Å; V275-W288 HydrophobicContact CG1-CH2 3.99Å; V275-W288 HydrophobicContact CG1-CZ3 4.41Å; F277-W288 HydrophobicContact CB-CZ2 3.75Å; F277-W288 AromaticContact CD1-NE1 3.64Å; F277-W288 AromaticContact CD2-CD1 3.9Å; F277-W288 AromaticContact CD2-NE1 3.22Å; F277-W288 AromaticContact CE2-CD1 3.94Å; F277-W288 AromaticContact CE2-NE1 3.65Å; F277-W288 AromaticContact CG-CE2 3.99Å; F277-W288 HydrophobicContact CG-CZ2 4.16Å; F277-W288 AromaticContact CG-NE1 3.22Å; W288-I290 HydrophobicContact CE3-CD1 3.88Å; W288-I290 HydrophobicContact CE3-CG1 3.88Å; W288-I290 HydrophobicContact CZ3-CB 4.39Å; W288-I290 HydrophobicContact CZ3-CD1 3.74Å; W288-I290 HydrophobicContact CZ3-CG1 4.03Å
289	K	98.1	Very high	90.2	Very high	74 Å²	74	66.6 Å²	66.6	32%	0.322	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	126.9	170.1	178.5	168.6	-176.7	179.6	0	110.1	L195 T196 Y200 L227	L195-K289 CarbonylContact O-C 3.57Å; L195-K289 WeakPolarHBondContact O-CA 3.23Å; T196-K289 HydrophobicContact CG2-CB 4.01Å; T196-K289 HydrophobicContact CG2-CD 3.98Å; T196-K289 HydrophobicContact CG2-CG 3.75Å; Y200-K289 HydrophobicContact CD1-CB 4.27Å; Y200-K289 HydrophobicContact CD1-CD 4.33Å; Y200-K289 HydrophobicContact CE1-CB 3.69Å; Y200-K289 HydrophobicContact CE1-CD 3.7Å; Y200-K289 HydrophobicContact CE1-CG 4.32Å; Y200-K289 HydrophobicContact CE2-CB 4.05Å; L227-K289 HydrophobicContact CB-CB 4.39Å; L227-K289 HydrophobicContact CB-CG 4.43Å; L227-K289 HydrophobicContact CD1-CD 4.24Å; L227-K289 HydrophobicContact CD1-CG 4.25Å; L227-K289 PolarHBondContact N-O 3.22Å
290	I	98.3	Very high	90.1	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127	173.4	-65.1	165.3	0	0	0	107.8	A194 L195 L224 D225 F226 L245 I247 V275 W288	A194-I290 CarbonylContact C-O 3.57Å; A194-I290 WeakPolarHBondContact CA-O 3.38Å; A194-I290 WeakPolarHBondContact CB-O 3.41Å; L195-I290 PolarHBondContact N-O 3.07Å; L195-I290 PolarHBondContact O-N 3.43Å; L224-I290 HydrophobicContact CB-CG2 4.07Å; L224-I290 HydrophobicContact CD2-CG2 4.07Å; D225-I290 CarbonylContact O-C 3.5Å; D225-I290 WeakPolarHBondContact O-CA 3.29Å; F226-I290 HydrophobicContact CD1-CD1 4.19Å; F226-I290 HydrophobicContact CD1-CG1 3.65Å; F226-I290 HydrophobicContact CE1-CD1 3.73Å; F226-I290 HydrophobicContact CE1-CG1 3.73Å; F226-I290 HydrophobicContact CG-CG1 4.32Å; F226-I290 HydrophobicContact CZ-CD1 4.31Å; F226-I290 HydrophobicContact CZ-CG1 4.44Å; L245-I290 HydrophobicContact CD2-CD1 4.12Å; I247-I290 HydrophobicContact CD1-CD1 4.41Å; V275-I290 HydrophobicContact CG1-CD1 4.04Å; W288-I290 HydrophobicContact CE3-CD1 3.88Å; W288-I290 HydrophobicContact CE3-CG1 3.88Å; W288-I290 HydrophobicContact CZ3-CB 4.39Å; W288-I290 HydrophobicContact CZ3-CD1 3.74Å; W288-I290 HydrophobicContact CZ3-CG1 4.03Å
291	K	98.4	Very high	90.1	Very high	108 Å²	108	71.3 Å²	71.3	47%	0.47	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.6	162.7	-172.6	-178.3	178	-172	0	107.6	G193 D225 L227	G193-K291 WeakPolarHBondContact O-CA 3.3Å; D225-K291 PolarHBondContact N-O 3.08Å; D225-K291 PolarHBondContact O-N 2.03Å; L227-K291 HydrophobicContact CD1-CB 4.1Å
292	Y	98.4	Very high	90.4	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.008	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.9	175.7	78	-87.1	0	0	0	111.3	L188 S190 S192 G193 I214 I222 I223	L188-Y292 HydrophobicContact CB-CE1 4.32Å; L188-Y292 WeakPolarHBondContact CB-OH 3.46Å; L188-Y292 HydrophobicContact CD2-CE1 3.74Å; S190-Y292 WeakPolarHBondContact O-CE2 3.15Å; S190-Y292 PolarHBondContact O-OH 3.06Å; S192-Y292 VanDerWaalsContact CA-O 3.25Å; S192-Y292 WeakPolarHBondContact CA-O 3.17Å; S192-Y292 WeakPolarHBondContact CB-O 3.31Å; S192-Y292 PolarHBondContact O-OH 2.94Å; G193-Y292 VanDerWaalsContact C-CD1 3.46Å; G193-Y292 VanDerWaalsContact C-CE1 3.42Å; G193-Y292 VanDerWaalsContact N-CE1 3.34Å; G193-Y292 PolarHBondContact N-O 3.04Å; G193-Y292 VanDerWaalsContact N-O 3.07Å; G193-Y292 WeakPolarHBondContact O-CD1 3.07Å; G193-Y292 PolarHBondContact O-N 2.99Å; I214-Y292 HydrophobicContact CD1-CD1 3.73Å; I214-Y292 HydrophobicContact CD1-CD2 4.2Å; I214-Y292 HydrophobicContact CD1-CE1 4.21Å; I214-Y292 HydrophobicContact CD1-CG 3.73Å; I214-Y292 HydrophobicContact CG1-CD1 4.38Å; I214-Y292 HydrophobicContact CG1-CE1 4.38Å; I214-Y292 HydrophobicContact CG2-CD2 3.91Å; I214-Y292 HydrophobicContact CG2-CE2 3.6Å; I214-Y292 HydrophobicContact CG2-CG 4.5Å; I222-Y292 HydrophobicContact CG2-CD2 4.34Å; I223-Y292 WeakPolarHBondContact O-CA 3.47Å
293	T	97.9	Very high	91	Very high	47 Å²	47	70.4 Å²	70.4	29%	0.288	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	162.1	171.6	60.5	0	0	0	0	109.3	A191 I223	A191-T293 CarbonylContact O-C 3.58Å; I223-T293 PolarHBondContact N-O 3.2Å; I223-T293 PolarHBondContact O-N 3.41Å
294	S	96	Very high	91.6	Very high	34 Å²	34	73.3 Å²	73.3	24%	0.238	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.1	175.7	67.3	0	0	0	0	111.9	A191 R221	A191-S294 WeakPolarHBondContact CA-OG 3.32Å; A191-S294 WeakPolarHBondContact CB-OG 3.45Å; A191-S294 PolarHBondContact O-N 3.03Å; A191-S294 PolarHBondContact O-OG 2.99Å; A191-S294 VanDerWaalsContact O-OG 3.08Å; R221-S294 CarbonylContact O-C 3.52Å; R221-S294 VanDerWaalsContact O-CA 3.25Å; R221-S294 WeakPolarHBondContact O-CA 3.23Å
295	T	93.6	Very high	91.7	Very high	66 Å²	66	65.6 Å²	65.6	41%	0.405	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	162.2	165.2	56.2	0	0	0	0	109.6	R221 I223	R221-T295 PolarHBondContact N-O 2.64Å; R221-T295 PolarHBondContact O-N 3.4Å; I223-T295 HydrophobicContact CD1-CG2 4.06Å
296	T	85.6	Confident	91.3	Very high	125 Å²	125	68.1 Å²	68.1	77%	0.767	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	131	165.7	42.2	0	0	0	0	108.5	E298	T296-E298 PolarHBondContact O-N 2.87Å
297	A	70.5	Confident	90.9	Very high	54 Å²	54	64.7 Å²	64.7	45%	0.446	35%	0.349	S	S	.	.			trans	-63.6	127.7	168.2	0	0	0	0	0	108.5	G219	G219-A297 VanDerWaalsContact O-CB 3.28Å; G219-A297 WeakPolarHBondContact O-CB 3.37Å; G219-A297 PolarHBondContact O-N 2.85Å
298	E	59.2	Low	90.3	Very high	265 Å²	265	70.5 Å²	70.5	100%	1.238	38%	0.381	S	S	*	.			trans	-69.5	0	169.9	-71.1	-173.2	156.5	0	0	111.5	T296	T296-E298 PolarHBondContact O-N 2.87Å

Retrieved 298 of 298 residues in 193.9 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).