A0A077Z376_TRITR Loading...

Trypsin and CUB domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z376, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 597 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	30.7	Very low	244 Å²	244	130.5 Å²	130.5	100%	1.202	79%	0.792	S	S	*	*				0	95.2	0	-77.5	170.1	173.9	0	0	107
2	A	35.2	Very low	31	Very low	94 Å²	94	129.2 Å²	129.2	78%	0.777	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-84.1	137.8	165.8	0	0	0	0	0	107.3
3	P	34.6	Very low	30.7	Very low	121 Å²	121	127.2 Å²	127.2	79%	0.786	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-68.4	145.3	176.1	29.1	-31.3	0	0	0	109.7
4	P	31.4	Very low	30.7	Very low	113 Å²	113	129.1 Å²	129.1	73%	0.734	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-80.3	142	-172.1	32.3	-32.6	0	0	0	111.4	V6	P4-V6 PolarHBondContact O-N 3.1Å
5	A	33.1	Very low	30.8	Very low	96 Å²	96	131.3 Å²	131.3	79%	0.793	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-61.6	119.3	165.3	0	0	0	0	0	109	I7	A5-I7 PolarHBondContact O-N 3.44Å
6	V	28.7	Very low	30.6	Very low	134 Å²	134	128.1 Å²	128.1	81%	0.812	79%	0.791	S	S	*	*			trans	-74.9	111.8	174.8	175.6	0	0	0	0	108	P4	P4-V6 PolarHBondContact O-N 3.1Å
7	I	24.7	Very low	30.5	Very low	151 Å²	151	128.8 Å²	128.8	77%	0.774	79%	0.788	S	S	*	*			trans	-88.7	120.7	160.6	-62.8	168.9	0	0	0	106.5	A5	A5-I7 PolarHBondContact O-N 3.44Å
8	A	32.1	Very low	30.3	Very low	86 Å²	86	130.7 Å²	130.7	71%	0.711	79%	0.786	S	S	*	*			trans	-133.4	96.1	159.2	0	0	0	0	0	104.9
9	N	25.7	Very low	30.3	Very low	124 Å²	124	130.8 Å²	130.8	66%	0.663	79%	0.792	S	S	*	*				52.4	117	86.6	-96.7	43	0	0	0	115.9
10	D	27.2	Very low	30.3	Very low	125 Å²	125	136.7 Å²	136.7	67%	0.668	80%	0.799	S	S	*	*			trans	58.6	111	138.1	-60.3	-24.8	0	0	0	119.4
11	D	28.1	Very low	30.6	Very low	147 Å²	147	135.2 Å²	135.2	79%	0.786	80%	0.796	S	S	*	*				159.3	118.4	91.4	-99.9	-31	0	0	0	109.7
12	S	34.5	Very low	30.6	Very low	115 Å²	115	130.7 Å²	130.7	80%	0.804	78%	0.776	S	S	*	*			trans	163.4	80.9	133.9	41.6	0	0	0	0	110.9	I14	S12-I14 PolarHBondContact O-N 3.22Å
13	A	27.4	Very low	30.7	Very low	103 Å²	103	133.9 Å²	133.9	85%	0.851	78%	0.78	S	S	*	*			trans	-74.9	100.5	155.7	0	0	0	0	0	109.2
14	I	30	Very low	30.8	Very low	154 Å²	154	136.1 Å²	136.1	79%	0.79	78%	0.784	S	S	*	*			trans	-144.4	134.4	158.1	-64.3	-173.3	0	0	0	109.5	S12	S12-I14 PolarHBondContact O-N 3.22Å
15	L	32.1	Very low	31.3	Very low	163 Å²	163	137.4 Å²	137.4	85%	0.853	79%	0.79	S	S	*	*			trans	91.3	70	174.7	-68.6	148.6	0	0	0	116.8
16	A	27.9	Very low	31.9	Very low	79 Å²	79	140 Å²	140	65%	0.653	79%	0.789	S	S	*	*			trans	-51.9	159.2	140.9	0	0	0	0	0	113.5
17	L	29	Very low	32.3	Very low	140 Å²	140	141.2 Å²	141.2	73%	0.733	79%	0.79	S	S	*	*			trans	94.3	109	151.4	-68.6	133.9	0	0	0	119.1
18	H	27.2	Very low	32.8	Very low	164 Å²	164	139.5 Å²	139.5	76%	0.759	79%	0.79	S	S	*	*			trans	70.5	95.3	140.6	-65.8	-38.7	0	0	0	118.7
19	C	29.7	Very low	33.5	Very low	133 Å²	133	140.4 Å²	140.4	90%	0.899	79%	0.789	S	S	*	*			trans	-134.1	66.7	143.7	-139.1	0	0	0	0	110.3
20	R	30.3	Very low	34.1	Very low	248 Å²	248	142.6 Å²	142.6	94%	0.936	79%	0.793	S	S	*	*			trans	-94.4	95.1	153.3	-83.6	-171.1	177.7	-153	0.5	106.4
21	S	36.6	Very low	34.9	Very low	106 Å²	106	147.5 Å²	147.5	74%	0.741	80%	0.804	S	S	*	*	S	Bend	trans	178.9	140.5	142.3	-170.3	0	0	0	0	109.1
22	L	36	Very low	35.3	Very low	149 Å²	149	144.5 Å²	144.5	78%	0.78	80%	0.8	S	S	*	*			trans	-52.2	156.7	177.7	-77.8	78.1	0	0	0	113.1
23	L	37.9	Very low	35.6	Very low	161 Å²	161	144.5 Å²	144.5	84%	0.843	79%	0.794	S	S	*	*			trans	88.5	83.3	170.3	-68.2	117.1	0	0	0	115.7
24	L	36.4	Very low	36.1	Very low	167 Å²	167	146.4 Å²	146.4	87%	0.874	80%	0.796	S	S	*	*			trans	-164.2	61.8	133.4	-97.4	150.6	0	0	0	108.8	L26	L24-L26 VanDerWaalsContact C-N 3.3Å; L24-L26 PolarHBondContact O-N 2.99Å; L24-L26 VanDerWaalsContact O-N 3.1Å
25	V	43.2	Very low	36.6	Very low	141 Å²	141	145 Å²	145	86%	0.855	79%	0.789	S	S	*	*			trans	-66.6	98.4	152.4	174.4	0	0	0	0	104.7
26	L	44.3	Very low	37.2	Very low	149 Å²	149	146.1 Å²	146.1	78%	0.78	79%	0.787	S	S	*	*			trans	175.7	33.5	154.5	-95.8	165.2	0	0	0	114.3	L24	L24-L26 VanDerWaalsContact C-N 3.3Å; L24-L26 PolarHBondContact O-N 2.99Å; L24-L26 VanDerWaalsContact O-N 3.1Å
27	L	37.2	Very low	38.5	Very low	161 Å²	161	145.6 Å²	145.6	84%	0.843	78%	0.776	S	S	*	*	S	Bend	trans	-147.7	74.9	165.2	-72.1	177.6	0	0	0	111.4
28	C	35.4	Very low	40.5	Very low	114 Å²	114	148.3 Å²	148.3	77%	0.77	79%	0.785	S	S	*	*			trans	-164.4	82.4	152.4	-110.7	0	0	0	0	110.3	F30	C28-F30 VanDerWaalsContact C-N 3.34Å; C28-F30 PolarHBondContact O-N 2.86Å
29	P	46.4	Very low	43.4	Very low	106 Å²	106	142.1 Å²	142.1	69%	0.688	76%	0.76	S	S	*	*			trans	-94.1	60.1	167.5	38	-29.5	0	0	0	109.7
30	F	40.1	Very low	46.3	Very low	170 Å²	170	137 Å²	137	75%	0.746	73%	0.73	S	S	*	*			trans	-152	71.1	173.1	-71.9	-73.8	0	0	0	111.8	C28	C28-F30 VanDerWaalsContact C-N 3.34Å; C28-F30 PolarHBondContact O-N 2.86Å
31	Y	42.2	Very low	49.4	Very low	227 Å²	227	129.7 Å²	129.7	89%	0.89	71%	0.705	S	S	*	*			trans	-126.5	57.8	142.7	-73.8	-78.8	0	0	0	107.4	V33	Y31-V33 PolarHBondContact O-N 3.37Å
32	A	38.2	Very low	52.3	Low	85 Å²	85	130.7 Å²	130.7	70%	0.702	70%	0.702	S	S	*	*			trans	-70.4	105.5	152.7	0	0	0	0	0	105	T34	A32-T34 PolarHBondContact O-N 3.16Å
33	V	39.4	Very low	55.2	Low	115 Å²	115	124.5 Å²	124.5	70%	0.697	67%	0.674	S	S	*	*			trans	-51.3	110.8	166.2	179.9	0	0	0	0	106.2	Y31 L35	Y31-V33 PolarHBondContact O-N 3.37Å; V33-L35 HydrophobicContact CG1-CD1 4.04Å; V33-L35 HydrophobicContact CG1-CG 3.98Å; V33-L35 PolarHBondContact O-N 3.22Å
34	T	38.2	Very low	58	Low	143 Å²	143	120.9 Å²	120.9	88%	0.877	66%	0.659	S	S	*	*			trans	-68.4	84.8	168.7	43.5	0	0	0	0	107.5	A32	A32-T34 PolarHBondContact O-N 3.16Å
35	L	41.1	Very low	61	Low	125 Å²	125	113.4 Å²	113.4	65%	0.654	62%	0.619	S	S	*	*			trans	-78.9	147.3	162.1	-86	144.4	0	0	0	108.5	V33	V33-L35 HydrophobicContact CG1-CD1 4.04Å; V33-L35 HydrophobicContact CG1-CG 3.98Å; V33-L35 PolarHBondContact O-N 3.22Å
36	F	45.3	Very low	63.5	Low	186 Å²	186	112.6 Å²	112.6	82%	0.816	61%	0.605	S	S	*	*			trans	90.8	85.9	174.2	-65.4	-87.1	0	0	0	117.4
37	T	53.5	Low	66	Low	67 Å²	67	108.7 Å²	108.7	41%	0.411	59%	0.594	S	S	.	*			trans	-80.6	116.6	132.8	49.1	0	0	0	0	107.4	C39	T37-C39 VanDerWaalsContact C-N 3.32Å; T37-C39 PolarHBondContact O-N 3.08Å
38	E	71.3	Confident	68.7	Low	197 Å²	197	103.4 Å²	103.4	92%	0.921	58%	0.578	S	S	*	*			trans	-62.3	94.3	168.4	-73	-175.9	170.2	0	0	108.8
39	C	88.7	Confident	71.7	Confident	34 Å²	34	101.1 Å²	101.1	23%	0.23	56%	0.558	C	S	.	*			trans	-111.5	156	167.1	58.1	0	0	0	0	109	T37 P56 C69	T37-C39 VanDerWaalsContact C-N 3.32Å; T37-C39 PolarHBondContact O-N 3.08Å; C39-P56 HydrophobicContact CB-CG 3.93Å; C39-C69 HydrophobicContact CB-CB 3.77Å; C39-C69 WeakPolarHBondContact CB-SG 3.48Å; C39-C69 WeakPolarHBondContact SG-CA 3.42Å; C39-C69 WeakPolarHBondContact SG-CB 3.21Å; C39-C69 CovalentContact SG-SG 2.02Å; C39-C69 PolarHBondContact SG-SG 3.18Å
40	G	91.4	Very high	74.1	Confident	27 Å²	27	100 Å²	100	28%	0.278	55%	0.549	S	S	.	.			trans	93.7	148.3	-170.1	0	0	0	0	0	112.5	I70	G40-I70 WeakPolarHBondContact CA-O 3.26Å
41	F	95.6	Very high	76.7	Confident	94 Å²	94	92.9 Å²	92.9	41%	0.412	52%	0.52	S	S	.	.			trans	-163.8	162.7	173.3	58.8	-91.8	0	0	0	109.8	V51 W71 H72 F73	F41-V51 HydrophobicContact CE2-CG2 3.78Å; F41-V51 HydrophobicContact CZ-CG2 3.65Å; F41-W71 AromaticContact CD1-CD1 3.39Å; F41-W71 AromaticContact CD1-NE1 3.61Å; F41-W71 AromaticContact CE1-CD1 3.36Å; F41-W71 AromaticContact CE1-NE1 3.52Å; F41-W71 WeakPolarHBondContact O-CA 3.28Å; F41-H72 PolarHBondContact O-N 2.82Å; F41-F73 HydrophobicContact CD2-CE1 4.29Å; F41-F73 AromaticContact CE2-CE1 3.63Å; F41-F73 HydrophobicContact CE2-CE1 3.63Å; F41-F73 AromaticContact CE2-CZ 3.8Å; F41-F73 HydrophobicContact CE2-CZ 3.8Å; F41-F73 HydrophobicContact CZ-CE1 4.25Å; F41-F73 AromaticContact CZ-CZ 3.99Å; F41-F73 HydrophobicContact CZ-CZ 3.99Å
42	D	96.6	Very high	79.2	Confident	126 Å²	126	85.5 Å²	85.5	67%	0.674	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	139.7	174.8	-64.3	-13.1	0	0	0	110.9	H72	D42-H72 CarbonylContact C-O 3.5Å; D42-H72 VanDerWaalsContact CA-O 3.24Å; D42-H72 WeakPolarHBondContact CA-O 3.3Å; D42-H72 WeakPolarHBondContact OD1-CB 3.03Å; D42-H72 IonicContact OD1-CD2 3.55Å; D42-H72 PolarHBondContact OD1-CD2 3.41Å; D42-H72 IonicContact OD1-CG 3.96Å
43	G	96.6	Very high	81.9	Confident	19 Å²	19	81.5 Å²	81.5	20%	0.196	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.6	178.4	0	0	0	0	0	113.4	H72 F73 K74	G43-H72 PolarHBondContact N-O 3.25Å; G43-F73 CarbonylContact O-C 3.51Å; G43-F73 VanDerWaalsContact O-CA 3.3Å; G43-F73 WeakPolarHBondContact O-CA 3.07Å; G43-K74 PolarHBondContact O-N 3.48Å
44	V	98	Very high	84.5	Confident	86 Å²	86	80.2 Å²	80.2	52%	0.521	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.3	170.7	-177.2	0	0	0	0	108.1	K74 L76	V44-K74 CarbonylContact C-O 3.43Å; V44-K74 VanDerWaalsContact CA-O 3.29Å; V44-K74 WeakPolarHBondContact CA-O 3.34Å; V44-K74 HydrophobicContact CG2-CB 4.37Å; V44-L76 HydrophobicContact CG1-CD1 3.94Å; V44-L76 HydrophobicContact CG1-CD2 4.15Å; V44-L76 HydrophobicContact CG1-CG 3.82Å
45	L	97.4	Very high	87	Confident	9 Å²	9	73.5 Å²	73.5	5%	0.047	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.2	-176.5	-55.1	179.6	0	0	0	111.5	D49 V51 F73 K74 L76 F132 A153	L45-D49 HydrophobicContact CB-CB 4.43Å; L45-D49 HydrophobicContact CD2-CB 4.2Å; L45-V51 HydrophobicContact CD1-CG1 3.84Å; L45-V51 HydrophobicContact CD2-CB 3.97Å; L45-V51 HydrophobicContact CD2-CG1 3.83Å; L45-V51 HydrophobicContact CG-CG1 4.44Å; L45-F73 HydrophobicContact CG-CD1 4.49Å; L45-K74 PolarHBondContact N-O 2.92Å; L45-L76 PolarHBondContact O-N 2.83Å; L45-F132 HydrophobicContact CD1-CE1 4Å; L45-F132 HydrophobicContact CD1-CZ 3.76Å; L45-A153 HydrophobicContact CB-CB 3.64Å; L45-A153 HydrophobicContact CD1-CB 4.19Å
46	K	96.9	Very high	89.5	Confident	125 Å²	125	68 Å²	68	54%	0.543	38%	0.378	S	S	.	.			trans	-110.5	171.9	171.9	-63.3	174.7	-173.6	173.5	0	110.4	G48 D49 L76 A153	K46-G48 PolarHBondContact O-N 2.99Å; K46-D49 WeakPolarHBondContact CB-OD2 3.01Å; K46-D49 PolarHBondContact N-OD2 2.81Å; K46-D49 WeakPolarHBondContact O-CB 3.34Å; K46-D49 PolarHBondContact O-N 2.87Å; K46-L76 HydrophobicContact CG-CD1 4.03Å; K46-A153 WeakPolarHBondContact O-CB 3.4Å
47	A	95.8	Very high	91.7	Very high	67 Å²	67	62.3 Å²	62.3	55%	0.554	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	123.1	177	0	0	0	0	0	111.5	V77	A47-V77 HydrophobicContact CB-CG1 3.73Å
48	G	95	Very high	93.4	Very high	50 Å²	50	61.3 Å²	61.3	52%	0.515	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-11.9	179.9	0	0	0	0	0	114.6	K46 A153	K46-G48 PolarHBondContact O-N 2.99Å; G48-A153 PolarHBondContact N-O 2.83Å
49	D	97.7	Very high	94.3	Very high	66 Å²	66	56 Å²	56	35%	0.353	33%	0.328	S	S	.	.			trans	-66.8	141.6	177.6	-68	-12.2	0	0	0	110.3	L45 K46 R152 A153	L45-D49 HydrophobicContact CB-CB 4.43Å; L45-D49 HydrophobicContact CD2-CB 4.2Å; K46-D49 WeakPolarHBondContact CB-OD2 3.01Å; K46-D49 PolarHBondContact N-OD2 2.81Å; K46-D49 WeakPolarHBondContact O-CB 3.34Å; K46-D49 PolarHBondContact O-N 2.87Å; D49-R152 CarbonylContact O-C 3.52Å; D49-R152 WeakPolarHBondContact O-CA 3.21Å; D49-A153 PolarHBondContact O-N 2.72Å
50	V	96.3	Very high	94.2	Very high	82 Å²	82	59.3 Å²	59.3	50%	0.497	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.9	173.6	-176.1	0	0	0	0	107.8	F151 R152	V50-F151 CarbonylContact C-O 3.48Å; V50-F151 WeakPolarHBondContact CA-O 3.43Å; V50-R152 HydrophobicContact CG2-CB 4Å; V50-R152 HydrophobicContact CG2-CG 3.86Å
51	V	96	Very high	94	Very high	20 Å²	20	62.3 Å²	62.3	12%	0.121	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.5	173.7	66.3	0	0	0	0	110.2	F41 L45 F73 F151	F41-V51 HydrophobicContact CE2-CG2 3.78Å; F41-V51 HydrophobicContact CZ-CG2 3.65Å; L45-V51 HydrophobicContact CD1-CG1 3.84Å; L45-V51 HydrophobicContact CD2-CB 3.97Å; L45-V51 HydrophobicContact CD2-CG1 3.83Å; L45-V51 HydrophobicContact CG-CG1 4.44Å; V51-F73 HydrophobicContact CB-CE1 4.33Å; V51-F73 HydrophobicContact CG1-CD1 4.29Å; V51-F73 HydrophobicContact CG1-CE1 3.8Å; V51-F73 HydrophobicContact CG1-CE2 4.48Å; V51-F73 HydrophobicContact CG1-CZ 3.89Å; V51-F73 HydrophobicContact CG2-CE1 3.77Å; V51-F73 HydrophobicContact CG2-CZ 3.91Å; V51-F151 HydrophobicContact CG1-CB 3.82Å; V51-F151 PolarHBondContact N-O 2.92Å; V51-F151 PolarHBondContact O-N 2.98Å
52	N	94.8	Very high	93.6	Very high	73 Å²	73	60.2 Å²	60.2	39%	0.39	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.7	179.2	-60.2	-26.5	0	0	0	109.8	L149 S150	N52-L149 CarbonylContact C-O 3.59Å; N52-L149 WeakPolarHBondContact CA-O 3.38Å; N52-S150 PolarHBondContact OD1-OG 2.83Å
53	V	93.5	Very high	93.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.1	175.5	170.5	0	0	0	0	107.6	W71 F73 V134 F147 L149 F151	V53-W71 HydrophobicContact CG1-CD2 3.55Å; V53-W71 HydrophobicContact CG1-CE3 3.58Å; V53-W71 HydrophobicContact CG1-CG 4.18Å; V53-W71 HydrophobicContact CG1-CH2 3.89Å; V53-W71 HydrophobicContact CG1-CZ2 3.88Å; V53-W71 HydrophobicContact CG1-CZ3 3.75Å; V53-W71 HydrophobicContact CG2-CB 4.47Å; V53-W71 HydrophobicContact CG2-CD2 4.38Å; V53-W71 HydrophobicContact CG2-CG 4.14Å; V53-F73 HydrophobicContact CG2-CE2 3.73Å; V53-F73 HydrophobicContact CG2-CZ 3.86Å; V53-V134 HydrophobicContact CG1-CG1 4.1Å; V53-F147 HydrophobicContact CG1-CE2 4.07Å; V53-L149 HydrophobicContact CB-CB 4.42Å; V53-L149 PolarHBondContact N-O 3.04Å; V53-L149 PolarHBondContact O-N 2.88Å; V53-F151 HydrophobicContact CB-CD2 4.31Å; V53-F151 HydrophobicContact CB-CE2 3.91Å; V53-F151 HydrophobicContact CG2-CD2 3.91Å; V53-F151 HydrophobicContact CG2-CE2 3.78Å
54	K	93.8	Very high	93.2	Very high	88 Å²	88	55.1 Å²	55.1	38%	0.383	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.5	-174.4	-65.9	174.4	175.8	-171.1	0	109.9	Y58 W71 F147 N148	K54-Y58 HydrophobicContact CB-CD1 4.39Å; K54-Y58 HydrophobicContact CD-CD1 4.02Å; K54-Y58 HydrophobicContact CG-CD1 4.16Å; K54-W71 WeakPolarHBondContact O-CZ2 3.41Å; K54-F147 WeakPolarHBondContact CA-O 3.4Å; K54-N148 VanDerWaalsContact CE-OD1 3.3Å; K54-N148 WeakPolarHBondContact CE-OD1 3.5Å; K54-N148 HydrophobicContact CG-CB 4.33Å; K54-N148 WeakPolarHBondContact CG-OD1 3.37Å
55	S	92.1	Very high	92.7	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.021	32%	0.315	C	S	.	.			trans	-61.8	153.4	167.6	55.9	0	0	0	0	110.3	Y58 G146 F147	S55-Y58 WeakPolarHBondContact O-CB 3.33Å; S55-Y58 PolarHBondContact O-N 2.9Å; S55-Y58 WeakPolarHBondContact OG-CB 3.1Å; S55-G146 VanDerWaalsContact OG-CA 3.26Å; S55-G146 WeakPolarHBondContact OG-CA 3.36Å; S55-F147 VanDerWaalsContact N-CE2 3.33Å; S55-F147 PolarHBondContact N-O 3.42Å; S55-F147 VanDerWaalsContact N-O 3.09Å; S55-F147 PolarHBondContact OG-N 2.02Å
56	P	92.7	Very high	92.4	Very high	10 Å²	10	59.2 Å²	59.2	7%	0.065	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	145.6	174.8	-23.1	32.6	0	0	0	111.4	C39 Y58 P64 C69	C39-P56 HydrophobicContact CB-CG 3.93Å; P56-Y58 PolarHBondContact O-N 2.86Å; P56-P64 HydrophobicContact CB-CG 4.24Å; P56-C69 WeakPolarHBondContact CG-SG 3.34Å
57	N	91	Very high	92.2	Very high	66 Å²	66	53.7 Å²	53.7	35%	0.353	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-2	-179.5	-46	-32.9	0	0	0	116.3	T60 D61 P62	N57-T60 PolarHBondContact O-N 2.99Å; N57-T60 PolarHBondContact O-OG1 3.13Å; N57-D61 CarbonylContact C-O 3.59Å; N57-D61 HydrophobicContact CB-CB 3.9Å; N57-D61 WeakPolarHBondContact CB-O 3.01Å; N57-D61 PolarHBondContact O-N 3.35Å; N57-P62 PolarHBondContact ND2-O 2.85Å
58	Y	89.7	Confident	92.1	Very high	46 Å²	46	55.7 Å²	55.7	18%	0.18	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	134.9	176.1	178.3	-87.8	0	0	0	111.3	K54 S55 P56 F86 M145 N148	K54-Y58 HydrophobicContact CB-CD1 4.39Å; K54-Y58 HydrophobicContact CD-CD1 4.02Å; K54-Y58 HydrophobicContact CG-CD1 4.16Å; S55-Y58 WeakPolarHBondContact O-CB 3.33Å; S55-Y58 PolarHBondContact O-N 2.9Å; S55-Y58 WeakPolarHBondContact OG-CB 3.1Å; P56-Y58 PolarHBondContact O-N 2.86Å; Y58-F86 HydrophobicContact CD2-CD1 4.16Å; Y58-F86 HydrophobicContact CD2-CE1 4.49Å; Y58-F86 HydrophobicContact CE2-CB 4.17Å; Y58-F86 AromaticContact CE2-CD1 3.42Å; Y58-F86 HydrophobicContact CE2-CD1 3.42Å; Y58-F86 VanDerWaalsContact CE2-CD1 3.42Å; Y58-F86 AromaticContact CE2-CE1 3.98Å; Y58-F86 HydrophobicContact CE2-CE1 3.98Å; Y58-F86 AromaticContact CE2-CG 3.9Å; Y58-F86 HydrophobicContact CE2-CG 3.9Å; Y58-F86 WeakPolarHBondContact OH-CB 3.06Å; Y58-M145 HydrophobicContact CD2-CG 4.42Å; Y58-N148 HydrophobicContact CD1-CB 4.17Å; Y58-N148 HydrophobicContact CE1-CB 3.54Å
59	P	90.6	Very high	92.1	Very high	84 Å²	84	53.3 Å²	53.3	55%	0.545	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	cis	-100.1	14.8	4	39.2	-36	0	0	0	114.3
60	T	87.7	Confident	91.9	Very high	104 Å²	104	52.9 Å²	52.9	64%	0.638	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-44.7	-170.4	62.1	0	0	0	0	112.5	N57	N57-T60 PolarHBondContact O-N 2.99Å; N57-T60 PolarHBondContact O-OG1 3.13Å
61	D	85.8	Confident	91.9	Very high	90 Å²	90	49.3 Å²	49.3	48%	0.481	27%	0.265	S	S	.	.	S	Bend	trans	-138.9	160.9	-174.3	-52.8	-82.4	0	0	0	111	N57	N57-D61 CarbonylContact C-O 3.59Å; N57-D61 HydrophobicContact CB-CB 3.9Å; N57-D61 WeakPolarHBondContact CB-O 3.01Å; N57-D61 PolarHBondContact O-N 3.35Å
62	P	88.3	Confident	91.9	Very high	50 Å²	50	52.5 Å²	52.5	33%	0.325	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-55.1	153.8	169.6	-26	36.2	0	0	0	113.1	N57 H143 W144	N57-P62 PolarHBondContact ND2-O 2.85Å; P62-H143 HydrophobicContact CB-CB 4.39Å; P62-H143 WeakPolarHBondContact CB-CD2 3.33Å; P62-W144 WeakPolarHBondContact CA-O 3.34Å; P62-W144 VanDerWaalsContact CB-O 3.31Å; P62-W144 WeakPolarHBondContact CB-O 3.46Å
63	Y	91.8	Very high	92	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-67.2	149.3	172.3	56.5	-97.2	0	0	0	110.6	E90 D99 F136 H143 W144 G146	Y63-E90 PolarHBondContact OH-N 3.12Å; Y63-E90 VanDerWaalsContact OH-N 3.12Å; Y63-D99 WeakPolarHBondContact CE2-OD2 3.39Å; Y63-D99 PolarHBondContact OH-OD2 2.95Å; Y63-F136 HydrophobicContact CD1-CE1 4.47Å; Y63-F136 HydrophobicContact CD1-CZ 4.15Å; Y63-F136 AromaticContact CD2-CE1 3.91Å; Y63-F136 HydrophobicContact CD2-CE1 3.91Å; Y63-F136 AromaticContact CD2-CZ 3.75Å; Y63-F136 HydrophobicContact CD2-CZ 3.75Å; Y63-F136 HydrophobicContact CE1-CZ 4.22Å; Y63-F136 HydrophobicContact CE2-CE1 4.45Å; Y63-F136 AromaticContact CE2-CZ 3.83Å; Y63-F136 HydrophobicContact CE2-CZ 3.83Å; Y63-F136 AromaticContact CG-CE1 3.92Å; Y63-F136 HydrophobicContact CG-CE1 3.92Å; Y63-F136 AromaticContact CG-CZ 3.91Å; Y63-F136 HydrophobicContact CG-CZ 3.91Å; Y63-H143 HydrophobicContact CD2-CB 3.7Å; Y63-H143 HydrophobicContact CE2-CB 3.44Å; Y63-H143 VanDerWaalsContact CE2-CB 3.44Å; Y63-H143 HydrophobicContact CG-CB 4.34Å; Y63-H143 WeakPolarHBondContact O-CB 3.47Å; Y63-H143 VanDerWaalsContact O-CG 3.25Å; Y63-H143 PolarHBondContact O-ND1 2.74Å; Y63-W144 WeakPolarHBondContact CD1-O 3.39Å; Y63-W144 HydrophobicContact CE1-CB 4.06Å; Y63-W144 VanDerWaalsContact CE1-N 3.28Å; Y63-W144 WeakPolarHBondContact CE1-O 3.4Å; Y63-W144 VanDerWaalsContact CZ-N 3.27Å; Y63-W144 PolarHBondContact N-O 3.07Å; Y63-W144 PolarHBondContact OH-N 2.83Å; Y63-G146 VanDerWaalsContact CD1-CA 3.48Å
64	P	91.7	Very high	92.2	Very high	37 Å²	37	53.5 Å²	53.5	24%	0.24	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-73	160	-177.3	26.7	-29.1	0	0	0	111.9	P56 A67 S138	P56-P64 HydrophobicContact CB-CG 4.24Å; P64-A67 HydrophobicContact CG-CB 3.98Å; P64-S138 PolarHBondContact O-OG 2.9Å
65	H	88	Confident	92.3	Very high	76 Å²	76	49.3 Å²	49.3	35%	0.352	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	151.1	166.6	-66	-56.5	0	0	0	111.5	A67 D139 H141 H143	H65-A67 PolarHBondContact O-N 2.7Å; H65-A67 VanDerWaalsContact O-N 3.16Å; H65-D139 CarbonylContact C-O 3.48Å; H65-D139 WeakPolarHBondContact CA-O 3.41Å; H65-D139 WeakPolarHBondContact CB-O 3.34Å; H65-H141 PolarHBondContact CE1-O 2.92Å; H65-H143 AromaticContact CD2-CE1 3.91Å; H65-H143 AromaticContact CD2-ND1 3.65Å; H65-H143 AromaticContact CE1-CE1 3.7Å; H65-H143 AromaticContact CE1-CG 3.88Å; H65-H143 AromaticContact CE1-ND1 3.13Å; H65-H143 PolarHBondContact CE1-ND1 2.82Å; H65-H143 AromaticContact CG-ND1 3.96Å; H65-H143 AromaticContact ND1-ND1 3.67Å; H65-H143 AromaticContact NE2-CE1 3.22Å; H65-H143 PolarHBondContact NE2-CE1 2.98Å; H65-H143 AromaticContact NE2-ND1 3.08Å; H65-H143 PolarHBondContact NE2-ND1 2.85Å
66	N	91.7	Very high	92.6	Very high	106 Å²	106	52.9 Å²	52.9	57%	0.567	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	30.9	-179.8	-58.6	-68.4	0	0	0	113.2	S138 D139	N66-S138 VanDerWaalsContact CA-O 3.26Å; N66-S138 WeakPolarHBondContact CA-O 3.41Å; N66-S138 PolarHBondContact N-O 2.54Å; N66-S138 PolarHBondContact N-OG 2.86Å; N66-D139 PolarHBondContact N-O 2.75Å
67	A	92	Very high	92.7	Very high	9 Å²	9	53.2 Å²	53.2	7%	0.074	28%	0.281	C	S	.	.			trans	-71.8	137.6	177.1	0	0	0	0	0	109.2	P64 H65 R137 S138	P64-A67 HydrophobicContact CG-CB 3.98Å; H65-A67 PolarHBondContact O-N 2.7Å; H65-A67 VanDerWaalsContact O-N 3.16Å; A67-R137 VanDerWaalsContact O-CA 3.28Å; A67-R137 WeakPolarHBondContact O-CA 3.35Å; A67-S138 WeakPolarHBondContact CB-OG 3.43Å; A67-S138 PolarHBondContact N-OG 2.98Å; A67-S138 PolarHBondContact O-N 3.04Å
68	E	93.9	Very high	92.8	Very high	108 Å²	108	50.3 Å²	50.3	51%	0.505	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	108.7	166.8	-177.9	167.6	-138.6	0	0	108.3	I70 F136 R137	E68-I70 HydrophobicContact CG-CD1 4.29Å; E68-I70 HydrophobicContact CG-CG1 4.24Å; E68-F136 WeakPolarHBondContact CA-O 3.34Å; E68-R137 HydrophobicContact CG-CG 4.26Å; E68-R137 IonicContact OE1-CZ 3.19Å; E68-R137 IonicContact OE1-NE 2.83Å; E68-R137 PolarHBondContact OE1-NE 3.04Å; E68-R137 IonicContact OE1-NH2 2.77Å; E68-R137 PolarHBondContact OE1-NH2 2.62Å
69	C	94.4	Very high	92.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.6	179.3	-53.6	0	0	0	0	109.6	C39 P56 W71 T135 F136	C39-C69 HydrophobicContact CB-CB 3.77Å; C39-C69 WeakPolarHBondContact CB-SG 3.48Å; C39-C69 WeakPolarHBondContact SG-CA 3.42Å; C39-C69 WeakPolarHBondContact SG-CB 3.21Å; C39-C69 CovalentContact SG-SG 2.02Å; C39-C69 PolarHBondContact SG-SG 3.18Å; P56-C69 WeakPolarHBondContact CG-SG 3.34Å; C69-W71 HydrophobicContact CB-CE3 4.33Å; C69-W71 HydrophobicContact CB-CH2 3.28Å; C69-W71 HydrophobicContact CB-CZ2 3.8Å; C69-W71 HydrophobicContact CB-CZ3 3.59Å; C69-T135 CarbonylContact O-C 3.59Å; C69-T135 WeakPolarHBondContact O-CA 3.18Å; C69-F136 HydrophobicContact CB-CB 4.34Å; C69-F136 PolarHBondContact N-O 3.02Å; C69-F136 PolarHBondContact O-N 3.24Å
70	I	94.8	Very high	93	Very high	58 Å²	58	44.1 Å²	44.1	30%	0.297	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.2	-177.8	-49.8	-179.9	0	0	0	108.6	G40 E68 H72 T133 V134 T135	G40-I70 WeakPolarHBondContact CA-O 3.26Å; E68-I70 HydrophobicContact CG-CD1 4.29Å; E68-I70 HydrophobicContact CG-CG1 4.24Å; I70-H72 WeakPolarHBondContact CG2-CE1 3.42Å; I70-H72 WeakPolarHBondContact CG2-NE2 3.44Å; I70-T133 HydrophobicContact CG2-CG2 3.46Å; I70-T133 VanDerWaalsContact CG2-CG2 3.46Å; I70-V134 WeakPolarHBondContact CA-O 3.22Å; I70-T135 HydrophobicContact CG1-CG2 4.17Å
71	W	95.9	Very high	93.1	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.023	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.6	175.3	-60.2	-93.8	0	0	0	109.7	F41 V53 K54 C69 F73 T133 V134 F136 F147	F41-W71 AromaticContact CD1-CD1 3.39Å; F41-W71 AromaticContact CD1-NE1 3.61Å; F41-W71 AromaticContact CE1-CD1 3.36Å; F41-W71 AromaticContact CE1-NE1 3.52Å; F41-W71 WeakPolarHBondContact O-CA 3.28Å; V53-W71 HydrophobicContact CG1-CD2 3.55Å; V53-W71 HydrophobicContact CG1-CE3 3.58Å; V53-W71 HydrophobicContact CG1-CG 4.18Å; V53-W71 HydrophobicContact CG1-CH2 3.89Å; V53-W71 HydrophobicContact CG1-CZ2 3.88Å; V53-W71 HydrophobicContact CG1-CZ3 3.75Å; V53-W71 HydrophobicContact CG2-CB 4.47Å; V53-W71 HydrophobicContact CG2-CD2 4.38Å; V53-W71 HydrophobicContact CG2-CG 4.14Å; K54-W71 WeakPolarHBondContact O-CZ2 3.41Å; C69-W71 HydrophobicContact CB-CE3 4.33Å; C69-W71 HydrophobicContact CB-CH2 3.28Å; C69-W71 HydrophobicContact CB-CZ2 3.8Å; C69-W71 HydrophobicContact CB-CZ3 3.59Å; W71-F73 HydrophobicContact CB-CD2 4.26Å; W71-F73 HydrophobicContact CB-CE2 3.49Å; W71-F73 VanDerWaalsContact CB-CE2 3.49Å; W71-F73 HydrophobicContact CB-CZ 3.91Å; W71-F73 HydrophobicContact CG-CE2 4.37Å; W71-T133 CarbonylContact O-C 3.56Å; W71-T133 VanDerWaalsContact O-CA 3.26Å; W71-T133 WeakPolarHBondContact O-CA 3.24Å; W71-V134 HydrophobicContact CB-CB 4.32Å; W71-V134 HydrophobicContact CE3-CB 4.02Å; W71-V134 HydrophobicContact CE3-CG1 4Å; W71-V134 HydrophobicContact CZ3-CG1 4.38Å; W71-V134 PolarHBondContact N-O 2.87Å; W71-V134 PolarHBondContact O-N 2.86Å; W71-F136 HydrophobicContact CH2-CB 4.23Å; W71-F136 HydrophobicContact CZ3-CB 3.88Å; W71-F147 HydrophobicContact CH2-CE2 4.32Å; W71-F147 HydrophobicContact CH2-CZ 4.14Å; W71-F147 HydrophobicContact CZ3-CZ 4.42Å
72	H	96	Very high	93.3	Very high	87 Å²	87	37 Å²	37	40%	0.403	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.2	177.6	-59	-69.4	0	0	0	110.9	F41 D42 G43 I70 T133	F41-H72 PolarHBondContact O-N 2.82Å; D42-H72 CarbonylContact C-O 3.5Å; D42-H72 VanDerWaalsContact CA-O 3.24Å; D42-H72 WeakPolarHBondContact CA-O 3.3Å; D42-H72 WeakPolarHBondContact OD1-CB 3.03Å; D42-H72 IonicContact OD1-CD2 3.55Å; D42-H72 PolarHBondContact OD1-CD2 3.41Å; D42-H72 IonicContact OD1-CG 3.96Å; G43-H72 PolarHBondContact N-O 3.25Å; I70-H72 WeakPolarHBondContact CG2-CE1 3.42Å; I70-H72 WeakPolarHBondContact CG2-NE2 3.44Å; H72-T133 VanDerWaalsContact ND1-CG2 3.33Å; H72-T133 WeakPolarHBondContact ND1-CG2 3.47Å; H72-T133 PolarHBondContact ND1-OG1 2.97Å
73	F	97	Very high	93.2	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.6	179.4	-64.6	-69.3	0	0	0	111.2	F41 G43 L45 V51 V53 W71 N131 F132 V134	F41-F73 HydrophobicContact CD2-CE1 4.29Å; F41-F73 AromaticContact CE2-CE1 3.63Å; F41-F73 HydrophobicContact CE2-CE1 3.63Å; F41-F73 AromaticContact CE2-CZ 3.8Å; F41-F73 HydrophobicContact CE2-CZ 3.8Å; F41-F73 HydrophobicContact CZ-CE1 4.25Å; F41-F73 AromaticContact CZ-CZ 3.99Å; F41-F73 HydrophobicContact CZ-CZ 3.99Å; G43-F73 CarbonylContact O-C 3.51Å; G43-F73 VanDerWaalsContact O-CA 3.3Å; G43-F73 WeakPolarHBondContact O-CA 3.07Å; L45-F73 HydrophobicContact CG-CD1 4.49Å; V51-F73 HydrophobicContact CB-CE1 4.33Å; V51-F73 HydrophobicContact CG1-CD1 4.29Å; V51-F73 HydrophobicContact CG1-CE1 3.8Å; V51-F73 HydrophobicContact CG1-CE2 4.48Å; V51-F73 HydrophobicContact CG1-CZ 3.89Å; V51-F73 HydrophobicContact CG2-CE1 3.77Å; V51-F73 HydrophobicContact CG2-CZ 3.91Å; V53-F73 HydrophobicContact CG2-CE2 3.73Å; V53-F73 HydrophobicContact CG2-CZ 3.86Å; W71-F73 HydrophobicContact CB-CD2 4.26Å; W71-F73 HydrophobicContact CB-CE2 3.49Å; W71-F73 VanDerWaalsContact CB-CE2 3.49Å; W71-F73 HydrophobicContact CB-CZ 3.91Å; W71-F73 HydrophobicContact CG-CE2 4.37Å; F73-N131 CarbonylContact O-C 3.6Å; F73-N131 VanDerWaalsContact O-CA 3.23Å; F73-N131 WeakPolarHBondContact O-CA 3.44Å; F73-F132 HydrophobicContact CB-CD1 3.71Å; F73-F132 HydrophobicContact CB-CD2 4.01Å; F73-F132 HydrophobicContact CB-CE1 3.28Å; F73-F132 HydrophobicContact CB-CE2 3.63Å; F73-F132 HydrophobicContact CB-CG 4.07Å; F73-F132 HydrophobicContact CB-CZ 3.24Å; F73-F132 AromaticContact CD2-CD2 3.91Å; F73-F132 HydrophobicContact CD2-CD2 3.91Å; F73-F132 HydrophobicContact CD2-CE1 4.49Å; F73-F132 AromaticContact CD2-CE2 3.26Å; F73-F132 HydrophobicContact CD2-CE2 3.26Å; F73-F132 AromaticContact CD2-CZ 3.61Å; F73-F132 HydrophobicContact CD2-CZ 3.61Å; F73-F132 HydrophobicContact CE2-CE2 4.16Å; F73-F132 HydrophobicContact CG-CD2 4.4Å; F73-F132 HydrophobicContact CG-CE1 4.12Å; F73-F132 AromaticContact CG-CE2 3.71Å; F73-F132 HydrophobicContact CG-CE2 3.71Å; F73-F132 AromaticContact CG-CZ 3.55Å; F73-F132 HydrophobicContact CG-CZ 3.55Å; F73-F132 PolarHBondContact N-O 2.87Å; F73-F132 PolarHBondContact O-N 3.09Å; F73-V134 HydrophobicContact CE2-CG2 4.48Å
74	K	97.1	Very high	92.9	Very high	90 Å²	90	37.8 Å²	37.8	39%	0.391	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111	167.1	-178	173.6	-175.5	176.1	0	109.1	G43 V44 L45 L76 P129 F130 N131	G43-K74 PolarHBondContact O-N 3.48Å; V44-K74 CarbonylContact C-O 3.43Å; V44-K74 VanDerWaalsContact CA-O 3.29Å; V44-K74 WeakPolarHBondContact CA-O 3.34Å; V44-K74 HydrophobicContact CG2-CB 4.37Å; L45-K74 PolarHBondContact N-O 2.92Å; K74-L76 HydrophobicContact CG-CD2 4.45Å; K74-P129 HydrophobicContact CG-CB 4.42Å; K74-F130 CarbonylContact C-O 3.57Å; K74-N131 WeakPolarHBondContact CG-OD1 3.31Å
75	S	96.5	Very high	92.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.3	173.8	-177	0	0	0	0	110.3	V77 P129 F130	S75-V77 VanDerWaalsContact C-N 3.33Å; S75-V77 WeakPolarHBondContact OG-CG2 3.21Å; S75-V77 PolarHBondContact OG-N 2.81Å; S75-V77 PolarHBondContact OG-O 3.11Å; S75-P129 VanDerWaalsContact O-CA 3.23Å; S75-P129 WeakPolarHBondContact O-CA 3.4Å; S75-F130 PolarHBondContact N-O 3.28Å; S75-F130 PolarHBondContact O-N 2.87Å; S75-F130 VanDerWaalsContact O-N 3.09Å
76	L	97.2	Very high	92.4	Very high	78 Å²	78	42.3 Å²	42.3	41%	0.408	21%	0.211	S	C	.	.	S	Bend	trans	-89.2	-3.8	171.7	-57.2	-172	0	0	0	112.8	V44 L45 K46 K74 P128 P129	V44-L76 HydrophobicContact CG1-CD1 3.94Å; V44-L76 HydrophobicContact CG1-CD2 4.15Å; V44-L76 HydrophobicContact CG1-CG 3.82Å; L45-L76 PolarHBondContact O-N 2.83Å; K46-L76 HydrophobicContact CG-CD1 4.03Å; K74-L76 HydrophobicContact CG-CD2 4.45Å; L76-P128 WeakPolarHBondContact O-CB 3.29Å; L76-P129 HydrophobicContact CD2-CB 3.98Å
77	V	95.5	Very high	92	Very high	17 Å²	17	38.9 Å²	38.9	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	-114.1	167.1	173	-64.9	0	0	0	0	110	A47 S75 F130 A153 Y154	A47-V77 HydrophobicContact CB-CG1 3.73Å; S75-V77 VanDerWaalsContact C-N 3.33Å; S75-V77 WeakPolarHBondContact OG-CG2 3.21Å; S75-V77 PolarHBondContact OG-N 2.81Å; S75-V77 PolarHBondContact OG-O 3.11Å; V77-F130 WeakPolarHBondContact O-CD1 3.26Å; V77-F130 WeakPolarHBondContact O-CE1 3.36Å; V77-A153 HydrophobicContact CG2-CB 3.68Å; V77-Y154 WeakPolarHBondContact CB-O 3.49Å; V77-Y154 WeakPolarHBondContact CG2-O 3.19Å
78	N	92.8	Very high	91.6	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.032	20%	0.199	C	C	.	.	S	Bend	trans	-86.2	-10.8	-169.9	65.6	-18.2	0	0	0	114.9	G125 A126 P128 A156 G157 F159 L186	N78-G125 VanDerWaalsContact O-CA 3.29Å; N78-G125 WeakPolarHBondContact O-CA 3.5Å; N78-A126 WeakPolarHBondContact CA-O 3.17Å; N78-A126 PolarHBondContact O-N 2.75Å; N78-P128 HydrophobicContact CB-CG 4.09Å; N78-A156 PolarHBondContact OD1-N 3.09Å; N78-G157 PolarHBondContact ND2-O 2.84Å; N78-F159 HydrophobicContact CB-CE2 3.86Å; N78-F159 HydrophobicContact CB-CZ 4.12Å; N78-L186 WeakPolarHBondContact O-CD2 3.26Å
79	A	92.6	Very high	91.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.5	-179	0	0	0	0	0	113.1	F124 Y154 A156 L186	A79-F124 CarbonylContact C-O 3.57Å; A79-F124 WeakPolarHBondContact CA-O 3.33Å; A79-Y154 HydrophobicContact CB-CD1 4.23Å; A79-Y154 HydrophobicContact CB-CD2 4.45Å; A79-Y154 HydrophobicContact CB-CE1 3.7Å; A79-Y154 HydrophobicContact CB-CE2 3.98Å; A79-Y154 PolarHBondContact N-O 2.7Å; A79-Y154 PolarHBondContact O-N 3.29Å; A79-Y154 VanDerWaalsContact O-O 3.05Å; A79-A156 HydrophobicContact CB-CB 3.58Å; A79-L186 HydrophobicContact CB-CD2 4.24Å
80	V	92.8	Very high	90.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.1	174.9	178.2	0	0	0	0	108.2	T123 F124 F130 F132 F151 R152 A153	V80-T123 WeakPolarHBondContact O-CA 3.23Å; V80-F124 HydrophobicContact CB-CD2 4.43Å; V80-F124 HydrophobicContact CB-CE1 3.97Å; V80-F124 HydrophobicContact CB-CE2 3.9Å; V80-F124 HydrophobicContact CB-CZ 3.66Å; V80-F124 HydrophobicContact CG1-CE1 3.81Å; V80-F124 HydrophobicContact CG1-CE2 4.3Å; V80-F124 HydrophobicContact CG1-CZ 3.57Å; V80-F124 HydrophobicContact CG2-CE2 4.41Å; V80-F124 HydrophobicContact CG2-CZ 4.46Å; V80-F124 PolarHBondContact N-O 3.28Å; V80-F124 PolarHBondContact O-N 3.2Å; V80-F130 HydrophobicContact CG2-CZ 3.9Å; V80-F132 HydrophobicContact CG1-CZ 4.27Å; V80-F132 HydrophobicContact CG2-CE1 3.89Å; V80-F132 HydrophobicContact CG2-CZ 4.36Å; V80-F151 HydrophobicContact CG1-CB 3.86Å; V80-F151 HydrophobicContact CG1-CD1 3.85Å; V80-F151 HydrophobicContact CG1-CG 4.37Å; V80-R152 CarbonylContact C-O 3.55Å; V80-R152 WeakPolarHBondContact CA-O 3.5Å; V80-A153 HydrophobicContact CG2-CB 4.42Å
81	E	90.5	Very high	89.8	Confident	44 Å²	44	36.5 Å²	36.5	21%	0.206	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.7	174.1	179	-179.6	-93.6	0	0	108.7	L121 T123 F151 R152 Y154	E81-L121 HydrophobicContact CG-CD1 4.19Å; E81-L121 HydrophobicContact CG-CD2 3.94Å; E81-L121 HydrophobicContact CG-CG 3.92Å; E81-T123 HydrophobicContact CB-CG2 4.28Å; E81-T123 HydrophobicContact CG-CG2 4.38Å; E81-F151 CarbonylContact O-C 3.55Å; E81-F151 WeakPolarHBondContact O-CA 3.49Å; E81-R152 HydrophobicContact CB-CB 4.37Å; E81-R152 PolarHBondContact N-O 2.84Å; E81-R152 PolarHBondContact O-N 2.81Å; E81-Y154 HydrophobicContact CB-CD1 4.19Å; E81-Y154 HydrophobicContact CB-CE1 3.8Å
82	L	88.8	Confident	88.7	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.5	170.4	166.8	61.4	0	0	0	108.9	T84 I112 L121 T122 F124 L149 F151	L82-T84 HydrophobicContact CD1-CG2 4.48Å; L82-I112 HydrophobicContact CD2-CD1 3.94Å; L82-I112 HydrophobicContact CD2-CG1 4.45Å; L82-I112 HydrophobicContact CD2-CG2 4.33Å; L82-L121 WeakPolarHBondContact O-CA 3.18Å; L82-T122 PolarHBondContact N-O 2.94Å; L82-T122 PolarHBondContact O-N 2.86Å; L82-T122 VanDerWaalsContact O-N 3.14Å; L82-F124 HydrophobicContact CB-CE1 4.28Å; L82-L149 HydrophobicContact CD1-CB 3.97Å; L82-L149 HydrophobicContact CD1-CD2 4.32Å; L82-F151 HydrophobicContact CB-CD1 4.31Å; L82-F151 HydrophobicContact CB-CE1 4.16Å; L82-F151 HydrophobicContact CD1-CD1 4.29Å; L82-F151 HydrophobicContact CD1-CE1 3.83Å; L82-F151 HydrophobicContact CD1-CE2 4.06Å; L82-F151 HydrophobicContact CD1-CZ 3.7Å; L82-F151 HydrophobicContact CD2-CE1 4.42Å; L82-F151 HydrophobicContact CG-CE1 4.36Å
83	S	87.2	Confident	87.3	Confident	38 Å²	38	44.9 Å²	44.9	27%	0.266	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.4	170.1	58	0	0	0	0	110.2	S150	S83-S150 PolarHBondContact N-O 3.14Å; S83-S150 PolarHBondContact O-N 3.32Å; S83-S150 WeakPolarHBondContact OG-CB 3.4Å; S83-S150 PolarHBondContact OG-O 2.81Å
84	T	85.4	Confident	85.8	Confident	29 Å²	29	50 Å²	50	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.1	-166.7	41.7	0	0	0	0	109.1	L82 I118 P119 L149	L82-T84 HydrophobicContact CD1-CG2 4.48Å; T84-I118 WeakPolarHBondContact OG1-CG2 3.23Å; T84-P119 HydrophobicContact CG2-CB 3.77Å; T84-P119 VanDerWaalsContact CG2-CD 3.42Å; T84-P119 HydrophobicContact CG2-CG 3.47Å; T84-P119 VanDerWaalsContact CG2-CG 3.47Å; T84-P119 PolarHBondContact OG1-O 2.89Å; T84-L149 HydrophobicContact CG2-CD2 3.35Å
85	E	83.3	Confident	84.5	Confident	138 Å²	138	51.7 Å²	51.7	65%	0.645	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	-38.4	178.6	-171.4	-179.9	173.3	0	0	110.7	N148	E85-N148 HydrophobicContact CB-CB 4.39Å; E85-N148 PolarHBondContact N-O 2.99Å; E85-N148 PolarHBondContact OE2-ND2 2.88Å
86	F	84.8	Confident	83.6	Confident	69 Å²	69	56.3 Å²	56.3	30%	0.303	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	140.8	178	-177.8	-94.8	0	0	0	110.3	Y58 N88 M145 G146 F147 N148	Y58-F86 HydrophobicContact CD2-CD1 4.16Å; Y58-F86 HydrophobicContact CD2-CE1 4.49Å; Y58-F86 HydrophobicContact CE2-CB 4.17Å; Y58-F86 AromaticContact CE2-CD1 3.42Å; Y58-F86 HydrophobicContact CE2-CD1 3.42Å; Y58-F86 VanDerWaalsContact CE2-CD1 3.42Å; Y58-F86 AromaticContact CE2-CE1 3.98Å; Y58-F86 HydrophobicContact CE2-CE1 3.98Å; Y58-F86 AromaticContact CE2-CG 3.9Å; Y58-F86 HydrophobicContact CE2-CG 3.9Å; Y58-F86 WeakPolarHBondContact OH-CB 3.06Å; F86-N88 HydrophobicContact CE1-CB 3.63Å; F86-N88 HydrophobicContact CZ-CB 3.61Å; F86-M145 HydrophobicContact CE1-CB 3.72Å; F86-M145 HydrophobicContact CE1-CG 3.71Å; F86-M145 HydrophobicContact CZ-CB 3.78Å; F86-M145 HydrophobicContact CZ-CG 3.8Å; F86-G146 WeakPolarHBondContact CD1-O 3.38Å; F86-G146 VanDerWaalsContact CE1-O 3.23Å; F86-G146 WeakPolarHBondContact CE1-O 3.44Å; F86-F147 CarbonylContact O-C 3.57Å; F86-F147 VanDerWaalsContact O-CA 3.26Å; F86-F147 WeakPolarHBondContact O-CA 3.49Å; F86-F147 WeakPolarHBondContact O-CB 3.45Å; F86-N148 HydrophobicContact CB-CB 4.39Å; F86-N148 PolarHBondContact N-O 2.8Å; F86-N148 PolarHBondContact O-N 3.46Å
87	F	84.3	Confident	82.9	Confident	35 Å²	35	54.2 Å²	54.2	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	117.4	177.8	-165.4	-90.8	0	0	0	110.6	V89 L101 P114 G146 F147 L149	F87-V89 HydrophobicContact CE1-CB 4.28Å; F87-V89 HydrophobicContact CE1-CG2 4.32Å; F87-V89 HydrophobicContact CE2-CG2 4.3Å; F87-V89 HydrophobicContact CZ-CB 4.31Å; F87-V89 HydrophobicContact CZ-CG2 4.05Å; F87-L101 HydrophobicContact CE2-CD2 3.87Å; F87-P114 WeakPolarHBondContact CE1-O 3.03Å; F87-G146 CarbonylContact C-O 3.39Å; F87-F147 HydrophobicContact CD2-CB 3.79Å; F87-F147 HydrophobicContact CE2-CB 4.35Å; F87-L149 HydrophobicContact CD2-CD2 4.29Å
88	N	83.3	Confident	82.4	Confident	47 Å²	47	55.3 Å²	55.3	25%	0.251	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	86.6	179.4	-170.7	11.5	0	0	0	109.5	F86 W144 G146	F86-N88 HydrophobicContact CE1-CB 3.63Å; F86-N88 HydrophobicContact CZ-CB 3.61Å; N88-W144 WeakPolarHBondContact O-CB 3.42Å; N88-G146 CarbonylContact C-O 3.24Å; N88-G146 WeakPolarHBondContact CA-O 3.05Å; N88-G146 PolarHBondContact N-O 2.98Å; N88-G146 VanDerWaalsContact O-CA 3.27Å; N88-G146 WeakPolarHBondContact O-CA 3.34Å; N88-G146 PolarHBondContact O-N 2.84Å
89	V	84.5	Confident	82.2	Confident	6 Å²	6	55 Å²	55	4%	0.036	28%	0.283	C	S	.	.			trans	-118.6	151.9	-178.8	176	0	0	0	0	108.6	F87 H91 D99 F136 F147	F87-V89 HydrophobicContact CE1-CB 4.28Å; F87-V89 HydrophobicContact CE1-CG2 4.32Å; F87-V89 HydrophobicContact CE2-CG2 4.3Å; F87-V89 HydrophobicContact CZ-CB 4.31Å; F87-V89 HydrophobicContact CZ-CG2 4.05Å; V89-H91 PolarHBondContact O-N 2.78Å; V89-H91 PolarHBondContact O-ND1 3.39Å; V89-D99 HydrophobicContact CG1-CB 3.44Å; V89-D99 VanDerWaalsContact CG1-CB 3.44Å; V89-F136 HydrophobicContact CG1-CE2 3.99Å; V89-F136 HydrophobicContact CG2-CE2 4.31Å; V89-F147 HydrophobicContact CG2-CD1 3.71Å; V89-F147 HydrophobicContact CG2-CE1 4.37Å
90	E	82.4	Confident	81.9	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.009	31%	0.308	C	S	.	.			trans	-54.1	131.2	-177.6	-168.3	-169.5	-172.7	0	0	113	Y63 Y92 P98 D99 I142 W144	Y63-E90 PolarHBondContact OH-N 3.12Å; Y63-E90 VanDerWaalsContact OH-N 3.12Å; E90-Y92 HydrophobicContact CG-CE2 4.32Å; E90-Y92 WeakPolarHBondContact OE1-CE2 3.28Å; E90-Y92 VanDerWaalsContact OE1-CZ 3.28Å; E90-Y92 PolarHBondContact OE1-OH 2.9Å; E90-P98 HydrophobicContact CG-CG 4.15Å; E90-P98 WeakPolarHBondContact OE2-CB 3.36Å; E90-P98 WeakPolarHBondContact OE2-CG 3.45Å; E90-D99 HydrophobicContact CB-CB 4.1Å; E90-D99 WeakPolarHBondContact CB-OD2 3.07Å; E90-I142 HydrophobicContact CG-CB 3.98Å; E90-I142 HydrophobicContact CG-CG2 4.42Å; E90-I142 WeakPolarHBondContact OE1-CB 3.39Å; E90-W144 VanDerWaalsContact CA-CD1 3.48Å
91	H	78.6	Confident	81.7	Confident	69 Å²	69	61.3 Å²	61.3	32%	0.319	31%	0.311	S	S	.	.			trans	-153.2	151.8	179.3	59.7	-91.7	0	0	0	113.4	V89 I96 C115 F116	V89-H91 PolarHBondContact O-N 2.78Å; V89-H91 PolarHBondContact O-ND1 3.39Å; H91-I96 CarbonylContact C-O 3.57Å; H91-I96 VanDerWaalsContact CA-O 3.3Å; H91-I96 WeakPolarHBondContact CA-O 3.39Å; H91-C115 HydrophobicContact CB-CB 3.78Å; H91-C115 WeakPolarHBondContact CB-O 3.1Å; H91-C115 PolarHBondContact ND1-O 2.87Å; H91-C115 VanDerWaalsContact ND1-O 3.13Å; H91-F116 HydrophobicContact CB-CE2 4.25Å; H91-F116 HydrophobicContact CB-CZ 4.18Å; H91-F116 AromaticContact CD2-CD1 3.49Å; H91-F116 VanDerWaalsContact CD2-CD1 3.49Å; H91-F116 WeakPolarHBondContact CD2-CD1 3.35Å; H91-F116 AromaticContact CD2-CE1 3.12Å; H91-F116 WeakPolarHBondContact CD2-CE1 3.42Å; H91-F116 AromaticContact CD2-CZ 3.53Å; H91-F116 AromaticContact NE2-CD1 3.85Å; H91-F116 AromaticContact NE2-CE1 3.78Å
92	Y	72.7	Confident	81.5	Confident	103 Å²	103	60.3 Å²	60.3	40%	0.404	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-132.4	146.5	172.5	-53.5	-81.2	0	0	0	112.1	E90 N95 I96 P98 F116 I142	E90-Y92 HydrophobicContact CG-CE2 4.32Å; E90-Y92 WeakPolarHBondContact OE1-CE2 3.28Å; E90-Y92 VanDerWaalsContact OE1-CZ 3.28Å; E90-Y92 PolarHBondContact OE1-OH 2.9Å; Y92-N95 PolarHBondContact O-N 3.41Å; Y92-I96 HydrophobicContact CD2-CG2 4.23Å; Y92-I96 PolarHBondContact N-O 2.99Å; Y92-I96 PolarHBondContact O-N 3.32Å; Y92-P98 HydrophobicContact CD2-CG 3.9Å; Y92-P98 HydrophobicContact CE2-CG 3.54Å; Y92-F116 VanDerWaalsContact C-CZ 3.43Å; Y92-F116 VanDerWaalsContact O-CZ 3.32Å; Y92-F116 WeakPolarHBondContact O-CZ 3.44Å; Y92-I142 WeakPolarHBondContact OH-CD1 3.35Å
93	E	67.1	Low	81.6	Confident	167 Å²	167	60.7 Å²	60.7	78%	0.78	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	142	179.9	-74.4	-175.4	178.9	0	0	111.8	F116	E93-F116 HydrophobicContact CB-CZ 4.35Å; E93-F116 HydrophobicContact CG-CE1 3.72Å; E93-F116 HydrophobicContact CG-CZ 3.76Å
94	P	64.6	Low	81.6	Confident	112 Å²	112	62 Å²	62	73%	0.727	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93	122.1	-16	32.2	-24.9	0	0	0	111	I96	P94-I96 PolarHBondContact O-N 3.39Å
95	N	69.8	Low	81.8	Confident	125 Å²	125	61 Å²	61	67%	0.668	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	32.6	171	-59.3	-23.5	0	0	0	117.4	Y92	Y92-N95 PolarHBondContact O-N 3.41Å
96	I	78.2	Confident	82	Confident	96 Å²	96	57.7 Å²	57.7	49%	0.492	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-93.2	115.9	168.6	-58.7	173.6	0	0	0	108.4	H91 Y92 P94	H91-I96 CarbonylContact C-O 3.57Å; H91-I96 VanDerWaalsContact CA-O 3.3Å; H91-I96 WeakPolarHBondContact CA-O 3.39Å; Y92-I96 HydrophobicContact CD2-CG2 4.23Å; Y92-I96 PolarHBondContact N-O 2.99Å; Y92-I96 PolarHBondContact O-N 3.32Å; P94-I96 PolarHBondContact O-N 3.39Å
97	C	81	Confident	81.8	Confident	34 Å²	34	61.3 Å²	61.3	23%	0.23	31%	0.314	C	S	.	.			trans	-111.2	98.8	171.6	-82.5	0	0	0	0	109	D99 K100 C115	C97-D99 WeakPolarHBondContact CB-O 3.3Å; C97-K100 HydrophobicContact CB-CG 4.43Å; C97-K100 VanDerWaalsContact O-CE 3.22Å; C97-K100 WeakPolarHBondContact O-CE 3.35Å; C97-C115 HydrophobicContact CB-CB 4.25Å; C97-C115 WeakPolarHBondContact CB-SG 3.35Å; C97-C115 WeakPolarHBondContact SG-CA 3.03Å; C97-C115 WeakPolarHBondContact SG-CB 3.42Å; C97-C115 CovalentContact SG-SG 2Å; C97-C115 PolarHBondContact SG-SG 2.84Å
98	P	86.1	Confident	81.4	Confident	40 Å²	40	65 Å²	65	26%	0.26	34%	0.335	S	S	.	.	S	Bend	trans	-63.5	-47.7	170.1	-14.5	28.6	0	0	0	110.2	E90 Y92	E90-P98 HydrophobicContact CG-CG 4.15Å; E90-P98 WeakPolarHBondContact OE2-CB 3.36Å; E90-P98 WeakPolarHBondContact OE2-CG 3.45Å; Y92-P98 HydrophobicContact CD2-CG 3.9Å; Y92-P98 HydrophobicContact CE2-CG 3.54Å
99	D	88.4	Confident	80.3	Confident	1 Å²	1	69 Å²	69	1%	0.005	35%	0.353	C	S	.	.	S	Bend	trans	-82.6	130.8	171.7	-66.1	-14.9	0	0	0	111.1	Y63 V89 E90 C97 F136 R137 S138 D139	Y63-D99 WeakPolarHBondContact CE2-OD2 3.39Å; Y63-D99 PolarHBondContact OH-OD2 2.95Å; V89-D99 HydrophobicContact CG1-CB 3.44Å; V89-D99 VanDerWaalsContact CG1-CB 3.44Å; E90-D99 HydrophobicContact CB-CB 4.1Å; E90-D99 WeakPolarHBondContact CB-OD2 3.07Å; C97-D99 WeakPolarHBondContact CB-O 3.3Å; D99-F136 HydrophobicContact CB-CE2 4.32Å; D99-R137 CarbonylContact C-O 3.55Å; D99-R137 WeakPolarHBondContact CA-O 3.19Å; D99-S138 WeakPolarHBondContact OD1-CA 3.3Å; D99-S138 WeakPolarHBondContact OD1-CB 3.34Å; D99-D139 PolarHBondContact OD1-N 2.88Å
100	K	87	Confident	79.4	Confident	123 Å²	123	73.8 Å²	73.8	54%	0.535	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.2	-168.6	-64.9	-176.8	-175.9	-178.7	0	112.6	C97 F136 R137	C97-K100 HydrophobicContact CB-CG 4.43Å; C97-K100 VanDerWaalsContact O-CE 3.22Å; C97-K100 WeakPolarHBondContact O-CE 3.35Å; K100-F136 WeakPolarHBondContact O-CA 3.11Å; K100-F136 WeakPolarHBondContact O-CD2 3.18Å; K100-R137 PolarHBondContact N-O 3.43Å; K100-R137 PolarHBondContact O-N 3.22Å
101	L	88.2	Confident	78	Confident	9 Å²	9	77.5 Å²	77.5	5%	0.047	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.9	167.4	-176.3	76.5	0	0	0	109.3	F87 I112 V134 T135 F136 F147 L149	F87-L101 HydrophobicContact CE2-CD2 3.87Å; L101-I112 HydrophobicContact CD2-CB 4.34Å; L101-I112 HydrophobicContact CD2-CD1 3.91Å; L101-I112 HydrophobicContact CD2-CG2 4.36Å; L101-I112 HydrophobicContact CG-CD1 4.19Å; L101-V134 HydrophobicContact CD1-CG1 3.7Å; L101-V134 HydrophobicContact CG-CG1 4.5Å; L101-T135 CarbonylContact C-O 3.55Å; L101-T135 WeakPolarHBondContact CA-O 3.37Å; L101-F136 HydrophobicContact CD1-CB 4.05Å; L101-F147 HydrophobicContact CD1-CE1 4.16Å; L101-F147 HydrophobicContact CD1-CE2 4.27Å; L101-F147 HydrophobicContact CD1-CZ 3.83Å; L101-L149 HydrophobicContact CD1-CD1 4.38Å; L101-L149 HydrophobicContact CD2-CD1 3.47Å; L101-L149 VanDerWaalsContact CD2-CD1 3.47Å
102	T	86.9	Confident	76.9	Confident	22 Å²	22	75.1 Å²	75.1	14%	0.135	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.3	179.5	65.4	0	0	0	0	111.5	V111 V134 T135	T102-V111 HydrophobicContact CG2-CG1 4.47Å; T102-V134 WeakPolarHBondContact O-CA 3.12Å; T102-T135 PolarHBondContact N-O 2.77Å; T102-T135 PolarHBondContact O-N 3.01Å; T102-T135 WeakPolarHBondContact OG1-CB 3.49Å
103	L	89	Confident	76	Confident	9 Å²	9	77.6 Å²	77.6	5%	0.047	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	103.4	174.5	174.1	68.2	0	0	0	109.6	V105 H110 I112 F124 F132 T133 V134 F151	L103-V105 HydrophobicContact CG-CG2 4.28Å; L103-H110 CarbonylContact C-O 3.5Å; L103-H110 VanDerWaalsContact C-O 3.24Å; L103-H110 WeakPolarHBondContact CA-O 3.21Å; L103-H110 PolarHBondContact N-O 3.07Å; L103-H110 CarbonylContact O-C 3.39Å; L103-H110 WeakPolarHBondContact O-CA 2.86Å; L103-H110 VanDerWaalsContact O-CB 3.28Å; L103-H110 WeakPolarHBondContact O-CB 3.19Å; L103-H110 PolarHBondContact O-N 3.26Å; L103-I112 HydrophobicContact CB-CD1 3.51Å; L103-I112 HydrophobicContact CB-CG1 3.34Å; L103-I112 HydrophobicContact CD2-CD1 4.33Å; L103-I112 HydrophobicContact CD2-CG1 4.27Å; L103-I112 HydrophobicContact CG-CD1 4.43Å; L103-I112 HydrophobicContact CG-CG1 4.44Å; L103-F124 HydrophobicContact CD1-CE1 4.32Å; L103-F124 HydrophobicContact CD1-CE2 4.1Å; L103-F124 HydrophobicContact CD1-CZ 3.81Å; L103-F124 HydrophobicContact CD2-CD1 3.6Å; L103-F124 HydrophobicContact CD2-CD2 4.24Å; L103-F124 HydrophobicContact CD2-CE1 3.52Å; L103-F124 HydrophobicContact CD2-CE2 4.16Å; L103-F124 HydrophobicContact CD2-CG 3.96Å; L103-F124 HydrophobicContact CD2-CZ 3.8Å; L103-F124 HydrophobicContact CG-CZ 4.38Å; L103-F132 HydrophobicContact CD1-CB 4.28Å; L103-F132 HydrophobicContact CD1-CD2 3.75Å; L103-F132 HydrophobicContact CD1-CG 4.43Å; L103-T133 WeakPolarHBondContact CA-O 3.4Å; L103-V134 HydrophobicContact CD1-CG2 3.98Å; L103-F151 HydrophobicContact CD1-CE1 4.22Å
104	Q	88.7	Confident	75.3	Confident	66 Å²	66	71 Å²	71	31%	0.308	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.5	174.6	-172.2	178.5	-24.8	0	0	109.6	N106 F132 T133	Q104-N106 PolarHBondContact NE2-O 2Å; Q104-F132 CarbonylContact O-C 3.58Å; Q104-F132 WeakPolarHBondContact O-CA 3.36Å; Q104-F132 WeakPolarHBondContact O-CB 3.28Å; Q104-T133 PolarHBondContact N-O 2.75Å; Q104-T133 PolarHBondContact O-N 3.44Å
105	V	88.7	Confident	75.2	Confident	9 Å²	9	66.2 Å²	66.2	6%	0.055	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.1	173.7	-174.7	0	0	0	0	107.8	L103 N107 D108 F124 A126 F130 F132	L103-V105 HydrophobicContact CG-CG2 4.28Å; V105-N107 PolarHBondContact O-N 2.91Å; V105-D108 PolarHBondContact N-O 2.95Å; V105-D108 PolarHBondContact O-N 2.83Å; V105-F124 HydrophobicContact CG1-CD2 4.48Å; V105-F124 HydrophobicContact CG2-CB 4.47Å; V105-F124 HydrophobicContact CG2-CD2 3.43Å; V105-F124 VanDerWaalsContact CG2-CD2 3.43Å; V105-F124 HydrophobicContact CG2-CE2 3.94Å; V105-F124 HydrophobicContact CG2-CG 4.2Å; V105-A126 HydrophobicContact CG1-CB 4.48Å; V105-F130 HydrophobicContact CG1-CD2 3.91Å; V105-F130 HydrophobicContact CG1-CE2 4.07Å; V105-F132 HydrophobicContact CG2-CB 4.3Å
106	N	88	Confident	74.5	Confident	67 Å²	67	64 Å²	64	36%	0.358	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	-108	-166.5	-57.6	-46.7	0	0	0	111.3	Q104 A126 N131	Q104-N106 PolarHBondContact NE2-O 2Å; N106-A126 VanDerWaalsContact ND2-CB 3.35Å; N106-A126 WeakPolarHBondContact ND2-CB 3.32Å; N106-N131 PolarHBondContact N-O 3.13Å; N106-N131 PolarHBondContact OD1-N 3.28Å; N106-N131 VanDerWaalsContact OD1-N 3.11Å; N106-N131 PolarHBondContact OD1-O 3.21Å
107	N	80	Confident	73.5	Confident	146 Å²	146	65.1 Å²	65.1	78%	0.781	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-1.7	179.1	-65.3	-18.1	0	0	0	112.9	V105	V105-N107 PolarHBondContact O-N 2.91Å
108	D	76.3	Confident	72.4	Confident	111 Å²	111	68.6 Å²	68.6	59%	0.594	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.6	178.1	-62.9	-42.3	0	0	0	108.2	V105 H110	V105-D108 PolarHBondContact N-O 2.95Å; V105-D108 PolarHBondContact O-N 2.83Å; D108-H110 PolarHBondContact O-N 3.47Å
109	E	60.6	Low	71.2	Confident	131 Å²	131	67.1 Å²	67.1	61%	0.612	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	112.6	177.6	-165.4	176	-169.4	0	0	109.2
110	H	65.2	Low	70	Confident	107 Å²	107	73.8 Å²	73.8	50%	0.495	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.9	166.5	-62.4	-78.8	0	0	0	108.1	L103 D108 I112	L103-H110 CarbonylContact C-O 3.5Å; L103-H110 VanDerWaalsContact C-O 3.24Å; L103-H110 WeakPolarHBondContact CA-O 3.21Å; L103-H110 PolarHBondContact N-O 3.07Å; L103-H110 CarbonylContact O-C 3.39Å; L103-H110 WeakPolarHBondContact O-CA 2.86Å; L103-H110 VanDerWaalsContact O-CB 3.28Å; L103-H110 WeakPolarHBondContact O-CB 3.19Å; L103-H110 PolarHBondContact O-N 3.26Å; D108-H110 PolarHBondContact O-N 3.47Å; H110-I112 PolarHBondContact O-N 2.79Å
111	V	52.4	Low	68.7	Low	81 Å²	81	72.8 Å²	72.8	49%	0.491	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125.9	169	-167.9	0	0	0	0	107	T102 E113	T102-V111 HydrophobicContact CG2-CG1 4.47Å; V111-E113 HydrophobicContact CB-CG 4.04Å; V111-E113 HydrophobicContact CG1-CG 3.6Å; V111-E113 PolarHBondContact O-N 2.96Å
112	I	56.6	Low	68	Low	19 Å²	19	75 Å²	75	10%	0.097	38%	0.378	C	S	.	.			trans	-74.6	76.6	162.2	-55.1	173.5	0	0	0	105.3	L82 L101 L103 H110 P119	L82-I112 HydrophobicContact CD2-CD1 3.94Å; L82-I112 HydrophobicContact CD2-CG1 4.45Å; L82-I112 HydrophobicContact CD2-CG2 4.33Å; L101-I112 HydrophobicContact CD2-CB 4.34Å; L101-I112 HydrophobicContact CD2-CD1 3.91Å; L101-I112 HydrophobicContact CD2-CG2 4.36Å; L101-I112 HydrophobicContact CG-CD1 4.19Å; L103-I112 HydrophobicContact CB-CD1 3.51Å; L103-I112 HydrophobicContact CB-CG1 3.34Å; L103-I112 HydrophobicContact CD2-CD1 4.33Å; L103-I112 HydrophobicContact CD2-CG1 4.27Å; L103-I112 HydrophobicContact CG-CD1 4.43Å; L103-I112 HydrophobicContact CG-CG1 4.44Å; H110-I112 PolarHBondContact O-N 2.79Å; I112-P119 HydrophobicContact CG2-CB 4.15Å; I112-P119 HydrophobicContact CG2-CG 3.86Å
113	E	53.3	Low	67.7	Low	155 Å²	155	75.2 Å²	75.2	72%	0.724	38%	0.38	S	S	*	.			trans	-74.8	117.4	164.9	-77.3	177.2	174.9	0	0	106.1	V111	V111-E113 HydrophobicContact CB-CG 4.04Å; V111-E113 HydrophobicContact CG1-CG 3.6Å; V111-E113 PolarHBondContact O-N 2.96Å
114	P	53.3	Low	67.5	Low	28 Å²	28	76 Å²	76	18%	0.182	38%	0.383	C	S	.	.				-139.5	141.5	78.5	11.7	14.5	0	0	0	114.8	F87 F116 E117	F87-P114 WeakPolarHBondContact CE1-O 3.03Å; P114-F116 PolarHBondContact O-N 2.89Å; P114-E117 HydrophobicContact CB-CB 3.86Å; P114-E117 WeakPolarHBondContact CD-O 3.33Å; P114-E117 HydrophobicContact CG-CB 3.73Å; P114-E117 WeakPolarHBondContact CG-O 3.29Å
115	C	62.4	Low	67.5	Low	12 Å²	12	73.6 Å²	73.6	8%	0.081	38%	0.377	C	S	.	.	S	Bend	trans	-62.2	-17.3	166.5	-54.7	0	0	0	0	113.1	H91 C97	H91-C115 HydrophobicContact CB-CB 3.78Å; H91-C115 WeakPolarHBondContact CB-O 3.1Å; H91-C115 PolarHBondContact ND1-O 2.87Å; H91-C115 VanDerWaalsContact ND1-O 3.13Å; C97-C115 HydrophobicContact CB-CB 4.25Å; C97-C115 WeakPolarHBondContact CB-SG 3.35Å; C97-C115 WeakPolarHBondContact SG-CA 3.03Å; C97-C115 WeakPolarHBondContact SG-CB 3.42Å; C97-C115 CovalentContact SG-SG 2Å; C97-C115 PolarHBondContact SG-SG 2.84Å
116	F	55	Low	67.6	Low	78 Å²	78	74 Å²	74	34%	0.342	38%	0.38	S	S	.	.	S	Bend	trans	-130.1	-22.1	-166.4	-73.9	-85.5	0	0	0	115.3	H91 Y92 E93 P114	H91-F116 HydrophobicContact CB-CE2 4.25Å; H91-F116 HydrophobicContact CB-CZ 4.18Å; H91-F116 AromaticContact CD2-CD1 3.49Å; H91-F116 VanDerWaalsContact CD2-CD1 3.49Å; H91-F116 WeakPolarHBondContact CD2-CD1 3.35Å; H91-F116 AromaticContact CD2-CE1 3.12Å; H91-F116 WeakPolarHBondContact CD2-CE1 3.42Å; H91-F116 AromaticContact CD2-CZ 3.53Å; H91-F116 AromaticContact NE2-CD1 3.85Å; H91-F116 AromaticContact NE2-CE1 3.78Å; Y92-F116 VanDerWaalsContact C-CZ 3.43Å; Y92-F116 VanDerWaalsContact O-CZ 3.32Å; Y92-F116 WeakPolarHBondContact O-CZ 3.44Å; E93-F116 HydrophobicContact CB-CZ 4.35Å; E93-F116 HydrophobicContact CG-CE1 3.72Å; E93-F116 HydrophobicContact CG-CZ 3.76Å; P114-F116 PolarHBondContact O-N 2.89Å
117	E	56.8	Low	67.7	Low	120 Å²	120	76.8 Å²	76.8	56%	0.561	39%	0.391	S	S	*	.	S	Bend	trans	-116.8	145.4	-171.6	-74.3	-170.8	173.1	0	0	109.9	P114 P119	P114-E117 HydrophobicContact CB-CB 3.86Å; P114-E117 WeakPolarHBondContact CD-O 3.33Å; P114-E117 HydrophobicContact CG-CB 3.73Å; P114-E117 WeakPolarHBondContact CG-O 3.29Å; E117-P119 WeakPolarHBondContact O-CD 3.46Å
118	I	57.8	Low	68.2	Low	107 Å²	107	72.8 Å²	72.8	55%	0.549	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-57.3	121.3	162.7	-64.6	171.5	0	0	0	106.1	T84 K120	T84-I118 WeakPolarHBondContact OG1-CG2 3.23Å; I118-K120 PolarHBondContact O-N 2.88Å
119	P	61.3	Low	69	Low	8 Å²	8	71.3 Å²	71.3	5%	0.052	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-52.9	118.3	175.8	-18.1	21.9	0	0	0	108.5	T84 I112 E117	T84-P119 HydrophobicContact CG2-CB 3.77Å; T84-P119 VanDerWaalsContact CG2-CD 3.42Å; T84-P119 HydrophobicContact CG2-CG 3.47Å; T84-P119 VanDerWaalsContact CG2-CG 3.47Å; T84-P119 PolarHBondContact OG1-O 2.89Å; I112-P119 HydrophobicContact CG2-CB 4.15Å; I112-P119 HydrophobicContact CG2-CG 3.86Å; E117-P119 WeakPolarHBondContact O-CD 3.46Å
120	K	62.2	Low	70.6	Confident	142 Å²	142	65.1 Å²	65.1	62%	0.617	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-56.3	153.9	173.4	-71.3	-179.3	-176	170.6	0	108.1	I118 T122	I118-K120 PolarHBondContact O-N 2.88Å; K120-T122 WeakPolarHBondContact O-CG2 3.23Å; K120-T122 PolarHBondContact O-N 2.8Å; K120-T122 PolarHBondContact O-OG1 2.77Å
121	L	59.9	Low	72	Confident	101 Å²	101	64.2 Å²	64.2	53%	0.529	34%	0.339	S	S	.	.			trans	-50	114.1	176.8	-164.9	127	0	0	0	109	E81 L82	E81-L121 HydrophobicContact CG-CD1 4.19Å; E81-L121 HydrophobicContact CG-CD2 3.94Å; E81-L121 HydrophobicContact CG-CG 3.92Å; L82-L121 WeakPolarHBondContact O-CA 3.18Å
122	T	73.6	Confident	74	Confident	55 Å²	55	60.4 Å²	60.4	34%	0.337	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.1	-173.2	44.3	0	0	0	0	109.3	L82 K120	L82-T122 PolarHBondContact N-O 2.94Å; L82-T122 PolarHBondContact O-N 2.86Å; L82-T122 VanDerWaalsContact O-N 3.14Å; K120-T122 WeakPolarHBondContact O-CG2 3.23Å; K120-T122 PolarHBondContact O-N 2.8Å; K120-T122 PolarHBondContact O-OG1 2.77Å
123	T	80.4	Confident	75.8	Confident	27 Å²	27	60.6 Å²	60.6	17%	0.166	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.4	178.1	59.6	0	0	0	0	109.4	V80 E81 Y154	V80-T123 WeakPolarHBondContact O-CA 3.23Å; E81-T123 HydrophobicContact CB-CG2 4.28Å; E81-T123 HydrophobicContact CG-CG2 4.38Å; T123-Y154 WeakPolarHBondContact CB-OH 2.89Å; T123-Y154 HydrophobicContact CG2-CE1 4.36Å; T123-Y154 VanDerWaalsContact CG2-OH 3.22Å; T123-Y154 WeakPolarHBondContact CG2-OH 3.34Å
124	F	86	Confident	77.7	Confident	25 Å²	25	53.2 Å²	53.2	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	165.9	176.1	66.1	-88.1	0	0	0	110.3	A79 V80 L82 L103 V105 F130 F132 F151	A79-F124 CarbonylContact C-O 3.57Å; A79-F124 WeakPolarHBondContact CA-O 3.33Å; V80-F124 HydrophobicContact CB-CD2 4.43Å; V80-F124 HydrophobicContact CB-CE1 3.97Å; V80-F124 HydrophobicContact CB-CE2 3.9Å; V80-F124 HydrophobicContact CB-CZ 3.66Å; V80-F124 HydrophobicContact CG1-CE1 3.81Å; V80-F124 HydrophobicContact CG1-CE2 4.3Å; V80-F124 HydrophobicContact CG1-CZ 3.57Å; V80-F124 HydrophobicContact CG2-CE2 4.41Å; V80-F124 HydrophobicContact CG2-CZ 4.46Å; V80-F124 PolarHBondContact N-O 3.28Å; V80-F124 PolarHBondContact O-N 3.2Å; L82-F124 HydrophobicContact CB-CE1 4.28Å; L103-F124 HydrophobicContact CD1-CE1 4.32Å; L103-F124 HydrophobicContact CD1-CE2 4.1Å; L103-F124 HydrophobicContact CD1-CZ 3.81Å; L103-F124 HydrophobicContact CD2-CD1 3.6Å; L103-F124 HydrophobicContact CD2-CD2 4.24Å; L103-F124 HydrophobicContact CD2-CE1 3.52Å; L103-F124 HydrophobicContact CD2-CE2 4.16Å; L103-F124 HydrophobicContact CD2-CG 3.96Å; L103-F124 HydrophobicContact CD2-CZ 3.8Å; L103-F124 HydrophobicContact CG-CZ 4.38Å; V105-F124 HydrophobicContact CG1-CD2 4.48Å; V105-F124 HydrophobicContact CG2-CB 4.47Å; V105-F124 HydrophobicContact CG2-CD2 3.43Å; V105-F124 VanDerWaalsContact CG2-CD2 3.43Å; V105-F124 HydrophobicContact CG2-CE2 3.94Å; V105-F124 HydrophobicContact CG2-CG 4.2Å; F124-F130 HydrophobicContact CD2-CE2 4.42Å; F124-F130 HydrophobicContact CE2-CE2 4.28Å; F124-F132 HydrophobicContact CE2-CB 3.91Å; F124-F132 HydrophobicContact CE2-CD1 4.05Å; F124-F132 AromaticContact CE2-CD2 3.95Å; F124-F132 HydrophobicContact CE2-CD2 3.95Å; F124-F132 HydrophobicContact CE2-CE2 4.44Å; F124-F132 AromaticContact CE2-CG 3.72Å; F124-F132 HydrophobicContact CE2-CG 3.72Å; F124-F132 AromaticContact CZ-CD2 3.86Å; F124-F132 HydrophobicContact CZ-CD2 3.86Å; F124-F132 HydrophobicContact CZ-CE2 4.01Å; F124-F132 HydrophobicContact CZ-CG 4.11Å; F124-F132 HydrophobicContact CZ-CZ 4.4Å; F124-F151 AromaticContact CE1-CD1 3.87Å; F124-F151 HydrophobicContact CE1-CD1 3.87Å; F124-F151 AromaticContact CE1-CE1 3.85Å; F124-F151 HydrophobicContact CE1-CE1 3.85Å; F124-F151 AromaticContact CZ-CD1 3.82Å; F124-F151 HydrophobicContact CZ-CD1 3.82Å; F124-F151 AromaticContact CZ-CE1 3.89Å; F124-F151 HydrophobicContact CZ-CE1 3.89Å
125	G	88.5	Confident	79.5	Confident	17 Å²	17	52.7 Å²	52.7	18%	0.175	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-172.2	176.8	0	0	0	0	0	114.1	N78 F130 L186	N78-G125 VanDerWaalsContact O-CA 3.29Å; N78-G125 WeakPolarHBondContact O-CA 3.5Å; G125-F130 VanDerWaalsContact CA-CZ 3.49Å; G125-L186 VanDerWaalsContact O-CD1 3.28Å; G125-L186 WeakPolarHBondContact O-CD1 3.27Å
126	A	89.2	Confident	80.9	Confident	16 Å²	16	52.1 Å²	52.1	13%	0.132	28%	0.276	C	S	.	.			trans	-161.4	-177.9	175	0	0	0	0	0	109.9	N78 V105 N106 P128 F130	N78-A126 WeakPolarHBondContact CA-O 3.17Å; N78-A126 PolarHBondContact O-N 2.75Å; V105-A126 HydrophobicContact CG1-CB 4.48Å; N106-A126 VanDerWaalsContact ND2-CB 3.35Å; N106-A126 WeakPolarHBondContact ND2-CB 3.32Å; A126-P128 WeakPolarHBondContact O-CD 3.48Å; A126-F130 HydrophobicContact CB-CB 3.66Å; A126-F130 HydrophobicContact CB-CD1 4.08Å; A126-F130 HydrophobicContact CB-CD2 4.28Å; A126-F130 HydrophobicContact CB-CG 3.78Å; A126-F130 WeakPolarHBondContact O-CD1 3.38Å
127	H	90	Very high	82.7	Confident	127 Å²	127	55 Å²	55	59%	0.588	29%	0.285	S	S	*	.	S	Bend	trans	-59.5	124.9	173.5	-76.7	78.9	0	0	0	110.1	P129 F159	H127-P129 CarbonylContact O-C 3.57Å; H127-F159 HydrophobicContact CB-CE2 4.36Å; H127-F159 AromaticContact CD2-CD2 3.56Å; H127-F159 AromaticContact CD2-CE2 3.75Å; H127-F159 AromaticContact CD2-CG 3.98Å; H127-F159 AromaticContact CE1-CD1 3.58Å; H127-F159 AromaticContact CE1-CD2 3.99Å; H127-F159 AromaticContact CE1-CE1 3.78Å; H127-F159 AromaticContact CE1-CG 3.69Å; H127-F159 AromaticContact CG-CE2 3.85Å; H127-F159 AromaticContact ND1-CE1 3.93Å; H127-F159 AromaticContact ND1-CZ 3.91Å; H127-F159 AromaticContact NE2-CD1 3.8Å; H127-F159 AromaticContact NE2-CD2 3.5Å; H127-F159 WeakPolarHBondContact NE2-CD2 3.45Å; H127-F159 AromaticContact NE2-CG 3.4Å; H127-F159 WeakPolarHBondContact NE2-CG 3.26Å
128	P	91.5	Very high	84.3	Confident	61 Å²	61	50 Å²	50	40%	0.396	26%	0.263	S	S	.	.	S	Bend	trans	-74.6	146.8	-178.7	27.5	-31.6	0	0	0	111.5	L76 N78 A126	L76-P128 WeakPolarHBondContact O-CB 3.29Å; N78-P128 HydrophobicContact CB-CG 4.09Å; A126-P128 WeakPolarHBondContact O-CD 3.48Å
129	P	94	Very high	85.9	Confident	80 Å²	80	46.7 Å²	46.7	52%	0.519	25%	0.246	S	C	.	.	S	Bend	cis	-76.1	141.8	-8.1	32.8	-33.6	0	0	0	111	K74 S75 L76 H127	K74-P129 HydrophobicContact CG-CB 4.42Å; S75-P129 VanDerWaalsContact O-CA 3.23Å; S75-P129 WeakPolarHBondContact O-CA 3.4Å; L76-P129 HydrophobicContact CD2-CB 3.98Å; H127-P129 CarbonylContact O-C 3.57Å
130	F	93.8	Very high	87.2	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	156.4	174.1	74.3	-94.6	0	0	0	111	K74 S75 V77 V80 V105 F124 G125 A126 F132	K74-F130 CarbonylContact C-O 3.57Å; S75-F130 PolarHBondContact N-O 3.28Å; S75-F130 PolarHBondContact O-N 2.87Å; S75-F130 VanDerWaalsContact O-N 3.09Å; V77-F130 WeakPolarHBondContact O-CD1 3.26Å; V77-F130 WeakPolarHBondContact O-CE1 3.36Å; V80-F130 HydrophobicContact CG2-CZ 3.9Å; V105-F130 HydrophobicContact CG1-CD2 3.91Å; V105-F130 HydrophobicContact CG1-CE2 4.07Å; F124-F130 HydrophobicContact CD2-CE2 4.42Å; F124-F130 HydrophobicContact CE2-CE2 4.28Å; G125-F130 VanDerWaalsContact CA-CZ 3.49Å; A126-F130 HydrophobicContact CB-CB 3.66Å; A126-F130 HydrophobicContact CB-CD1 4.08Å; A126-F130 HydrophobicContact CB-CD2 4.28Å; A126-F130 HydrophobicContact CB-CG 3.78Å; A126-F130 WeakPolarHBondContact O-CD1 3.38Å; F130-F132 HydrophobicContact CD2-CD1 4.46Å; F130-F132 HydrophobicContact CE2-CB 4.36Å; F130-F132 AromaticContact CE2-CD1 3.81Å; F130-F132 HydrophobicContact CE2-CD1 3.81Å; F130-F132 HydrophobicContact CE2-CG 4.49Å
131	N	94.8	Very high	88.1	Confident	88 Å²	88	50.3 Å²	50.3	47%	0.471	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.8	178.2	-61.3	-22.2	0	0	0	109.5	F73 K74 N106	F73-N131 CarbonylContact O-C 3.6Å; F73-N131 VanDerWaalsContact O-CA 3.23Å; F73-N131 WeakPolarHBondContact O-CA 3.44Å; K74-N131 WeakPolarHBondContact CG-OD1 3.31Å; N106-N131 PolarHBondContact N-O 3.13Å; N106-N131 PolarHBondContact OD1-N 3.28Å; N106-N131 VanDerWaalsContact OD1-N 3.11Å; N106-N131 PolarHBondContact OD1-O 3.21Å
132	F	93.9	Very high	89	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.9	165	67.9	-85.4	0	0	0	109.9	L45 F73 V80 L103 Q104 V105 F124 F130 V134 F151	L45-F132 HydrophobicContact CD1-CE1 4Å; L45-F132 HydrophobicContact CD1-CZ 3.76Å; F73-F132 HydrophobicContact CB-CD1 3.71Å; F73-F132 HydrophobicContact CB-CD2 4.01Å; F73-F132 HydrophobicContact CB-CE1 3.28Å; F73-F132 HydrophobicContact CB-CE2 3.63Å; F73-F132 HydrophobicContact CB-CG 4.07Å; F73-F132 HydrophobicContact CB-CZ 3.24Å; F73-F132 AromaticContact CD2-CD2 3.91Å; F73-F132 HydrophobicContact CD2-CD2 3.91Å; F73-F132 HydrophobicContact CD2-CE1 4.49Å; F73-F132 AromaticContact CD2-CE2 3.26Å; F73-F132 HydrophobicContact CD2-CE2 3.26Å; F73-F132 AromaticContact CD2-CZ 3.61Å; F73-F132 HydrophobicContact CD2-CZ 3.61Å; F73-F132 HydrophobicContact CE2-CE2 4.16Å; F73-F132 HydrophobicContact CG-CD2 4.4Å; F73-F132 HydrophobicContact CG-CE1 4.12Å; F73-F132 AromaticContact CG-CE2 3.71Å; F73-F132 HydrophobicContact CG-CE2 3.71Å; F73-F132 AromaticContact CG-CZ 3.55Å; F73-F132 HydrophobicContact CG-CZ 3.55Å; F73-F132 PolarHBondContact N-O 2.87Å; F73-F132 PolarHBondContact O-N 3.09Å; V80-F132 HydrophobicContact CG1-CZ 4.27Å; V80-F132 HydrophobicContact CG2-CE1 3.89Å; V80-F132 HydrophobicContact CG2-CZ 4.36Å; L103-F132 HydrophobicContact CD1-CB 4.28Å; L103-F132 HydrophobicContact CD1-CD2 3.75Å; L103-F132 HydrophobicContact CD1-CG 4.43Å; Q104-F132 CarbonylContact O-C 3.58Å; Q104-F132 WeakPolarHBondContact O-CA 3.36Å; Q104-F132 WeakPolarHBondContact O-CB 3.28Å; V105-F132 HydrophobicContact CG2-CB 4.3Å; F124-F132 HydrophobicContact CE2-CB 3.91Å; F124-F132 HydrophobicContact CE2-CD1 4.05Å; F124-F132 AromaticContact CE2-CD2 3.95Å; F124-F132 HydrophobicContact CE2-CD2 3.95Å; F124-F132 HydrophobicContact CE2-CE2 4.44Å; F124-F132 AromaticContact CE2-CG 3.72Å; F124-F132 HydrophobicContact CE2-CG 3.72Å; F124-F132 AromaticContact CZ-CD2 3.86Å; F124-F132 HydrophobicContact CZ-CD2 3.86Å; F124-F132 HydrophobicContact CZ-CE2 4.01Å; F124-F132 HydrophobicContact CZ-CG 4.11Å; F124-F132 HydrophobicContact CZ-CZ 4.4Å; F130-F132 HydrophobicContact CD2-CD1 4.46Å; F130-F132 HydrophobicContact CE2-CB 4.36Å; F130-F132 AromaticContact CE2-CD1 3.81Å; F130-F132 HydrophobicContact CE2-CD1 3.81Å; F130-F132 HydrophobicContact CE2-CG 4.49Å; F132-V134 HydrophobicContact CD2-CG2 4.35Å; F132-V134 HydrophobicContact CE2-CG2 4.4Å; F132-F151 AromaticContact CE2-CD1 3.93Å; F132-F151 HydrophobicContact CE2-CD1 3.93Å; F132-F151 HydrophobicContact CE2-CE1 4.24Å; F132-F151 HydrophobicContact CE2-CG 4.34Å; F132-F151 HydrophobicContact CZ-CD1 4.42Å
133	T	93.5	Very high	89.4	Confident	23 Å²	23	49.5 Å²	49.5	14%	0.141	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.5	-179.2	-57.7	0	0	0	0	108.8	I70 W71 H72 L103 Q104	I70-T133 HydrophobicContact CG2-CG2 3.46Å; I70-T133 VanDerWaalsContact CG2-CG2 3.46Å; W71-T133 CarbonylContact O-C 3.56Å; W71-T133 VanDerWaalsContact O-CA 3.26Å; W71-T133 WeakPolarHBondContact O-CA 3.24Å; H72-T133 VanDerWaalsContact ND1-CG2 3.33Å; H72-T133 WeakPolarHBondContact ND1-CG2 3.47Å; H72-T133 PolarHBondContact ND1-OG1 2.97Å; L103-T133 WeakPolarHBondContact CA-O 3.4Å; Q104-T133 PolarHBondContact N-O 2.75Å; Q104-T133 PolarHBondContact O-N 3.44Å
134	V	93	Very high	89.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.5	169.7	-174	0	0	0	0	107	V53 I70 W71 F73 L101 T102 L103 F132 F151	V53-V134 HydrophobicContact CG1-CG1 4.1Å; I70-V134 WeakPolarHBondContact CA-O 3.22Å; W71-V134 HydrophobicContact CB-CB 4.32Å; W71-V134 HydrophobicContact CE3-CB 4.02Å; W71-V134 HydrophobicContact CE3-CG1 4Å; W71-V134 HydrophobicContact CZ3-CG1 4.38Å; W71-V134 PolarHBondContact N-O 2.87Å; W71-V134 PolarHBondContact O-N 2.86Å; F73-V134 HydrophobicContact CE2-CG2 4.48Å; L101-V134 HydrophobicContact CD1-CG1 3.7Å; L101-V134 HydrophobicContact CG-CG1 4.5Å; T102-V134 WeakPolarHBondContact O-CA 3.12Å; L103-V134 HydrophobicContact CD1-CG2 3.98Å; F132-V134 HydrophobicContact CD2-CG2 4.35Å; F132-V134 HydrophobicContact CE2-CG2 4.4Å; V134-F151 HydrophobicContact CG2-CE1 4.13Å; V134-F151 HydrophobicContact CG2-CE2 3.98Å; V134-F151 HydrophobicContact CG2-CZ 3.53Å
135	T	91.9	Very high	89.7	Confident	17 Å²	17	55.8 Å²	55.8	10%	0.104	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.6	177.8	-55.8	0	0	0	0	109.5	C69 I70 L101 T102 R137	C69-T135 CarbonylContact O-C 3.59Å; C69-T135 WeakPolarHBondContact O-CA 3.18Å; I70-T135 HydrophobicContact CG1-CG2 4.17Å; L101-T135 CarbonylContact C-O 3.55Å; L101-T135 WeakPolarHBondContact CA-O 3.37Å; T102-T135 PolarHBondContact N-O 2.77Å; T102-T135 PolarHBondContact O-N 3.01Å; T102-T135 WeakPolarHBondContact OG1-CB 3.49Å; T135-R137 HydrophobicContact CG2-CG 4.14Å
136	F	92.5	Very high	89.8	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.7	170.4	176.9	-117.9	0	0	0	109.8	Y63 E68 C69 W71 V89 D99 K100 L101 F147	Y63-F136 HydrophobicContact CD1-CE1 4.47Å; Y63-F136 HydrophobicContact CD1-CZ 4.15Å; Y63-F136 AromaticContact CD2-CE1 3.91Å; Y63-F136 HydrophobicContact CD2-CE1 3.91Å; Y63-F136 AromaticContact CD2-CZ 3.75Å; Y63-F136 HydrophobicContact CD2-CZ 3.75Å; Y63-F136 HydrophobicContact CE1-CZ 4.22Å; Y63-F136 HydrophobicContact CE2-CE1 4.45Å; Y63-F136 AromaticContact CE2-CZ 3.83Å; Y63-F136 HydrophobicContact CE2-CZ 3.83Å; Y63-F136 AromaticContact CG-CE1 3.92Å; Y63-F136 HydrophobicContact CG-CE1 3.92Å; Y63-F136 AromaticContact CG-CZ 3.91Å; Y63-F136 HydrophobicContact CG-CZ 3.91Å; E68-F136 WeakPolarHBondContact CA-O 3.34Å; C69-F136 HydrophobicContact CB-CB 4.34Å; C69-F136 PolarHBondContact N-O 3.02Å; C69-F136 PolarHBondContact O-N 3.24Å; W71-F136 HydrophobicContact CH2-CB 4.23Å; W71-F136 HydrophobicContact CZ3-CB 3.88Å; V89-F136 HydrophobicContact CG1-CE2 3.99Å; V89-F136 HydrophobicContact CG2-CE2 4.31Å; D99-F136 HydrophobicContact CB-CE2 4.32Å; K100-F136 WeakPolarHBondContact O-CA 3.11Å; K100-F136 WeakPolarHBondContact O-CD2 3.18Å; L101-F136 HydrophobicContact CD1-CB 4.05Å; F136-F147 HydrophobicContact CB-CE1 4.15Å; F136-F147 HydrophobicContact CB-CZ 3.83Å; F136-F147 AromaticContact CD1-CE1 3.99Å; F136-F147 HydrophobicContact CD1-CE1 3.99Å; F136-F147 HydrophobicContact CD1-CZ 4.15Å; F136-F147 AromaticContact CD2-CE1 3.5Å; F136-F147 HydrophobicContact CD2-CE1 3.5Å; F136-F147 HydrophobicContact CD2-CZ 4.08Å; F136-F147 HydrophobicContact CE1-CE1 4.26Å; F136-F147 AromaticContact CE2-CE1 3.81Å; F136-F147 HydrophobicContact CE2-CE1 3.81Å; F136-F147 AromaticContact CG-CE1 3.59Å; F136-F147 HydrophobicContact CG-CE1 3.59Å; F136-F147 AromaticContact CG-CZ 3.75Å; F136-F147 HydrophobicContact CG-CZ 3.75Å; F136-F147 HydrophobicContact CZ-CE1 4.17Å
137	R	92.1	Very high	89.8	Confident	140 Å²	140	54.2 Å²	54.2	53%	0.528	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.2	176.1	-72	179.2	174.3	158	-0.2	109.8	A67 E68 D99 K100 T135	A67-R137 VanDerWaalsContact O-CA 3.28Å; A67-R137 WeakPolarHBondContact O-CA 3.35Å; E68-R137 HydrophobicContact CG-CG 4.26Å; E68-R137 IonicContact OE1-CZ 3.19Å; E68-R137 IonicContact OE1-NE 2.83Å; E68-R137 PolarHBondContact OE1-NE 3.04Å; E68-R137 IonicContact OE1-NH2 2.77Å; E68-R137 PolarHBondContact OE1-NH2 2.62Å; D99-R137 CarbonylContact C-O 3.55Å; D99-R137 WeakPolarHBondContact CA-O 3.19Å; K100-R137 PolarHBondContact N-O 3.43Å; K100-R137 PolarHBondContact O-N 3.22Å; T135-R137 HydrophobicContact CG2-CG 4.14Å
138	S	91.4	Very high	89.9	Confident	13 Å²	13	48.4 Å²	48.4	9%	0.091	24%	0.241	C	C	.	.			trans	-109.3	154	170.3	63.4	0	0	0	0	112.4	P64 N66 A67 D99	P64-S138 PolarHBondContact O-OG 2.9Å; N66-S138 VanDerWaalsContact CA-O 3.26Å; N66-S138 WeakPolarHBondContact CA-O 3.41Å; N66-S138 PolarHBondContact N-O 2.54Å; N66-S138 PolarHBondContact N-OG 2.86Å; A67-S138 WeakPolarHBondContact CB-OG 3.43Å; A67-S138 PolarHBondContact N-OG 2.98Å; A67-S138 PolarHBondContact O-N 3.04Å; D99-S138 WeakPolarHBondContact OD1-CA 3.3Å; D99-S138 WeakPolarHBondContact OD1-CB 3.34Å
139	D	90.8	Very high	89.9	Confident	38 Å²	38	45.5 Å²	45.5	20%	0.203	22%	0.222	C	C	.	.			trans	-91.5	-165.8	175.4	84.1	-3.7	0	0	0	112.4	H65 N66 D99 H141	H65-D139 CarbonylContact C-O 3.48Å; H65-D139 WeakPolarHBondContact CA-O 3.41Å; H65-D139 WeakPolarHBondContact CB-O 3.34Å; N66-D139 PolarHBondContact N-O 2.75Å; D99-D139 PolarHBondContact OD1-N 2.88Å; D139-H141 PolarHBondContact OD1-N 3.03Å; D139-H141 IonicContact OD1-ND1 2.83Å; D139-H141 IonicContact OD2-CE1 2.88Å; D139-H141 IonicContact OD2-CG 2.72Å; D139-H141 IonicContact OD2-ND1 2.75Å; D139-H141 PolarHBondContact OD2-ND1 3.2Å
140	D	89	Confident	89.9	Confident	102 Å²	102	42.6 Å²	42.6	55%	0.545	20%	0.204	S	C	.	.	S	Bend	trans	-96.8	10.1	179.9	66.4	-21.5	0	0	0	115.6
141	H	79.9	Confident	89.9	Confident	125 Å²	125	42.6 Å²	42.6	58%	0.579	20%	0.204	S	C	*	.	S	Bend	trans	-103.6	-83.4	-171.6	-66.3	91	0	0	0	114.7	H65 D139	H65-H141 PolarHBondContact CE1-O 2.92Å; D139-H141 PolarHBondContact OD1-N 3.03Å; D139-H141 IonicContact OD1-ND1 2.83Å; D139-H141 IonicContact OD2-CE1 2.88Å; D139-H141 IonicContact OD2-CG 2.72Å; D139-H141 IonicContact OD2-ND1 2.75Å; D139-H141 PolarHBondContact OD2-ND1 3.2Å
142	I	80.1	Confident	90	Very high	69 Å²	69	44.3 Å²	44.3	35%	0.354	20%	0.204	S	C	.	.			trans	-119.4	124.7	-171.6	-53.4	-174.8	0	0	0	108.5	E90 Y92 W144	E90-I142 HydrophobicContact CG-CB 3.98Å; E90-I142 HydrophobicContact CG-CG2 4.42Å; E90-I142 WeakPolarHBondContact OE1-CB 3.39Å; Y92-I142 WeakPolarHBondContact OH-CD1 3.35Å; I142-W144 HydrophobicContact CG2-CZ2 4.43Å
143	H	81.5	Confident	90.1	Very high	70 Å²	70	44.2 Å²	44.2	32%	0.324	20%	0.204	S	C	.	.			trans	-109.3	155.4	168.8	52.9	-129	0	0	0	111.6	P62 Y63 H65	P62-H143 HydrophobicContact CB-CB 4.39Å; P62-H143 WeakPolarHBondContact CB-CD2 3.33Å; Y63-H143 HydrophobicContact CD2-CB 3.7Å; Y63-H143 HydrophobicContact CE2-CB 3.44Å; Y63-H143 VanDerWaalsContact CE2-CB 3.44Å; Y63-H143 HydrophobicContact CG-CB 4.34Å; Y63-H143 WeakPolarHBondContact O-CB 3.47Å; Y63-H143 VanDerWaalsContact O-CG 3.25Å; Y63-H143 PolarHBondContact O-ND1 2.74Å; H65-H143 AromaticContact CD2-CE1 3.91Å; H65-H143 AromaticContact CD2-ND1 3.65Å; H65-H143 AromaticContact CE1-CE1 3.7Å; H65-H143 AromaticContact CE1-CG 3.88Å; H65-H143 AromaticContact CE1-ND1 3.13Å; H65-H143 PolarHBondContact CE1-ND1 2.82Å; H65-H143 AromaticContact CG-ND1 3.96Å; H65-H143 AromaticContact ND1-ND1 3.67Å; H65-H143 AromaticContact NE2-CE1 3.22Å; H65-H143 PolarHBondContact NE2-CE1 2.98Å; H65-H143 AromaticContact NE2-ND1 3.08Å; H65-H143 PolarHBondContact NE2-ND1 2.85Å
144	W	85.6	Confident	90.1	Very high	116 Å²	116	45.8 Å²	45.8	44%	0.439	21%	0.207	S	C	.	.			trans	-126.2	-172.2	176.5	-68.2	91.4	0	0	0	110.4	P62 Y63 N88 E90 I142 G146	P62-W144 WeakPolarHBondContact CA-O 3.34Å; P62-W144 VanDerWaalsContact CB-O 3.31Å; P62-W144 WeakPolarHBondContact CB-O 3.46Å; Y63-W144 WeakPolarHBondContact CD1-O 3.39Å; Y63-W144 HydrophobicContact CE1-CB 4.06Å; Y63-W144 VanDerWaalsContact CE1-N 3.28Å; Y63-W144 WeakPolarHBondContact CE1-O 3.4Å; Y63-W144 VanDerWaalsContact CZ-N 3.27Å; Y63-W144 PolarHBondContact N-O 3.07Å; Y63-W144 PolarHBondContact OH-N 2.83Å; N88-W144 WeakPolarHBondContact O-CB 3.42Å; E90-W144 VanDerWaalsContact CA-CD1 3.48Å; I142-W144 HydrophobicContact CG2-CZ2 4.43Å; W144-G146 PolarHBondContact O-N 2.84Å
145	M	87.4	Confident	90.1	Very high	67 Å²	67	51.1 Å²	51.1	33%	0.33	24%	0.236	S	C	.	.			trans	-66.1	-17.3	-178.3	-168.4	59.9	64	0	0	113.2	Y58 F86	Y58-M145 HydrophobicContact CD2-CG 4.42Å; F86-M145 HydrophobicContact CE1-CB 3.72Å; F86-M145 HydrophobicContact CE1-CG 3.71Å; F86-M145 HydrophobicContact CZ-CB 3.78Å; F86-M145 HydrophobicContact CZ-CG 3.8Å
146	G	89.1	Confident	89.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85	-139.4	175.3	0	0	0	0	0	113.6	S55 Y63 F86 F87 N88 W144	S55-G146 VanDerWaalsContact OG-CA 3.26Å; S55-G146 WeakPolarHBondContact OG-CA 3.36Å; Y63-G146 VanDerWaalsContact CD1-CA 3.48Å; F86-G146 WeakPolarHBondContact CD1-O 3.38Å; F86-G146 VanDerWaalsContact CE1-O 3.23Å; F86-G146 WeakPolarHBondContact CE1-O 3.44Å; F87-G146 CarbonylContact C-O 3.39Å; N88-G146 CarbonylContact C-O 3.24Å; N88-G146 WeakPolarHBondContact CA-O 3.05Å; N88-G146 PolarHBondContact N-O 2.98Å; N88-G146 VanDerWaalsContact O-CA 3.27Å; N88-G146 WeakPolarHBondContact O-CA 3.34Å; N88-G146 PolarHBondContact O-N 2.84Å; W144-G146 PolarHBondContact O-N 2.84Å
147	F	90.2	Very high	89.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	160.5	-168	55.6	-98.4	0	0	0	114.1	V53 K54 S55 W71 F86 F87 V89 L101 F136 L149	V53-F147 HydrophobicContact CG1-CE2 4.07Å; K54-F147 WeakPolarHBondContact CA-O 3.4Å; S55-F147 VanDerWaalsContact N-CE2 3.33Å; S55-F147 PolarHBondContact N-O 3.42Å; S55-F147 VanDerWaalsContact N-O 3.09Å; S55-F147 PolarHBondContact OG-N 2.02Å; W71-F147 HydrophobicContact CH2-CE2 4.32Å; W71-F147 HydrophobicContact CH2-CZ 4.14Å; W71-F147 HydrophobicContact CZ3-CZ 4.42Å; F86-F147 CarbonylContact O-C 3.57Å; F86-F147 VanDerWaalsContact O-CA 3.26Å; F86-F147 WeakPolarHBondContact O-CA 3.49Å; F86-F147 WeakPolarHBondContact O-CB 3.45Å; F87-F147 HydrophobicContact CD2-CB 3.79Å; F87-F147 HydrophobicContact CE2-CB 4.35Å; V89-F147 HydrophobicContact CG2-CD1 3.71Å; V89-F147 HydrophobicContact CG2-CE1 4.37Å; L101-F147 HydrophobicContact CD1-CE1 4.16Å; L101-F147 HydrophobicContact CD1-CE2 4.27Å; L101-F147 HydrophobicContact CD1-CZ 3.83Å; F136-F147 HydrophobicContact CB-CE1 4.15Å; F136-F147 HydrophobicContact CB-CZ 3.83Å; F136-F147 AromaticContact CD1-CE1 3.99Å; F136-F147 HydrophobicContact CD1-CE1 3.99Å; F136-F147 HydrophobicContact CD1-CZ 4.15Å; F136-F147 AromaticContact CD2-CE1 3.5Å; F136-F147 HydrophobicContact CD2-CE1 3.5Å; F136-F147 HydrophobicContact CD2-CZ 4.08Å; F136-F147 HydrophobicContact CE1-CE1 4.26Å; F136-F147 AromaticContact CE2-CE1 3.81Å; F136-F147 HydrophobicContact CE2-CE1 3.81Å; F136-F147 AromaticContact CG-CE1 3.59Å; F136-F147 HydrophobicContact CG-CE1 3.59Å; F136-F147 AromaticContact CG-CZ 3.75Å; F136-F147 HydrophobicContact CG-CZ 3.75Å; F136-F147 HydrophobicContact CZ-CE1 4.17Å; F147-L149 HydrophobicContact CD2-CD1 3.93Å; F147-L149 HydrophobicContact CD2-CG 3.84Å; F147-L149 HydrophobicContact CE2-CD1 4.24Å; F147-L149 HydrophobicContact CG-CG 4.47Å
148	N	92.1	Very high	89.6	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.027	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	106.4	169.6	-175.1	16	0	0	0	109.4	K54 Y58 E85 F86	K54-N148 VanDerWaalsContact CE-OD1 3.3Å; K54-N148 WeakPolarHBondContact CE-OD1 3.5Å; K54-N148 HydrophobicContact CG-CB 4.33Å; K54-N148 WeakPolarHBondContact CG-OD1 3.37Å; Y58-N148 HydrophobicContact CD1-CB 4.17Å; Y58-N148 HydrophobicContact CE1-CB 3.54Å; E85-N148 HydrophobicContact CB-CB 4.39Å; E85-N148 PolarHBondContact N-O 2.99Å; E85-N148 PolarHBondContact OE2-ND2 2.88Å; F86-N148 HydrophobicContact CB-CB 4.39Å; F86-N148 PolarHBondContact N-O 2.8Å; F86-N148 PolarHBondContact O-N 3.46Å
149	L	92.2	Very high	89.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.4	-176.6	-52.3	173.7	0	0	0	109.4	N52 V53 L82 T84 F87 L101 F147 F151	N52-L149 CarbonylContact C-O 3.59Å; N52-L149 WeakPolarHBondContact CA-O 3.38Å; V53-L149 HydrophobicContact CB-CB 4.42Å; V53-L149 PolarHBondContact N-O 3.04Å; V53-L149 PolarHBondContact O-N 2.88Å; L82-L149 HydrophobicContact CD1-CB 3.97Å; L82-L149 HydrophobicContact CD1-CD2 4.32Å; T84-L149 HydrophobicContact CG2-CD2 3.35Å; F87-L149 HydrophobicContact CD2-CD2 4.29Å; L101-L149 HydrophobicContact CD1-CD1 4.38Å; L101-L149 HydrophobicContact CD2-CD1 3.47Å; L101-L149 VanDerWaalsContact CD2-CD1 3.47Å; F147-L149 HydrophobicContact CD2-CD1 3.93Å; F147-L149 HydrophobicContact CD2-CG 3.84Å; F147-L149 HydrophobicContact CE2-CD1 4.24Å; F147-L149 HydrophobicContact CG-CG 4.47Å; L149-F151 HydrophobicContact CB-CD2 4.45Å; L149-F151 HydrophobicContact CB-CE2 3.83Å; L149-F151 HydrophobicContact CD1-CE2 4.29Å; L149-F151 HydrophobicContact CD1-CZ 4.45Å
150	S	93.6	Very high	89.5	Confident	20 Å²	20	53.7 Å²	53.7	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.7	178.1	-61.8	0	0	0	0	109.3	N52 S83	N52-S150 PolarHBondContact OD1-OG 2.83Å; S83-S150 PolarHBondContact N-O 3.14Å; S83-S150 PolarHBondContact O-N 3.32Å; S83-S150 WeakPolarHBondContact OG-CB 3.4Å; S83-S150 PolarHBondContact OG-O 2.81Å
151	F	94.4	Very high	89.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.4	176.7	-67.3	-93.4	0	0	0	109.3	V50 V51 V53 V80 E81 L82 L103 F124 F132 V134 L149	V50-F151 CarbonylContact C-O 3.48Å; V50-F151 WeakPolarHBondContact CA-O 3.43Å; V51-F151 HydrophobicContact CG1-CB 3.82Å; V51-F151 PolarHBondContact N-O 2.92Å; V51-F151 PolarHBondContact O-N 2.98Å; V53-F151 HydrophobicContact CB-CD2 4.31Å; V53-F151 HydrophobicContact CB-CE2 3.91Å; V53-F151 HydrophobicContact CG2-CD2 3.91Å; V53-F151 HydrophobicContact CG2-CE2 3.78Å; V80-F151 HydrophobicContact CG1-CB 3.86Å; V80-F151 HydrophobicContact CG1-CD1 3.85Å; V80-F151 HydrophobicContact CG1-CG 4.37Å; E81-F151 CarbonylContact O-C 3.55Å; E81-F151 WeakPolarHBondContact O-CA 3.49Å; L82-F151 HydrophobicContact CB-CD1 4.31Å; L82-F151 HydrophobicContact CB-CE1 4.16Å; L82-F151 HydrophobicContact CD1-CD1 4.29Å; L82-F151 HydrophobicContact CD1-CE1 3.83Å; L82-F151 HydrophobicContact CD1-CE2 4.06Å; L82-F151 HydrophobicContact CD1-CZ 3.7Å; L82-F151 HydrophobicContact CD2-CE1 4.42Å; L82-F151 HydrophobicContact CG-CE1 4.36Å; L103-F151 HydrophobicContact CD1-CE1 4.22Å; F124-F151 AromaticContact CE1-CD1 3.87Å; F124-F151 HydrophobicContact CE1-CD1 3.87Å; F124-F151 AromaticContact CE1-CE1 3.85Å; F124-F151 HydrophobicContact CE1-CE1 3.85Å; F124-F151 AromaticContact CZ-CD1 3.82Å; F124-F151 HydrophobicContact CZ-CD1 3.82Å; F124-F151 AromaticContact CZ-CE1 3.89Å; F124-F151 HydrophobicContact CZ-CE1 3.89Å; F132-F151 AromaticContact CE2-CD1 3.93Å; F132-F151 HydrophobicContact CE2-CD1 3.93Å; F132-F151 HydrophobicContact CE2-CE1 4.24Å; F132-F151 HydrophobicContact CE2-CG 4.34Å; F132-F151 HydrophobicContact CZ-CD1 4.42Å; V134-F151 HydrophobicContact CG2-CE1 4.13Å; V134-F151 HydrophobicContact CG2-CE2 3.98Å; V134-F151 HydrophobicContact CG2-CZ 3.53Å; L149-F151 HydrophobicContact CB-CD2 4.45Å; L149-F151 HydrophobicContact CB-CE2 3.83Å; L149-F151 HydrophobicContact CD1-CE2 4.29Å; L149-F151 HydrophobicContact CD1-CZ 4.45Å
152	R	95.1	Very high	90.2	Very high	124 Å²	124	49.1 Å²	49.1	47%	0.468	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117	179.5	178.3	176.2	-175.9	-159.6	1.5	110.7	D49 V50 V80 E81	D49-R152 CarbonylContact O-C 3.52Å; D49-R152 WeakPolarHBondContact O-CA 3.21Å; V50-R152 HydrophobicContact CG2-CB 4Å; V50-R152 HydrophobicContact CG2-CG 3.86Å; V80-R152 CarbonylContact C-O 3.55Å; V80-R152 WeakPolarHBondContact CA-O 3.5Å; E81-R152 HydrophobicContact CB-CB 4.37Å; E81-R152 PolarHBondContact N-O 2.84Å; E81-R152 PolarHBondContact O-N 2.81Å
153	A	96.4	Very high	90.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.2	176.7	0	0	0	0	0	110.8	L45 K46 G48 D49 V77 V80	L45-A153 HydrophobicContact CB-CB 3.64Å; L45-A153 HydrophobicContact CD1-CB 4.19Å; K46-A153 WeakPolarHBondContact O-CB 3.4Å; G48-A153 PolarHBondContact N-O 2.83Å; D49-A153 PolarHBondContact O-N 2.72Å; V77-A153 HydrophobicContact CG2-CB 3.68Å; V80-A153 HydrophobicContact CG2-CB 4.42Å
154	Y	94.5	Very high	91.5	Very high	56 Å²	56	48 Å²	48	22%	0.22	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.1	178.7	71.5	-78.6	0	0	0	112	V77 A79 E81 T123 A156	V77-Y154 WeakPolarHBondContact CB-O 3.49Å; V77-Y154 WeakPolarHBondContact CG2-O 3.19Å; A79-Y154 HydrophobicContact CB-CD1 4.23Å; A79-Y154 HydrophobicContact CB-CD2 4.45Å; A79-Y154 HydrophobicContact CB-CE1 3.7Å; A79-Y154 HydrophobicContact CB-CE2 3.98Å; A79-Y154 PolarHBondContact N-O 2.7Å; A79-Y154 PolarHBondContact O-N 3.29Å; A79-Y154 VanDerWaalsContact O-O 3.05Å; E81-Y154 HydrophobicContact CB-CD1 4.19Å; E81-Y154 HydrophobicContact CB-CE1 3.8Å; T123-Y154 WeakPolarHBondContact CB-OH 2.89Å; T123-Y154 HydrophobicContact CG2-CE1 4.36Å; T123-Y154 VanDerWaalsContact CG2-OH 3.22Å; T123-Y154 WeakPolarHBondContact CG2-OH 3.34Å; Y154-A156 HydrophobicContact CD2-CB 4.47Å; Y154-A156 HydrophobicContact CE2-CB 3.83Å
155	D	92.3	Very high	91.9	Very high	111 Å²	111	45.4 Å²	45.4	59%	0.594	26%	0.263	S	S	*	.			trans	-86.5	112.5	173.2	-172.3	-7.6	0	0	0	109.7	G157	D155-G157 VanDerWaalsContact C-N 3.28Å; D155-G157 WeakPolarHBondContact OD1-CA 3.21Å; D155-G157 PolarHBondContact OD1-N 3.29Å
156	A	88.6	Confident	92.2	Very high	24 Å²	24	48.6 Å²	48.6	20%	0.198	27%	0.271	C	S	.	.			trans	-84.3	1.1	176.7	0	0	0	0	0	113.5	N78 A79 Y154 P185	N78-A156 PolarHBondContact OD1-N 3.09Å; A79-A156 HydrophobicContact CB-CB 3.58Å; Y154-A156 HydrophobicContact CD2-CB 4.47Å; Y154-A156 HydrophobicContact CE2-CB 3.83Å; A156-P185 HydrophobicContact CB-CB 3.96Å; A156-P185 HydrophobicContact CB-CG 3.76Å; A156-P185 VanDerWaalsContact O-CB 3.24Å; A156-P185 WeakPolarHBondContact O-CB 3.37Å
157	G	88.3	Confident	92.5	Very high	23 Å²	23	56 Å²	56	24%	0.237	30%	0.299	C	S	.	.			trans	97.6	-178.5	-178.8	0	0	0	0	0	113.6	N78 D155	N78-G157 PolarHBondContact ND2-O 2.84Å; D155-G157 VanDerWaalsContact C-N 3.28Å; D155-G157 WeakPolarHBondContact OD1-CA 3.21Å; D155-G157 PolarHBondContact OD1-N 3.29Å
158	P	89.8	Confident	92.8	Very high	98 Å²	98	56.8 Å²	56.8	64%	0.636	30%	0.303	S	S	*	.			trans	-73.5	147.6	-173.6	29.6	-35	0	0	0	112.4	V160	P158-V160 HydrophobicContact CG-CG2 4.48Å; P158-V160 PolarHBondContact O-N 2.97Å
159	F	89	Confident	93	Very high	59 Å²	59	63.1 Å²	63.1	26%	0.259	33%	0.327	S	S	.	.			trans	-65	125.8	166.2	-71	-86.1	0	0	0	109.9	N78 H127 W184 L186	N78-F159 HydrophobicContact CB-CE2 3.86Å; N78-F159 HydrophobicContact CB-CZ 4.12Å; H127-F159 HydrophobicContact CB-CE2 4.36Å; H127-F159 AromaticContact CD2-CD2 3.56Å; H127-F159 AromaticContact CD2-CE2 3.75Å; H127-F159 AromaticContact CD2-CG 3.98Å; H127-F159 AromaticContact CE1-CD1 3.58Å; H127-F159 AromaticContact CE1-CD2 3.99Å; H127-F159 AromaticContact CE1-CE1 3.78Å; H127-F159 AromaticContact CE1-CG 3.69Å; H127-F159 AromaticContact CG-CE2 3.85Å; H127-F159 AromaticContact ND1-CE1 3.93Å; H127-F159 AromaticContact ND1-CZ 3.91Å; H127-F159 AromaticContact NE2-CD1 3.8Å; H127-F159 AromaticContact NE2-CD2 3.5Å; H127-F159 WeakPolarHBondContact NE2-CD2 3.45Å; H127-F159 AromaticContact NE2-CG 3.4Å; H127-F159 WeakPolarHBondContact NE2-CG 3.26Å; F159-W184 WeakPolarHBondContact CA-O 3.46Å; F159-W184 WeakPolarHBondContact CD1-O 3.24Å; F159-L186 HydrophobicContact CE1-CD1 3.73Å; F159-L186 HydrophobicContact CE1-CG 4.11Å; F159-L186 HydrophobicContact CZ-CD1 3.89Å; F159-L186 HydrophobicContact CZ-CG 4.38Å
160	V	90.3	Very high	93.2	Very high	58 Å²	58	63.1 Å²	63.1	35%	0.352	33%	0.327	S	S	.	.			trans	-122.1	125.1	-179.3	178.7	0	0	0	0	108.3	P158 S162 V180 W184	P158-V160 HydrophobicContact CG-CG2 4.48Å; P158-V160 PolarHBondContact O-N 2.97Å; V160-S162 PolarHBondContact O-N 2.85Å; V160-V180 HydrophobicContact CB-CG2 4.06Å; V160-V180 HydrophobicContact CG1-CG2 3.89Å; V160-W184 PolarHBondContact N-O 3.35Å
161	N	91.5	Very high	93.2	Very high	120 Å²	120	70 Å²	70	64%	0.642	35%	0.354	S	S	*	.			trans	-63.9	122	174.6	-172.8	-26.1	0	0	0	109.5	N163	N161-N163 PolarHBondContact O-N 3.47Å; N161-N163 VanDerWaalsContact O-N 3.11Å; N161-N163 PolarHBondContact O-ND2 2.84Å; N161-N163 PolarHBondContact OD1-N 2.94Å
162	S	93.2	Very high	93.2	Very high	11 Å²	11	75.9 Å²	75.9	8%	0.077	38%	0.38	C	S	.	.			trans	-60.5	-20.2	178.4	-44.4	0	0	0	0	112.8	V160 C164 V180 S181 P182 W196	V160-S162 PolarHBondContact O-N 2.85Å; S162-C164 VanDerWaalsContact C-N 3.29Å; S162-C164 PolarHBondContact O-N 3.35Å; S162-V180 VanDerWaalsContact CB-O 3.25Å; S162-V180 WeakPolarHBondContact CB-O 3.46Å; S162-V180 PolarHBondContact OG-O 2.89Å; S162-S181 VanDerWaalsContact OG-C 3.24Å; S162-S181 PolarHBondContact OG-O 3.4Å; S162-P182 WeakPolarHBondContact OG-CA 3.43Å; S162-W196 PolarHBondContact O-NE1 3.3Å
163	N	93.6	Very high	93	Very high	49 Å²	49	72.7 Å²	72.7	26%	0.262	38%	0.375	S	S	.	.			trans	54	43.3	-178.2	-69.2	-86.5	0	0	0	112.2	N161 R166	N161-N163 PolarHBondContact O-N 3.47Å; N161-N163 VanDerWaalsContact O-N 3.11Å; N161-N163 PolarHBondContact O-ND2 2.84Å; N161-N163 PolarHBondContact OD1-N 2.94Å; N163-R166 HydrophobicContact CB-CB 3.96Å; N163-R166 WeakPolarHBondContact O-CB 3.49Å; N163-R166 PolarHBondContact O-N 3.38Å; N163-R166 VanDerWaalsContact O-N 3.1Å; N163-R166 PolarHBondContact OD1-NH1 3.27Å
164	C	94.2	Very high	92.8	Very high	66 Å²	66	77.8 Å²	77.8	45%	0.446	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	140.2	178.6	-56.8	0	0	0	0	111.6	S162 R166 C194	S162-C164 VanDerWaalsContact C-N 3.29Å; S162-C164 PolarHBondContact O-N 3.35Å; C164-R166 PolarHBondContact O-N 2.76Å; C164-C194 WeakPolarHBondContact CA-SG 3.21Å; C164-C194 HydrophobicContact CB-CB 4.06Å; C164-C194 WeakPolarHBondContact CB-SG 3.04Å; C164-C194 WeakPolarHBondContact SG-CB 3.5Å; C164-C194 CovalentContact SG-SG 2.03Å; C164-C194 PolarHBondContact SG-SG 2.88Å
165	G	94.1	Very high	92.9	Very high	62 Å²	62	76.2 Å²	76.2	64%	0.639	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-2.8	-175.9	0	0	0	0	0	114.4	S195	G165-S195 WeakPolarHBondContact CA-O 3.21Å; G165-S195 PolarHBondContact N-O 3.38Å
166	R	93.8	Very high	93	Very high	134 Å²	134	77.4 Å²	77.4	51%	0.506	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-77.4	141.7	-177.5	-169.1	176.1	179.3	172.4	-0.1	111.7	N163 C164 T197	N163-R166 HydrophobicContact CB-CB 3.96Å; N163-R166 WeakPolarHBondContact O-CB 3.49Å; N163-R166 PolarHBondContact O-N 3.38Å; N163-R166 VanDerWaalsContact O-N 3.1Å; N163-R166 PolarHBondContact OD1-NH1 3.27Å; C164-R166 PolarHBondContact O-N 2.76Å; R166-T197 PolarHBondContact O-N 2.83Å
167	R	95.7	Very high	93.4	Very high	155 Å²	155	77.8 Å²	77.8	59%	0.585	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	116.6	168.7	-51.9	-176.3	80.3	-148.9	-1.9	109.4	T197 E199	R167-T197 CarbonylContact C-O 3.08Å; R167-T197 WeakPolarHBondContact CA-O 3.09Å; R167-E199 IonicContact CZ-OE1 3.77Å; R167-E199 IonicContact NE-OE1 3.44Å; R167-E199 IonicContact NH1-OE1 3.9Å; R167-E199 PolarHBondContact NH1-OE1 3.21Å; R167-E199 IonicContact NH2-OE1 3.29Å; R167-E199 PolarHBondContact NH2-OE1 2.72Å
168	H	96.3	Very high	93.7	Very high	18 Å²	18	79.4 Å²	79.4	8%	0.083	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.7	175.1	-66	-102.4	0	0	0	109.5	F177 W196 T197 I198 E199	H168-F177 HydrophobicContact CB-CD1 4.3Å; H168-F177 HydrophobicContact CB-CD2 4.09Å; H168-F177 HydrophobicContact CB-CE1 3.72Å; H168-F177 HydrophobicContact CB-CE2 3.47Å; H168-F177 VanDerWaalsContact CB-CE2 3.47Å; H168-F177 HydrophobicContact CB-CG 4.48Å; H168-F177 HydrophobicContact CB-CZ 3.28Å; H168-F177 AromaticContact CE1-CD2 3.96Å; H168-F177 AromaticContact CG-CD2 3.78Å; H168-F177 AromaticContact CG-CE2 3.54Å; H168-F177 AromaticContact CG-CZ 3.9Å; H168-F177 AromaticContact ND1-CD2 3.33Å; H168-F177 VanDerWaalsContact ND1-CD2 3.33Å; H168-F177 WeakPolarHBondContact ND1-CD2 3.23Å; H168-F177 AromaticContact ND1-CE2 3.62Å; H168-F177 AromaticContact ND1-CG 3.63Å; H168-W196 AromaticContact NE2-CD1 3.88Å; H168-T197 PolarHBondContact N-O 3.11Å; H168-I198 CarbonylContact O-C 3.55Å; H168-I198 WeakPolarHBondContact O-CA 3.43Å; H168-E199 PolarHBondContact O-N 3.5Å
169	R	96.4	Very high	94	Very high	137 Å²	137	74.8 Å²	74.8	52%	0.517	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.3	-178.2	-167.7	169.8	-175.7	-168.6	-0.1	110.8	K171 E199 P201	R169-K171 VanDerWaalsContact C-N 3.26Å; R169-K171 HydrophobicContact CB-CG 4.38Å; R169-K171 HydrophobicContact CG-CG 4.34Å; R169-K171 PolarHBondContact O-N 2.82Å; R169-E199 CarbonylContact C-O 3.57Å; R169-E199 WeakPolarHBondContact CA-O 3.28Å; R169-E199 HydrophobicContact CB-CB 4.35Å; R169-E199 WeakPolarHBondContact CD-OE2 3.47Å; R169-E199 HydrophobicContact CG-CB 4.03Å; R169-E199 IonicContact NE-OE2 3.16Å; R169-P201 HydrophobicContact CG-CG 4.09Å
170	L	95.9	Very high	94.3	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.363	C	S	.	.			trans	-76.5	74.1	175.2	-66.9	175.4	0	0	0	110.4	K172 T175 F177 I198 E199 N200 P201 L202 V209 A275	L170-K172 VanDerWaalsContact C-N 3.35Å; L170-K172 PolarHBondContact O-N 3.39Å; L170-T175 HydrophobicContact CD2-CG2 4.03Å; L170-F177 HydrophobicContact CD2-CE1 3.7Å; L170-F177 HydrophobicContact CD2-CZ 4.43Å; L170-F177 HydrophobicContact CG-CE1 4.4Å; L170-I198 HydrophobicContact CD1-CG2 4.35Å; L170-I198 HydrophobicContact CG-CG2 4.38Å; L170-E199 PolarHBondContact N-O 2.65Å; L170-N200 HydrophobicContact CD1-CB 4.12Å; L170-P201 WeakPolarHBondContact O-CD 3.39Å; L170-P201 WeakPolarHBondContact O-CG 3.33Å; L170-L202 VanDerWaalsContact O-CD1 3.24Å; L170-L202 WeakPolarHBondContact O-CD1 3.01Å; L170-L202 WeakPolarHBondContact O-CG 3.11Å; L170-V209 HydrophobicContact CD1-CB 4.33Å; L170-V209 HydrophobicContact CD1-CG1 4.21Å; L170-V209 HydrophobicContact CD1-CG2 3.81Å; L170-A275 HydrophobicContact CB-CB 4.31Å; L170-A275 HydrophobicContact CD1-CB 4.2Å; L170-A275 HydrophobicContact CD2-CB 4.25Å
171	K	93.5	Very high	94.4	Very high	166 Å²	166	69.3 Å²	69.3	72%	0.722	35%	0.347	S	S	*	.			trans	-64.1	-34.3	-171	-64.4	-179	-178.5	-178.2	0	114.3	R169 T175	R169-K171 VanDerWaalsContact C-N 3.26Å; R169-K171 HydrophobicContact CB-CG 4.38Å; R169-K171 HydrophobicContact CG-CG 4.34Å; R169-K171 PolarHBondContact O-N 2.82Å; K171-T175 PolarHBondContact N-OG1 3.38Å
172	K	94.5	Very high	94.5	Very high	123 Å²	123	64.6 Å²	64.6	54%	0.535	32%	0.323	S	S	.	.	S	Bend	trans	-140.8	158.7	-176.4	61	179.4	-179.4	-179.3	0	111.5	L170 T174 T175	L170-K172 VanDerWaalsContact C-N 3.35Å; L170-K172 PolarHBondContact O-N 3.39Å; K172-T174 VanDerWaalsContact CD-OG1 3.31Å; K172-T174 WeakPolarHBondContact CD-OG1 3.25Å; K172-T174 VanDerWaalsContact CE-OG1 3.23Å; K172-T174 WeakPolarHBondContact CE-OG1 3.07Å; K172-T174 PolarHBondContact O-N 3.36Å; K172-T175 VanDerWaalsContact CG-OG1 3.3Å; K172-T175 WeakPolarHBondContact CG-OG1 3.37Å; K172-T175 PolarHBondContact N-OG1 2.94Å; K172-T175 VanDerWaalsContact O-CB 3.29Å; K172-T175 WeakPolarHBondContact O-CB 3.46Å; K172-T175 PolarHBondContact O-N 2.03Å; K172-T175 PolarHBondContact O-OG1 3.23Å
173	P	91.7	Very high	94.3	Very high	57 Å²	57	68.2 Å²	68.2	37%	0.37	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-24.9	177.3	-34.4	40.3	0	0	0	115.9	Y207	P173-Y207 HydrophobicContact CB-CD1 4.35Å; P173-Y207 HydrophobicContact CB-CE1 3.5Å; P173-Y207 HydrophobicContact CB-CE2 4.39Å; P173-Y207 WeakPolarHBondContact CB-OH 3.47Å; P173-Y207 HydrophobicContact CG-CE1 3.9Å; P173-Y207 HydrophobicContact CG-CE2 3.85Å; P173-Y207 VanDerWaalsContact CG-CZ 3.43Å; P173-Y207 VanDerWaalsContact CG-OH 3.32Å; P173-Y207 WeakPolarHBondContact CG-OH 3.38Å
174	T	92.2	Very high	94.2	Very high	106 Å²	106	66.8 Å²	66.8	65%	0.65	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	5.7	179.4	53.2	0	0	0	0	113.7	K172 K176	K172-T174 VanDerWaalsContact CD-OG1 3.31Å; K172-T174 WeakPolarHBondContact CD-OG1 3.25Å; K172-T174 VanDerWaalsContact CE-OG1 3.23Å; K172-T174 WeakPolarHBondContact CE-OG1 3.07Å; K172-T174 PolarHBondContact O-N 3.36Å; T174-K176 PolarHBondContact O-N 2.87Å
175	T	95.4	Very high	94	Very high	24 Å²	24	63.7 Å²	63.7	15%	0.147	31%	0.311	C	S	.	.			trans	-66.1	129	-179.6	-49.4	0	0	0	0	109.7	L170 K171 K172 F177 S274 A275	L170-T175 HydrophobicContact CD2-CG2 4.03Å; K171-T175 PolarHBondContact N-OG1 3.38Å; K172-T175 VanDerWaalsContact CG-OG1 3.3Å; K172-T175 WeakPolarHBondContact CG-OG1 3.37Å; K172-T175 PolarHBondContact N-OG1 2.94Å; K172-T175 VanDerWaalsContact O-CB 3.29Å; K172-T175 WeakPolarHBondContact O-CB 3.46Å; K172-T175 PolarHBondContact O-N 2.03Å; K172-T175 PolarHBondContact O-OG1 3.23Å; T175-F177 HydrophobicContact CG2-CD1 4.27Å; T175-S274 VanDerWaalsContact O-CA 3.29Å; T175-S274 WeakPolarHBondContact O-CA 3.41Å; T175-A275 PolarHBondContact O-N 3.14Å
176	K	95.4	Very high	93.6	Very high	135 Å²	135	61.1 Å²	61.1	59%	0.587	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.7	177.8	-173.4	-179.5	-174.2	-176.7	0	109	T174 I272 V273	T174-K176 PolarHBondContact O-N 2.87Å; K176-I272 HydrophobicContact CD-CG2 4.19Å; K176-I272 HydrophobicContact CG-CG2 4.03Å; K176-V273 CarbonylContact C-O 3.21Å; K176-V273 VanDerWaalsContact CA-O 3.28Å; K176-V273 WeakPolarHBondContact CA-O 3.48Å
177	F	95.9	Very high	93.2	Very high	32 Å²	32	56.6 Å²	56.6	14%	0.14	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	165.9	172.8	53.9	-93	0	0	0	109.7	H168 L170 T175 L179 I198 V273	H168-F177 HydrophobicContact CB-CD1 4.3Å; H168-F177 HydrophobicContact CB-CD2 4.09Å; H168-F177 HydrophobicContact CB-CE1 3.72Å; H168-F177 HydrophobicContact CB-CE2 3.47Å; H168-F177 VanDerWaalsContact CB-CE2 3.47Å; H168-F177 HydrophobicContact CB-CG 4.48Å; H168-F177 HydrophobicContact CB-CZ 3.28Å; H168-F177 AromaticContact CE1-CD2 3.96Å; H168-F177 AromaticContact CG-CD2 3.78Å; H168-F177 AromaticContact CG-CE2 3.54Å; H168-F177 AromaticContact CG-CZ 3.9Å; H168-F177 AromaticContact ND1-CD2 3.33Å; H168-F177 VanDerWaalsContact ND1-CD2 3.33Å; H168-F177 WeakPolarHBondContact ND1-CD2 3.23Å; H168-F177 AromaticContact ND1-CE2 3.62Å; H168-F177 AromaticContact ND1-CG 3.63Å; L170-F177 HydrophobicContact CD2-CE1 3.7Å; L170-F177 HydrophobicContact CD2-CZ 4.43Å; L170-F177 HydrophobicContact CG-CE1 4.4Å; T175-F177 HydrophobicContact CG2-CD1 4.27Å; F177-L179 HydrophobicContact CD2-CD2 3.96Å; F177-L179 HydrophobicContact CE2-CD2 3.92Å; F177-L179 HydrophobicContact CE2-CG 4.48Å; F177-I198 HydrophobicContact CE2-CG1 4.2Å; F177-I198 HydrophobicContact CZ-CG1 4.06Å; F177-I198 HydrophobicContact CZ-CG2 3.99Å; F177-V273 HydrophobicContact CD2-CB 3.97Å; F177-V273 HydrophobicContact CD2-CG2 4.41Å; F177-V273 HydrophobicContact CE1-CB 4.36Å; F177-V273 HydrophobicContact CE1-CG1 4.18Å; F177-V273 HydrophobicContact CE2-CB 3.48Å; F177-V273 VanDerWaalsContact CE2-CB 3.48Å; F177-V273 HydrophobicContact CE2-CG1 3.79Å; F177-V273 HydrophobicContact CE2-CG2 3.87Å; F177-V273 HydrophobicContact CZ-CB 3.69Å; F177-V273 HydrophobicContact CZ-CG1 3.49Å; F177-V273 VanDerWaalsContact CZ-CG1 3.49Å; F177-V273 HydrophobicContact CZ-CG2 4.43Å; F177-V273 PolarHBondContact N-O 2.89Å; F177-V273 PolarHBondContact O-N 2.74Å
178	T	95.7	Very high	92.8	Very high	57 Å²	57	49.8 Å²	49.8	35%	0.35	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.1	-177.7	-50.5	0	0	0	0	109.4	V180 M270 I271 I272	T178-V180 HydrophobicContact CG2-CG1 3.81Å; T178-M270 HydrophobicContact CG2-CG 3.52Å; T178-M270 HydrophobicContact CG2-SD 4.3Å; T178-I271 CarbonylContact C-O 3.59Å; T178-I271 WeakPolarHBondContact CA-O 3.39Å; T178-I272 HydrophobicContact CG2-CG1 4.42Å
179	L	96	Very high	92.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.1	166.6	-49.3	-177	0	0	0	107.2	F177 W196 I198 V256 M270 I271 V273	F177-L179 HydrophobicContact CD2-CD2 3.96Å; F177-L179 HydrophobicContact CE2-CD2 3.92Å; F177-L179 HydrophobicContact CE2-CG 4.48Å; L179-W196 HydrophobicContact CB-CD2 4.32Å; L179-W196 HydrophobicContact CB-CZ2 4.37Å; L179-W196 HydrophobicContact CD1-CB 4.15Å; L179-W196 HydrophobicContact CD1-CD2 4.11Å; L179-W196 HydrophobicContact CD1-CE3 4.31Å; L179-W196 HydrophobicContact CD1-CG 4.07Å; L179-W196 HydrophobicContact CD2-CB 4.24Å; L179-W196 HydrophobicContact CD2-CD2 4.21Å; L179-W196 HydrophobicContact CD2-CG 3.76Å; L179-W196 HydrophobicContact CG-CD2 4.45Å; L179-W196 HydrophobicContact CG-CG 4.4Å; L179-I198 HydrophobicContact CD1-CD1 4.26Å; L179-V256 HydrophobicContact CD1-CG2 4.32Å; L179-M270 CarbonylContact O-C 3.52Å; L179-M270 WeakPolarHBondContact O-CA 2.99Å; L179-I271 HydrophobicContact CB-CB 4.28Å; L179-I271 PolarHBondContact N-O 2.89Å; L179-I271 PolarHBondContact O-N 2.76Å; L179-V273 HydrophobicContact CD1-CG2 3.96Å; L179-V273 HydrophobicContact CG-CG2 3.99Å
180	V	95	Very high	91.5	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.2	178.4	-63.5	0	0	0	0	110.2	V160 S162 T178 W184 W196 I269 M270	V160-V180 HydrophobicContact CB-CG2 4.06Å; V160-V180 HydrophobicContact CG1-CG2 3.89Å; S162-V180 VanDerWaalsContact CB-O 3.25Å; S162-V180 WeakPolarHBondContact CB-O 3.46Å; S162-V180 PolarHBondContact OG-O 2.89Å; T178-V180 HydrophobicContact CG2-CG1 3.81Å; V180-W184 HydrophobicContact CB-CB 3.72Å; V180-W184 HydrophobicContact CB-CD2 3.98Å; V180-W184 HydrophobicContact CB-CE3 4.18Å; V180-W184 HydrophobicContact CB-CG 3.74Å; V180-W184 HydrophobicContact CG1-CB 4.45Å; V180-W184 HydrophobicContact CG1-CD2 3.97Å; V180-W184 HydrophobicContact CG1-CE3 4.36Å; V180-W184 HydrophobicContact CG1-CG 3.94Å; V180-W184 HydrophobicContact CG2-CB 3.72Å; V180-W184 HydrophobicContact CG2-CG 4.07Å; V180-W196 WeakPolarHBondContact O-CZ2 3.24Å; V180-I269 CarbonylContact C-O 3.6Å; V180-I269 WeakPolarHBondContact CA-O 3.43Å; V180-M270 HydrophobicContact CG1-CB 4.42Å; V180-M270 HydrophobicContact CG1-CE 4.36Å; V180-M270 HydrophobicContact CG1-CG 4.15Å
181	S	93.3	Very high	91.1	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.			trans	-54.1	155.1	172.8	49.3	0	0	0	0	111.5	S162 W184 R268 I269	S162-S181 VanDerWaalsContact OG-C 3.24Å; S162-S181 PolarHBondContact OG-O 3.4Å; S181-W184 PolarHBondContact O-N 3.48Å; S181-R268 WeakPolarHBondContact OG-CA 3.32Å; S181-I269 PolarHBondContact N-O 3.45Å; S181-I269 PolarHBondContact OG-N 3.3Å
182	P	92.4	Very high	91	Very high	21 Å²	21	51.2 Å²	51.2	14%	0.136	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	143.4	163.7	-27.4	36.9	0	0	0	111.2	S162 W184 P188 C194 Y258	S162-P182 WeakPolarHBondContact OG-CA 3.43Å; P182-W184 VanDerWaalsContact C-N 3.26Å; P182-W184 PolarHBondContact O-N 2.8Å; P182-P188 HydrophobicContact CB-CB 4.29Å; P182-P188 WeakPolarHBondContact O-CB 3.22Å; P182-C194 HydrophobicContact CG-CB 3.89Å; P182-Y258 HydrophobicContact CG-CE1 4.44Å
183	N	89.5	Confident	91	Very high	86 Å²	86	49.7 Å²	49.7	46%	0.46	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	11.8	178.1	-156.5	33.6	0	0	0	116.6	L186 E187	N183-L186 CarbonylContact C-O 3.48Å; N183-L186 WeakPolarHBondContact O-CA 3.38Å; N183-L186 WeakPolarHBondContact O-CB 3.46Å; N183-L186 PolarHBondContact O-N 2.82Å; N183-E187 PolarHBondContact ND2-O 3.11Å
184	W	91.3	Very high	91.2	Very high	20 Å²	20	47.1 Å²	47.1	8%	0.076	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	135.1	177.3	-177.9	-80.8	0	0	0	113	F159 V160 V180 S181 P182 H215 R268 M270	F159-W184 WeakPolarHBondContact CA-O 3.46Å; F159-W184 WeakPolarHBondContact CD1-O 3.24Å; V160-W184 PolarHBondContact N-O 3.35Å; V180-W184 HydrophobicContact CB-CB 3.72Å; V180-W184 HydrophobicContact CB-CD2 3.98Å; V180-W184 HydrophobicContact CB-CE3 4.18Å; V180-W184 HydrophobicContact CB-CG 3.74Å; V180-W184 HydrophobicContact CG1-CB 4.45Å; V180-W184 HydrophobicContact CG1-CD2 3.97Å; V180-W184 HydrophobicContact CG1-CE3 4.36Å; V180-W184 HydrophobicContact CG1-CG 3.94Å; V180-W184 HydrophobicContact CG2-CB 3.72Å; V180-W184 HydrophobicContact CG2-CG 4.07Å; S181-W184 PolarHBondContact O-N 3.48Å; P182-W184 VanDerWaalsContact C-N 3.26Å; P182-W184 PolarHBondContact O-N 2.8Å; W184-H215 HydrophobicContact CH2-CB 3.73Å; W184-H215 AromaticContact CH2-CG 3.72Å; W184-H215 HydrophobicContact CZ3-CB 4.11Å; W184-R268 HydrophobicContact CE3-CB 4.09Å; W184-R268 HydrophobicContact CZ3-CB 3.77Å; W184-M270 HydrophobicContact CD2-CE 4.34Å; W184-M270 VanDerWaalsContact CE2-CE 3.44Å; W184-M270 HydrophobicContact CH2-CB 3.94Å; W184-M270 HydrophobicContact CH2-CE 3.79Å; W184-M270 HydrophobicContact CZ2-CB 4.47Å; W184-M270 HydrophobicContact CZ2-CE 3.15Å; W184-M270 HydrophobicContact CZ3-CB 3.95Å
185	P	89.2	Confident	91.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.8	9.5	10.2	38	-39.3	0	0	0	115.3	A156 R268	A156-P185 HydrophobicContact CB-CB 3.96Å; A156-P185 HydrophobicContact CB-CG 3.76Å; A156-P185 VanDerWaalsContact O-CB 3.24Å; A156-P185 WeakPolarHBondContact O-CB 3.37Å; P185-R268 WeakPolarHBondContact O-CD 3.04Å; P185-R268 PolarHBondContact O-NH1 3.25Å
186	L	87	Confident	91.5	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.037	23%	0.234	C	C	.	.	S	Bend	trans	-90.7	167.5	-178.7	-55.4	175.7	0	0	0	111.1	N78 A79 G125 F159 N183 R268	N78-L186 WeakPolarHBondContact O-CD2 3.26Å; A79-L186 HydrophobicContact CB-CD2 4.24Å; G125-L186 VanDerWaalsContact O-CD1 3.28Å; G125-L186 WeakPolarHBondContact O-CD1 3.27Å; F159-L186 HydrophobicContact CE1-CD1 3.73Å; F159-L186 HydrophobicContact CE1-CG 4.11Å; F159-L186 HydrophobicContact CZ-CD1 3.89Å; F159-L186 HydrophobicContact CZ-CG 4.38Å; N183-L186 CarbonylContact C-O 3.48Å; N183-L186 WeakPolarHBondContact O-CA 3.38Å; N183-L186 WeakPolarHBondContact O-CB 3.46Å; N183-L186 PolarHBondContact O-N 2.82Å; L186-R268 WeakPolarHBondContact O-CG 3.36Å
187	E	84.8	Confident	91.6	Very high	40 Å²	40	38.7 Å²	38.7	19%	0.187	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-59.5	137.2	177.5	-72.2	-57.1	136.7	0	0	111.2	N183 D266 Q267 R268	N183-E187 PolarHBondContact ND2-O 3.11Å; E187-D266 WeakPolarHBondContact OE1-CA 3.43Å; E187-D266 VanDerWaalsContact OE1-OD1 3.09Å; E187-Q267 PolarHBondContact OE2-N 2.72Å; E187-R268 WeakPolarHBondContact OE1-CD 3.07Å; E187-R268 WeakPolarHBondContact OE1-CG 3.32Å; E187-R268 IonicContact OE1-CZ 3.8Å; E187-R268 IonicContact OE1-NE 3.98Å; E187-R268 PolarHBondContact OE1-NE 2.84Å; E187-R268 VanDerWaalsContact OE1-NE 3.16Å
188	P	87.9	Confident	91.7	Very high	11 Å²	11	37.1 Å²	37.1	7%	0.071	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-67.1	148.1	171.5	18.8	-16.7	0	0	0	110.6	P182 S192 Y258 A260 Q267	P182-P188 HydrophobicContact CB-CB 4.29Å; P182-P188 WeakPolarHBondContact O-CB 3.22Å; P188-S192 VanDerWaalsContact CB-OG 3.28Å; P188-S192 WeakPolarHBondContact CB-OG 3.21Å; P188-Y258 HydrophobicContact CG-CE1 4.42Å; P188-Y258 WeakPolarHBondContact CG-OH 3.43Å; P188-A260 HydrophobicContact CB-CB 4.18Å; P188-A260 HydrophobicContact CG-CB 4.14Å; P188-Q267 HydrophobicContact CG-CB 3.94Å
189	A	83.3	Confident	91.8	Very high	68 Å²	68	36.7 Å²	36.7	56%	0.562	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-59.9	147.9	170.9	0	0	0	0	0	110.8	H191 S192	A189-H191 PolarHBondContact O-N 2.92Å; A189-S192 WeakPolarHBondContact O-CB 3.21Å; A189-S192 PolarHBondContact O-N 3.18Å; A189-S192 PolarHBondContact O-OG 3.43Å
190	K	82	Confident	91.7	Very high	147 Å²	147	36.8 Å²	36.8	64%	0.639	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	137.2	175.9	-163.5	-176.5	-179.6	176.2	0	110	S192	K190-S192 PolarHBondContact O-N 2.91Å
191	H	87.3	Confident	91.7	Very high	114 Å²	114	39.4 Å²	39.4	53%	0.528	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	12.3	-175.6	-51.3	-64.6	0	0	0	115.3	A189 T193 A260	A189-H191 PolarHBondContact O-N 2.92Å; H191-T193 PolarHBondContact O-N 3.34Å; H191-A260 WeakPolarHBondContact CA-O 3.39Å; H191-A260 PolarHBondContact N-O 3.16Å
192	S	90.8	Very high	91.8	Very high	23 Å²	23	40.6 Å²	40.6	16%	0.161	23%	0.227	C	C	.	.			trans	-65.3	134.3	172.2	62.4	0	0	0	0	110.5	P188 A189 K190 E259 A260	P188-S192 VanDerWaalsContact CB-OG 3.28Å; P188-S192 WeakPolarHBondContact CB-OG 3.21Å; A189-S192 WeakPolarHBondContact O-CB 3.21Å; A189-S192 PolarHBondContact O-N 3.18Å; A189-S192 PolarHBondContact O-OG 3.43Å; K190-S192 PolarHBondContact O-N 2.91Å; S192-E259 WeakPolarHBondContact O-CA 3.12Å; S192-A260 PolarHBondContact O-N 2.83Å; S192-A260 WeakPolarHBondContact OG-CB 3.32Å
193	T	94.8	Very high	91.6	Very high	90 Å²	90	41.3 Å²	41.3	55%	0.552	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.1	179.1	53.8	0	0	0	0	110.4	H191 Y258 E259	H191-T193 PolarHBondContact O-N 3.34Å; T193-Y258 CarbonylContact C-O 3.54Å; T193-Y258 VanDerWaalsContact CA-O 3.23Å; T193-Y258 WeakPolarHBondContact CA-O 3.47Å; T193-E259 HydrophobicContact CG2-CB 4.06Å; T193-E259 HydrophobicContact CG2-CG 3.8Å
194	C	96.2	Very high	91.5	Very high	3 Å²	3	46 Å²	46	2%	0.02	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	133.2	176.8	-165.1	0	0	0	0	110.1	C164 P182 W196 Y258	C164-C194 WeakPolarHBondContact CA-SG 3.21Å; C164-C194 HydrophobicContact CB-CB 4.06Å; C164-C194 WeakPolarHBondContact CB-SG 3.04Å; C164-C194 WeakPolarHBondContact SG-CB 3.5Å; C164-C194 CovalentContact SG-SG 2.03Å; C164-C194 PolarHBondContact SG-SG 2.88Å; P182-C194 HydrophobicContact CG-CB 3.89Å; C194-W196 HydrophobicContact CB-CH2 3.78Å; C194-W196 HydrophobicContact CB-CZ2 4.04Å; C194-W196 HydrophobicContact CB-CZ3 4.24Å; C194-W196 VanDerWaalsContact SG-CE2 3.52Å; C194-W196 VanDerWaalsContact SG-CH2 3.52Å; C194-W196 WeakPolarHBondContact SG-CZ2 3.04Å; C194-Y258 HydrophobicContact CB-CD1 4.32Å; C194-Y258 PolarHBondContact N-O 2.99Å; C194-Y258 WeakPolarHBondContact O-CB 3.15Å; C194-Y258 PolarHBondContact O-N 2.86Å
195	S	97.2	Very high	91.4	Very high	52 Å²	52	48.7 Å²	48.7	36%	0.364	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.8	179.4	-64.2	0	0	0	0	111.1	G165 V256 D257	G165-S195 WeakPolarHBondContact CA-O 3.21Å; G165-S195 PolarHBondContact N-O 3.38Å; S195-V256 CarbonylContact C-O 3.59Å; S195-V256 WeakPolarHBondContact CA-O 3.39Å; S195-D257 WeakPolarHBondContact CB-OD1 2.87Å; S195-D257 PolarHBondContact OG-OD1 3.12Å
196	W	97.3	Very high	91.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.3	174.7	-58.1	-83.5	0	0	0	110.7	S162 H168 L179 V180 C194 S255 V256 I269	S162-W196 PolarHBondContact O-NE1 3.3Å; H168-W196 AromaticContact NE2-CD1 3.88Å; L179-W196 HydrophobicContact CB-CD2 4.32Å; L179-W196 HydrophobicContact CB-CZ2 4.37Å; L179-W196 HydrophobicContact CD1-CB 4.15Å; L179-W196 HydrophobicContact CD1-CD2 4.11Å; L179-W196 HydrophobicContact CD1-CE3 4.31Å; L179-W196 HydrophobicContact CD1-CG 4.07Å; L179-W196 HydrophobicContact CD2-CB 4.24Å; L179-W196 HydrophobicContact CD2-CD2 4.21Å; L179-W196 HydrophobicContact CD2-CG 3.76Å; L179-W196 HydrophobicContact CG-CD2 4.45Å; L179-W196 HydrophobicContact CG-CG 4.4Å; V180-W196 WeakPolarHBondContact O-CZ2 3.24Å; C194-W196 HydrophobicContact CB-CH2 3.78Å; C194-W196 HydrophobicContact CB-CZ2 4.04Å; C194-W196 HydrophobicContact CB-CZ3 4.24Å; C194-W196 VanDerWaalsContact SG-CE2 3.52Å; C194-W196 VanDerWaalsContact SG-CH2 3.52Å; C194-W196 WeakPolarHBondContact SG-CZ2 3.04Å; W196-S255 CarbonylContact O-C 3.23Å; W196-S255 VanDerWaalsContact O-CA 3.29Å; W196-S255 WeakPolarHBondContact O-CA 3.31Å; W196-V256 HydrophobicContact CB-CB 4.48Å; W196-V256 HydrophobicContact CE3-CB 4.03Å; W196-V256 HydrophobicContact CE3-CG1 3.9Å; W196-V256 HydrophobicContact CZ3-CG1 4.24Å; W196-V256 PolarHBondContact N-O 3.45Å; W196-V256 PolarHBondContact O-N 2.77Å; W196-I269 HydrophobicContact CH2-CD1 4.26Å; W196-I269 HydrophobicContact CZ3-CD1 4.33Å
197	T	97.6	Very high	91.6	Very high	34 Å²	34	55.1 Å²	55.1	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.1	168.3	-49.4	0	0	0	0	109.3	R166 R167 H168 L254	R166-T197 PolarHBondContact O-N 2.83Å; R167-T197 CarbonylContact C-O 3.08Å; R167-T197 WeakPolarHBondContact CA-O 3.09Å; H168-T197 PolarHBondContact N-O 3.11Å; T197-L254 CarbonylContact C-O 3.45Å; T197-L254 WeakPolarHBondContact CA-O 3.47Å
198	I	97.5	Very high	91.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109.3	178.5	-57.6	155.3	0	0	0	108.3	H168 L170 F177 L179 V209 M211 S253 L254 V256 V273	H168-I198 CarbonylContact O-C 3.55Å; H168-I198 WeakPolarHBondContact O-CA 3.43Å; L170-I198 HydrophobicContact CD1-CG2 4.35Å; L170-I198 HydrophobicContact CG-CG2 4.38Å; F177-I198 HydrophobicContact CE2-CG1 4.2Å; F177-I198 HydrophobicContact CZ-CG1 4.06Å; F177-I198 HydrophobicContact CZ-CG2 3.99Å; L179-I198 HydrophobicContact CD1-CD1 4.26Å; I198-V209 HydrophobicContact CG2-CG1 4.12Å; I198-V209 HydrophobicContact CG2-CG2 4.42Å; I198-M211 HydrophobicContact CD1-CE 3.38Å; I198-S253 WeakPolarHBondContact O-CA 3.33Å; I198-L254 HydrophobicContact CB-CB 4.28Å; I198-L254 HydrophobicContact CD1-CB 4.39Å; I198-L254 PolarHBondContact N-O 2.7Å; I198-L254 PolarHBondContact O-N 3.24Å; I198-V256 HydrophobicContact CD1-CG2 4.12Å; I198-V273 HydrophobicContact CD1-CG1 3.99Å; I198-V273 HydrophobicContact CD1-CG2 4.06Å; I198-V273 HydrophobicContact CG1-CG1 4.46Å; I198-V273 HydrophobicContact CG2-CG1 4.12Å
199	E	96.7	Very high	92.2	Very high	48 Å²	48	55 Å²	55	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.1	173.2	-64.8	-176	155.4	0	0	110.7	R167 H168 R169 L170 P201	R167-E199 IonicContact CZ-OE1 3.77Å; R167-E199 IonicContact NE-OE1 3.44Å; R167-E199 IonicContact NH1-OE1 3.9Å; R167-E199 PolarHBondContact NH1-OE1 3.21Å; R167-E199 IonicContact NH2-OE1 3.29Å; R167-E199 PolarHBondContact NH2-OE1 2.72Å; H168-E199 PolarHBondContact O-N 3.5Å; R169-E199 CarbonylContact C-O 3.57Å; R169-E199 WeakPolarHBondContact CA-O 3.28Å; R169-E199 HydrophobicContact CB-CB 4.35Å; R169-E199 WeakPolarHBondContact CD-OE2 3.47Å; R169-E199 HydrophobicContact CG-CB 4.03Å; R169-E199 IonicContact NE-OE2 3.16Å; L170-E199 PolarHBondContact N-O 2.65Å; E199-P201 VanDerWaalsContact O-CD 3.31Å; E199-P201 WeakPolarHBondContact O-CD 3.28Å
200	N	95.9	Very high	92.7	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	28%	0.278	C	S	.	.			trans	-117.1	84.5	177.5	-178.5	24.6	0	0	0	110.9	L170 L202 D203 Y207 V209 S251 S252	L170-N200 HydrophobicContact CD1-CB 4.12Å; N200-L202 PolarHBondContact O-N 3.48Å; N200-L202 VanDerWaalsContact O-N 3.14Å; N200-L202 PolarHBondContact OD1-N 3.1Å; N200-D203 PolarHBondContact O-N 2.76Å; N200-Y207 PolarHBondContact ND2-O 3.17Å; N200-V209 HydrophobicContact CB-CG2 3.77Å; N200-S251 VanDerWaalsContact CB-O 3.24Å; N200-S251 WeakPolarHBondContact CB-O 3.3Å; N200-S251 PolarHBondContact ND2-O 3.27Å; N200-S252 PolarHBondContact N-O 2.94Å
201	P	94.9	Very high	93.2	Very high	57 Å²	57	46.4 Å²	46.4	37%	0.37	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-4.6	175.2	32.1	-37.2	0	0	0	113.1	R169 L170 E199	R169-P201 HydrophobicContact CG-CG 4.09Å; L170-P201 WeakPolarHBondContact O-CD 3.39Å; L170-P201 WeakPolarHBondContact O-CG 3.33Å; E199-P201 VanDerWaalsContact O-CD 3.31Å; E199-P201 WeakPolarHBondContact O-CD 3.28Å
202	L	93.5	Very high	93.4	Very high	25 Å²	25	43 Å²	43	13%	0.131	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.8	-178.5	-54.9	172.5	0	0	0	112.7	L170 N200 E204 S205 N206 Y207 A275	L170-L202 VanDerWaalsContact O-CD1 3.24Å; L170-L202 WeakPolarHBondContact O-CD1 3.01Å; L170-L202 WeakPolarHBondContact O-CG 3.11Å; N200-L202 PolarHBondContact O-N 3.48Å; N200-L202 VanDerWaalsContact O-N 3.14Å; N200-L202 PolarHBondContact OD1-N 3.1Å; L202-E204 VanDerWaalsContact C-N 3.3Å; L202-E204 PolarHBondContact O-N 3.27Å; L202-S205 CarbonylContact O-C 3.56Å; L202-S205 WeakPolarHBondContact O-CA 3.17Å; L202-S205 WeakPolarHBondContact O-CB 3.4Å; L202-S205 PolarHBondContact O-N 3.46Å; L202-N206 PolarHBondContact O-N 2.95Å; L202-Y207 HydrophobicContact CB-CD2 4.02Å; L202-Y207 HydrophobicContact CB-CG 4.06Å; L202-Y207 HydrophobicContact CD1-CG 4.43Å; L202-Y207 PolarHBondContact O-N 2.61Å; L202-Y207 VanDerWaalsContact O-N 3.13Å; L202-A275 HydrophobicContact CD1-CB 4.04Å
203	D	89.4	Confident	93.3	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.193	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-57	-43.1	-179.8	-175.8	48.4	0	0	0	111.9	N200 S205 N206 Y207 R250	N200-D203 PolarHBondContact O-N 2.76Å; D203-S205 PolarHBondContact O-N 2.81Å; D203-N206 WeakPolarHBondContact O-CA 3.3Å; D203-N206 PolarHBondContact O-N 3.28Å; D203-Y207 WeakPolarHBondContact CA-O 3.34Å; D203-R250 WeakPolarHBondContact OD1-CG 3.1Å
204	E	87.8	Confident	93.1	Very high	186 Å²	186	40.4 Å²	40.4	87%	0.869	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-60.7	-26.8	174.5	-64.7	-177.2	175.5	0	0	112.9	L202 N206	L202-E204 VanDerWaalsContact C-N 3.3Å; L202-E204 PolarHBondContact O-N 3.27Å; E204-N206 PolarHBondContact O-N 2.82Å
205	S	89.6	Confident	92.6	Very high	75 Å²	75	43 Å²	43	52%	0.524	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-88.1	17.1	174.6	-63.5	0	0	0	0	113.2	L202 D203 Y207	L202-S205 CarbonylContact O-C 3.56Å; L202-S205 WeakPolarHBondContact O-CA 3.17Å; L202-S205 WeakPolarHBondContact O-CB 3.4Å; L202-S205 PolarHBondContact O-N 3.46Å; D203-S205 PolarHBondContact O-N 2.81Å; S205-Y207 VanDerWaalsContact C-N 3.28Å; S205-Y207 WeakPolarHBondContact O-CD2 3.37Å; S205-Y207 PolarHBondContact O-N 2.84Å
206	N	87.1	Confident	92	Very high	99 Å²	99	41.8 Å²	41.8	53%	0.529	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	27.5	-177.3	-66.2	-41	0	0	0	114.8	L202 D203 E204	L202-N206 PolarHBondContact O-N 2.95Å; D203-N206 WeakPolarHBondContact O-CA 3.3Å; D203-N206 PolarHBondContact O-N 3.28Å; E204-N206 PolarHBondContact O-N 2.82Å
207	Y	91.7	Very high	91	Very high	44 Å²	44	44.4 Å²	44.4	17%	0.173	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.6	168.8	-74.8	-91.6	0	0	0	110.6	P173 N200 L202 D203 S205 A275 K277	P173-Y207 HydrophobicContact CB-CD1 4.35Å; P173-Y207 HydrophobicContact CB-CE1 3.5Å; P173-Y207 HydrophobicContact CB-CE2 4.39Å; P173-Y207 WeakPolarHBondContact CB-OH 3.47Å; P173-Y207 HydrophobicContact CG-CE1 3.9Å; P173-Y207 HydrophobicContact CG-CE2 3.85Å; P173-Y207 VanDerWaalsContact CG-CZ 3.43Å; P173-Y207 VanDerWaalsContact CG-OH 3.32Å; P173-Y207 WeakPolarHBondContact CG-OH 3.38Å; N200-Y207 PolarHBondContact ND2-O 3.17Å; L202-Y207 HydrophobicContact CB-CD2 4.02Å; L202-Y207 HydrophobicContact CB-CG 4.06Å; L202-Y207 HydrophobicContact CD1-CG 4.43Å; L202-Y207 PolarHBondContact O-N 2.61Å; L202-Y207 VanDerWaalsContact O-N 3.13Å; D203-Y207 WeakPolarHBondContact CA-O 3.34Å; S205-Y207 VanDerWaalsContact C-N 3.28Å; S205-Y207 WeakPolarHBondContact O-CD2 3.37Å; S205-Y207 PolarHBondContact O-N 2.84Å; Y207-A275 HydrophobicContact CD1-CB 4.17Å; Y207-K277 HydrophobicContact CD1-CG 4.06Å; Y207-K277 HydrophobicContact CE1-CG 3.74Å; Y207-K277 HydrophobicContact CE2-CG 4.45Å; Y207-K277 WeakPolarHBondContact OH-CE 3.33Å
208	W	92.2	Very high	89.7	Confident	48 Å²	48	44.3 Å²	44.3	18%	0.182	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	154.5	178.4	-65	42	0	0	0	108.8	K210 F249 R250 A276 N278	W208-K210 PolarHBondContact O-N 2.77Å; W208-F249 WeakPolarHBondContact CA-O 3.5Å; W208-F249 WeakPolarHBondContact CB-O 3.47Å; W208-R250 HydrophobicContact CD2-CB 3.92Å; W208-R250 HydrophobicContact CE3-CB 3.97Å; W208-R250 HydrophobicContact CH2-CB 4.15Å; W208-R250 HydrophobicContact CZ2-CB 4.07Å; W208-R250 HydrophobicContact CZ2-CG 4.46Å; W208-R250 HydrophobicContact CZ3-CB 4.09Å; W208-A276 PolarHBondContact N-O 3.09Å; W208-A276 PolarHBondContact O-N 3.41Å; W208-N278 HydrophobicContact CB-CB 4.2Å; W208-N278 HydrophobicContact CD2-CB 3.83Å; W208-N278 HydrophobicContact CE3-CB 4.15Å; W208-N278 HydrophobicContact CG-CB 3.87Å
209	V	94.3	Very high	88.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	114.4	167.7	-172.1	0	0	0	0	107.9	L170 I198 N200 M211 Y248 F249 L254 V273	L170-V209 HydrophobicContact CD1-CB 4.33Å; L170-V209 HydrophobicContact CD1-CG1 4.21Å; L170-V209 HydrophobicContact CD1-CG2 3.81Å; I198-V209 HydrophobicContact CG2-CG1 4.12Å; I198-V209 HydrophobicContact CG2-CG2 4.42Å; N200-V209 HydrophobicContact CB-CG2 3.77Å; V209-M211 HydrophobicContact CG1-CG 4.43Å; V209-Y248 CarbonylContact O-C 3.55Å; V209-Y248 WeakPolarHBondContact O-CA 3.24Å; V209-F249 HydrophobicContact CB-CB 4.38Å; V209-F249 PolarHBondContact N-O 2.86Å; V209-F249 PolarHBondContact O-N 3.23Å; V209-L254 HydrophobicContact CB-CD1 3.69Å; V209-L254 HydrophobicContact CG1-CD1 3.68Å; V209-L254 HydrophobicContact CG2-CD1 3.94Å; V209-V273 HydrophobicContact CG1-CG1 3.65Å
210	K	93	Very high	87.7	Confident	36 Å²	36	42.9 Å²	42.9	16%	0.157	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.7	170.5	-178.8	-165.9	179.3	-148.8	0	108.7	W208 E212 I246 R247 Y248 V273 S274 A276	W208-K210 PolarHBondContact O-N 2.77Å; K210-E212 IonicContact NZ-OE2 3.53Å; K210-E212 PolarHBondContact NZ-OE2 3.35Å; K210-I246 HydrophobicContact CD-CG2 4.26Å; K210-I246 VanDerWaalsContact CE-CG2 3.41Å; K210-I246 HydrophobicContact CG-CG2 3.87Å; K210-R247 WeakPolarHBondContact CA-O 3.45Å; K210-Y248 HydrophobicContact CB-CD1 3.86Å; K210-Y248 HydrophobicContact CB-CE1 3.74Å; K210-Y248 HydrophobicContact CD-CE1 4.01Å; K210-Y248 HydrophobicContact CG-CD1 4.07Å; K210-Y248 HydrophobicContact CG-CE1 3.61Å; K210-V273 CarbonylContact O-C 3.51Å; K210-V273 WeakPolarHBondContact O-CA 3.48Å; K210-S274 PolarHBondContact N-O 3.14Å; K210-S274 PolarHBondContact O-N 3.27Å; K210-A276 HydrophobicContact CB-CB 3.82Å; K210-A276 HydrophobicContact CD-CB 4.35Å
211	M	93.7	Very high	86.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.6	167.8	-67.7	-175.6	135.7	0	0	109.5	I198 V209 F213 I226 I246 R247 F249 V256 I271 I272 V273	I198-M211 HydrophobicContact CD1-CE 3.38Å; V209-M211 HydrophobicContact CG1-CG 4.43Å; M211-F213 HydrophobicContact CB-CE2 4.42Å; M211-F213 HydrophobicContact CB-CZ 4.37Å; M211-I226 HydrophobicContact CE-CD1 4.49Å; M211-I226 HydrophobicContact SD-CD1 3.92Å; M211-I246 CarbonylContact O-C 3.51Å; M211-I246 VanDerWaalsContact O-CA 3.31Å; M211-I246 WeakPolarHBondContact O-CA 3.34Å; M211-R247 PolarHBondContact N-O 2.99Å; M211-R247 PolarHBondContact O-N 3Å; M211-F249 HydrophobicContact CB-CE2 4.2Å; M211-F249 HydrophobicContact CG-CD2 4.34Å; M211-F249 HydrophobicContact CG-CE2 3.95Å; M211-F249 HydrophobicContact SD-CD2 4.24Å; M211-F249 HydrophobicContact SD-CE2 3.55Å; M211-F249 VanDerWaalsContact SD-CE2 3.55Å; M211-F249 HydrophobicContact SD-CZ 4.13Å; M211-V256 HydrophobicContact CE-CG2 3.4Å; M211-V256 VanDerWaalsContact CE-CG2 3.4Å; M211-I271 HydrophobicContact CB-CG2 4.08Å; M211-I271 HydrophobicContact CG-CG2 4.39Å; M211-I272 CarbonylContact C-O 3.57Å; M211-I272 WeakPolarHBondContact CA-O 3.24Å; M211-V273 HydrophobicContact CE-CG2 4.08Å; M211-V273 HydrophobicContact CG-CG2 4.33Å
212	E	91.2	Very high	86.2	Confident	43 Å²	43	45.4 Å²	45.4	20%	0.201	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	109.7	175.3	177.2	174.3	171.1	0	0	108.2	K210 V214 R245 I246 I271 I272	K210-E212 IonicContact NZ-OE2 3.53Å; K210-E212 PolarHBondContact NZ-OE2 3.35Å; E212-V214 HydrophobicContact CG-CG2 4.22Å; E212-V214 PolarHBondContact O-N 3.45Å; E212-R245 CarbonylContact C-O 3.54Å; E212-R245 WeakPolarHBondContact CA-O 3.24Å; E212-I246 HydrophobicContact CB-CG1 4.3Å; E212-I246 HydrophobicContact CG-CG1 4.09Å; E212-I271 CarbonylContact O-C 3.6Å; E212-I271 WeakPolarHBondContact O-CA 3.04Å; E212-I272 HydrophobicContact CB-CB 4.18Å; E212-I272 PolarHBondContact N-O 2.93Å; E212-I272 PolarHBondContact O-N 3.33Å
213	F	89.1	Confident	85.9	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	105.1	179.4	-55.9	-81.3	0	0	0	108.1	M211 M216 I226 F243 R245 R247 I271	M211-F213 HydrophobicContact CB-CE2 4.42Å; M211-F213 HydrophobicContact CB-CZ 4.37Å; F213-M216 HydrophobicContact CB-CE 3.95Å; F213-M216 HydrophobicContact CD1-CE 3Å; F213-M216 HydrophobicContact CD1-SD 4.43Å; F213-M216 HydrophobicContact CE1-CE 3.47Å; F213-M216 VanDerWaalsContact CE1-CE 3.47Å; F213-M216 HydrophobicContact CG-CE 3.6Å; F213-M216 HydrophobicContact CZ-CE 4.41Å; F213-I226 HydrophobicContact CZ-CD1 4.44Å; F213-F243 HydrophobicContact CB-CE2 3.49Å; F213-F243 VanDerWaalsContact CB-CE2 3.49Å; F213-F243 HydrophobicContact CB-CZ 3.88Å; F213-F243 HydrophobicContact CD1-CE2 4.45Å; F213-F243 HydrophobicContact CD2-CD2 4.12Å; F213-F243 AromaticContact CD2-CE2 3.6Å; F213-F243 HydrophobicContact CD2-CE2 3.6Å; F213-F243 HydrophobicContact CE2-CE2 4.41Å; F213-F243 AromaticContact CG-CE2 3.61Å; F213-F243 HydrophobicContact CG-CE2 3.61Å; F213-F243 HydrophobicContact CG-CZ 4.39Å; F213-R245 WeakPolarHBondContact CD2-O 3.36Å; F213-R245 PolarHBondContact N-O 3.17Å; F213-R245 WeakPolarHBondContact O-CG 3.37Å; F213-R245 PolarHBondContact O-NE 2.82Å; F213-R247 HydrophobicContact CE2-CB 4.21Å; F213-R247 HydrophobicContact CE2-CG 3.88Å; F213-I271 HydrophobicContact CD1-CB 4.41Å; F213-I271 HydrophobicContact CD1-CD1 3.82Å; F213-I271 HydrophobicContact CD1-CG1 3.76Å; F213-I271 HydrophobicContact CD1-CG2 3.96Å; F213-I271 HydrophobicContact CE1-CD1 3.71Å; F213-I271 HydrophobicContact CE1-CG1 4.16Å; F213-I271 HydrophobicContact CE1-CG2 4.14Å
214	V	88.5	Confident	85.9	Confident	54 Å²	54	43.3 Å²	43.3	33%	0.327	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-44.8	-173.1	178.8	0	0	0	0	111.1	E212 M270 I272	E212-V214 HydrophobicContact CG-CG2 4.22Å; E212-V214 PolarHBondContact O-N 3.45Å; V214-M270 HydrophobicContact CB-CB 4.37Å; V214-M270 HydrophobicContact CB-CG 4.13Å; V214-M270 HydrophobicContact CB-SD 3.97Å; V214-M270 HydrophobicContact CG1-SD 3.89Å; V214-M270 PolarHBondContact N-O 2.92Å; V214-I272 HydrophobicContact CG2-CB 4.28Å; V214-I272 HydrophobicContact CG2-CD1 3.53Å; V214-I272 HydrophobicContact CG2-CG1 3.69Å
215	H	86.9	Confident	86.1	Confident	58 Å²	58	40.7 Å²	40.7	27%	0.269	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.4	175.4	-167	106.7	0	0	0	107.3	W184 D266 I269 M270	W184-H215 HydrophobicContact CH2-CB 3.73Å; W184-H215 AromaticContact CH2-CG 3.72Å; W184-H215 HydrophobicContact CZ3-CB 4.11Å; H215-D266 IonicContact CD2-OD2 2.76Å; H215-D266 IonicContact CE1-OD2 2.72Å; H215-D266 IonicContact NE2-OD1 3.69Å; H215-D266 IonicContact NE2-OD2 3.59Å; H215-D266 PolarHBondContact NE2-OD2 2.83Å; H215-I269 CarbonylContact O-C 3.59Å; H215-I269 VanDerWaalsContact O-CA 3.3Å; H215-I269 WeakPolarHBondContact O-CA 3.4Å; H215-M270 HydrophobicContact CB-CB 3.74Å; H215-M270 PolarHBondContact N-O 3.25Å; H215-M270 PolarHBondContact O-N 3.29Å
216	M	83.8	Confident	86.3	Confident	26 Å²	26	37.3 Å²	37.3	13%	0.128	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	119.2	173.5	-175.5	139.8	65	0	0	109.1	F213 A220 I221 L224 F243 I269	F213-M216 HydrophobicContact CB-CE 3.95Å; F213-M216 HydrophobicContact CD1-CE 3Å; F213-M216 HydrophobicContact CD1-SD 4.43Å; F213-M216 HydrophobicContact CE1-CE 3.47Å; F213-M216 VanDerWaalsContact CE1-CE 3.47Å; F213-M216 HydrophobicContact CG-CE 3.6Å; F213-M216 HydrophobicContact CZ-CE 4.41Å; M216-A220 HydrophobicContact CG-CB 4.38Å; M216-I221 HydrophobicContact CE-CG1 3.9Å; M216-I221 HydrophobicContact CG-CG1 3.67Å; M216-I221 HydrophobicContact SD-CG1 3.9Å; M216-L224 HydrophobicContact CE-CD1 3.84Å; M216-L224 HydrophobicContact SD-CD1 3.38Å; M216-L224 WeakPolarHBondContact SD-CD1 3.4Å; M216-L224 HydrophobicContact SD-CG 4.44Å; M216-F243 HydrophobicContact CB-CZ 4.13Å; M216-F243 HydrophobicContact CE-CE2 3.95Å; M216-F243 HydrophobicContact CE-CZ 4.02Å; M216-F243 HydrophobicContact CG-CZ 4.48Å; M216-I269 HydrophobicContact CG-CG2 4.13Å; M216-I269 HydrophobicContact SD-CB 4.33Å; M216-I269 HydrophobicContact SD-CG2 3.65Å
217	D	76.1	Confident	86.7	Confident	57 Å²	57	34.1 Å²	34.1	31%	0.305	16%	0.159	S	C	.	.			trans	-69.4	152	166	-169.6	-82	0	0	0	110.2	D219 A220 I221 S264	D217-D219 VanDerWaalsContact C-N 3.35Å; D217-D219 PolarHBondContact O-N 2.82Å; D217-D219 PolarHBondContact OD1-N 2.74Å; D217-A220 HydrophobicContact CB-CB 4.05Å; D217-A220 WeakPolarHBondContact O-CB 3.28Å; D217-A220 PolarHBondContact O-N 2.97Å; D217-I221 WeakPolarHBondContact O-CG1 3.34Å; D217-I221 PolarHBondContact O-N 3.17Å; D217-I221 VanDerWaalsContact O-N 3.17Å; D217-S264 PolarHBondContact OD1-OG 2.89Å
218	Y	71.2	Confident	86.8	Confident	32 Å²	32	33.5 Å²	33.5	13%	0.125	16%	0.159	C	C	.	.	H	α-helix	trans	-57.2	-46.6	175.8	171.3	-109.9	0	0	0	113	A220 I221 S236 S240 R241	Y218-A220 PolarHBondContact O-N 3.16Å; Y218-I221 HydrophobicContact CD2-CD1 3.99Å; Y218-I221 VanDerWaalsContact O-CB 3.24Å; Y218-I221 WeakPolarHBondContact O-CB 3.3Å; Y218-I221 WeakPolarHBondContact O-CG1 3.29Å; Y218-I221 PolarHBondContact O-N 2.8Å; Y218-S236 WeakPolarHBondContact CE2-OG 3.45Å; Y218-S240 WeakPolarHBondContact CE2-O 3.28Å; Y218-R241 HydrophobicContact CD1-CB 4.1Å; Y218-R241 HydrophobicContact CD1-CG 3.45Å; Y218-R241 VanDerWaalsContact CD1-CG 3.45Å; Y218-R241 HydrophobicContact CD2-CB 3.98Å; Y218-R241 HydrophobicContact CD2-CG 4.2Å; Y218-R241 WeakPolarHBondContact CD2-O 3.49Å; Y218-R241 HydrophobicContact CE1-CG 3.74Å; Y218-R241 VanDerWaalsContact CE2-CA 3.44Å; Y218-R241 HydrophobicContact CE2-CB 4.41Å; Y218-R241 HydrophobicContact CE2-CG 4.44Å; Y218-R241 HydrophobicContact CG-CB 3.7Å; Y218-R241 HydrophobicContact CG-CG 3.61Å
219	D	73.2	Confident	86.8	Confident	18 Å²	18	35.3 Å²	35.3	10%	0.096	17%	0.172	C	C	.	.	H	α-helix	trans	-70.4	-24	-178.2	-73.3	-49	0	0	0	110.4	D217 I221 K222 R241	D217-D219 VanDerWaalsContact C-N 3.35Å; D217-D219 PolarHBondContact O-N 2.82Å; D217-D219 PolarHBondContact OD1-N 2.74Å; D219-I221 VanDerWaalsContact C-N 3.34Å; D219-K222 WeakPolarHBondContact O-CB 3.12Å; D219-K222 PolarHBondContact O-N 3.43Å; D219-K222 IonicContact OD1-NZ 2.91Å; D219-K222 PolarHBondContact OD1-NZ 2.92Å; D219-R241 IonicContact OD2-CZ 3.25Å; D219-R241 IonicContact OD2-NH2 3.77Å; D219-R241 PolarHBondContact OD2-NH2 2.85Å
220	A	78.8	Confident	86.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-71.4	-21	168.2	0	0	0	0	0	113.8	M216 D217 Y218 K222 N223 I269	M216-A220 HydrophobicContact CG-CB 4.38Å; D217-A220 HydrophobicContact CB-CB 4.05Å; D217-A220 WeakPolarHBondContact O-CB 3.28Å; D217-A220 PolarHBondContact O-N 2.97Å; Y218-A220 PolarHBondContact O-N 3.16Å; A220-K222 VanDerWaalsContact C-N 3.26Å; A220-K222 PolarHBondContact O-N 3.4Å; A220-N223 VanDerWaalsContact O-CB 3.24Å; A220-N223 WeakPolarHBondContact O-CB 3.18Å; A220-N223 PolarHBondContact O-N 3.48Å; A220-N223 VanDerWaalsContact O-N 3.16Å; A220-I269 HydrophobicContact CB-CG2 4.32Å
221	I	79.7	Confident	86.6	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-34.1	173.9	-57.2	173.2	0	0	0	111.2	M216 D217 Y218 D219 N223 L224 I235 F243	M216-I221 HydrophobicContact CE-CG1 3.9Å; M216-I221 HydrophobicContact CG-CG1 3.67Å; M216-I221 HydrophobicContact SD-CG1 3.9Å; D217-I221 WeakPolarHBondContact O-CG1 3.34Å; D217-I221 PolarHBondContact O-N 3.17Å; D217-I221 VanDerWaalsContact O-N 3.17Å; Y218-I221 HydrophobicContact CD2-CD1 3.99Å; Y218-I221 VanDerWaalsContact O-CB 3.24Å; Y218-I221 WeakPolarHBondContact O-CB 3.3Å; Y218-I221 WeakPolarHBondContact O-CG1 3.29Å; Y218-I221 PolarHBondContact O-N 2.8Å; D219-I221 VanDerWaalsContact C-N 3.34Å; I221-N223 PolarHBondContact O-N 2.78Å; I221-N223 VanDerWaalsContact O-N 3.16Å; I221-L224 WeakPolarHBondContact O-CB 3.23Å; I221-L224 PolarHBondContact O-N 3.16Å; I221-I235 HydrophobicContact CG2-CD1 3.56Å; I221-I235 HydrophobicContact CG2-CG1 3.76Å; I221-F243 HydrophobicContact CD1-CB 3.97Å; I221-F243 HydrophobicContact CD1-CD1 3.11Å; I221-F243 HydrophobicContact CD1-CD2 4.13Å; I221-F243 HydrophobicContact CD1-CE1 3.49Å; I221-F243 VanDerWaalsContact CD1-CE1 3.49Å; I221-F243 HydrophobicContact CD1-CE2 4.42Å; I221-F243 HydrophobicContact CD1-CG 3.47Å; I221-F243 VanDerWaalsContact CD1-CG 3.47Å; I221-F243 HydrophobicContact CD1-CZ 4.14Å; I221-F243 HydrophobicContact CG1-CD1 4.34Å; I221-F243 HydrophobicContact CG1-CE1 4.31Å
222	K	79.9	Confident	86.5	Confident	108 Å²	108	49.9 Å²	49.9	47%	0.47	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.1	178.1	-63.2	171.2	-179	162.3	0	111.9	D219 A220 L224	D219-K222 WeakPolarHBondContact O-CB 3.12Å; D219-K222 PolarHBondContact O-N 3.43Å; D219-K222 IonicContact OD1-NZ 2.91Å; D219-K222 PolarHBondContact OD1-NZ 2.92Å; A220-K222 VanDerWaalsContact C-N 3.26Å; A220-K222 PolarHBondContact O-N 3.4Å; K222-L224 VanDerWaalsContact C-N 3.26Å; K222-L224 PolarHBondContact O-N 2.75Å
223	N	86.3	Confident	86.3	Confident	4 Å²	4	50 Å²	50	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.3	175	-62.5	-4.2	0	0	0	112.7	A220 I221 Y258 E259 H261 Q267	A220-N223 VanDerWaalsContact O-CB 3.24Å; A220-N223 WeakPolarHBondContact O-CB 3.18Å; A220-N223 PolarHBondContact O-N 3.48Å; A220-N223 VanDerWaalsContact O-N 3.16Å; I221-N223 PolarHBondContact O-N 2.78Å; I221-N223 VanDerWaalsContact O-N 3.16Å; N223-Y258 HydrophobicContact CB-CD2 4.1Å; N223-Y258 HydrophobicContact CB-CE2 3.87Å; N223-Y258 CarbonylContact O-C 3.57Å; N223-Y258 VanDerWaalsContact O-CA 3.28Å; N223-Y258 WeakPolarHBondContact O-CA 3.06Å; N223-E259 WeakPolarHBondContact CB-O 3.37Å; N223-E259 PolarHBondContact O-N 3.44Å; N223-E259 PolarHBondContact OD1-O 2.75Å; N223-H261 PolarHBondContact OD1-CD2 2.75Å; N223-Q267 PolarHBondContact ND2-OE1 2.98Å
224	L	90.5	Very high	85.7	Confident	12 Å²	12	54.3 Å²	54.3	6%	0.063	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130	-179.5	-77	177.2	0	0	0	112.9	M216 I221 K222 I235 V256 D257 Y258 I269 I271	M216-L224 HydrophobicContact CE-CD1 3.84Å; M216-L224 HydrophobicContact SD-CD1 3.38Å; M216-L224 WeakPolarHBondContact SD-CD1 3.4Å; M216-L224 HydrophobicContact SD-CG 4.44Å; I221-L224 WeakPolarHBondContact O-CB 3.23Å; I221-L224 PolarHBondContact O-N 3.16Å; K222-L224 VanDerWaalsContact C-N 3.26Å; K222-L224 PolarHBondContact O-N 2.75Å; L224-I235 HydrophobicContact CB-CD1 3.87Å; L224-I235 HydrophobicContact CD1-CD1 4.34Å; L224-V256 HydrophobicContact CD2-CG1 3.71Å; L224-D257 CarbonylContact C-O 3.6Å; L224-D257 WeakPolarHBondContact CA-O 3.37Å; L224-Y258 HydrophobicContact CD2-CD2 3.93Å; L224-Y258 HydrophobicContact CD2-CG 4.4Å; L224-Y258 HydrophobicContact CG-CD2 4.3Å; L224-I269 HydrophobicContact CD1-CD1 4.16Å; L224-I269 HydrophobicContact CD2-CD1 3.68Å; L224-I269 HydrophobicContact CG-CD1 4.19Å; L224-I271 HydrophobicContact CD1-CD1 3.89Å
225	K	92.2	Very high	85.1	Confident	131 Å²	131	52.3 Å²	52.3	57%	0.57	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.1	168.1	-65.8	171	-174.7	161.2	0	108.3	D257	K225-D257 HydrophobicContact CB-CB 4.33Å; K225-D257 PolarHBondContact N-O 2.77Å; K225-D257 PolarHBondContact O-N 2.8Å
226	I	93.3	Very high	84.3	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.1	175.8	-55.2	-165.6	0	0	0	108.9	M211 F213 V233 I235 F249 L254 S255 V256	M211-I226 HydrophobicContact CE-CD1 4.49Å; M211-I226 HydrophobicContact SD-CD1 3.92Å; F213-I226 HydrophobicContact CZ-CD1 4.44Å; I226-V233 PolarHBondContact O-N 3.31Å; I226-I235 HydrophobicContact CB-CG2 4.34Å; I226-I235 HydrophobicContact CD1-CD1 4.23Å; I226-I235 HydrophobicContact CD1-CG2 3.64Å; I226-I235 HydrophobicContact CG1-CD1 4.32Å; I226-I235 HydrophobicContact CG1-CG2 4.07Å; I226-F249 HydrophobicContact CD1-CZ 4.47Å; I226-F249 HydrophobicContact CG2-CE1 4.26Å; I226-F249 HydrophobicContact CG2-CZ 4.43Å; I226-L254 HydrophobicContact CG2-CD2 4.12Å; I226-S255 CarbonylContact C-O 3.59Å; I226-S255 WeakPolarHBondContact CA-O 3.48Å; I226-V256 HydrophobicContact CD1-CG2 4.43Å; I226-V256 HydrophobicContact CG1-CG1 4.45Å; I226-V256 HydrophobicContact CG1-CG2 4.41Å
227	T	94.7	Very high	83.5	Confident	32 Å²	32	50 Å²	50	20%	0.196	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.5	172.1	58.3	0	0	0	0	110.3	K231 L254 S255	T227-K231 CarbonylContact C-O 3.57Å; T227-K231 VanDerWaalsContact CA-O 3.28Å; T227-K231 WeakPolarHBondContact CA-O 3.33Å; T227-L254 CarbonylContact O-C 3.6Å; T227-L254 VanDerWaalsContact O-CA 3.3Å; T227-L254 WeakPolarHBondContact O-CA 3.3Å; T227-S255 PolarHBondContact N-O 2.69Å; T227-S255 PolarHBondContact O-N 2.81Å; T227-S255 VanDerWaalsContact OG1-CB 3.3Å; T227-S255 WeakPolarHBondContact OG1-CB 3.3Å
228	D	94.3	Very high	82.9	Confident	32 Å²	32	51.4 Å²	51.4	17%	0.171	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.2	176.3	-177.8	-14.8	0	0	0	109	G230 K231 V233 S251 L254	D228-G230 PolarHBondContact O-N 2.87Å; D228-G230 VanDerWaalsContact O-N 3.12Å; D228-K231 PolarHBondContact N-O 2.62Å; D228-K231 WeakPolarHBondContact O-CB 3.45Å; D228-K231 PolarHBondContact O-N 2.86Å; D228-V233 HydrophobicContact CB-CG2 3.39Å; D228-S251 WeakPolarHBondContact OD1-CB 3.1Å; D228-S251 PolarHBondContact OD1-OG 2.91Å; D228-L254 HydrophobicContact CB-CD2 3.67Å
229	N	93	Very high	82.7	Confident	85 Å²	85	50.1 Å²	50.1	46%	0.455	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	40.2	-175.7	-60.3	-52.9	0	0	0	112.4	K231 S251 S252 S253	N229-K231 VanDerWaalsContact C-N 3.32Å; N229-K231 PolarHBondContact O-N 2.86Å; N229-S251 PolarHBondContact ND2-OG 3.37Å; N229-S251 VanDerWaalsContact ND2-OG 3.16Å; N229-S251 PolarHBondContact OD1-OG 2.91Å; N229-S252 PolarHBondContact OD1-OG 3.48Å; N229-S253 PolarHBondContact N-O 2.56Å; N229-S253 PolarHBondContact OD1-N 3.16Å; N229-S253 PolarHBondContact OD1-O 3.47Å
230	G	90.4	Very high	82.2	Confident	65 Å²	65	49.4 Å²	49.4	67%	0.67	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-6.2	-178.8	0	0	0	0	0	115.6	D228	D228-G230 PolarHBondContact O-N 2.87Å; D228-G230 VanDerWaalsContact O-N 3.12Å
231	K	92.6	Very high	81.4	Confident	161 Å²	161	52.9 Å²	52.9	70%	0.7	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.7	175.2	-64.2	-175.9	-179.7	-178.5	0	110.4	T227 D228 N229 V233	T227-K231 CarbonylContact C-O 3.57Å; T227-K231 VanDerWaalsContact CA-O 3.28Å; T227-K231 WeakPolarHBondContact CA-O 3.33Å; D228-K231 PolarHBondContact N-O 2.62Å; D228-K231 WeakPolarHBondContact O-CB 3.45Å; D228-K231 PolarHBondContact O-N 2.86Å; N229-K231 VanDerWaalsContact C-N 3.32Å; N229-K231 PolarHBondContact O-N 2.86Å; K231-V233 PolarHBondContact O-N 2.81Å
232	P	90.7	Very high	80.5	Confident	116 Å²	116	54.1 Å²	54.1	75%	0.753	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.7	176.7	26.6	-33.5	0	0	0	110.7
233	V	86.7	Confident	79.9	Confident	46 Å²	46	50.6 Å²	50.6	28%	0.279	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.8	175.1	-175.6	0	0	0	0	109.8	I226 D228 K231 I235 F249	I226-V233 PolarHBondContact O-N 3.31Å; D228-V233 HydrophobicContact CB-CG2 3.39Å; K231-V233 PolarHBondContact O-N 2.81Å; V233-I235 PolarHBondContact O-N 3.29Å; V233-F249 HydrophobicContact CB-CE1 4.26Å; V233-F249 HydrophobicContact CG1-CE1 3.81Å; V233-F249 HydrophobicContact CG2-CE1 4.41Å
234	K	76.9	Confident	79.2	Confident	95 Å²	95	54 Å²	54	41%	0.413	29%	0.288	S	S	.	.			trans	-77.2	115.6	175.1	-164.5	170.9	-169.4	170.1	0	110	S236 D238 R247	K234-S236 WeakPolarHBondContact CE-O 3.35Å; K234-S236 WeakPolarHBondContact CG-O 3.45Å; K234-D238 VanDerWaalsContact CE-OD1 3.3Å; K234-D238 WeakPolarHBondContact CE-OD1 3.29Å; K234-D238 IonicContact NZ-OD1 3.02Å; K234-D238 PolarHBondContact NZ-OD1 2.82Å; K234-D238 IonicContact NZ-OD2 3.46Å; K234-D238 PolarHBondContact NZ-OD2 2.97Å; K234-R247 PolarHBondContact O-NH2 2.94Å
235	I	76.2	Confident	78.6	Confident	11 Å²	11	60 Å²	60	6%	0.056	31%	0.31	C	S	.	.			trans	-93.2	-24	-179.9	53.8	174.1	0	0	0	113.7	I221 L224 I226 V233 R247	I221-I235 HydrophobicContact CG2-CD1 3.56Å; I221-I235 HydrophobicContact CG2-CG1 3.76Å; L224-I235 HydrophobicContact CB-CD1 3.87Å; L224-I235 HydrophobicContact CD1-CD1 4.34Å; I226-I235 HydrophobicContact CB-CG2 4.34Å; I226-I235 HydrophobicContact CD1-CD1 4.23Å; I226-I235 HydrophobicContact CD1-CG2 3.64Å; I226-I235 HydrophobicContact CG1-CD1 4.32Å; I226-I235 HydrophobicContact CG1-CG2 4.07Å; V233-I235 PolarHBondContact O-N 3.29Å; I235-R247 VanDerWaalsContact C-NH2 3.3Å; I235-R247 PolarHBondContact O-NH2 3.34Å
236	S	70.4	Confident	78.2	Confident	22 Å²	22	56.7 Å²	56.7	15%	0.154	30%	0.298	C	S	.	.	S	Bend	trans	-126.4	145.9	177.9	-177.1	0	0	0	0	110.1	Y218 K234	Y218-S236 WeakPolarHBondContact CE2-OG 3.45Å; K234-S236 WeakPolarHBondContact CE-O 3.35Å; K234-S236 WeakPolarHBondContact CG-O 3.45Å
237	T	66.2	Low	77.9	Confident	13 Å²	13	58.1 Å²	58.1	8%	0.08	30%	0.303	C	S	.	.			trans	-75.7	157.1	168.8	60.6	0	0	0	0	108.7	C239 S240 V414	T237-C239 PolarHBondContact O-N 2.79Å; T237-S240 PolarHBondContact OG1-N 2.84Å; T237-V414 HydrophobicContact CG2-CG1 4.18Å
238	D	63.5	Low	77.6	Confident	88 Å²	88	60 Å²	60	47%	0.471	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	0.6	174.1	-54.9	-37.6	0	0	0	112	K234	K234-D238 VanDerWaalsContact CE-OD1 3.3Å; K234-D238 WeakPolarHBondContact CE-OD1 3.29Å; K234-D238 IonicContact NZ-OD1 3.02Å; K234-D238 PolarHBondContact NZ-OD1 2.82Å; K234-D238 IonicContact NZ-OD2 3.46Å; K234-D238 PolarHBondContact NZ-OD2 2.97Å
239	C	67.2	Low	77.4	Confident	4 Å²	4	59 Å²	59	3%	0.027	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-11.1	-158.6	-50.2	0	0	0	0	117.5	T237 F379 C380 V414	T237-C239 PolarHBondContact O-N 2.79Å; C239-F379 CarbonylContact O-C 3.6Å; C239-F379 WeakPolarHBondContact O-CB 3.16Å; C239-C380 VanDerWaalsContact CB-CA 3.44Å; C239-C380 HydrophobicContact CB-CB 3.74Å; C239-C380 WeakPolarHBondContact CB-SG 2.96Å; C239-C380 WeakPolarHBondContact SG-CA 3.16Å; C239-C380 WeakPolarHBondContact SG-CB 3.48Å; C239-C380 CovalentContact SG-SG 2.02Å; C239-C380 PolarHBondContact SG-SG 3.36Å; C239-V414 HydrophobicContact CB-CG1 4.48Å; C239-V414 HydrophobicContact CB-CG2 4.28Å
240	S	63	Low	77.2	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.021	31%	0.307	C	S	.	.			trans	-130.9	133.4	179.7	174.8	0	0	0	0	109.4	Y218 T237 D242 V412	Y218-S240 WeakPolarHBondContact CE2-O 3.28Å; T237-S240 PolarHBondContact OG1-N 2.84Å; S240-D242 PolarHBondContact O-N 2.79Å; S240-D242 PolarHBondContact OG-N 2.89Å; S240-D242 PolarHBondContact OG-O 3.27Å; S240-V412 PolarHBondContact OG-O 2.78Å
241	R	61.9	Low	77.2	Confident	73 Å²	73	59.3 Å²	59.3	28%	0.275	28%	0.275	S	S	.	.	S	Bend	trans	-64.5	-30.7	167.5	-68.6	-153.3	162.1	168.9	-14.3	112.4	Y218 D219 E384	Y218-R241 HydrophobicContact CD1-CB 4.1Å; Y218-R241 HydrophobicContact CD1-CG 3.45Å; Y218-R241 VanDerWaalsContact CD1-CG 3.45Å; Y218-R241 HydrophobicContact CD2-CB 3.98Å; Y218-R241 HydrophobicContact CD2-CG 4.2Å; Y218-R241 WeakPolarHBondContact CD2-O 3.49Å; Y218-R241 HydrophobicContact CE1-CG 3.74Å; Y218-R241 VanDerWaalsContact CE2-CA 3.44Å; Y218-R241 HydrophobicContact CE2-CB 4.41Å; Y218-R241 HydrophobicContact CE2-CG 4.44Å; Y218-R241 HydrophobicContact CG-CB 3.7Å; Y218-R241 HydrophobicContact CG-CG 3.61Å; D219-R241 IonicContact OD2-CZ 3.25Å; D219-R241 IonicContact OD2-NH2 3.77Å; D219-R241 PolarHBondContact OD2-NH2 2.85Å; R241-E384 HydrophobicContact CB-CB 4.47Å; R241-E384 WeakPolarHBondContact CB-OE2 3.31Å; R241-E384 HydrophobicContact CG-CB 3.86Å
242	D	61.2	Low	77.2	Confident	31 Å²	31	54.6 Å²	54.6	17%	0.166	26%	0.262	C	S	.	.			trans	-80.4	130.2	178.8	-153.4	9.2	0	0	0	111.3	S240 R411 V412	S240-D242 PolarHBondContact O-N 2.79Å; S240-D242 PolarHBondContact OG-N 2.89Å; S240-D242 PolarHBondContact OG-O 3.27Å; D242-R411 HydrophobicContact CB-CG 4.48Å; D242-R411 IonicContact OD1-NH1 3.69Å; D242-R411 PolarHBondContact OD1-NH1 3.07Å; D242-R411 WeakPolarHBondContact OD2-CD 3.48Å; D242-R411 WeakPolarHBondContact OD2-CG 3.44Å; D242-R411 IonicContact OD2-CZ 3.61Å; D242-R411 IonicContact OD2-NE 2.86Å; D242-R411 IonicContact OD2-NH1 3.34Å; D242-R411 PolarHBondContact OD2-NH1 3.02Å; D242-V412 WeakPolarHBondContact CB-O 3.48Å
243	F	67.3	Low	77.4	Confident	35 Å²	35	50.7 Å²	50.7	15%	0.154	24%	0.238	C	C	.	.			trans	-127.8	157.3	-179.4	68.7	-79.8	0	0	0	108.5	F213 M216 I221 R245	F213-F243 HydrophobicContact CB-CE2 3.49Å; F213-F243 VanDerWaalsContact CB-CE2 3.49Å; F213-F243 HydrophobicContact CB-CZ 3.88Å; F213-F243 HydrophobicContact CD1-CE2 4.45Å; F213-F243 HydrophobicContact CD2-CD2 4.12Å; F213-F243 AromaticContact CD2-CE2 3.6Å; F213-F243 HydrophobicContact CD2-CE2 3.6Å; F213-F243 HydrophobicContact CE2-CE2 4.41Å; F213-F243 AromaticContact CG-CE2 3.61Å; F213-F243 HydrophobicContact CG-CE2 3.61Å; F213-F243 HydrophobicContact CG-CZ 4.39Å; M216-F243 HydrophobicContact CB-CZ 4.13Å; M216-F243 HydrophobicContact CE-CE2 3.95Å; M216-F243 HydrophobicContact CE-CZ 4.02Å; M216-F243 HydrophobicContact CG-CZ 4.48Å; I221-F243 HydrophobicContact CD1-CB 3.97Å; I221-F243 HydrophobicContact CD1-CD1 3.11Å; I221-F243 HydrophobicContact CD1-CD2 4.13Å; I221-F243 HydrophobicContact CD1-CE1 3.49Å; I221-F243 VanDerWaalsContact CD1-CE1 3.49Å; I221-F243 HydrophobicContact CD1-CE2 4.42Å; I221-F243 HydrophobicContact CD1-CG 3.47Å; I221-F243 VanDerWaalsContact CD1-CG 3.47Å; I221-F243 HydrophobicContact CD1-CZ 4.14Å; I221-F243 HydrophobicContact CG1-CD1 4.34Å; I221-F243 HydrophobicContact CG1-CE1 4.31Å; F243-R245 PolarHBondContact O-N 2.67Å
244	Q	71.4	Confident	77.9	Confident	74 Å²	74	48.5 Å²	48.5	35%	0.346	23%	0.225	S	C	.	.			trans	-67.5	114	176.3	-61.2	175.8	-35.2	0	0	109.3	I246 R247	Q244-I246 PolarHBondContact O-N 2.91Å; Q244-I246 VanDerWaalsContact O-N 3.11Å; Q244-R247 VanDerWaalsContact CB-NH1 3.3Å; Q244-R247 VanDerWaalsContact OE1-CD 3.27Å
245	R	77.3	Confident	78.8	Confident	139 Å²	139	45.4 Å²	45.4	53%	0.525	22%	0.215	S	C	.	.	S	Bend	trans	-54.9	-29.4	176	-166.7	-178.1	176.6	-178.8	1	113.1	E212 F213 F243	E212-R245 CarbonylContact C-O 3.54Å; E212-R245 WeakPolarHBondContact CA-O 3.24Å; F213-R245 WeakPolarHBondContact CD2-O 3.36Å; F213-R245 PolarHBondContact N-O 3.17Å; F213-R245 WeakPolarHBondContact O-CG 3.37Å; F213-R245 PolarHBondContact O-NE 2.82Å; F243-R245 PolarHBondContact O-N 2.67Å
246	I	83.9	Confident	79.8	Confident	62 Å²	62	44.9 Å²	44.9	32%	0.318	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.9	177.1	-58.2	174.5	0	0	0	109.2	K210 M211 E212 Q244 Y248	K210-I246 HydrophobicContact CD-CG2 4.26Å; K210-I246 VanDerWaalsContact CE-CG2 3.41Å; K210-I246 HydrophobicContact CG-CG2 3.87Å; M211-I246 CarbonylContact O-C 3.51Å; M211-I246 VanDerWaalsContact O-CA 3.31Å; M211-I246 WeakPolarHBondContact O-CA 3.34Å; E212-I246 HydrophobicContact CB-CG1 4.3Å; E212-I246 HydrophobicContact CG-CG1 4.09Å; Q244-I246 PolarHBondContact O-N 2.91Å; Q244-I246 VanDerWaalsContact O-N 3.11Å; I246-Y248 HydrophobicContact CG2-CD2 4.18Å; I246-Y248 HydrophobicContact CG2-CE2 3.52Å
247	R	86.2	Confident	81	Confident	33 Å²	33	46.5 Å²	46.5	13%	0.125	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.5	174	-73.4	-68.2	-128.3	-98.6	-6	110.4	K210 M211 F213 K234 I235 Q244 F249	K210-R247 WeakPolarHBondContact CA-O 3.45Å; M211-R247 PolarHBondContact N-O 2.99Å; M211-R247 PolarHBondContact O-N 3Å; F213-R247 HydrophobicContact CE2-CB 4.21Å; F213-R247 HydrophobicContact CE2-CG 3.88Å; K234-R247 PolarHBondContact O-NH2 2.94Å; I235-R247 VanDerWaalsContact C-NH2 3.3Å; I235-R247 PolarHBondContact O-NH2 3.34Å; Q244-R247 VanDerWaalsContact CB-NH1 3.3Å; Q244-R247 VanDerWaalsContact OE1-CD 3.27Å; R247-F249 HydrophobicContact CB-CD2 4.42Å; R247-F249 HydrophobicContact CB-CE2 3.56Å; R247-F249 HydrophobicContact CB-CZ 3.96Å
248	Y	88.5	Confident	82.3	Confident	73 Å²	73	46 Å²	46	29%	0.286	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.4	176	-64	-91.8	0	0	0	109.4	V209 K210 I246 A276 N278	V209-Y248 CarbonylContact O-C 3.55Å; V209-Y248 WeakPolarHBondContact O-CA 3.24Å; K210-Y248 HydrophobicContact CB-CD1 3.86Å; K210-Y248 HydrophobicContact CB-CE1 3.74Å; K210-Y248 HydrophobicContact CD-CE1 4.01Å; K210-Y248 HydrophobicContact CG-CD1 4.07Å; K210-Y248 HydrophobicContact CG-CE1 3.61Å; I246-Y248 HydrophobicContact CG2-CD2 4.18Å; I246-Y248 HydrophobicContact CG2-CE2 3.52Å; Y248-A276 HydrophobicContact CD1-CB 4.46Å; Y248-A276 HydrophobicContact CE1-CB 3.91Å; Y248-N278 VanDerWaalsContact CB-ND2 3.26Å; Y248-N278 WeakPolarHBondContact CB-ND2 3.34Å; Y248-N278 HydrophobicContact CD1-CB 3.59Å; Y248-N278 HydrophobicContact CE1-CB 4.02Å; Y248-N278 HydrophobicContact CG-CB 3.92Å
249	F	90.9	Very high	83.8	Confident	11 Å²	11	45 Å²	45	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.2	179.8	-57.2	-100.5	0	0	0	109.3	W208 V209 M211 I226 V233 R247 S251 L254	W208-F249 WeakPolarHBondContact CA-O 3.5Å; W208-F249 WeakPolarHBondContact CB-O 3.47Å; V209-F249 HydrophobicContact CB-CB 4.38Å; V209-F249 PolarHBondContact N-O 2.86Å; V209-F249 PolarHBondContact O-N 3.23Å; M211-F249 HydrophobicContact CB-CE2 4.2Å; M211-F249 HydrophobicContact CG-CD2 4.34Å; M211-F249 HydrophobicContact CG-CE2 3.95Å; M211-F249 HydrophobicContact SD-CD2 4.24Å; M211-F249 HydrophobicContact SD-CE2 3.55Å; M211-F249 VanDerWaalsContact SD-CE2 3.55Å; M211-F249 HydrophobicContact SD-CZ 4.13Å; I226-F249 HydrophobicContact CD1-CZ 4.47Å; I226-F249 HydrophobicContact CG2-CE1 4.26Å; I226-F249 HydrophobicContact CG2-CZ 4.43Å; V233-F249 HydrophobicContact CB-CE1 4.26Å; V233-F249 HydrophobicContact CG1-CE1 3.81Å; V233-F249 HydrophobicContact CG2-CE1 4.41Å; R247-F249 HydrophobicContact CB-CD2 4.42Å; R247-F249 HydrophobicContact CB-CE2 3.56Å; R247-F249 HydrophobicContact CB-CZ 3.96Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 2.85Å; F249-L254 HydrophobicContact CB-CD1 3.79Å; F249-L254 HydrophobicContact CB-CD2 4.04Å; F249-L254 HydrophobicContact CB-CG 4.32Å; F249-L254 HydrophobicContact CD1-CD1 4.34Å; F249-L254 HydrophobicContact CD1-CD2 3.68Å; F249-L254 HydrophobicContact CD2-CD1 3.83Å; F249-L254 HydrophobicContact CE1-CD2 4.25Å; F249-L254 HydrophobicContact CG-CD1 3.74Å; F249-L254 HydrophobicContact CG-CD2 3.88Å; F249-L254 HydrophobicContact CG-CG 4.42Å
250	R	88.1	Confident	84.8	Confident	156 Å²	156	44.8 Å²	44.8	59%	0.589	21%	0.207	S	C	*	.			trans	-86.5	84.3	169	-171.3	-176.9	-177.7	174.6	1.9	107.7	D203 W208	D203-R250 WeakPolarHBondContact OD1-CG 3.1Å; W208-R250 HydrophobicContact CD2-CB 3.92Å; W208-R250 HydrophobicContact CE3-CB 3.97Å; W208-R250 HydrophobicContact CH2-CB 4.15Å; W208-R250 HydrophobicContact CZ2-CB 4.07Å; W208-R250 HydrophobicContact CZ2-CG 4.46Å; W208-R250 HydrophobicContact CZ3-CB 4.09Å
251	S	90.6	Very high	85.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.22	C	C	.	.			trans	-142.7	142.3	-170.8	-170.9	0	0	0	0	110	N200 D228 N229 F249 S253	N200-S251 VanDerWaalsContact CB-O 3.24Å; N200-S251 WeakPolarHBondContact CB-O 3.3Å; N200-S251 PolarHBondContact ND2-O 3.27Å; D228-S251 WeakPolarHBondContact OD1-CB 3.1Å; D228-S251 PolarHBondContact OD1-OG 2.91Å; N229-S251 PolarHBondContact ND2-OG 3.37Å; N229-S251 VanDerWaalsContact ND2-OG 3.16Å; N229-S251 PolarHBondContact OD1-OG 2.91Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 2.85Å; S251-S253 VanDerWaalsContact OG-C 3.27Å; S251-S253 PolarHBondContact OG-N 2.98Å; S251-S253 PolarHBondContact OG-O 3.19Å
252	S	93.7	Very high	86.6	Confident	61 Å²	61	46.2 Å²	46.2	43%	0.427	23%	0.228	S	C	.	.	S	Bend	trans	-83.7	-23.8	167.7	61	0	0	0	0	111.8	N200 N229	N200-S252 PolarHBondContact N-O 2.94Å; N229-S252 PolarHBondContact OD1-OG 3.48Å
253	S	95.2	Very high	87.1	Confident	34 Å²	34	49.2 Å²	49.2	24%	0.238	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	122.2	176.8	-174	0	0	0	0	112.5	I198 N229 S251	I198-S253 WeakPolarHBondContact O-CA 3.33Å; N229-S253 PolarHBondContact N-O 2.56Å; N229-S253 PolarHBondContact OD1-N 3.16Å; N229-S253 PolarHBondContact OD1-O 3.47Å; S251-S253 VanDerWaalsContact OG-C 3.27Å; S251-S253 PolarHBondContact OG-N 2.98Å; S251-S253 PolarHBondContact OG-O 3.19Å
254	L	96.5	Very high	87.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	143	168.3	-70.2	166.5	0	0	0	110.6	T197 I198 V209 I226 T227 D228 F249	T197-L254 CarbonylContact C-O 3.45Å; T197-L254 WeakPolarHBondContact CA-O 3.47Å; I198-L254 HydrophobicContact CB-CB 4.28Å; I198-L254 HydrophobicContact CD1-CB 4.39Å; I198-L254 PolarHBondContact N-O 2.7Å; I198-L254 PolarHBondContact O-N 3.24Å; V209-L254 HydrophobicContact CB-CD1 3.69Å; V209-L254 HydrophobicContact CG1-CD1 3.68Å; V209-L254 HydrophobicContact CG2-CD1 3.94Å; I226-L254 HydrophobicContact CG2-CD2 4.12Å; T227-L254 CarbonylContact O-C 3.6Å; T227-L254 VanDerWaalsContact O-CA 3.3Å; T227-L254 WeakPolarHBondContact O-CA 3.3Å; D228-L254 HydrophobicContact CB-CD2 3.67Å; F249-L254 HydrophobicContact CB-CD1 3.79Å; F249-L254 HydrophobicContact CB-CD2 4.04Å; F249-L254 HydrophobicContact CB-CG 4.32Å; F249-L254 HydrophobicContact CD1-CD1 4.34Å; F249-L254 HydrophobicContact CD1-CD2 3.68Å; F249-L254 HydrophobicContact CD2-CD1 3.83Å; F249-L254 HydrophobicContact CE1-CD2 4.25Å; F249-L254 HydrophobicContact CG-CD1 3.74Å; F249-L254 HydrophobicContact CG-CD2 3.88Å; F249-L254 HydrophobicContact CG-CG 4.42Å
255	S	96.5	Very high	87.1	Confident	30 Å²	30	48.6 Å²	48.6	21%	0.21	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.8	163.9	-39.3	0	0	0	0	109.9	W196 I226 T227	W196-S255 CarbonylContact O-C 3.23Å; W196-S255 VanDerWaalsContact O-CA 3.29Å; W196-S255 WeakPolarHBondContact O-CA 3.31Å; I226-S255 CarbonylContact C-O 3.59Å; I226-S255 WeakPolarHBondContact CA-O 3.48Å; T227-S255 PolarHBondContact N-O 2.69Å; T227-S255 PolarHBondContact O-N 2.81Å; T227-S255 VanDerWaalsContact OG1-CB 3.3Å; T227-S255 WeakPolarHBondContact OG1-CB 3.3Å
256	V	96	Very high	87.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.6	178.3	-176.7	0	0	0	0	106.9	L179 S195 W196 I198 M211 L224 I226	L179-V256 HydrophobicContact CD1-CG2 4.32Å; S195-V256 CarbonylContact C-O 3.59Å; S195-V256 WeakPolarHBondContact CA-O 3.39Å; W196-V256 HydrophobicContact CB-CB 4.48Å; W196-V256 HydrophobicContact CE3-CB 4.03Å; W196-V256 HydrophobicContact CE3-CG1 3.9Å; W196-V256 HydrophobicContact CZ3-CG1 4.24Å; W196-V256 PolarHBondContact N-O 3.45Å; W196-V256 PolarHBondContact O-N 2.77Å; I198-V256 HydrophobicContact CD1-CG2 4.12Å; M211-V256 HydrophobicContact CE-CG2 3.4Å; M211-V256 VanDerWaalsContact CE-CG2 3.4Å; L224-V256 HydrophobicContact CD2-CG1 3.71Å; I226-V256 HydrophobicContact CD1-CG2 4.43Å; I226-V256 HydrophobicContact CG1-CG1 4.45Å; I226-V256 HydrophobicContact CG1-CG2 4.41Å
257	D	95.3	Very high	87.4	Confident	57 Å²	57	41.3 Å²	41.3	31%	0.305	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.8	177.1	-58.6	-58.5	0	0	0	108.9	S195 L224 K225	S195-D257 WeakPolarHBondContact CB-OD1 2.87Å; S195-D257 PolarHBondContact OG-OD1 3.12Å; L224-D257 CarbonylContact C-O 3.6Å; L224-D257 WeakPolarHBondContact CA-O 3.37Å; K225-D257 HydrophobicContact CB-CB 4.33Å; K225-D257 PolarHBondContact N-O 2.77Å; K225-D257 PolarHBondContact O-N 2.8Å
258	Y	94.4	Very high	87.5	Confident	3 Å²	3	41 Å²	41	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.2	-178.8	172.7	-94.4	0	0	0	110.5	P182 P188 T193 C194 N223 L224 A260 Q267 I269	P182-Y258 HydrophobicContact CG-CE1 4.44Å; P188-Y258 HydrophobicContact CG-CE1 4.42Å; P188-Y258 WeakPolarHBondContact CG-OH 3.43Å; T193-Y258 CarbonylContact C-O 3.54Å; T193-Y258 VanDerWaalsContact CA-O 3.23Å; T193-Y258 WeakPolarHBondContact CA-O 3.47Å; C194-Y258 HydrophobicContact CB-CD1 4.32Å; C194-Y258 PolarHBondContact N-O 2.99Å; C194-Y258 WeakPolarHBondContact O-CB 3.15Å; C194-Y258 PolarHBondContact O-N 2.86Å; N223-Y258 HydrophobicContact CB-CD2 4.1Å; N223-Y258 HydrophobicContact CB-CE2 3.87Å; N223-Y258 CarbonylContact O-C 3.57Å; N223-Y258 VanDerWaalsContact O-CA 3.28Å; N223-Y258 WeakPolarHBondContact O-CA 3.06Å; L224-Y258 HydrophobicContact CD2-CD2 3.93Å; L224-Y258 HydrophobicContact CD2-CG 4.4Å; L224-Y258 HydrophobicContact CG-CD2 4.3Å; Y258-A260 HydrophobicContact CE1-CB 4.04Å; Y258-Q267 PolarHBondContact OH-O 3.07Å; Y258-I269 HydrophobicContact CD2-CD1 3.54Å; Y258-I269 HydrophobicContact CD2-CG1 4.16Å; Y258-I269 HydrophobicContact CD2-CG2 4.43Å; Y258-I269 HydrophobicContact CE2-CD1 4.04Å; Y258-I269 HydrophobicContact CE2-CG1 4.16Å; Y258-I269 HydrophobicContact CE2-CG2 4Å; Y258-I269 HydrophobicContact CG-CD1 4.08Å
259	E	93.7	Very high	87.7	Confident	65 Å²	65	37.5 Å²	37.5	30%	0.304	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	117	175.1	-177.8	174.4	175.8	0	0	111.8	S192 T193 N223 H261	S192-E259 WeakPolarHBondContact O-CA 3.12Å; T193-E259 HydrophobicContact CG2-CB 4.06Å; T193-E259 HydrophobicContact CG2-CG 3.8Å; N223-E259 WeakPolarHBondContact CB-O 3.37Å; N223-E259 PolarHBondContact O-N 3.44Å; N223-E259 PolarHBondContact OD1-O 2.75Å; E259-H261 PolarHBondContact O-CD2 2.88Å; E259-H261 VanDerWaalsContact O-CD2 3.27Å; E259-H261 PolarHBondContact O-N 2.86Å; E259-H261 IonicContact OE1-CE1 3.68Å; E259-H261 PolarHBondContact OE1-CE1 2.98Å; E259-H261 IonicContact OE1-ND1 4Å; E259-H261 IonicContact OE1-NE2 3.83Å; E259-H261 IonicContact OE2-CE1 2.92Å; E259-H261 PolarHBondContact OE2-CE1 3.33Å; E259-H261 IonicContact OE2-NE2 3.61Å
260	A	89.9	Confident	87.8	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.			trans	-76.6	103.6	178.9	0	0	0	0	0	111.4	P188 H191 S192 Y258 Q267	P188-A260 HydrophobicContact CB-CB 4.18Å; P188-A260 HydrophobicContact CG-CB 4.14Å; H191-A260 WeakPolarHBondContact CA-O 3.39Å; H191-A260 PolarHBondContact N-O 3.16Å; S192-A260 PolarHBondContact O-N 2.83Å; S192-A260 WeakPolarHBondContact OG-CB 3.32Å; Y258-A260 HydrophobicContact CE1-CB 4.04Å; A260-Q267 VanDerWaalsContact C-OE1 3.28Å; A260-Q267 VanDerWaalsContact CA-OE1 3.27Å
261	H	85.9	Confident	88.1	Confident	62 Å²	62	31.5 Å²	31.5	29%	0.287	19%	0.186	S	C	.	.			trans	-89.8	-17.1	-175.8	-71.5	-69.4	0	0	0	115.8	N223 E259 N263 Q267	N223-H261 PolarHBondContact OD1-CD2 2.75Å; E259-H261 PolarHBondContact O-CD2 2.88Å; E259-H261 VanDerWaalsContact O-CD2 3.27Å; E259-H261 PolarHBondContact O-N 2.86Å; E259-H261 IonicContact OE1-CE1 3.68Å; E259-H261 PolarHBondContact OE1-CE1 2.98Å; E259-H261 IonicContact OE1-ND1 4Å; E259-H261 IonicContact OE1-NE2 3.83Å; E259-H261 IonicContact OE2-CE1 2.92Å; E259-H261 PolarHBondContact OE2-CE1 3.33Å; E259-H261 IonicContact OE2-NE2 3.61Å; H261-N263 WeakPolarHBondContact CB-ND2 3.31Å; H261-Q267 VanDerWaalsContact N-OE1 3.1Å
262	G	75	Confident	88.3	Confident	44 Å²	44	32.7 Å²	32.7	45%	0.454	19%	0.192	S	C	.	.	S	Bend	trans	91.8	9.4	-169.7	0	0	0	0	0	114.7
263	N	72.8	Confident	88.5	Confident	95 Å²	95	29.8 Å²	29.8	51%	0.508	17%	0.172	S	C	.	.			trans	-85.4	-10.4	-169.9	-59	-12	0	0	0	114.2	H261	H261-N263 WeakPolarHBondContact CB-ND2 3.31Å
264	S	70.1	Confident	88.5	Confident	10 Å²	10	29 Å²	29	7%	0.07	17%	0.166	C	C	.	.	S	Bend	trans	-132.8	146.7	-175.9	178.8	0	0	0	0	109.9	D217 D266 Q267	D217-S264 PolarHBondContact OD1-OG 2.89Å; S264-D266 VanDerWaalsContact CB-O 3.32Å; S264-D266 WeakPolarHBondContact CB-O 3.29Å; S264-D266 PolarHBondContact O-N 3.15Å; S264-D266 PolarHBondContact OG-N 3.48Å; S264-D266 PolarHBondContact OG-O 2.88Å; S264-Q267 PolarHBondContact O-NE2 3.47Å
265	P	69.6	Low	88.4	Confident	86 Å²	86	29.4 Å²	29.4	56%	0.558	17%	0.17	S	C	*	.	S	Bend	trans	-62.5	-29.1	168.9	26.6	-34.7	0	0	0	112.9
266	D	79.4	Confident	88	Confident	30 Å²	30	28.9 Å²	28.9	16%	0.16	17%	0.167	C	C	.	.			trans	-123.1	112.7	173.1	-175.4	-13	0	0	0	109.2	E187 H215 S264 R268	E187-D266 WeakPolarHBondContact OE1-CA 3.43Å; E187-D266 VanDerWaalsContact OE1-OD1 3.09Å; H215-D266 IonicContact CD2-OD2 2.76Å; H215-D266 IonicContact CE1-OD2 2.72Å; H215-D266 IonicContact NE2-OD1 3.69Å; H215-D266 IonicContact NE2-OD2 3.59Å; H215-D266 PolarHBondContact NE2-OD2 2.83Å; S264-D266 VanDerWaalsContact CB-O 3.32Å; S264-D266 WeakPolarHBondContact CB-O 3.29Å; S264-D266 PolarHBondContact O-N 3.15Å; S264-D266 PolarHBondContact OG-N 3.48Å; S264-D266 PolarHBondContact OG-O 2.88Å; D266-R268 WeakPolarHBondContact OD1-CB 3.05Å; D266-R268 WeakPolarHBondContact OD1-CG 3.5Å; D266-R268 IonicContact OD1-CZ 3.42Å; D266-R268 PolarHBondContact OD1-N 3.11Å; D266-R268 IonicContact OD1-NE 3.68Å; D266-R268 PolarHBondContact OD1-NE 2.83Å; D266-R268 IonicContact OD1-NH2 3.48Å; D266-R268 IonicContact OD2-CZ 3.86Å; D266-R268 IonicContact OD2-NE 3.68Å; D266-R268 PolarHBondContact OD2-NE 2.82Å; D266-R268 IonicContact OD2-NH2 3.11Å; D266-R268 PolarHBondContact OD2-NH2 3.38Å
267	Q	86.1	Confident	87.5	Confident	18 Å²	18	34.3 Å²	34.3	8%	0.084	19%	0.191	C	C	.	.			trans	-104.6	4.8	179.1	-73	177.6	68.8	0	0	112.8	E187 P188 N223 Y258 A260 H261 S264	E187-Q267 PolarHBondContact OE2-N 2.72Å; P188-Q267 HydrophobicContact CG-CB 3.94Å; N223-Q267 PolarHBondContact ND2-OE1 2.98Å; Y258-Q267 PolarHBondContact OH-O 3.07Å; A260-Q267 VanDerWaalsContact C-OE1 3.28Å; A260-Q267 VanDerWaalsContact CA-OE1 3.27Å; H261-Q267 VanDerWaalsContact N-OE1 3.1Å; S264-Q267 PolarHBondContact O-NE2 3.47Å
268	R	88.9	Confident	86.8	Confident	26 Å²	26	32.7 Å²	32.7	10%	0.098	18%	0.182	C	C	.	.			trans	-71	144.4	-178.3	-56.5	170.2	-65.5	176.4	-3.2	110.3	S181 W184 P185 L186 E187 D266	S181-R268 WeakPolarHBondContact OG-CA 3.32Å; W184-R268 HydrophobicContact CE3-CB 4.09Å; W184-R268 HydrophobicContact CZ3-CB 3.77Å; P185-R268 WeakPolarHBondContact O-CD 3.04Å; P185-R268 PolarHBondContact O-NH1 3.25Å; L186-R268 WeakPolarHBondContact O-CG 3.36Å; E187-R268 WeakPolarHBondContact OE1-CD 3.07Å; E187-R268 WeakPolarHBondContact OE1-CG 3.32Å; E187-R268 IonicContact OE1-CZ 3.8Å; E187-R268 IonicContact OE1-NE 3.98Å; E187-R268 PolarHBondContact OE1-NE 2.84Å; E187-R268 VanDerWaalsContact OE1-NE 3.16Å; D266-R268 WeakPolarHBondContact OD1-CB 3.05Å; D266-R268 WeakPolarHBondContact OD1-CG 3.5Å; D266-R268 IonicContact OD1-CZ 3.42Å; D266-R268 PolarHBondContact OD1-N 3.11Å; D266-R268 IonicContact OD1-NE 3.68Å; D266-R268 PolarHBondContact OD1-NE 2.83Å; D266-R268 IonicContact OD1-NH2 3.48Å; D266-R268 IonicContact OD2-CZ 3.86Å; D266-R268 IonicContact OD2-NE 3.68Å; D266-R268 PolarHBondContact OD2-NE 2.82Å; D266-R268 IonicContact OD2-NH2 3.11Å; D266-R268 PolarHBondContact OD2-NH2 3.38Å
269	I	92	Very high	85.9	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.7	174.7	65.2	166.8	0	0	0	110.4	V180 S181 W196 H215 M216 A220 L224 Y258 I271	V180-I269 CarbonylContact C-O 3.6Å; V180-I269 WeakPolarHBondContact CA-O 3.43Å; S181-I269 PolarHBondContact N-O 3.45Å; S181-I269 PolarHBondContact OG-N 3.3Å; W196-I269 HydrophobicContact CH2-CD1 4.26Å; W196-I269 HydrophobicContact CZ3-CD1 4.33Å; H215-I269 CarbonylContact O-C 3.59Å; H215-I269 VanDerWaalsContact O-CA 3.3Å; H215-I269 WeakPolarHBondContact O-CA 3.4Å; M216-I269 HydrophobicContact CG-CG2 4.13Å; M216-I269 HydrophobicContact SD-CB 4.33Å; M216-I269 HydrophobicContact SD-CG2 3.65Å; A220-I269 HydrophobicContact CB-CG2 4.32Å; L224-I269 HydrophobicContact CD1-CD1 4.16Å; L224-I269 HydrophobicContact CD2-CD1 3.68Å; L224-I269 HydrophobicContact CG-CD1 4.19Å; Y258-I269 HydrophobicContact CD2-CD1 3.54Å; Y258-I269 HydrophobicContact CD2-CG1 4.16Å; Y258-I269 HydrophobicContact CD2-CG2 4.43Å; Y258-I269 HydrophobicContact CE2-CD1 4.04Å; Y258-I269 HydrophobicContact CE2-CG1 4.16Å; Y258-I269 HydrophobicContact CE2-CG2 4Å; Y258-I269 HydrophobicContact CG-CD1 4.08Å; I269-I271 HydrophobicContact CD1-CD1 4.3Å
270	M	93.2	Very high	85.2	Confident	41 Å²	41	39.4 Å²	39.4	20%	0.202	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.5	167.3	-178	-174.3	-74.9	0	0	109.2	T178 L179 V180 W184 V214 H215	T178-M270 HydrophobicContact CG2-CG 3.52Å; T178-M270 HydrophobicContact CG2-SD 4.3Å; L179-M270 CarbonylContact O-C 3.52Å; L179-M270 WeakPolarHBondContact O-CA 2.99Å; V180-M270 HydrophobicContact CG1-CB 4.42Å; V180-M270 HydrophobicContact CG1-CE 4.36Å; V180-M270 HydrophobicContact CG1-CG 4.15Å; W184-M270 HydrophobicContact CD2-CE 4.34Å; W184-M270 VanDerWaalsContact CE2-CE 3.44Å; W184-M270 HydrophobicContact CH2-CB 3.94Å; W184-M270 HydrophobicContact CH2-CE 3.79Å; W184-M270 HydrophobicContact CZ2-CB 4.47Å; W184-M270 HydrophobicContact CZ2-CE 3.15Å; W184-M270 HydrophobicContact CZ3-CB 3.95Å; V214-M270 HydrophobicContact CB-CB 4.37Å; V214-M270 HydrophobicContact CB-CG 4.13Å; V214-M270 HydrophobicContact CB-SD 3.97Å; V214-M270 HydrophobicContact CG1-SD 3.89Å; V214-M270 PolarHBondContact N-O 2.92Å; H215-M270 HydrophobicContact CB-CB 3.74Å; H215-M270 PolarHBondContact N-O 3.25Å; H215-M270 PolarHBondContact O-N 3.29Å
271	I	95	Very high	85.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118	-179.9	-44.7	178.7	0	0	0	108.7	T178 L179 M211 E212 F213 L224 I269 V273	T178-I271 CarbonylContact C-O 3.59Å; T178-I271 WeakPolarHBondContact CA-O 3.39Å; L179-I271 HydrophobicContact CB-CB 4.28Å; L179-I271 PolarHBondContact N-O 2.89Å; L179-I271 PolarHBondContact O-N 2.76Å; M211-I271 HydrophobicContact CB-CG2 4.08Å; M211-I271 HydrophobicContact CG-CG2 4.39Å; E212-I271 CarbonylContact O-C 3.6Å; E212-I271 WeakPolarHBondContact O-CA 3.04Å; F213-I271 HydrophobicContact CD1-CB 4.41Å; F213-I271 HydrophobicContact CD1-CD1 3.82Å; F213-I271 HydrophobicContact CD1-CG1 3.76Å; F213-I271 HydrophobicContact CD1-CG2 3.96Å; F213-I271 HydrophobicContact CE1-CD1 3.71Å; F213-I271 HydrophobicContact CE1-CG1 4.16Å; F213-I271 HydrophobicContact CE1-CG2 4.14Å; L224-I271 HydrophobicContact CD1-CD1 3.89Å; I269-I271 HydrophobicContact CD1-CD1 4.3Å; I271-V273 HydrophobicContact CG2-CG2 4.27Å
272	I	95.7	Very high	85.4	Confident	24 Å²	24	44.2 Å²	44.2	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.2	169.9	-70.9	-179.2	0	0	0	108.6	K176 T178 M211 E212 V214	K176-I272 HydrophobicContact CD-CG2 4.19Å; K176-I272 HydrophobicContact CG-CG2 4.03Å; T178-I272 HydrophobicContact CG2-CG1 4.42Å; M211-I272 CarbonylContact C-O 3.57Å; M211-I272 WeakPolarHBondContact CA-O 3.24Å; E212-I272 HydrophobicContact CB-CB 4.18Å; E212-I272 PolarHBondContact N-O 2.93Å; E212-I272 PolarHBondContact O-N 3.33Å; V214-I272 HydrophobicContact CG2-CB 4.28Å; V214-I272 HydrophobicContact CG2-CD1 3.53Å; V214-I272 HydrophobicContact CG2-CG1 3.69Å
273	V	96.8	Very high	85.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.2	177	-175.1	0	0	0	0	109.5	K176 F177 L179 I198 V209 K210 M211 I271	K176-V273 CarbonylContact C-O 3.21Å; K176-V273 VanDerWaalsContact CA-O 3.28Å; K176-V273 WeakPolarHBondContact CA-O 3.48Å; F177-V273 HydrophobicContact CD2-CB 3.97Å; F177-V273 HydrophobicContact CD2-CG2 4.41Å; F177-V273 HydrophobicContact CE1-CB 4.36Å; F177-V273 HydrophobicContact CE1-CG1 4.18Å; F177-V273 HydrophobicContact CE2-CB 3.48Å; F177-V273 VanDerWaalsContact CE2-CB 3.48Å; F177-V273 HydrophobicContact CE2-CG1 3.79Å; F177-V273 HydrophobicContact CE2-CG2 3.87Å; F177-V273 HydrophobicContact CZ-CB 3.69Å; F177-V273 HydrophobicContact CZ-CG1 3.49Å; F177-V273 VanDerWaalsContact CZ-CG1 3.49Å; F177-V273 HydrophobicContact CZ-CG2 4.43Å; F177-V273 PolarHBondContact N-O 2.89Å; F177-V273 PolarHBondContact O-N 2.74Å; L179-V273 HydrophobicContact CD1-CG2 3.96Å; L179-V273 HydrophobicContact CG-CG2 3.99Å; I198-V273 HydrophobicContact CD1-CG1 3.99Å; I198-V273 HydrophobicContact CD1-CG2 4.06Å; I198-V273 HydrophobicContact CG1-CG1 4.46Å; I198-V273 HydrophobicContact CG2-CG1 4.12Å; V209-V273 HydrophobicContact CG1-CG1 3.65Å; K210-V273 CarbonylContact O-C 3.51Å; K210-V273 WeakPolarHBondContact O-CA 3.48Å; M211-V273 HydrophobicContact CE-CG2 4.08Å; M211-V273 HydrophobicContact CG-CG2 4.33Å; I271-V273 HydrophobicContact CG2-CG2 4.27Å
274	S	95.6	Very high	86.7	Confident	17 Å²	17	44.8 Å²	44.8	12%	0.119	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	160	178.6	54.9	0	0	0	0	112.8	T175 K210	T175-S274 VanDerWaalsContact O-CA 3.29Å; T175-S274 WeakPolarHBondContact O-CA 3.41Å; K210-S274 PolarHBondContact N-O 3.14Å; K210-S274 PolarHBondContact O-N 3.27Å
275	A	93.7	Very high	87.8	Confident	10 Å²	10	46 Å²	46	8%	0.083	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.9	167.6	0	0	0	0	0	109	L170 T175 L202 Y207	L170-A275 HydrophobicContact CB-CB 4.31Å; L170-A275 HydrophobicContact CD1-CB 4.2Å; L170-A275 HydrophobicContact CD2-CB 4.25Å; T175-A275 PolarHBondContact O-N 3.14Å; L202-A275 HydrophobicContact CD1-CB 4.04Å; Y207-A275 HydrophobicContact CD1-CB 4.17Å
276	A	89.8	Confident	88.9	Confident	18 Å²	18	41.9 Å²	41.9	15%	0.149	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.5	176.8	0	0	0	0	0	110.6	W208 K210 Y248 N278	W208-A276 PolarHBondContact N-O 3.09Å; W208-A276 PolarHBondContact O-N 3.41Å; K210-A276 HydrophobicContact CB-CB 3.82Å; K210-A276 HydrophobicContact CD-CB 4.35Å; Y248-A276 HydrophobicContact CD1-CB 4.46Å; Y248-A276 HydrophobicContact CE1-CB 3.91Å; A276-N278 PolarHBondContact O-N 2.02Å
277	K	85.4	Confident	89.4	Confident	114 Å²	114	41.8 Å²	41.8	50%	0.496	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.6	160.1	-69.4	-172.4	175.7	-177	0	107.1	Y207 N292	Y207-K277 HydrophobicContact CD1-CG 4.06Å; Y207-K277 HydrophobicContact CE1-CG 3.74Å; Y207-K277 HydrophobicContact CE2-CG 4.45Å; Y207-K277 WeakPolarHBondContact OH-CE 3.33Å; K277-N292 PolarHBondContact O-ND2 2.82Å
278	N	79.9	Confident	89.6	Confident	23 Å²	23	41 Å²	41	12%	0.123	23%	0.225	C	C	.	.			trans	-121.6	99.5	171.4	-176.5	31.2	0	0	0	107.2	W208 Y248 A276 P280 K287	W208-N278 HydrophobicContact CB-CB 4.2Å; W208-N278 HydrophobicContact CD2-CB 3.83Å; W208-N278 HydrophobicContact CE3-CB 4.15Å; W208-N278 HydrophobicContact CG-CB 3.87Å; Y248-N278 VanDerWaalsContact CB-ND2 3.26Å; Y248-N278 WeakPolarHBondContact CB-ND2 3.34Å; Y248-N278 HydrophobicContact CD1-CB 3.59Å; Y248-N278 HydrophobicContact CE1-CB 4.02Å; Y248-N278 HydrophobicContact CG-CB 3.92Å; A276-N278 PolarHBondContact O-N 2.02Å; N278-P280 WeakPolarHBondContact O-CD 3.37Å; N278-K287 PolarHBondContact OD1-NZ 3.36Å
279	L	74.9	Confident	89.3	Confident	116 Å²	116	40.8 Å²	40.8	61%	0.607	23%	0.227	S	C	*	.			trans	-77.1	114.1	169.6	-135	82.6	0	0	0	107	C281 K287	L279-C281 PolarHBondContact O-N 3.35Å; L279-K287 WeakPolarHBondContact O-CE 2.97Å; L279-K287 PolarHBondContact O-NZ 3.48Å
280	P	80.1	Confident	88.7	Confident	93 Å²	93	45.3 Å²	45.3	60%	0.604	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-66	129.8	168	28.5	-32.3	0	0	0	108	N278	N278-P280 WeakPolarHBondContact O-CD 3.37Å
281	C	88.9	Confident	88.1	Confident	22 Å²	22	44.8 Å²	44.8	15%	0.149	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.8	152.8	175.6	-57.3	0	0	0	0	110.1	L279 E285 C294	L279-C281 PolarHBondContact O-N 3.35Å; C281-E285 HydrophobicContact CB-CB 3.82Å; C281-C294 WeakPolarHBondContact CA-SG 3.48Å; C281-C294 HydrophobicContact CB-CB 3.71Å; C281-C294 WeakPolarHBondContact CB-SG 3.25Å; C281-C294 VanDerWaalsContact SG-CA 3.6Å; C281-C294 WeakPolarHBondContact SG-CB 3.22Å; C281-C294 CovalentContact SG-SG 2.04Å; C281-C294 PolarHBondContact SG-SG 3.21Å
282	K	90.2	Very high	87.4	Confident	141 Å²	141	48.2 Å²	48.2	61%	0.613	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-60.6	160.6	173.6	-62.6	177	-172.7	165.1	0	110.1	N284 E285 Q581	K282-N284 PolarHBondContact O-N 2.97Å; K282-E285 HydrophobicContact CB-CB 4.38Å; K282-E285 HydrophobicContact CB-CG 4.14Å; K282-E285 PolarHBondContact N-OE2 2.89Å; K282-E285 PolarHBondContact O-N 2.8Å; K282-Q581 PolarHBondContact O-NE2 3.03Å
283	A	85.4	Confident	87.1	Confident	86 Å²	86	52.3 Å²	52.3	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.3	-175.4	0	0	0	0	0	114.8
284	N	89.6	Confident	86.9	Confident	66 Å²	66	53.9 Å²	53.9	35%	0.353	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	10.1	177.2	66.6	-32.8	0	0	0	113.5	K282 V297	K282-N284 PolarHBondContact O-N 2.97Å; N284-V297 PolarHBondContact O-N 3.41Å
285	E	93.2	Very high	86.8	Confident	34 Å²	34	53.3 Å²	53.3	16%	0.159	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.3	-179	-69.1	172.5	174.9	0	0	110.4	C281 K282 C294 V295 P296 Q581	C281-E285 HydrophobicContact CB-CB 3.82Å; K282-E285 HydrophobicContact CB-CB 4.38Å; K282-E285 HydrophobicContact CB-CG 4.14Å; K282-E285 PolarHBondContact N-OE2 2.89Å; K282-E285 PolarHBondContact O-N 2.8Å; E285-C294 HydrophobicContact CB-CB 4.31Å; E285-V295 CarbonylContact C-O 3.54Å; E285-V295 WeakPolarHBondContact CA-O 3.24Å; E285-V295 WeakPolarHBondContact CB-O 3.26Å; E285-P296 HydrophobicContact CG-CG 4.49Å; E285-Q581 WeakPolarHBondContact O-CG 3.31Å; E285-Q581 PolarHBondContact O-NE2 2.94Å
286	V	92.3	Very high	86.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.8	173.6	-69.8	0	0	0	0	110.1	C294 V295 V297 L300 Q581 W584 Q585 L588	V286-C294 CarbonylContact O-C 3.57Å; V286-C294 WeakPolarHBondContact O-CA 3.5Å; V286-V295 HydrophobicContact CG2-CG2 3.93Å; V286-V295 PolarHBondContact N-O 2.88Å; V286-V295 PolarHBondContact O-N 3.47Å; V286-V297 HydrophobicContact CG1-CG2 3.77Å; V286-V297 HydrophobicContact CG2-CG2 4.46Å; V286-L300 HydrophobicContact CG2-CD1 3.77Å; V286-L300 HydrophobicContact CG2-CD2 4.3Å; V286-L300 HydrophobicContact CG2-CG 4.45Å; V286-Q581 HydrophobicContact CG1-CG 4.27Å; V286-W584 HydrophobicContact CG1-CB 3.86Å; V286-Q585 HydrophobicContact CG1-CB 4.29Å; V286-L588 HydrophobicContact CB-CD1 3.93Å; V286-L588 HydrophobicContact CG2-CD1 3.41Å; V286-L588 VanDerWaalsContact CG2-CD1 3.41Å
287	K	91	Very high	86.9	Confident	29 Å²	29	55 Å²	55	13%	0.126	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.6	178.4	-171.5	168.3	-66.8	-163.4	0	109.8	N278 L279 S291 N292 R293 Q585	N278-K287 PolarHBondContact OD1-NZ 3.36Å; L279-K287 WeakPolarHBondContact O-CE 2.97Å; L279-K287 PolarHBondContact O-NZ 3.48Å; K287-S291 WeakPolarHBondContact CD-O 3.48Å; K287-S291 WeakPolarHBondContact CG-O 3.4Å; K287-N292 PolarHBondContact NZ-OD1 3.22Å; K287-R293 WeakPolarHBondContact CA-O 3.44Å; K287-Q585 PolarHBondContact O-NE2 3.3Å
288	C	90.1	Very high	87.1	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-63.4	141.9	174.7	-66.5	0	0	0	0	111.2	G290 S291 R293 C307	C288-G290 PolarHBondContact O-N 2.86Å; C288-S291 WeakPolarHBondContact CB-OG 2.95Å; C288-S291 PolarHBondContact O-N 2.83Å; C288-S291 VanDerWaalsContact O-O 3.13Å; C288-R293 HydrophobicContact CB-CB 4.46Å; C288-R293 PolarHBondContact N-O 2.97Å; C288-C307 HydrophobicContact CB-CB 3.65Å; C288-C307 WeakPolarHBondContact CB-SG 3.32Å; C288-C307 WeakPolarHBondContact SG-CA 3.36Å; C288-C307 WeakPolarHBondContact SG-CB 3.39Å; C288-C307 CovalentContact SG-SG 2.04Å; C288-C307 PolarHBondContact SG-SG 2.93Å
289	P	83.7	Confident	87.7	Confident	21 Å²	21	52.8 Å²	52.8	14%	0.136	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	133.3	178.8	-25.7	34.4	0	0	0	112.2	S291 L588 A592 V593	P289-S291 PolarHBondContact O-N 2.8Å; P289-S291 VanDerWaalsContact O-N 3.16Å; P289-L588 HydrophobicContact CG-CB 4.16Å; P289-L588 HydrophobicContact CG-CD2 4.45Å; P289-L588 VanDerWaalsContact CG-O 3.29Å; P289-L588 WeakPolarHBondContact CG-O 3.17Å; P289-A592 HydrophobicContact CG-CB 4.21Å; P289-V593 HydrophobicContact CB-CG2 3.96Å
290	G	77.7	Confident	88.5	Confident	94 Å²	94	47.6 Å²	47.6	97%	0.969	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	0.5	176.8	0	0	0	0	0	115.8	C288	C288-G290 PolarHBondContact O-N 2.86Å
291	S	81.2	Confident	89.1	Confident	30 Å²	30	44.4 Å²	44.4	21%	0.21	28%	0.278	C	S	.	.	S	Bend	trans	-130.6	166.9	176.4	76.8	0	0	0	0	112.4	K287 C288 P289 R293 D308	K287-S291 WeakPolarHBondContact CD-O 3.48Å; K287-S291 WeakPolarHBondContact CG-O 3.4Å; C288-S291 WeakPolarHBondContact CB-OG 2.95Å; C288-S291 PolarHBondContact O-N 2.83Å; C288-S291 VanDerWaalsContact O-O 3.13Å; P289-S291 PolarHBondContact O-N 2.8Å; P289-S291 VanDerWaalsContact O-N 3.16Å; S291-R293 VanDerWaalsContact C-N 3.26Å; S291-R293 WeakPolarHBondContact OG-CB 3.32Å; S291-R293 PolarHBondContact OG-N 2.95Å; S291-D308 WeakPolarHBondContact CB-OD2 3.36Å; S291-D308 PolarHBondContact OG-OD2 3.08Å
292	N	81	Confident	89.1	Confident	72 Å²	72	48 Å²	48	39%	0.385	30%	0.295	S	S	.	.			trans	-92.4	15	173.9	-97.7	-35.2	0	0	0	112.5	K277 K287 C294	K277-N292 PolarHBondContact O-ND2 2.82Å; K287-N292 PolarHBondContact NZ-OD1 3.22Å; N292-C294 PolarHBondContact O-N 3.29Å
293	R	89.5	Confident	88.8	Confident	111 Å²	111	47.6 Å²	47.6	42%	0.419	31%	0.31	S	S	.	.			trans	-79.7	117.3	-177	-173.7	178.1	178.5	177.9	-7	109.5	K287 C288 S291 V295 V306	K287-R293 WeakPolarHBondContact CA-O 3.44Å; C288-R293 HydrophobicContact CB-CB 4.46Å; C288-R293 PolarHBondContact N-O 2.97Å; S291-R293 VanDerWaalsContact C-N 3.26Å; S291-R293 WeakPolarHBondContact OG-CB 3.32Å; S291-R293 PolarHBondContact OG-N 2.95Å; R293-V295 HydrophobicContact CG-CG1 4.13Å; R293-V306 PolarHBondContact NE-O 3.37Å; R293-V306 VanDerWaalsContact NE-O 3.16Å; R293-V306 PolarHBondContact NH1-O 3.13Å; R293-V306 PolarHBondContact NH2-O 3.49Å; R293-V306 VanDerWaalsContact NH2-O 3.14Å
294	C	92.6	Very high	88.9	Confident	32 Å²	32	52.7 Å²	52.7	22%	0.216	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.8	170.1	-62.2	0	0	0	0	109.5	C281 E285 V286 N292	C281-C294 WeakPolarHBondContact CA-SG 3.48Å; C281-C294 HydrophobicContact CB-CB 3.71Å; C281-C294 WeakPolarHBondContact CB-SG 3.25Å; C281-C294 VanDerWaalsContact SG-CA 3.6Å; C281-C294 WeakPolarHBondContact SG-CB 3.22Å; C281-C294 CovalentContact SG-SG 2.04Å; C281-C294 PolarHBondContact SG-SG 3.21Å; E285-C294 HydrophobicContact CB-CB 4.31Å; V286-C294 CarbonylContact O-C 3.57Å; V286-C294 WeakPolarHBondContact O-CA 3.5Å; N292-C294 PolarHBondContact O-N 3.29Å
295	V	93.3	Very high	88.9	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.03	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.5	177.8	-62.8	0	0	0	0	109.6	E285 V286 R293 V297 L300 V306	E285-V295 CarbonylContact C-O 3.54Å; E285-V295 WeakPolarHBondContact CA-O 3.24Å; E285-V295 WeakPolarHBondContact CB-O 3.26Å; V286-V295 HydrophobicContact CG2-CG2 3.93Å; V286-V295 PolarHBondContact N-O 2.88Å; V286-V295 PolarHBondContact O-N 3.47Å; R293-V295 HydrophobicContact CG-CG1 4.13Å; V295-V297 PolarHBondContact O-N 3.03Å; V295-L300 HydrophobicContact CG2-CD2 3.89Å; V295-V306 HydrophobicContact CB-CB 4.37Å; V295-V306 HydrophobicContact CB-CG2 4.07Å; V295-V306 HydrophobicContact CG1-CB 3.95Å; V295-V306 HydrophobicContact CG1-CG2 4.07Å; V295-V306 HydrophobicContact CG2-CG2 4.08Å
296	P	93.4	Very high	88.9	Confident	56 Å²	56	55.4 Å²	55.4	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	137.8	175.1	-23.3	33.8	0	0	0	111.1	E285 A298 S299	E285-P296 HydrophobicContact CG-CG 4.49Å; P296-A298 PolarHBondContact O-N 2.66Å; P296-S299 WeakPolarHBondContact O-CB 3.45Å; P296-S299 PolarHBondContact O-N 3.21Å; P296-S299 PolarHBondContact O-OG 2.94Å
297	V	92.2	Very high	88.8	Confident	8 Å²	8	55.7 Å²	55.7	5%	0.048	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-54.1	-41	175.3	168.9	0	0	0	0	111	N284 V286 V295 S299 L300 P452 W584	N284-V297 PolarHBondContact O-N 3.41Å; V286-V297 HydrophobicContact CG1-CG2 3.77Å; V286-V297 HydrophobicContact CG2-CG2 4.46Å; V295-V297 PolarHBondContact O-N 3.03Å; V297-S299 PolarHBondContact O-N 2.86Å; V297-L300 WeakPolarHBondContact O-CB 3.44Å; V297-L300 WeakPolarHBondContact O-CG 3.47Å; V297-L300 PolarHBondContact O-N 2.78Å; V297-L300 VanDerWaalsContact O-N 3.12Å; V297-P452 HydrophobicContact CG1-CG 4.33Å; V297-W584 HydrophobicContact CG1-CB 4.5Å; V297-W584 HydrophobicContact CG1-CD2 3.93Å; V297-W584 HydrophobicContact CG1-CG 3.71Å; V297-W584 HydrophobicContact CG1-CZ2 4.48Å; V297-W584 HydrophobicContact CG2-CB 4.31Å; V297-W584 HydrophobicContact CG2-CG 4.35Å
298	A	90.1	Very high	88.6	Confident	69 Å²	69	57.6 Å²	57.6	57%	0.57	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64.7	-9.4	178.2	0	0	0	0	0	114.7	P296 L302	P296-A298 PolarHBondContact O-N 2.66Å; A298-L302 WeakPolarHBondContact O-CD1 3.43Å
299	S	91.8	Very high	88.3	Confident	22 Å²	22	67 Å²	67	15%	0.154	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-94.5	-9	176.6	70.4	0	0	0	0	114	P296 V297	P296-S299 WeakPolarHBondContact O-CB 3.45Å; P296-S299 PolarHBondContact O-N 3.21Å; P296-S299 PolarHBondContact O-OG 2.94Å; V297-S299 PolarHBondContact O-N 2.86Å
300	L	91.8	Very high	88.4	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.037	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	154.3	177.9	-56	172.3	0	0	0	110.5	V286 V295 V297 L302 V306 D312 W584 L588	V286-L300 HydrophobicContact CG2-CD1 3.77Å; V286-L300 HydrophobicContact CG2-CD2 4.3Å; V286-L300 HydrophobicContact CG2-CG 4.45Å; V295-L300 HydrophobicContact CG2-CD2 3.89Å; V297-L300 WeakPolarHBondContact O-CB 3.44Å; V297-L300 WeakPolarHBondContact O-CG 3.47Å; V297-L300 PolarHBondContact O-N 2.78Å; V297-L300 VanDerWaalsContact O-N 3.12Å; L300-L302 PolarHBondContact O-N 2.79Å; L300-V306 HydrophobicContact CD2-CG2 4.14Å; L300-D312 HydrophobicContact CD2-CB 3.71Å; L300-W584 HydrophobicContact CB-CE3 4.39Å; L300-W584 HydrophobicContact CB-CZ3 4.01Å; L300-W584 HydrophobicContact CD1-CB 4.41Å; L300-W584 HydrophobicContact CD1-CD2 3.92Å; L300-W584 HydrophobicContact CD1-CE3 3.35Å; L300-W584 HydrophobicContact CD1-CG 4.4Å; L300-W584 HydrophobicContact CD1-CZ3 3.84Å; L300-L588 HydrophobicContact CD1-CD1 4.22Å; L300-L588 HydrophobicContact CD2-CD1 4.3Å
301	C	92	Very high	88.9	Confident	25 Å²	25	62.1 Å²	62.1	17%	0.169	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	4.5	-177.9	-53.5	0	0	0	0	116	C318 L321	C301-C318 VanDerWaalsContact CA-SG 3.55Å; C301-C318 HydrophobicContact CB-CB 3.62Å; C301-C318 WeakPolarHBondContact CB-SG 3.47Å; C301-C318 WeakPolarHBondContact SG-CA 3.34Å; C301-C318 WeakPolarHBondContact SG-CB 3.48Å; C301-C318 CovalentContact SG-SG 2.03Å; C301-C318 PolarHBondContact SG-SG 2.88Å; C301-L321 HydrophobicContact CB-CD1 3.49Å; C301-L321 VanDerWaalsContact CB-CD1 3.49Å
302	L	88.7	Confident	89.3	Confident	99 Å²	99	60.7 Å²	60.7	52%	0.518	32%	0.317	S	S	.	.	S	Bend	trans	-82.3	157.9	172.5	-58.9	-173.5	0	0	0	110.6	A298 L300 R304 Q313	A298-L302 WeakPolarHBondContact O-CD1 3.43Å; L300-L302 PolarHBondContact O-N 2.79Å; L302-R304 CarbonylContact O-C 3.58Å; L302-R304 PolarHBondContact O-N 3.36Å; L302-Q313 PolarHBondContact O-NE2 2.51Å; L302-Q313 PolarHBondContact O-OE1 2.88Å
303	S	83.9	Confident	89.7	Confident	131 Å²	131	60.1 Å²	60.1	92%	0.916	31%	0.312	S	S	*	.	S	Bend	trans	-54.8	-21.8	-177.9	-45.4	0	0	0	0	115.1
304	R	88.5	Confident	89.8	Confident	194 Å²	194	59.6 Å²	59.6	73%	0.732	31%	0.312	S	S	*	.	S	Bend	trans	-86.4	115	175.4	-177.2	-177.6	-179	-177.5	2	110.4	L302 V306	L302-R304 CarbonylContact O-C 3.58Å; L302-R304 PolarHBondContact O-N 3.36Å; R304-V306 PolarHBondContact O-N 2.84Å
305	K	89.5	Confident	89.8	Confident	143 Å²	143	58 Å²	58	62%	0.622	30%	0.302	S	S	*	.			trans	-62.8	117.9	170.6	-63.1	175	-177.3	178.4	0	110.7	D312 Q313	K305-D312 WeakPolarHBondContact CA-OD2 3.38Å; K305-Q313 HydrophobicContact CG-CG 4.05Å
306	V	91.9	Very high	89.9	Confident	13 Å²	13	57.8 Å²	57.8	8%	0.079	30%	0.301	C	S	.	.			trans	-106.1	-20.2	179.2	-65.2	0	0	0	0	113.3	R293 V295 L300 R304 D312	R293-V306 PolarHBondContact NE-O 3.37Å; R293-V306 VanDerWaalsContact NE-O 3.16Å; R293-V306 PolarHBondContact NH1-O 3.13Å; R293-V306 PolarHBondContact NH2-O 3.49Å; R293-V306 VanDerWaalsContact NH2-O 3.14Å; V295-V306 HydrophobicContact CB-CB 4.37Å; V295-V306 HydrophobicContact CB-CG2 4.07Å; V295-V306 HydrophobicContact CG1-CB 3.95Å; V295-V306 HydrophobicContact CG1-CG2 4.07Å; V295-V306 HydrophobicContact CG2-CG2 4.08Å; L300-V306 HydrophobicContact CD2-CG2 4.14Å; R304-V306 PolarHBondContact O-N 2.84Å; V306-D312 HydrophobicContact CG2-CB 4.05Å; V306-D312 WeakPolarHBondContact CG2-OD2 3.27Å; V306-D312 PolarHBondContact N-OD1 3.23Å; V306-D312 PolarHBondContact N-OD2 2.9Å
307	C	90.3	Very high	90	Very high	7 Å²	7	55.4 Å²	55.4	5%	0.047	29%	0.285	C	S	.	.	S	Bend	trans	-105.6	161.2	174.1	-67.1	0	0	0	0	111.9	C288 G310 S311 D312	C288-C307 HydrophobicContact CB-CB 3.65Å; C288-C307 WeakPolarHBondContact CB-SG 3.32Å; C288-C307 WeakPolarHBondContact SG-CA 3.36Å; C288-C307 WeakPolarHBondContact SG-CB 3.39Å; C288-C307 CovalentContact SG-SG 2.04Å; C288-C307 PolarHBondContact SG-SG 2.93Å; C307-G310 PolarHBondContact O-N 2.83Å; C307-S311 WeakPolarHBondContact CB-OG 3.45Å; C307-D312 HydrophobicContact CB-CB 4.05Å; C307-D312 WeakPolarHBondContact CB-OD1 3.43Å; C307-D312 PolarHBondContact N-OD1 3.42Å
308	D	86.6	Confident	90.1	Very high	69 Å²	69	56.4 Å²	56.4	37%	0.369	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-61.2	141.1	-179.7	-57.8	-44.5	0	0	0	110.1	S291 G310 S311	S291-D308 WeakPolarHBondContact CB-OD2 3.36Å; S291-D308 PolarHBondContact OG-OD2 3.08Å; D308-G310 PolarHBondContact O-N 3.38Å; D308-S311 PolarHBondContact O-N 2.77Å; D308-S311 PolarHBondContact O-OG 3Å
309	F	85.5	Confident	90.3	Very high	200 Å²	200	58.6 Å²	58.6	88%	0.877	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	57.3	14.6	-176.2	-48.5	-76.8	0	0	0	115.4	S311	F309-S311 VanDerWaalsContact C-N 3.28Å; F309-S311 PolarHBondContact O-N 3.04Å
310	G	86.1	Confident	90.4	Very high	5 Å²	5	57.6 Å²	57.6	5%	0.052	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	65.7	30.3	-176.9	0	0	0	0	0	113.3	C307 D308 D312 Q313	C307-G310 PolarHBondContact O-N 2.83Å; D308-G310 PolarHBondContact O-N 3.38Å; G310-D312 WeakPolarHBondContact CA-OD1 3.46Å; G310-D312 PolarHBondContact O-N 2.97Å; G310-Q313 WeakPolarHBondContact O-CB 3.13Å; G310-Q313 PolarHBondContact O-N 3.17Å
311	S	87.2	Confident	90.5	Very high	7 Å²	7	60.5 Å²	60.5	5%	0.049	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-53.7	-34.7	175.9	33.9	0	0	0	0	112.7	C307 D308 F309 Q313 K314 A592	C307-S311 WeakPolarHBondContact CB-OG 3.45Å; D308-S311 PolarHBondContact O-N 2.77Å; D308-S311 PolarHBondContact O-OG 3Å; F309-S311 VanDerWaalsContact C-N 3.28Å; F309-S311 PolarHBondContact O-N 3.04Å; S311-Q313 PolarHBondContact O-N 2.76Å; S311-K314 PolarHBondContact O-N 3.11Å; S311-A592 WeakPolarHBondContact O-CB 3.24Å
312	D	89.2	Confident	90.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-63.1	-19.1	175.7	55.4	-62.8	0	0	0	114.7	L300 K305 V306 C307 G310 C318	L300-D312 HydrophobicContact CD2-CB 3.71Å; K305-D312 WeakPolarHBondContact CA-OD2 3.38Å; V306-D312 HydrophobicContact CG2-CB 4.05Å; V306-D312 WeakPolarHBondContact CG2-OD2 3.27Å; V306-D312 PolarHBondContact N-OD1 3.23Å; V306-D312 PolarHBondContact N-OD2 2.9Å; C307-D312 HydrophobicContact CB-CB 4.05Å; C307-D312 WeakPolarHBondContact CB-OD1 3.43Å; C307-D312 PolarHBondContact N-OD1 3.42Å; G310-D312 WeakPolarHBondContact CA-OD1 3.46Å; G310-D312 PolarHBondContact O-N 2.97Å; D312-C318 PolarHBondContact O-SG 3.01Å
313	Q	89.8	Confident	90.6	Very high	60 Å²	60	65.2 Å²	65.2	28%	0.28	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-98.2	-12	-179.6	-56.8	-59.1	-50.4	0	0	113	L302 K305 G310 S311 L315	L302-Q313 PolarHBondContact O-NE2 2.51Å; L302-Q313 PolarHBondContact O-OE1 2.88Å; K305-Q313 HydrophobicContact CG-CG 4.05Å; G310-Q313 WeakPolarHBondContact O-CB 3.13Å; G310-Q313 PolarHBondContact O-N 3.17Å; S311-Q313 PolarHBondContact O-N 2.76Å; Q313-L315 VanDerWaalsContact C-N 3.31Å
314	K	90.5	Very high	91.2	Very high	99 Å²	99	59.6 Å²	59.6	43%	0.43	28%	0.278	S	S	.	.			trans	-86.5	-5.4	-177.4	-67.5	-178	178.7	-179.4	0	113.1	S311 S316	S311-K314 PolarHBondContact O-N 3.11Å; K314-S316 PolarHBondContact O-N 3.35Å
315	L	93.7	Very high	91.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.			trans	-65.5	134.9	-176.7	-53.4	177.3	0	0	0	110	Q313 I317 C318 W584 M587 L588 E591 A592	Q313-L315 VanDerWaalsContact C-N 3.31Å; L315-I317 HydrophobicContact CB-CG2 3.91Å; L315-I317 HydrophobicContact CD1-CG2 4.48Å; L315-I317 PolarHBondContact O-N 2.81Å; L315-C318 WeakPolarHBondContact O-CB 3.45Å; L315-C318 PolarHBondContact O-N 3.29Å; L315-W584 HydrophobicContact CD1-CE3 4.04Å; L315-W584 HydrophobicContact CD1-CZ3 3.86Å; L315-M587 HydrophobicContact CD2-CB 4.28Å; L315-M587 WeakPolarHBondContact CD2-O 3.25Å; L315-L588 HydrophobicContact CD1-CD2 4Å; L315-L588 HydrophobicContact CD1-CG 4.13Å; L315-L588 HydrophobicContact CD2-CD2 4.08Å; L315-L588 HydrophobicContact CD2-CG 4.35Å; L315-L588 HydrophobicContact CG-CD2 4.38Å; L315-E591 VanDerWaalsContact CA-OE2 3.23Å; L315-E591 WeakPolarHBondContact CA-OE2 3.23Å; L315-E591 HydrophobicContact CD2-CB 4.23Å; L315-A592 HydrophobicContact CD2-CB 4.21Å
316	S	95	Very high	91.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-57	-36.1	178.5	61.8	0	0	0	0	111.2	K314 C318 K319 S368 P369 R370 E591	K314-S316 PolarHBondContact O-N 3.35Å; S316-C318 PolarHBondContact O-N 3.46Å; S316-K319 WeakPolarHBondContact O-CB 3.38Å; S316-K319 PolarHBondContact O-N 3.25Å; S316-K319 VanDerWaalsContact O-N 3.1Å; S316-S368 WeakPolarHBondContact OG-CB 3.43Å; S316-S368 PolarHBondContact OG-OG 3.33Å; S316-P369 WeakPolarHBondContact O-CD 3.45Å; S316-P369 WeakPolarHBondContact O-CG 3.42Å; S316-R370 WeakPolarHBondContact OG-CB 3.34Å; S316-E591 WeakPolarHBondContact CB-OE1 3.44Å; S316-E591 PolarHBondContact N-OE2 2.77Å; S316-E591 PolarHBondContact OG-OE1 3.34Å; S316-E591 PolarHBondContact OG-OE2 3.4Å
317	I	95.3	Very high	91.6	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-59.3	-32.5	178.3	-162.5	169.4	0	0	0	112.6	L315 K319 S320 L321 L449 W584 M587	L315-I317 HydrophobicContact CB-CG2 3.91Å; L315-I317 HydrophobicContact CD1-CG2 4.48Å; L315-I317 PolarHBondContact O-N 2.81Å; I317-K319 PolarHBondContact O-N 2.96Å; I317-K319 VanDerWaalsContact O-N 3.08Å; I317-S320 PolarHBondContact O-N 3.14Å; I317-S320 PolarHBondContact O-OG 3.21Å; I317-L321 HydrophobicContact CG1-CD2 4.17Å; I317-L321 HydrophobicContact CG1-CG 4.49Å; I317-L321 WeakPolarHBondContact O-CG 3.33Å; I317-L321 PolarHBondContact O-N 3.08Å; I317-L321 VanDerWaalsContact O-N 3.15Å; I317-L449 HydrophobicContact CD1-CD1 3.73Å; I317-L449 HydrophobicContact CD1-CG 4.43Å; I317-W584 HydrophobicContact CD1-CH2 4.22Å; I317-W584 HydrophobicContact CD1-CZ2 4.18Å; I317-W584 HydrophobicContact CG2-CE3 4.48Å; I317-W584 HydrophobicContact CG2-CH2 3.7Å; I317-W584 HydrophobicContact CG2-CZ3 3.6Å; I317-M587 HydrophobicContact CB-CE 4.48Å; I317-M587 HydrophobicContact CB-SD 4.03Å; I317-M587 HydrophobicContact CD1-CE 3.82Å; I317-M587 HydrophobicContact CD1-SD 4.07Å; I317-M587 HydrophobicContact CG2-CE 4.05Å; I317-M587 HydrophobicContact CG2-SD 4.02Å
318	C	94.5	Very high	91.6	Very high	30 Å²	30	52 Å²	52	20%	0.203	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-60.3	-25	179.4	-56.7	0	0	0	0	112.4	C301 D312 L315 S316 S320	C301-C318 VanDerWaalsContact CA-SG 3.55Å; C301-C318 HydrophobicContact CB-CB 3.62Å; C301-C318 WeakPolarHBondContact CB-SG 3.47Å; C301-C318 WeakPolarHBondContact SG-CA 3.34Å; C301-C318 WeakPolarHBondContact SG-CB 3.48Å; C301-C318 CovalentContact SG-SG 2.03Å; C301-C318 PolarHBondContact SG-SG 2.88Å; D312-C318 PolarHBondContact O-SG 3.01Å; L315-C318 WeakPolarHBondContact O-CB 3.45Å; L315-C318 PolarHBondContact O-N 3.29Å; S316-C318 PolarHBondContact O-N 3.46Å; C318-S320 VanDerWaalsContact C-N 3.33Å
319	K	94.2	Very high	91.7	Very high	114 Å²	114	50.9 Å²	50.9	50%	0.496	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-78.2	-15.8	178.7	-54.8	175.5	-169.4	170.2	0	113.5	S316 I317 E435	S316-K319 WeakPolarHBondContact O-CB 3.38Å; S316-K319 PolarHBondContact O-N 3.25Å; S316-K319 VanDerWaalsContact O-N 3.1Å; I317-K319 PolarHBondContact O-N 2.96Å; I317-K319 VanDerWaalsContact O-N 3.08Å; K319-E435 VanDerWaalsContact NZ-CD 3.26Å; K319-E435 IonicContact NZ-OE1 3.07Å; K319-E435 PolarHBondContact NZ-OE1 2.93Å; K319-E435 IonicContact NZ-OE2 3.58Å; K319-E435 PolarHBondContact NZ-OE2 3.39Å
320	S	94.9	Very high	91.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	1	-173.2	68.6	0	0	0	0	114.1	I317 C318 E322 T323 C324 T446	I317-S320 PolarHBondContact O-N 3.14Å; I317-S320 PolarHBondContact O-OG 3.21Å; C318-S320 VanDerWaalsContact C-N 3.33Å; S320-E322 VanDerWaalsContact C-N 3.29Å; S320-E322 PolarHBondContact O-N 2.99Å; S320-T323 PolarHBondContact O-N 2.93Å; S320-C324 WeakPolarHBondContact O-CB 2.92Å; S320-C324 PolarHBondContact O-N 3.01Å; S320-T446 WeakPolarHBondContact CB-OG1 3.45Å; S320-T446 PolarHBondContact OG-OG1 3.39Å
321	L	92.6	Very high	91.9	Very high	68 Å²	68	48.1 Å²	48.1	36%	0.356	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.9	179	-77.8	174.2	0	0	0	112.8	C301 I317 C324	C301-L321 HydrophobicContact CB-CD1 3.49Å; C301-L321 VanDerWaalsContact CB-CD1 3.49Å; I317-L321 HydrophobicContact CG1-CD2 4.17Å; I317-L321 HydrophobicContact CG1-CG 4.49Å; I317-L321 WeakPolarHBondContact O-CG 3.33Å; I317-L321 PolarHBondContact O-N 3.08Å; I317-L321 VanDerWaalsContact O-N 3.15Å; L321-C324 PolarHBondContact O-SG 3.12Å
322	E	90.9	Very high	91.6	Very high	167 Å²	167	50 Å²	50	78%	0.78	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-33.8	-177.1	-68.1	-176.8	173.6	0	0	112.8	S320 K552	S320-E322 VanDerWaalsContact C-N 3.29Å; S320-E322 PolarHBondContact O-N 2.99Å; E322-K552 PolarHBondContact O-NZ 3.06Å
323	T	93.2	Very high	90.6	Very high	56 Å²	56	54.3 Å²	54.3	34%	0.344	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	4.4	-175.6	54.2	0	0	0	0	113.2	S320 N445	S320-T323 PolarHBondContact O-N 2.93Å; T323-N445 PolarHBondContact O-ND2 3.11Å; T323-N445 PolarHBondContact O-OD1 3.33Å
324	C	94.9	Very high	89.2	Confident	13 Å²	13	57 Å²	57	9%	0.088	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	150.5	179.8	73	0	0	0	0	111.4	S320 L321 E326 T446 C448 K552	S320-C324 WeakPolarHBondContact O-CB 2.92Å; S320-C324 PolarHBondContact O-N 3.01Å; L321-C324 PolarHBondContact O-SG 3.12Å; C324-E326 PolarHBondContact O-N 3.35Å; C324-T446 CarbonylContact C-O 3.55Å; C324-T446 WeakPolarHBondContact CA-O 3.38Å; C324-C448 HydrophobicContact CB-CB 4.04Å; C324-C448 WeakPolarHBondContact CB-SG 3.47Å; C324-C448 PolarHBondContact O-SG 3.36Å; C324-C448 WeakPolarHBondContact SG-CA 3.29Å; C324-C448 WeakPolarHBondContact SG-CB 3.45Å; C324-C448 CovalentContact SG-SG 2.05Å; C324-C448 PolarHBondContact SG-SG 3.18Å; C324-K552 WeakPolarHBondContact O-CD 3.21Å
325	G	94.5	Very high	87.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	-1.2	174.2	0	0	0	0	0	114.6	T446 W553	G325-T446 PolarHBondContact N-O 3.31Å; G325-W553 VanDerWaalsContact CA-O 3.3Å; G325-W553 WeakPolarHBondContact CA-O 3.48Å; G325-W553 PolarHBondContact O-N 2.92Å
326	E	93.6	Very high	85.2	Confident	82 Å²	82	59.5 Å²	59.5	38%	0.383	31%	0.309	S	S	.	.			trans	-83.7	141.6	-179.5	-65.8	174.5	-165.8	0	0	111.9	C324 N445 K552	C324-E326 PolarHBondContact O-N 3.35Å; E326-N445 PolarHBondContact O-ND2 2.85Å; E326-K552 HydrophobicContact CG-CG 4.19Å; E326-K552 WeakPolarHBondContact OE1-CE 3.12Å; E326-K552 IonicContact OE1-NZ 2.69Å
327	Q	90.9	Very high	82.9	Confident	18 Å²	18	63 Å²	63	8%	0.084	33%	0.327	C	S	.	.			trans	-117.9	116.2	178.2	-67.2	169.9	-47.9	0	0	110.3	S347 W350 W553	Q327-S347 PolarHBondContact NE2-O 2.98Å; Q327-W350 HydrophobicContact CG-CH2 3.77Å; Q327-W350 HydrophobicContact CG-CZ3 3.95Å; Q327-W553 VanDerWaalsContact CD-NE1 3.32Å
328	T	90	Very high	80.6	Confident	99 Å²	99	63.8 Å²	63.8	61%	0.607	33%	0.331	S	S	*	.	S	Bend	trans	-71.6	-36.9	169.8	-44.3	0	0	0	0	111.5	N442	T328-N442 HydrophobicContact CG2-CB 4.38Å
329	V	90.4	Very high	78.4	Confident	45 Å²	45	62.5 Å²	62.5	27%	0.273	32%	0.323	S	S	.	.	S	Bend	trans	-101.9	115.9	176.8	-178.3	0	0	0	0	108.8	K344 S347	V329-K344 HydrophobicContact CG1-CB 4.39Å; V329-S347 WeakPolarHBondContact O-CA 3.39Å
330	K	88.1	Confident	76.5	Confident	126 Å²	126	60.6 Å²	60.6	55%	0.548	32%	0.32	S	S	.	.			trans	-73.2	136.8	177.7	-63.9	-65	-176.8	178.5	0	111.4
331	P	86	Confident	75.3	Confident	20 Å²	20	61 Å²	61	13%	0.13	32%	0.323	C	S	.	.			trans	-66.2	152.7	179.7	26.4	-34.2	0	0	0	112.5	I333 W348	P331-I333 HydrophobicContact CB-CD1 4.45Å; P331-I333 HydrophobicContact CB-CG1 3.93Å; P331-I333 HydrophobicContact CG-CD1 3.74Å; P331-I333 HydrophobicContact CG-CG1 3.76Å; P331-I333 PolarHBondContact O-N 3.27Å; P331-W348 HydrophobicContact CB-CZ2 3.87Å; P331-W348 HydrophobicContact CG-CH2 4.45Å; P331-W348 HydrophobicContact CG-CZ2 4.03Å
332	N	82.3	Confident	74.9	Confident	47 Å²	47	63.6 Å²	63.6	25%	0.251	33%	0.331	S	S	.	.			trans	-81.8	89.4	164.9	51.7	-35.7	0	0	0	109.9	D334 N341 K342 K344 Q478	N332-D334 VanDerWaalsContact C-N 3.31Å; N332-D334 PolarHBondContact O-N 3.46Å; N332-N341 PolarHBondContact ND2-OD1 2.87Å; N332-N341 PolarHBondContact O-ND2 3.37Å; N332-N341 PolarHBondContact O-OD1 3.35Å; N332-K342 PolarHBondContact ND2-O 3.23Å; N332-K342 PolarHBondContact OD1-O 3.38Å; N332-K344 HydrophobicContact CB-CD 4.27Å; N332-K344 HydrophobicContact CB-CG 4.43Å; N332-K344 PolarHBondContact OD1-N 2.83Å; N332-Q478 PolarHBondContact O-NE2 2.68Å; N332-Q478 PolarHBondContact OD1-NE2 2.93Å
333	I	67.2	Low	74.7	Confident	90 Å²	90	55.9 Å²	55.9	46%	0.462	30%	0.296	S	S	.	.			trans	-90.6	72	177.9	-57.7	-176.4	0	0	0	107.9	P331 F335	P331-I333 HydrophobicContact CB-CD1 4.45Å; P331-I333 HydrophobicContact CB-CG1 3.93Å; P331-I333 HydrophobicContact CG-CD1 3.74Å; P331-I333 HydrophobicContact CG-CG1 3.76Å; P331-I333 PolarHBondContact O-N 3.27Å; I333-F335 HydrophobicContact CB-CE2 4.24Å; I333-F335 HydrophobicContact CB-CZ 4.31Å; I333-F335 HydrophobicContact CG2-CD2 3.69Å; I333-F335 HydrophobicContact CG2-CE1 4.42Å; I333-F335 HydrophobicContact CG2-CE2 2.99Å; I333-F335 HydrophobicContact CG2-CZ 3.4Å; I333-F335 VanDerWaalsContact CG2-CZ 3.4Å
334	D	60.2	Low	74.5	Confident	118 Å²	118	58.1 Å²	58.1	63%	0.631	30%	0.301	S	S	*	.			trans	-118.9	92.4	168.8	-170.1	7	0	0	0	107.4	N332 V336	N332-D334 VanDerWaalsContact C-N 3.31Å; N332-D334 PolarHBondContact O-N 3.46Å; D334-V336 PolarHBondContact O-N 2.81Å; D334-V336 VanDerWaalsContact O-N 3.08Å; D334-V336 VanDerWaalsContact OD1-CG2 3.24Å; D334-V336 WeakPolarHBondContact OD1-CG2 3.5Å
335	F	53.9	Low	74.3	Confident	49 Å²	49	60.3 Å²	60.3	22%	0.215	32%	0.315	C	S	.	.			trans	-86.1	49.9	-170	-61.7	-65	0	0	0	112.6	I333 M337 I465 Q480	I333-F335 HydrophobicContact CB-CE2 4.24Å; I333-F335 HydrophobicContact CB-CZ 4.31Å; I333-F335 HydrophobicContact CG2-CD2 3.69Å; I333-F335 HydrophobicContact CG2-CE1 4.42Å; I333-F335 HydrophobicContact CG2-CE2 2.99Å; I333-F335 HydrophobicContact CG2-CZ 3.4Å; I333-F335 VanDerWaalsContact CG2-CZ 3.4Å; F335-M337 PolarHBondContact O-N 2.97Å; F335-I465 HydrophobicContact CE1-CD1 4.29Å; F335-I465 HydrophobicContact CZ-CD1 3.62Å; F335-Q480 HydrophobicContact CD1-CB 4.19Å; F335-Q480 HydrophobicContact CD2-CB 4.34Å; F335-Q480 HydrophobicContact CE1-CB 3.79Å; F335-Q480 HydrophobicContact CE2-CB 3.87Å; F335-Q480 HydrophobicContact CE2-CG 4.09Å; F335-Q480 HydrophobicContact CG-CB 4.47Å; F335-Q480 HydrophobicContact CZ-CB 3.63Å; F335-Q480 HydrophobicContact CZ-CG 4.18Å
336	V	47.4	Very low	74.1	Confident	101 Å²	101	60.6 Å²	60.6	61%	0.612	32%	0.318	S	S	*	.	S	Bend	trans	-66.4	-24.9	177.7	-173.8	0	0	0	0	111.7	D334	D334-V336 PolarHBondContact O-N 2.81Å; D334-V336 VanDerWaalsContact O-N 3.08Å; D334-V336 VanDerWaalsContact OD1-CG2 3.24Å; D334-V336 WeakPolarHBondContact OD1-CG2 3.5Å
337	M	45.7	Very low	74.1	Confident	74 Å²	74	56.7 Å²	56.7	37%	0.365	30%	0.3	S	S	.	.	S	Bend	trans	-157.9	138.4	179.5	-147.9	177.7	-167.7	0	0	113.7	F335 G339 T340 F515	F335-M337 PolarHBondContact O-N 2.97Å; M337-G339 PolarHBondContact O-N 2.89Å; M337-T340 HydrophobicContact CB-CG2 4.25Å; M337-T340 WeakPolarHBondContact CB-OG1 3.44Å; M337-T340 HydrophobicContact CG-CG2 4.47Å; M337-T340 PolarHBondContact O-OG1 3.4Å; M337-T340 HydrophobicContact SD-CG2 4Å; M337-F515 HydrophobicContact CE-CD2 4.2Å
338	L	46.6	Very low	74.2	Confident	22 Å²	22	56 Å²	56	12%	0.115	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	127.4	169.5	-77.1	162.9	0	0	0	111	T340 F479 F508 W509 D510 F515 W534	L338-T340 PolarHBondContact O-N 2.95Å; L338-F479 HydrophobicContact CD2-CD1 3.94Å; L338-F508 HydrophobicContact CD2-CB 4.14Å; L338-W509 WeakPolarHBondContact CD1-O 3.27Å; L338-W509 VanDerWaalsContact CD2-O 3.26Å; L338-W509 WeakPolarHBondContact CD2-O 3.45Å; L338-W509 WeakPolarHBondContact CG-O 3.37Å; L338-D510 HydrophobicContact CD1-CB 3.52Å; L338-F515 HydrophobicContact CD1-CD1 4.39Å; L338-W534 HydrophobicContact CB-CH2 3.94Å; L338-W534 HydrophobicContact CB-CZ2 4.29Å; L338-W534 HydrophobicContact CD1-CH2 3.61Å; L338-W534 HydrophobicContact CD1-CZ2 3.9Å; L338-W534 HydrophobicContact CD2-CH2 3.57Å; L338-W534 HydrophobicContact CD2-CZ3 4.13Å; L338-W534 HydrophobicContact CG-CH2 3.89Å; L338-W534 HydrophobicContact CG-CZ2 4.48Å
339	G	49.4	Very low	74.5	Confident	3 Å²	3	51.5 Å²	51.5	3%	0.031	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-16.6	174.6	0	0	0	0	0	116	M337 F479 Y533	M337-G339 PolarHBondContact O-N 2.89Å; G339-F479 VanDerWaalsContact CA-CE1 3.45Å; G339-F479 VanDerWaalsContact N-CE1 3.32Å; G339-Y533 WeakPolarHBondContact O-CE1 3.39Å
340	T	53.6	Low	74.8	Confident	73 Å²	73	49.4 Å²	49.4	45%	0.448	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-13.4	178.6	64.6	0	0	0	0	113.2	M337 L338 K342	M337-T340 HydrophobicContact CB-CG2 4.25Å; M337-T340 WeakPolarHBondContact CB-OG1 3.44Å; M337-T340 HydrophobicContact CG-CG2 4.47Å; M337-T340 PolarHBondContact O-OG1 3.4Å; M337-T340 HydrophobicContact SD-CG2 4Å; L338-T340 PolarHBondContact O-N 2.95Å; T340-K342 VanDerWaalsContact C-N 3.34Å; T340-K342 PolarHBondContact O-N 3.16Å
341	N	70.9	Confident	75.2	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.059	23%	0.23	C	C	.	.			trans	-75.9	87.8	-178.6	-164.2	-4.2	0	0	0	110.7	N332 A343 T477 Q478	N332-N341 PolarHBondContact ND2-OD1 2.87Å; N332-N341 PolarHBondContact O-ND2 3.37Å; N332-N341 PolarHBondContact O-OD1 3.35Å; N341-A343 PolarHBondContact O-N 3.12Å; N341-T477 WeakPolarHBondContact O-CA 3.48Å; N341-Q478 HydrophobicContact CB-CG 4.14Å; N341-Q478 PolarHBondContact ND2-NE2 2.79Å; N341-Q478 PolarHBondContact O-N 3.08Å; N341-Q478 PolarHBondContact OD1-NE2 2.75Å
342	K	82.7	Confident	75.7	Confident	121 Å²	121	42.5 Å²	42.5	53%	0.526	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-63.4	126.9	172.1	-66.9	166.3	175.1	-171.1	0	108.6	N332 T340 L475	N332-K342 PolarHBondContact ND2-O 3.23Å; N332-K342 PolarHBondContact OD1-O 3.38Å; T340-K342 VanDerWaalsContact C-N 3.34Å; T340-K342 PolarHBondContact O-N 3.16Å; K342-L475 HydrophobicContact CD-CD1 3.62Å; K342-L475 HydrophobicContact CG-CB 4.38Å; K342-L475 HydrophobicContact CG-CD1 4.16Å
343	A	87.8	Confident	76.2	Confident	5 Å²	5	40.3 Å²	40.3	4%	0.041	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-65.7	137.6	172.1	0	0	0	0	0	109.9	N341 M476	N341-A343 PolarHBondContact O-N 3.12Å; A343-M476 HydrophobicContact CB-CB 4.29Å; A343-M476 HydrophobicContact CB-CE 3.79Å; A343-M476 HydrophobicContact CB-CG 4.22Å; A343-M476 PolarHBondContact N-O 2.88Å
344	K	89.4	Confident	77.4	Confident	104 Å²	104	36 Å²	36	45%	0.452	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-64.7	137.8	168	-76.6	174.9	175.5	169.1	0	108.9	V329 N332 G346 S347	V329-K344 HydrophobicContact CG1-CB 4.39Å; N332-K344 HydrophobicContact CB-CD 4.27Å; N332-K344 HydrophobicContact CB-CG 4.43Å; N332-K344 PolarHBondContact OD1-N 2.83Å; K344-G346 PolarHBondContact O-N 3.42Å; K344-S347 WeakPolarHBondContact O-CB 3.33Å; K344-S347 PolarHBondContact O-N 2.9Å; K344-S347 PolarHBondContact O-OG 2.87Å
345	P	89.7	Confident	78.7	Confident	58 Å²	58	31.2 Å²	31.2	38%	0.377	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	126.1	174.1	-25.7	33	0	0	0	111.5	S347 N394	P345-S347 VanDerWaalsContact C-N 3.32Å; P345-S347 PolarHBondContact O-N 2.85Å; P345-N394 HydrophobicContact CB-CB 4.29Å; P345-N394 HydrophobicContact CG-CB 4.48Å
346	G	90.6	Very high	80.2	Confident	7 Å²	7	31.3 Å²	31.3	7%	0.072	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-3	-178.3	0	0	0	0	0	116	K344 W348	K344-G346 PolarHBondContact O-N 3.42Å; G346-W348 PolarHBondContact O-N 3.46Å
347	S	92.6	Very high	81.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-69.3	-25	177	70.5	0	0	0	0	113.3	Q327 V329 K344 P345 P349	Q327-S347 PolarHBondContact NE2-O 2.98Å; V329-S347 WeakPolarHBondContact O-CA 3.39Å; K344-S347 WeakPolarHBondContact O-CB 3.33Å; K344-S347 PolarHBondContact O-N 2.9Å; K344-S347 PolarHBondContact O-OG 2.87Å; P345-S347 VanDerWaalsContact C-N 3.32Å; P345-S347 PolarHBondContact O-N 2.85Å; S347-P349 WeakPolarHBondContact O-CD 3.49Å
348	W	94.6	Very high	83.4	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.015	18%	0.178	C	C	.	.	S	Bend	trans	-121	78.1	174.5	-58.5	105.2	0	0	0	108.4	P331 G346 W350 M351 I465 T467 M476 V543 W553	P331-W348 HydrophobicContact CB-CZ2 3.87Å; P331-W348 HydrophobicContact CG-CH2 4.45Å; P331-W348 HydrophobicContact CG-CZ2 4.03Å; G346-W348 PolarHBondContact O-N 3.46Å; W348-W350 AromaticContact CE3-CE2 3.82Å; W348-W350 HydrophobicContact CE3-CH2 4.01Å; W348-W350 AromaticContact CE3-CZ2 3.26Å; W348-W350 HydrophobicContact CE3-CZ2 3.26Å; W348-W350 HydrophobicContact CZ3-CH2 4.15Å; W348-W350 AromaticContact CZ3-CZ2 3.53Å; W348-W350 HydrophobicContact CZ3-CZ2 3.53Å; W348-W350 PolarHBondContact O-N 2.81Å; W348-M351 HydrophobicContact CB-CG 3.76Å; W348-M351 WeakPolarHBondContact O-CB 3.21Å; W348-M351 VanDerWaalsContact O-CG 3.23Å; W348-M351 WeakPolarHBondContact O-CG 3.36Å; W348-M351 PolarHBondContact O-N 2.72Å; W348-I465 HydrophobicContact CH2-CB 3.63Å; W348-I465 HydrophobicContact CH2-CG1 3.61Å; W348-I465 HydrophobicContact CH2-CG2 3.68Å; W348-I465 HydrophobicContact CZ2-CB 3.96Å; W348-I465 HydrophobicContact CZ2-CG1 3.96Å; W348-I465 HydrophobicContact CZ2-CG2 3.47Å; W348-I465 VanDerWaalsContact CZ2-CG2 3.47Å; W348-I465 HydrophobicContact CZ3-CB 4.22Å; W348-I465 HydrophobicContact CZ3-CG2 4.33Å; W348-T467 HydrophobicContact CB-CG2 4.23Å; W348-T467 HydrophobicContact CD2-CG2 3.79Å; W348-T467 HydrophobicContact CG-CG2 3.54Å; W348-M476 HydrophobicContact CB-CE 4.11Å; W348-V543 HydrophobicContact CE3-CG2 4.3Å; W348-V543 HydrophobicContact CZ3-CG2 3.78Å; W348-W553 HydrophobicContact CH2-CD2 4.34Å; W348-W553 HydrophobicContact CH2-CE3 4.33Å; W348-W553 AromaticContact CH2-CH2 3.76Å; W348-W553 HydrophobicContact CH2-CH2 3.76Å; W348-W553 AromaticContact CH2-CZ2 3.74Å; W348-W553 HydrophobicContact CH2-CZ2 3.74Å; W348-W553 HydrophobicContact CH2-CZ3 4.05Å; W348-W553 AromaticContact CZ3-CD2 3.93Å; W348-W553 HydrophobicContact CZ3-CD2 3.93Å; W348-W553 AromaticContact CZ3-CE2 3.99Å; W348-W553 HydrophobicContact CZ3-CE3 4.04Å; W348-W553 HydrophobicContact CZ3-CH2 4.28Å; W348-W553 HydrophobicContact CZ3-CZ2 4.16Å; W348-W553 HydrophobicContact CZ3-CZ3 4.22Å
349	P	95.6	Very high	85.2	Confident	4 Å²	4	38.9 Å²	38.9	3%	0.026	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.9	-165.5	31.4	-38.1	0	0	0	113.9	S347 M351 R443 V444 N445	S347-P349 WeakPolarHBondContact O-CD 3.49Å; P349-M351 VanDerWaalsContact C-N 3.28Å; P349-M351 PolarHBondContact O-N 3.31Å; P349-R443 WeakPolarHBondContact CA-O 3.04Å; P349-V444 CarbonylContact O-C 3.58Å; P349-V444 VanDerWaalsContact O-CA 3.31Å; P349-V444 WeakPolarHBondContact O-CA 3.06Å; P349-N445 CarbonylContact C-O 3.54Å; P349-N445 HydrophobicContact CB-CB 3.83Å; P349-N445 HydrophobicContact CG-CB 3.73Å; P349-N445 PolarHBondContact O-N 3.43Å
350	W	97.3	Very high	86.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	17.2	175.1	47.5	77.8	0	0	0	114.2	Q327 W348 T365 I366 N445 V447 V543 W553	Q327-W350 HydrophobicContact CG-CH2 3.77Å; Q327-W350 HydrophobicContact CG-CZ3 3.95Å; W348-W350 AromaticContact CE3-CE2 3.82Å; W348-W350 HydrophobicContact CE3-CH2 4.01Å; W348-W350 AromaticContact CE3-CZ2 3.26Å; W348-W350 HydrophobicContact CE3-CZ2 3.26Å; W348-W350 HydrophobicContact CZ3-CH2 4.15Å; W348-W350 AromaticContact CZ3-CZ2 3.53Å; W348-W350 HydrophobicContact CZ3-CZ2 3.53Å; W348-W350 PolarHBondContact O-N 2.81Å; W350-T365 HydrophobicContact CB-CG2 4.21Å; W350-T365 HydrophobicContact CG-CG2 4.32Å; W350-T365 CarbonylContact O-C 3.59Å; W350-T365 VanDerWaalsContact O-CA 3.28Å; W350-T365 WeakPolarHBondContact O-CA 3.21Å; W350-I366 HydrophobicContact CB-CB 4.32Å; W350-I366 PolarHBondContact O-N 2.8Å; W350-N445 WeakPolarHBondContact CA-O 3.41Å; W350-N445 WeakPolarHBondContact CB-O 3.49Å; W350-N445 PolarHBondContact N-O 2.95Å; W350-V447 HydrophobicContact CB-CB 3.99Å; W350-V447 HydrophobicContact CD2-CB 3.97Å; W350-V447 HydrophobicContact CD2-CG2 4.28Å; W350-V447 HydrophobicContact CE3-CB 4.39Å; W350-V447 HydrophobicContact CG-CB 3.8Å; W350-V447 HydrophobicContact CG-CG2 4.45Å; W350-V543 HydrophobicContact CZ2-CG1 4.34Å; W350-V543 HydrophobicContact CZ2-CG2 4.14Å; W350-W553 HydrophobicContact CH2-CB 3.4Å; W350-W553 VanDerWaalsContact CH2-CB 3.4Å; W350-W553 AromaticContact CH2-CD1 3.64Å; W350-W553 HydrophobicContact CH2-CD2 4.41Å; W350-W553 AromaticContact CH2-CG 3.52Å; W350-W553 HydrophobicContact CH2-CG 3.52Å; W350-W553 HydrophobicContact CZ2-CB 3.67Å; W350-W553 HydrophobicContact CZ2-CD2 4.47Å; W350-W553 AromaticContact CZ2-CG 3.9Å; W350-W553 HydrophobicContact CZ2-CG 3.9Å; W350-W553 HydrophobicContact CZ3-CB 4.23Å
351	M	96.1	Very high	88.4	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136	-178.2	-65.4	-59.7	-68.8	0	0	111.8	W348 P349 A363 T467 W469 M476 P541	W348-M351 HydrophobicContact CB-CG 3.76Å; W348-M351 WeakPolarHBondContact O-CB 3.21Å; W348-M351 VanDerWaalsContact O-CG 3.23Å; W348-M351 WeakPolarHBondContact O-CG 3.36Å; W348-M351 PolarHBondContact O-N 2.72Å; P349-M351 VanDerWaalsContact C-N 3.28Å; P349-M351 PolarHBondContact O-N 3.31Å; M351-A363 HydrophobicContact CE-CB 4.44Å; M351-T467 VanDerWaalsContact CE-O 3.24Å; M351-T467 WeakPolarHBondContact CE-O 3.4Å; M351-T467 PolarHBondContact SD-OG1 2.84Å; M351-W469 HydrophobicContact CB-CH2 4Å; M351-W469 HydrophobicContact CE-CH2 4.2Å; M351-W469 HydrophobicContact CE-CZ3 3.78Å; M351-M476 HydrophobicContact CB-SD 3.86Å; M351-M476 HydrophobicContact CE-SD 4.03Å; M351-M476 HydrophobicContact CG-CE 4.31Å; M351-M476 HydrophobicContact CG-SD 3.65Å; M351-P541 VanDerWaalsContact SD-CD 3.57Å; M351-P541 HydrophobicContact SD-CG 3.88Å
352	A	95.9	Very high	89.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.4	172.2	0	0	0	0	0	110.6	A363 A364 I366 L372 A390 I391	A352-A363 CarbonylContact O-C 3.47Å; A352-A364 HydrophobicContact CB-CB 4.29Å; A352-A364 PolarHBondContact N-O 2.84Å; A352-A364 PolarHBondContact O-N 2.65Å; A352-I366 HydrophobicContact CB-CG1 4.3Å; A352-L372 HydrophobicContact CB-CD1 3.84Å; A352-L372 HydrophobicContact CB-CD2 4.18Å; A352-A390 WeakPolarHBondContact CA-O 3.29Å; A352-I391 HydrophobicContact CB-CG1 3.99Å
353	M	93.2	Very high	89.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.8	171.1	178	64.4	67.5	0	0	109.3	F355 P360 Y362 A389 A390 F393 L396 W469	M353-F355 HydrophobicContact CB-CD2 4.31Å; M353-F355 HydrophobicContact CB-CE2 3.8Å; M353-F355 HydrophobicContact CG-CD2 3.71Å; M353-F355 HydrophobicContact CG-CE2 3.25Å; M353-F355 HydrophobicContact CG-CZ 3.92Å; M353-P360 HydrophobicContact CG-CB 4.3Å; M353-P360 HydrophobicContact SD-CB 4.12Å; M353-Y362 VanDerWaalsContact SD-O 3.33Å; M353-A389 WeakPolarHBondContact O-CA 3.38Å; M353-A390 HydrophobicContact CB-CB 4.4Å; M353-A390 PolarHBondContact N-O 2.84Å; M353-A390 PolarHBondContact O-N 2.77Å; M353-F393 HydrophobicContact CB-CD1 4.35Å; M353-L396 HydrophobicContact CE-CD2 4.22Å; M353-W469 HydrophobicContact CB-CH2 4.46Å; M353-W469 HydrophobicContact CE-CB 3.85Å; M353-W469 HydrophobicContact CE-CD2 3.18Å; M353-W469 HydrophobicContact CE-CE3 3.23Å; M353-W469 HydrophobicContact CE-CG 3.46Å; M353-W469 VanDerWaalsContact CE-CG 3.46Å; M353-W469 HydrophobicContact CE-CH2 4.38Å; M353-W469 HydrophobicContact CE-CZ2 4.37Å; M353-W469 HydrophobicContact CE-CZ3 3.85Å
354	L	92.3	Very high	90.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.9	171.3	-61.7	177.8	0	0	0	109.4	S361 Y362 A364 L372 T374 F379 Y387 A389 V409 V430	L354-S361 WeakPolarHBondContact O-CA 3.47Å; L354-S361 WeakPolarHBondContact O-CB 3.44Å; L354-S361 PolarHBondContact O-N 3.22Å; L354-Y362 PolarHBondContact N-O 3.03Å; L354-Y362 PolarHBondContact O-N 3.2Å; L354-A364 HydrophobicContact CD1-CB 4.19Å; L354-A364 HydrophobicContact CD2-CB 4.46Å; L354-A364 HydrophobicContact CG-CB 4.11Å; L354-L372 HydrophobicContact CD2-CD1 4.22Å; L354-T374 HydrophobicContact CD1-CG2 4.32Å; L354-F379 HydrophobicContact CD1-CZ 4.09Å; L354-Y387 HydrophobicContact CB-CD1 4.2Å; L354-A389 HydrophobicContact CD2-CB 4.24Å; L354-V409 HydrophobicContact CD2-CG2 4.34Å; L354-V430 HydrophobicContact CD1-CG2 4.42Å; L354-V430 HydrophobicContact CD2-CG1 4.4Å
355	F	88.2	Confident	90.7	Very high	17 Å²	17	28 Å²	28	8%	0.075	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.8	173.1	-74.3	-105.6	0	0	0	109.8	M353 G358 Y359 P360 Y387 V388 A390 F393 L396 W406	M353-F355 HydrophobicContact CB-CD2 4.31Å; M353-F355 HydrophobicContact CB-CE2 3.8Å; M353-F355 HydrophobicContact CG-CD2 3.71Å; M353-F355 HydrophobicContact CG-CE2 3.25Å; M353-F355 HydrophobicContact CG-CZ 3.92Å; F355-G358 WeakPolarHBondContact CD1-O 3.38Å; F355-Y359 CarbonylContact C-O 3.49Å; F355-Y359 WeakPolarHBondContact CA-O 3.31Å; F355-Y359 VanDerWaalsContact CD1-C 3.5Å; F355-P360 HydrophobicContact CD1-CB 4.13Å; F355-P360 VanDerWaalsContact CD1-N 3.3Å; F355-P360 HydrophobicContact CE1-CB 3.67Å; F355-P360 HydrophobicContact CE1-CG 4.14Å; F355-P360 HydrophobicContact CZ-CB 3.93Å; F355-Y387 CarbonylContact O-C 3.42Å; F355-Y387 VanDerWaalsContact O-CA 3.25Å; F355-Y387 WeakPolarHBondContact O-CA 3.41Å; F355-Y387 WeakPolarHBondContact O-CD1 3.31Å; F355-V388 HydrophobicContact CB-CB 4.48Å; F355-V388 PolarHBondContact N-O 3.13Å; F355-V388 PolarHBondContact O-N 3.4Å; F355-A390 HydrophobicContact CD2-CB 4.06Å; F355-A390 HydrophobicContact CE2-CB 3.63Å; F355-F393 HydrophobicContact CE2-CE2 4.42Å; F355-F393 HydrophobicContact CZ-CE2 4.12Å; F355-F393 HydrophobicContact CZ-CZ 4.11Å; F355-L396 HydrophobicContact CZ-CD2 4.37Å; F355-W406 HydrophobicContact CD1-CH2 4.43Å; F355-W406 HydrophobicContact CD1-CZ3 4.31Å; F355-W406 HydrophobicContact CD2-CH2 4.07Å; F355-W406 AromaticContact CD2-CZ3 3.63Å; F355-W406 HydrophobicContact CD2-CZ3 3.63Å; F355-W406 HydrophobicContact CE1-CH2 4.05Å; F355-W406 HydrophobicContact CE1-CZ3 4.37Å; F355-W406 AromaticContact CE2-CH2 3.65Å; F355-W406 HydrophobicContact CE2-CH2 3.65Å; F355-W406 AromaticContact CE2-CZ3 3.69Å; F355-W406 HydrophobicContact CE2-CZ3 3.69Å; F355-W406 HydrophobicContact CG-CH2 4.45Å; F355-W406 AromaticContact CG-CZ3 3.97Å; F355-W406 HydrophobicContact CG-CZ3 3.97Å; F355-W406 AromaticContact CZ-CH2 3.65Å; F355-W406 HydrophobicContact CZ-CH2 3.65Å; F355-W406 HydrophobicContact CZ-CZ3 4.09Å
356	K	84.6	Confident	91.1	Very high	51 Å²	51	25.2 Å²	25.2	22%	0.222	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.9	174.8	-167.2	-170.9	-179.3	-174	0	107.9	G358 Y359 S361 S382 T385 Y387	K356-G358 PolarHBondContact O-N 2.91Å; K356-G358 VanDerWaalsContact O-N 3.15Å; K356-Y359 PolarHBondContact N-O 2.77Å; K356-Y359 PolarHBondContact O-N 2.88Å; K356-S361 WeakPolarHBondContact CB-OG 3.49Å; K356-S361 PolarHBondContact N-OG 2.78Å; K356-S382 VanDerWaalsContact NZ-CB 3.33Å; K356-T385 WeakPolarHBondContact CE-OG1 3.26Å; K356-T385 WeakPolarHBondContact CG-OG1 3.17Å; K356-Y387 HydrophobicContact CB-CD1 4.08Å; K356-Y387 HydrophobicContact CB-CE1 3.66Å; K356-Y387 HydrophobicContact CD-CE1 4.31Å; K356-Y387 HydrophobicContact CG-CD1 4.44Å; K356-Y387 HydrophobicContact CG-CE1 3.89Å; K356-Y387 HydrophobicContact CG-CE2 4.43Å
357	Q	80.6	Confident	91.5	Very high	126 Å²	126	24.9 Å²	24.9	59%	0.589	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	39.8	-178.9	-60.5	173.2	-39.6	0	0	112.9	Y359 T385	Q357-Y359 VanDerWaalsContact C-N 3.27Å; Q357-Y359 WeakPolarHBondContact O-CD2 3.19Å; Q357-Y359 PolarHBondContact O-N 2.69Å; Q357-T385 HydrophobicContact CG-CG2 4.09Å
358	G	80.6	Confident	91.7	Very high	65 Å²	65	24.9 Å²	24.9	67%	0.67	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	-6.5	-177.8	0	0	0	0	0	115.7	F355 K356	F355-G358 WeakPolarHBondContact CD1-O 3.38Å; K356-G358 PolarHBondContact O-N 2.91Å; K356-G358 VanDerWaalsContact O-N 3.15Å
359	Y	83.4	Confident	91.8	Very high	165 Å²	165	24.7 Å²	24.7	65%	0.647	13%	0.129	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.9	177	-65.3	-81.5	0	0	0	112.1	F355 K356 Q357 S361	F355-Y359 CarbonylContact C-O 3.49Å; F355-Y359 WeakPolarHBondContact CA-O 3.31Å; F355-Y359 VanDerWaalsContact CD1-C 3.5Å; K356-Y359 PolarHBondContact N-O 2.77Å; K356-Y359 PolarHBondContact O-N 2.88Å; Q357-Y359 VanDerWaalsContact C-N 3.27Å; Q357-Y359 WeakPolarHBondContact O-CD2 3.19Å; Q357-Y359 PolarHBondContact O-N 2.69Å; Y359-S361 PolarHBondContact O-N 2.76Å; Y359-S361 PolarHBondContact O-OG 3.43Å
360	P	84	Confident	91.8	Very high	34 Å²	34	27.6 Å²	27.6	22%	0.221	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	131.5	171.3	25.9	-32.3	0	0	0	108.2	M353 F355 L396 R537	M353-P360 HydrophobicContact CG-CB 4.3Å; M353-P360 HydrophobicContact SD-CB 4.12Å; F355-P360 HydrophobicContact CD1-CB 4.13Å; F355-P360 VanDerWaalsContact CD1-N 3.3Å; F355-P360 HydrophobicContact CE1-CB 3.67Å; F355-P360 HydrophobicContact CE1-CG 4.14Å; F355-P360 HydrophobicContact CZ-CB 3.93Å; P360-L396 HydrophobicContact CB-CD1 4.43Å; P360-L396 HydrophobicContact CB-CD2 3.43Å; P360-L396 VanDerWaalsContact CB-CD2 3.43Å; P360-L396 HydrophobicContact CG-CD1 4.42Å; P360-L396 HydrophobicContact CG-CD2 3.8Å; P360-R537 PolarHBondContact O-NH1 3.48Å; P360-R537 PolarHBondContact O-NH2 3.21Å
361	S	86.6	Confident	91.8	Very high	13 Å²	13	27.6 Å²	27.6	9%	0.091	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-63.4	-169.2	-62.5	0	0	0	0	112	L354 K356 Y359 R537	L354-S361 WeakPolarHBondContact O-CA 3.47Å; L354-S361 WeakPolarHBondContact O-CB 3.44Å; L354-S361 PolarHBondContact O-N 3.22Å; K356-S361 WeakPolarHBondContact CB-OG 3.49Å; K356-S361 PolarHBondContact N-OG 2.78Å; Y359-S361 PolarHBondContact O-N 2.76Å; Y359-S361 PolarHBondContact O-OG 3.43Å; S361-R537 WeakPolarHBondContact O-CD 3.28Å; S361-R537 WeakPolarHBondContact O-CG 3.45Å; S361-R537 PolarHBondContact O-NH1 3.36Å
362	Y	90.6	Very high	91.9	Very high	40 Å²	40	27.5 Å²	27.5	16%	0.157	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.9	-169.1	-58	-74.9	0	0	0	113.2	M353 L354 I378 W471	M353-Y362 VanDerWaalsContact SD-O 3.33Å; L354-Y362 PolarHBondContact N-O 3.03Å; L354-Y362 PolarHBondContact O-N 3.2Å; Y362-I378 HydrophobicContact CD1-CD1 4.03Å; Y362-I378 HydrophobicContact CD1-CG1 3.66Å; Y362-I378 HydrophobicContact CD1-CG2 4.28Å; Y362-I378 HydrophobicContact CD2-CB 4.28Å; Y362-I378 HydrophobicContact CD2-CG1 4.23Å; Y362-I378 HydrophobicContact CD2-CG2 3.26Å; Y362-I378 HydrophobicContact CE1-CG1 4.09Å; Y362-I378 HydrophobicContact CE2-CB 4.49Å; Y362-I378 HydrophobicContact CE2-CG2 3.6Å; Y362-I378 HydrophobicContact CG-CB 4.28Å; Y362-I378 HydrophobicContact CG-CD1 3.84Å; Y362-I378 HydrophobicContact CG-CG1 3.73Å; Y362-I378 HydrophobicContact CG-CG2 3.63Å; Y362-W471 HydrophobicContact CE1-CH2 4.47Å; Y362-W471 HydrophobicContact CE1-CZ2 4.4Å
363	A	93.6	Very high	92	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	152.9	173.2	0	0	0	0	0	110.4	M351 A352 T374 W469 R537 G538 G539	M351-A363 HydrophobicContact CE-CB 4.44Å; A352-A363 CarbonylContact O-C 3.47Å; A363-T374 PolarHBondContact O-OG1 3.08Å; A363-W469 HydrophobicContact CB-CE3 4.17Å; A363-W469 HydrophobicContact CB-CZ3 4.05Å; A363-R537 WeakPolarHBondContact CB-O 2.97Å; A363-G538 PolarHBondContact N-O 2.98Å; A363-G539 CarbonylContact O-C 3.56Å; A363-G539 VanDerWaalsContact O-CA 3.31Å; A363-G539 WeakPolarHBondContact O-CA 3.5Å
364	A	96.4	Very high	92.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	164.4	172.1	0	0	0	0	0	109.6	A352 L354 L372 L373	A352-A364 HydrophobicContact CB-CB 4.29Å; A352-A364 PolarHBondContact N-O 2.84Å; A352-A364 PolarHBondContact O-N 2.65Å; L354-A364 HydrophobicContact CD1-CB 4.19Å; L354-A364 HydrophobicContact CD2-CB 4.46Å; L354-A364 HydrophobicContact CG-CB 4.11Å; A364-L372 HydrophobicContact CB-CB 4.03Å; A364-L372 HydrophobicContact CB-CD1 4.15Å; A364-L373 CarbonylContact C-O 3.55Å; A364-L373 WeakPolarHBondContact CA-O 3.17Å
365	T	98.1	Very high	92.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.9	-174.9	-48.4	0	0	0	0	111.1	W350 I367 L372 L373 V447 P541 I555	W350-T365 HydrophobicContact CB-CG2 4.21Å; W350-T365 HydrophobicContact CG-CG2 4.32Å; W350-T365 CarbonylContact O-C 3.59Å; W350-T365 VanDerWaalsContact O-CA 3.28Å; W350-T365 WeakPolarHBondContact O-CA 3.21Å; T365-I367 PolarHBondContact O-N 3.4Å; T365-L372 CarbonylContact O-C 3.45Å; T365-L372 WeakPolarHBondContact O-CA 3.16Å; T365-L373 PolarHBondContact N-O 2.98Å; T365-L373 PolarHBondContact O-N 2.77Å; T365-V447 HydrophobicContact CG2-CB 4.26Å; T365-V447 HydrophobicContact CG2-CG1 3.58Å; T365-P541 HydrophobicContact CG2-CB 3.89Å; T365-P541 HydrophobicContact CG2-CG 4.02Å; T365-P541 WeakPolarHBondContact OG1-CB 3.31Å; T365-P541 VanDerWaalsContact OG1-CD 3.25Å; T365-P541 WeakPolarHBondContact OG1-CD 3.07Å; T365-P541 WeakPolarHBondContact OG1-CG 3.46Å; T365-I555 HydrophobicContact CG2-CD1 4.13Å
366	I	98.2	Very high	92.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.7	178.2	-48.3	171.1	0	0	0	108.8	W350 A352 S368 L372 I391 I436 V444 T446 V447	W350-I366 HydrophobicContact CB-CB 4.32Å; W350-I366 PolarHBondContact O-N 2.8Å; A352-I366 HydrophobicContact CB-CG1 4.3Å; I366-S368 VanDerWaalsContact CG2-O 3.32Å; I366-S368 WeakPolarHBondContact CG2-O 3.39Å; I366-L372 HydrophobicContact CB-CD2 4.08Å; I366-L372 HydrophobicContact CG1-CD2 3.67Å; I366-L372 HydrophobicContact CG2-CD2 4.22Å; I366-I391 HydrophobicContact CD1-CB 4.41Å; I366-I391 HydrophobicContact CD1-CG1 4.1Å; I366-I391 HydrophobicContact CD1-CG2 3.61Å; I366-I436 HydrophobicContact CD1-CD1 4.25Å; I366-I436 HydrophobicContact CG2-CD1 3.65Å; I366-V444 HydrophobicContact CD1-CG1 4.28Å; I366-T446 HydrophobicContact CG2-CG2 3.86Å; I366-T446 WeakPolarHBondContact O-CA 3.49Å; I366-V447 PolarHBondContact O-N 2.73Å
367	I	97.9	Very high	92.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.126	C	C	.	.	S	Bend	trans	-107.1	-19.1	177.4	61.9	167.8	0	0	0	112.3	T365 W371 L373 M429 V447 L449 I583	T365-I367 PolarHBondContact O-N 3.4Å; I367-W371 HydrophobicContact CD1-CB 4.11Å; I367-W371 HydrophobicContact CG1-CB 3.87Å; I367-W371 VanDerWaalsContact CG1-O 3.32Å; I367-W371 WeakPolarHBondContact CG1-O 3.33Å; I367-W371 PolarHBondContact N-O 3.09Å; I367-W371 VanDerWaalsContact N-O 3.08Å; I367-L373 HydrophobicContact CD1-CB 4.43Å; I367-L373 HydrophobicContact CD1-CD1 4.47Å; I367-L373 HydrophobicContact CG2-CB 3.85Å; I367-L373 HydrophobicContact CG2-CD2 4.45Å; I367-M429 HydrophobicContact CD1-CE 4.1Å; I367-V447 HydrophobicContact CG2-CG1 3.98Å; I367-L449 HydrophobicContact CB-CD2 4.31Å; I367-L449 HydrophobicContact CG2-CD2 4.07Å; I367-I583 HydrophobicContact CD1-CG2 3.84Å
368	S	96.9	Very high	92.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-151.6	170.4	172.3	90.3	0	0	0	0	110.1	S316 I366 R370 W371	S316-S368 WeakPolarHBondContact OG-CB 3.43Å; S316-S368 PolarHBondContact OG-OG 3.33Å; I366-S368 VanDerWaalsContact CG2-O 3.32Å; I366-S368 WeakPolarHBondContact CG2-O 3.39Å; S368-R370 PolarHBondContact O-N 2.85Å; S368-R370 PolarHBondContact OG-N 3.16Å; S368-W371 PolarHBondContact N-O 3.14Å; S368-W371 PolarHBondContact O-N 3.17Å; S368-W371 WeakPolarHBondContact OG-CB 3.29Å; S368-W371 PolarHBondContact OG-N 3.4Å
369	P	97.1	Very high	92.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-56.1	-17.4	172	-22.8	31.1	0	0	0	114.5	S316 E435 I436 F440	S316-P369 WeakPolarHBondContact O-CD 3.45Å; S316-P369 WeakPolarHBondContact O-CG 3.42Å; P369-E435 HydrophobicContact CB-CB 4.28Å; P369-E435 CarbonylContact O-C 3.48Å; P369-E435 WeakPolarHBondContact O-CA 3.24Å; P369-I436 WeakPolarHBondContact O-CB 3.48Å; P369-I436 VanDerWaalsContact O-CG1 3.28Å; P369-I436 WeakPolarHBondContact O-CG1 3.25Å; P369-I436 PolarHBondContact O-N 3.08Å; P369-F440 HydrophobicContact CB-CE1 4.43Å; P369-F440 HydrophobicContact CB-CZ 4.32Å; P369-F440 HydrophobicContact CG-CE1 4.41Å; P369-F440 HydrophobicContact CG-CZ 3.89Å
370	R	96.6	Very high	92.3	Very high	65 Å²	65	8.7 Å²	8.7	25%	0.245	4%	0.043	C	C	.	.	S	Bend	trans	-122.3	-13	-178.1	-151.6	174.1	-176.7	165	-0	114.6	S316 S368 M431 L432 E435 E591	S316-R370 WeakPolarHBondContact OG-CB 3.34Å; S368-R370 PolarHBondContact O-N 2.85Å; S368-R370 PolarHBondContact OG-N 3.16Å; R370-M431 HydrophobicContact CG-CG 4.44Å; R370-L432 PolarHBondContact NE-O 3Å; R370-L432 PolarHBondContact O-N 3.44Å; R370-E435 HydrophobicContact CB-CG 4.24Å; R370-E435 HydrophobicContact CG-CG 4.29Å; R370-E591 WeakPolarHBondContact CB-OE1 3.28Å; R370-E591 WeakPolarHBondContact CD-OE1 3.41Å
371	W	97.7	Very high	91.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134	-173.1	-68.3	92.2	0	0	0	112.4	I367 S368 I413 M429 V430 M431 M587 F590 E591	I367-W371 HydrophobicContact CD1-CB 4.11Å; I367-W371 HydrophobicContact CG1-CB 3.87Å; I367-W371 VanDerWaalsContact CG1-O 3.32Å; I367-W371 WeakPolarHBondContact CG1-O 3.33Å; I367-W371 PolarHBondContact N-O 3.09Å; I367-W371 VanDerWaalsContact N-O 3.08Å; S368-W371 PolarHBondContact N-O 3.14Å; S368-W371 PolarHBondContact O-N 3.17Å; S368-W371 WeakPolarHBondContact OG-CB 3.29Å; S368-W371 PolarHBondContact OG-N 3.4Å; W371-I413 HydrophobicContact CH2-CD1 3.7Å; W371-I413 HydrophobicContact CZ3-CD1 3.84Å; W371-M429 HydrophobicContact CB-CE 4.35Å; W371-M429 HydrophobicContact CD2-CE 3.81Å; W371-M429 HydrophobicContact CE3-CB 3.83Å; W371-M429 HydrophobicContact CE3-CE 3.61Å; W371-M429 HydrophobicContact CG-CE 4.15Å; W371-M429 HydrophobicContact CZ3-CB 3.84Å; W371-M429 HydrophobicContact CZ3-CE 4.13Å; W371-V430 WeakPolarHBondContact CA-O 3.33Å; W371-M431 HydrophobicContact CD2-CB 4.37Å; W371-M431 HydrophobicContact CD2-CG 4.36Å; W371-M431 HydrophobicContact CE3-CB 3.91Å; W371-M431 HydrophobicContact CE3-CG 4.38Å; W371-M431 HydrophobicContact CH2-CB 3.71Å; W371-M431 HydrophobicContact CH2-CG 3.87Å; W371-M431 HydrophobicContact CH2-SD 3.82Å; W371-M431 HydrophobicContact CZ2-CB 4.12Å; W371-M431 HydrophobicContact CZ2-CE 4.37Å; W371-M431 HydrophobicContact CZ2-CG 3.76Å; W371-M431 HydrophobicContact CZ2-SD 3.67Å; W371-M431 HydrophobicContact CZ3-CB 3.59Å; W371-M431 HydrophobicContact CZ3-CG 4.17Å; W371-M587 HydrophobicContact CD2-CG 4.28Å; W371-M587 HydrophobicContact CG-CG 4.02Å; W371-M587 HydrophobicContact CG-SD 4.44Å; W371-F590 HydrophobicContact CH2-CB 4Å; W371-F590 HydrophobicContact CH2-CD2 4.33Å; W371-F590 HydrophobicContact CH2-CG 4.38Å; W371-F590 HydrophobicContact CZ2-CB 3.81Å; W371-E591 HydrophobicContact CZ2-CG 4.32Å; W371-E591 VanDerWaalsContact NE1-CG 3.3Å; W371-E591 PolarHBondContact NE1-OE1 2.73Å
372	L	97.9	Very high	90.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.5	166.4	-39.7	175.2	0	0	0	110	A352 L354 A364 T365 I366 A389 M429 V430 L432	A352-L372 HydrophobicContact CB-CD1 3.84Å; A352-L372 HydrophobicContact CB-CD2 4.18Å; L354-L372 HydrophobicContact CD2-CD1 4.22Å; A364-L372 HydrophobicContact CB-CB 4.03Å; A364-L372 HydrophobicContact CB-CD1 4.15Å; T365-L372 CarbonylContact O-C 3.45Å; T365-L372 WeakPolarHBondContact O-CA 3.16Å; I366-L372 HydrophobicContact CB-CD2 4.08Å; I366-L372 HydrophobicContact CG1-CD2 3.67Å; I366-L372 HydrophobicContact CG2-CD2 4.22Å; L372-A389 HydrophobicContact CD1-CB 3.87Å; L372-M429 CarbonylContact O-C 3.48Å; L372-M429 WeakPolarHBondContact O-CA 3.49Å; L372-V430 HydrophobicContact CB-CB 4.13Å; L372-V430 HydrophobicContact CD1-CG1 4.45Å; L372-V430 PolarHBondContact N-O 2.76Å; L372-V430 PolarHBondContact O-N 2.79Å; L372-L432 HydrophobicContact CD1-CD2 4.08Å; L372-L432 HydrophobicContact CD2-CD1 4.29Å; L372-L432 HydrophobicContact CG-CD1 4.47Å; L372-L432 HydrophobicContact CG-CD2 4.35Å; L372-L432 HydrophobicContact CG-CG 4.45Å
373	L	97.7	Very high	88.4	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.1	171.7	-158.2	67.6	0	0	0	109.5	A364 T365 I367 I427 M429 I555 V558 V576 I583	A364-L373 CarbonylContact C-O 3.55Å; A364-L373 WeakPolarHBondContact CA-O 3.17Å; T365-L373 PolarHBondContact N-O 2.98Å; T365-L373 PolarHBondContact O-N 2.77Å; I367-L373 HydrophobicContact CD1-CB 4.43Å; I367-L373 HydrophobicContact CD1-CD1 4.47Å; I367-L373 HydrophobicContact CG2-CB 3.85Å; I367-L373 HydrophobicContact CG2-CD2 4.45Å; L373-I427 HydrophobicContact CD1-CD1 3.76Å; L373-I427 HydrophobicContact CD1-CG1 3.74Å; L373-I427 HydrophobicContact CD2-CD1 3.96Å; L373-I427 HydrophobicContact CD2-CG1 4.46Å; L373-I427 HydrophobicContact CG-CD1 4.07Å; L373-I427 HydrophobicContact CG-CG1 4.06Å; L373-M429 HydrophobicContact CD1-CG 3.89Å; L373-I555 HydrophobicContact CD2-CD1 3.84Å; L373-V558 HydrophobicContact CD2-CG2 3.78Å; L373-V558 HydrophobicContact CG-CG2 3.98Å; L373-V576 HydrophobicContact CD2-CG1 4.1Å; L373-V576 HydrophobicContact CD2-CG2 4Å; L373-I583 HydrophobicContact CD1-CD1 4.12Å; L373-I583 HydrophobicContact CD1-CG1 4.14Å; L373-I583 HydrophobicContact CD2-CD1 4.2Å
374	T	95.2	Very high	86.6	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	-175.7	179.3	-167.8	0	0	0	0	110.6	L354 A363 I378 F379 A428 V430 G539 V558	L354-T374 HydrophobicContact CD1-CG2 4.32Å; A363-T374 PolarHBondContact O-OG1 3.08Å; T374-I378 HydrophobicContact CG2-CD1 4.37Å; T374-I378 WeakPolarHBondContact OG1-CD1 3.05Å; T374-F379 HydrophobicContact CG2-CE2 3.57Å; T374-F379 HydrophobicContact CG2-CZ 3.85Å; T374-A428 HydrophobicContact CG2-CB 4.23Å; T374-A428 PolarHBondContact N-O 2.92Å; T374-A428 PolarHBondContact O-N 2.98Å; T374-V430 HydrophobicContact CG2-CG2 3.78Å; T374-G539 VanDerWaalsContact OG1-CA 3.28Å; T374-G539 WeakPolarHBondContact OG1-CA 3.2Å; T374-V558 VanDerWaalsContact C-CG1 3.44Å
375	S	92.4	Very high	84.6	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.109	C	C	.	.			trans	-83.3	141.8	-178.2	-172.6	0	0	0	0	110.9	D377 I378 N426	S375-D377 WeakPolarHBondContact CB-OD1 3.5Å; S375-D377 PolarHBondContact OG-OD1 3.38Å; S375-I378 WeakPolarHBondContact O-CB 3.42Å; S375-N426 VanDerWaalsContact OG-CG 3.27Å; S375-N426 PolarHBondContact OG-ND2 3.15Å; S375-N426 VanDerWaalsContact OG-ND2 3.16Å; S375-N426 PolarHBondContact OG-OD1 3.41Å
376	A	90.4	Very high	83.5	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-73.8	-33.5	-179.1	0	0	0	0	0	113.3	I378 F379 V414 F418 N426 A428	A376-I378 PolarHBondContact O-N 3.21Å; A376-I378 VanDerWaalsContact O-N 3.08Å; A376-F379 PolarHBondContact O-N 3.48Å; A376-F379 VanDerWaalsContact O-N 3.09Å; A376-V414 HydrophobicContact CB-CB 4.39Å; A376-V414 HydrophobicContact CB-CG1 3.63Å; A376-V414 HydrophobicContact CB-CG2 4.12Å; A376-F418 HydrophobicContact CB-CB 4.29Å; A376-F418 HydrophobicContact CB-CD1 3.35Å; A376-F418 HydrophobicContact CB-CD2 4.11Å; A376-F418 HydrophobicContact CB-CE1 3.55Å; A376-F418 HydrophobicContact CB-CE2 4.3Å; A376-F418 HydrophobicContact CB-CG 3.63Å; A376-F418 HydrophobicContact CB-CZ 4.05Å; A376-N426 WeakPolarHBondContact CA-OD1 2.82Å; A376-N426 WeakPolarHBondContact CB-OD1 3.46Å; A376-N426 PolarHBondContact N-OD1 3.46Å; A376-A428 HydrophobicContact CB-CB 4.31Å
377	D	86.6	Confident	83	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.016	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-58.8	-19.6	179.4	73.8	-25.6	0	0	0	114.3	S375 F379 F418 N426 R561	S375-D377 WeakPolarHBondContact CB-OD1 3.5Å; S375-D377 PolarHBondContact OG-OD1 3.38Å; D377-F379 VanDerWaalsContact C-N 3.25Å; D377-F379 PolarHBondContact O-N 3.3Å; D377-F418 HydrophobicContact CB-CE1 4.38Å; D377-F418 HydrophobicContact CB-CZ 3.87Å; D377-N426 PolarHBondContact N-OD1 3.1Å; D377-R561 WeakPolarHBondContact OD2-CG 3.41Å; D377-R561 IonicContact OD2-CZ 4Å; D377-R561 IonicContact OD2-NE 3Å; D377-R561 PolarHBondContact OD2-NE 3.47Å; D377-R561 IonicContact OD2-NH2 3.89Å
378	I	85.9	Confident	82.8	Confident	3 Å²	3	30 Å²	30	2%	0.015	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-59.5	-37	175.2	-71.8	167.3	0	0	0	111.6	Y362 T374 S375 A376	Y362-I378 HydrophobicContact CD1-CD1 4.03Å; Y362-I378 HydrophobicContact CD1-CG1 3.66Å; Y362-I378 HydrophobicContact CD1-CG2 4.28Å; Y362-I378 HydrophobicContact CD2-CB 4.28Å; Y362-I378 HydrophobicContact CD2-CG1 4.23Å; Y362-I378 HydrophobicContact CD2-CG2 3.26Å; Y362-I378 HydrophobicContact CE1-CG1 4.09Å; Y362-I378 HydrophobicContact CE2-CB 4.49Å; Y362-I378 HydrophobicContact CE2-CG2 3.6Å; Y362-I378 HydrophobicContact CG-CB 4.28Å; Y362-I378 HydrophobicContact CG-CD1 3.84Å; Y362-I378 HydrophobicContact CG-CG1 3.73Å; Y362-I378 HydrophobicContact CG-CG2 3.63Å; T374-I378 HydrophobicContact CG2-CD1 4.37Å; T374-I378 WeakPolarHBondContact OG1-CD1 3.05Å; S375-I378 WeakPolarHBondContact O-CB 3.42Å; A376-I378 PolarHBondContact O-N 3.21Å; A376-I378 VanDerWaalsContact O-N 3.08Å
379	F	83.5	Confident	82.7	Confident	5 Å²	5	30 Å²	30	2%	0.022	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-8.9	-169.6	-54.7	-71.9	0	0	0	113.1	C239 L354 T374 A376 D377 Y381 S382 Y387 V412 V414 A428 V430	C239-F379 CarbonylContact O-C 3.6Å; C239-F379 WeakPolarHBondContact O-CB 3.16Å; L354-F379 HydrophobicContact CD1-CZ 4.09Å; T374-F379 HydrophobicContact CG2-CE2 3.57Å; T374-F379 HydrophobicContact CG2-CZ 3.85Å; A376-F379 PolarHBondContact O-N 3.48Å; A376-F379 VanDerWaalsContact O-N 3.09Å; D377-F379 VanDerWaalsContact C-N 3.25Å; D377-F379 PolarHBondContact O-N 3.3Å; F379-Y381 PolarHBondContact O-N 2.91Å; F379-Y381 VanDerWaalsContact O-N 3.14Å; F379-S382 PolarHBondContact O-N 2.87Å; F379-S382 PolarHBondContact O-OG 3.14Å; F379-Y387 HydrophobicContact CD1-CE2 4.07Å; F379-Y387 HydrophobicContact CE1-CD2 4.4Å; F379-Y387 HydrophobicContact CE1-CE1 4.48Å; F379-Y387 HydrophobicContact CE1-CE2 4.05Å; F379-V412 HydrophobicContact CB-CG1 4.46Å; F379-V412 HydrophobicContact CD1-CB 4.49Å; F379-V412 HydrophobicContact CD1-CG1 3.75Å; F379-V412 HydrophobicContact CD1-CG2 4.26Å; F379-V412 HydrophobicContact CD2-CG1 3.47Å; F379-V412 VanDerWaalsContact CD2-CG1 3.47Å; F379-V412 HydrophobicContact CE1-CB 4.38Å; F379-V412 HydrophobicContact CE1-CG1 3.72Å; F379-V412 HydrophobicContact CE1-CG2 3.79Å; F379-V412 HydrophobicContact CE2-CG1 3.43Å; F379-V412 VanDerWaalsContact CE2-CG1 3.43Å; F379-V412 HydrophobicContact CG-CG1 3.62Å; F379-V412 HydrophobicContact CZ-CB 4.49Å; F379-V412 HydrophobicContact CZ-CG1 3.56Å; F379-V412 HydrophobicContact CZ-CG2 4.07Å; F379-V414 HydrophobicContact CB-CG2 4.23Å; F379-V414 HydrophobicContact CD2-CG2 4.14Å; F379-A428 HydrophobicContact CD2-CB 3.95Å; F379-A428 HydrophobicContact CE2-CB 3.74Å; F379-V430 HydrophobicContact CE2-CG2 4.36Å; F379-V430 HydrophobicContact CZ-CG2 3.84Å
380	C	74.4	Confident	82.5	Confident	18 Å²	18	30 Å²	30	12%	0.122	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.3	179.3	-60	0	0	0	0	116.2	C239 F418 L420	C239-C380 VanDerWaalsContact CB-CA 3.44Å; C239-C380 HydrophobicContact CB-CB 3.74Å; C239-C380 WeakPolarHBondContact CB-SG 2.96Å; C239-C380 WeakPolarHBondContact SG-CA 3.16Å; C239-C380 WeakPolarHBondContact SG-CB 3.48Å; C239-C380 CovalentContact SG-SG 2.02Å; C239-C380 PolarHBondContact SG-SG 3.36Å; C380-F418 VanDerWaalsContact SG-CE1 3.57Å; C380-L420 HydrophobicContact CB-CD1 3.66Å; C380-L420 HydrophobicContact CB-CD2 4.2Å; C380-L420 HydrophobicContact CB-CG 4.36Å; C380-L420 VanDerWaalsContact SG-CD1 3.55Å
381	Y	65	Low	82.4	Confident	149 Å²	149	27 Å²	27	58%	0.584	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.3	7.8	-174	-54.9	-81.4	0	0	0	112.4	F379 L420	F379-Y381 PolarHBondContact O-N 2.91Å; F379-Y381 VanDerWaalsContact O-N 3.14Å; Y381-L420 HydrophobicContact CE1-CD2 4.09Å; Y381-L420 HydrophobicContact CE2-CD1 3.8Å; Y381-L420 HydrophobicContact CE2-CD2 4.48Å; Y381-L420 WeakPolarHBondContact OH-CD1 3.35Å; Y381-L420 WeakPolarHBondContact OH-CD2 3.07Å
382	S	59.4	Low	81.9	Confident	16 Å²	16	27.2 Å²	27.2	11%	0.112	14%	0.141	C	C	.	.			trans	-111.2	112.9	177.4	63.7	0	0	0	0	110.4	K356 F379 E384 Y387	K356-S382 VanDerWaalsContact NZ-CB 3.33Å; F379-S382 PolarHBondContact O-N 2.87Å; F379-S382 PolarHBondContact O-OG 3.14Å; S382-E384 PolarHBondContact O-N 2.83Å; S382-Y387 PolarHBondContact OG-OH 2.74Å
383	E	56	Low	81.3	Confident	140 Å²	140	27.5 Å²	27.5	65%	0.654	14%	0.143	S	C	*	.			trans	-55.3	121	146	-64.2	-177.7	-176.2	0	0	105.9	T385	E383-T385 PolarHBondContact O-N 3.43Å
384	E	54.4	Low	80.9	Confident	69 Å²	69	28.2 Å²	28.2	32%	0.322	15%	0.146	S	C	.	.			trans	-60.8	104.8	-163.8	-163.1	167.7	-155.7	0	0	111.2	R241 S382 V412	R241-E384 HydrophobicContact CB-CB 4.47Å; R241-E384 WeakPolarHBondContact CB-OE2 3.31Å; R241-E384 HydrophobicContact CG-CB 3.86Å; S382-E384 PolarHBondContact O-N 2.83Å; E384-V412 WeakPolarHBondContact OE1-CG2 3.14Å
385	T	55.5	Low	80.4	Confident	31 Å²	31	29.8 Å²	29.8	19%	0.19	16%	0.155	C	C	.	.			trans	-95.3	140.7	169.7	54.4	0	0	0	0	107.9	K356 Q357 E383 Y387	K356-T385 WeakPolarHBondContact CE-OG1 3.26Å; K356-T385 WeakPolarHBondContact CG-OG1 3.17Å; Q357-T385 HydrophobicContact CG-CG2 4.09Å; E383-T385 PolarHBondContact O-N 3.43Å; T385-Y387 WeakPolarHBondContact O-CD2 3.35Å; T385-Y387 PolarHBondContact O-N 3Å
386	S	75.1	Confident	79.8	Confident	91 Å²	91	31.6 Å²	31.6	64%	0.636	16%	0.164	S	C	*	.			trans	-32.5	95.7	173.5	58.9	0	0	0	0	113.3
387	Y	88.2	Confident	79.2	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	140.7	169.7	-78.3	-87.8	0	0	0	108.7	L354 F355 K356 F379 S382 T385 V409	L354-Y387 HydrophobicContact CB-CD1 4.2Å; F355-Y387 CarbonylContact O-C 3.42Å; F355-Y387 VanDerWaalsContact O-CA 3.25Å; F355-Y387 WeakPolarHBondContact O-CA 3.41Å; F355-Y387 WeakPolarHBondContact O-CD1 3.31Å; K356-Y387 HydrophobicContact CB-CD1 4.08Å; K356-Y387 HydrophobicContact CB-CE1 3.66Å; K356-Y387 HydrophobicContact CD-CE1 4.31Å; K356-Y387 HydrophobicContact CG-CD1 4.44Å; K356-Y387 HydrophobicContact CG-CE1 3.89Å; K356-Y387 HydrophobicContact CG-CE2 4.43Å; F379-Y387 HydrophobicContact CD1-CE2 4.07Å; F379-Y387 HydrophobicContact CE1-CD2 4.4Å; F379-Y387 HydrophobicContact CE1-CE1 4.48Å; F379-Y387 HydrophobicContact CE1-CE2 4.05Å; S382-Y387 PolarHBondContact OG-OH 2.74Å; T385-Y387 WeakPolarHBondContact O-CD2 3.35Å; T385-Y387 PolarHBondContact O-N 3Å; Y387-V409 WeakPolarHBondContact O-CB 3.25Å; Y387-V409 PolarHBondContact O-N 3.39Å
388	V	92.5	Very high	78.6	Confident	34 Å²	34	42.6 Å²	42.6	21%	0.206	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.8	171.2	-174.5	0	0	0	0	107.6	F355 W406 L407	F355-V388 HydrophobicContact CB-CB 4.48Å; F355-V388 PolarHBondContact N-O 3.13Å; F355-V388 PolarHBondContact O-N 3.4Å; V388-W406 HydrophobicContact CG1-CB 4.47Å; V388-W406 HydrophobicContact CG1-CE3 3.76Å; V388-W406 HydrophobicContact CG1-CZ3 4.49Å; V388-L407 WeakPolarHBondContact CG1-O 3.39Å
389	A	94.4	Very high	77.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.4	174	0	0	0	0	0	109.7	M353 L354 L372 W406 L407 L432	M353-A389 WeakPolarHBondContact O-CA 3.38Å; L354-A389 HydrophobicContact CD2-CB 4.24Å; L372-A389 HydrophobicContact CD1-CB 3.87Å; A389-W406 WeakPolarHBondContact O-CA 3.1Å; A389-L407 PolarHBondContact N-O 3.03Å; A389-L407 PolarHBondContact O-N 3.22Å; A389-L432 HydrophobicContact CB-CD2 3.62Å
390	A	93.6	Very high	76.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117	167.6	0	0	0	0	0	109.4	A352 M353 F355 F393 T404 I405 W406	A352-A390 WeakPolarHBondContact CA-O 3.29Å; M353-A390 HydrophobicContact CB-CB 4.4Å; M353-A390 PolarHBondContact N-O 2.84Å; M353-A390 PolarHBondContact O-N 2.77Å; F355-A390 HydrophobicContact CD2-CB 4.06Å; F355-A390 HydrophobicContact CE2-CB 3.63Å; A390-F393 HydrophobicContact CB-CB 4.18Å; A390-F393 HydrophobicContact CB-CD2 3.76Å; A390-F393 HydrophobicContact CB-CE2 4.46Å; A390-F393 HydrophobicContact CB-CG 4.19Å; A390-T404 HydrophobicContact CB-CG2 4.36Å; A390-I405 WeakPolarHBondContact CA-O 3.48Å; A390-W406 HydrophobicContact CB-CD2 4.19Å; A390-W406 HydrophobicContact CB-CE3 3.86Å; A390-W406 HydrophobicContact CB-CH2 3.9Å; A390-W406 HydrophobicContact CB-CZ2 4.19Å; A390-W406 HydrophobicContact CB-CZ3 3.73Å
391	I	93.7	Very high	77	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.3	-176.1	-72.8	148.7	0	0	0	109.7	A352 I366 F393 T404 I405 L407 L432 I436 V444	A352-I391 HydrophobicContact CB-CG1 3.99Å; I366-I391 HydrophobicContact CD1-CB 4.41Å; I366-I391 HydrophobicContact CD1-CG1 4.1Å; I366-I391 HydrophobicContact CD1-CG2 3.61Å; I391-F393 PolarHBondContact O-N 3.43Å; I391-T404 VanDerWaalsContact O-CA 3.3Å; I391-T404 WeakPolarHBondContact O-CA 3.28Å; I391-I405 HydrophobicContact CB-CB 4.34Å; I391-I405 PolarHBondContact N-O 2.78Å; I391-I405 PolarHBondContact O-N 3.34Å; I391-L407 HydrophobicContact CD1-CD1 3.94Å; I391-L432 HydrophobicContact CD1-CD1 3.97Å; I391-I436 HydrophobicContact CD1-CD1 3.56Å; I391-I436 HydrophobicContact CD1-CG1 3.7Å; I391-I436 HydrophobicContact CG1-CD1 4.31Å; I391-I436 HydrophobicContact CG2-CD1 4.3Å; I391-V444 HydrophobicContact CG2-CB 4.28Å; I391-V444 HydrophobicContact CG2-CG1 3.64Å; I391-V444 HydrophobicContact CG2-CG2 3.6Å
392	G	88.9	Confident	77.7	Confident	6 Å²	6	52.7 Å²	52.7	6%	0.062	28%	0.28	C	S	.	.	S	Bend	trans	68.9	15.1	-172.9	0	0	0	0	0	113.1
393	F	85.4	Confident	78.8	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.026	29%	0.288	C	S	.	.			trans	-81.5	143.2	-176.3	-165.6	-86.3	0	0	0	111.1	M353 F355 A390 I391 D395 L396 P399 T404 W406 W469	M353-F393 HydrophobicContact CB-CD1 4.35Å; F355-F393 HydrophobicContact CE2-CE2 4.42Å; F355-F393 HydrophobicContact CZ-CE2 4.12Å; F355-F393 HydrophobicContact CZ-CZ 4.11Å; A390-F393 HydrophobicContact CB-CB 4.18Å; A390-F393 HydrophobicContact CB-CD2 3.76Å; A390-F393 HydrophobicContact CB-CE2 4.46Å; A390-F393 HydrophobicContact CB-CG 4.19Å; I391-F393 PolarHBondContact O-N 3.43Å; F393-D395 VanDerWaalsContact CZ-O 3.27Å; F393-D395 WeakPolarHBondContact CZ-O 3.38Å; F393-L396 HydrophobicContact CE1-CD2 3.55Å; F393-L396 HydrophobicContact CE1-CG 4.04Å; F393-L396 HydrophobicContact CZ-CD2 3.75Å; F393-L396 HydrophobicContact CZ-CG 4.46Å; F393-P399 VanDerWaalsContact CE2-CA 3.41Å; F393-P399 HydrophobicContact CE2-CB 3.73Å; F393-P399 HydrophobicContact CZ-CB 4.07Å; F393-T404 HydrophobicContact CD2-CG2 3.95Å; F393-W406 HydrophobicContact CE2-CH2 4.46Å; F393-W406 HydrophobicContact CE2-CZ2 4.34Å; F393-W469 AromaticContact CD1-CZ2 3.93Å; F393-W469 HydrophobicContact CD1-CZ2 3.93Å; F393-W469 WeakPolarHBondContact O-CZ2 3.1Å
394	N	87.7	Confident	80.3	Confident	15 Å²	15	49.5 Å²	49.5	8%	0.08	26%	0.262	C	S	.	.			trans	-137.7	-40.6	177.9	-172	83.1	0	0	0	113.7	P345 W469 M476	P345-N394 HydrophobicContact CB-CB 4.29Å; P345-N394 HydrophobicContact CG-CB 4.48Å; N394-W469 PolarHBondContact O-NE1 3.31Å; N394-M476 PolarHBondContact O-N 3.26Å
395	D	85.9	Confident	82.1	Confident	32 Å²	32	47.9 Å²	47.9	17%	0.171	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-120.7	119.2	-173.5	-168.4	-14.2	0	0	0	111.5	F393 Q397 V398 L475	F393-D395 VanDerWaalsContact CZ-O 3.27Å; F393-D395 WeakPolarHBondContact CZ-O 3.38Å; D395-Q397 PolarHBondContact O-N 3.42Å; D395-Q397 WeakPolarHBondContact OD1-CB 3.3Å; D395-Q397 PolarHBondContact OD1-N 3.44Å; D395-V398 HydrophobicContact CB-CB 4.31Å; D395-V398 CarbonylContact O-C 3.54Å; D395-V398 VanDerWaalsContact O-C 3.23Å; D395-V398 PolarHBondContact O-N 3.25Å; D395-V398 VanDerWaalsContact O-N 3.12Å; D395-L475 HydrophobicContact CB-CD2 3.62Å; D395-L475 VanDerWaalsContact CG-CD2 3.46Å; D395-L475 WeakPolarHBondContact OD2-CD2 3.49Å
396	L	79.2	Confident	83.9	Confident	38 Å²	38	50.4 Å²	50.4	20%	0.199	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.7	175	-69.4	175.5	0	0	0	113.8	M353 F355 P360 F393 P474	M353-L396 HydrophobicContact CE-CD2 4.22Å; F355-L396 HydrophobicContact CZ-CD2 4.37Å; P360-L396 HydrophobicContact CB-CD1 4.43Å; P360-L396 HydrophobicContact CB-CD2 3.43Å; P360-L396 VanDerWaalsContact CB-CD2 3.43Å; P360-L396 HydrophobicContact CG-CD1 4.42Å; P360-L396 HydrophobicContact CG-CD2 3.8Å; F393-L396 HydrophobicContact CE1-CD2 3.55Å; F393-L396 HydrophobicContact CE1-CG 4.04Å; F393-L396 HydrophobicContact CZ-CD2 3.75Å; F393-L396 HydrophobicContact CZ-CG 4.46Å; L396-P474 HydrophobicContact CB-CB 3.97Å; L396-P474 PolarHBondContact N-O 2.98Å
397	Q	77.8	Confident	84.8	Confident	149 Å²	149	46.9 Å²	46.9	70%	0.696	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-20.1	175.9	-69	177.4	-18.4	0	0	112.8	D395 P399 P474	D395-Q397 PolarHBondContact O-N 3.42Å; D395-Q397 WeakPolarHBondContact OD1-CB 3.3Å; D395-Q397 PolarHBondContact OD1-N 3.44Å; Q397-P399 WeakPolarHBondContact O-CD 3.5Å; Q397-P474 HydrophobicContact CG-CB 3.7Å; Q397-P474 HydrophobicContact CG-CG 4.12Å
398	V	75.1	Confident	85.1	Confident	86 Å²	86	50.9 Å²	50.9	52%	0.521	26%	0.257	S	S	.	.			trans	-123.9	67.2	177.6	-171.2	0	0	0	0	108.9	D395 Q400	D395-V398 HydrophobicContact CB-CB 4.31Å; D395-V398 CarbonylContact O-C 3.54Å; D395-V398 VanDerWaalsContact O-C 3.23Å; D395-V398 PolarHBondContact O-N 3.25Å; D395-V398 VanDerWaalsContact O-N 3.12Å; V398-Q400 PolarHBondContact O-N 2.86Å
399	P	65.5	Low	85	Confident	49 Å²	49	50.3 Å²	50.3	32%	0.318	25%	0.253	S	S	.	.			trans	-69.9	-22.7	-170.6	27.9	-35.8	0	0	0	113.3	F393 Q397 W406	F393-P399 VanDerWaalsContact CE2-CA 3.41Å; F393-P399 HydrophobicContact CE2-CB 3.73Å; F393-P399 HydrophobicContact CZ-CB 4.07Å; Q397-P399 WeakPolarHBondContact O-CD 3.5Å; P399-W406 HydrophobicContact CB-CZ2 4.23Å
400	Q	66.7	Low	84.7	Confident	130 Å²	130	53.2 Å²	53.2	61%	0.607	27%	0.274	S	S	*	.			trans	-102.8	116.5	177.1	-64.1	-64.6	-20.4	0	0	108.9	V398 W406	V398-Q400 PolarHBondContact O-N 2.86Å; Q400-W406 VanDerWaalsContact NE2-NE1 3.19Å
401	S	76.1	Confident	84.4	Confident	35 Å²	35	57.3 Å²	57.3	25%	0.245	29%	0.289	C	S	.	.			trans	-135.3	158.6	167.6	79.5	0	0	0	0	108.9	W403 T404	S401-W403 PolarHBondContact O-N 2.85Å; S401-W403 PolarHBondContact OG-N 3.02Å; S401-T404 PolarHBondContact O-N 2.99Å; S401-T404 PolarHBondContact OG-N 2.99Å; S401-T404 PolarHBondContact OG-OG1 2.74Å
402	E	80.6	Confident	84.2	Confident	172 Å²	172	57.4 Å²	57.4	80%	0.804	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-17.3	175.5	68.6	-169.7	155.4	0	0	113.6
403	W	83	Confident	84.1	Confident	72 Å²	72	57.8 Å²	57.8	27%	0.273	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-11.4	-179.3	-53.3	96.6	0	0	0	113.4	S401 N441 R443	S401-W403 PolarHBondContact O-N 2.85Å; S401-W403 PolarHBondContact OG-N 3.02Å; W403-N441 HydrophobicContact CE3-CB 3.9Å; W403-N441 HydrophobicContact CZ3-CB 3.88Å; W403-R443 HydrophobicContact CB-CB 4.32Å; W403-R443 HydrophobicContact CB-CG 4.14Å; W403-R443 HydrophobicContact CD2-CG 4.35Å; W403-R443 HydrophobicContact CG-CG 4.1Å
404	T	88.1	Confident	84.3	Confident	18 Å²	18	57.8 Å²	57.8	11%	0.11	29%	0.291	C	S	.	.			trans	-85	125.7	-173.7	-55.7	0	0	0	0	110.6	A390 I391 F393 S401 W406	A390-T404 HydrophobicContact CB-CG2 4.36Å; I391-T404 VanDerWaalsContact O-CA 3.3Å; I391-T404 WeakPolarHBondContact O-CA 3.28Å; F393-T404 HydrophobicContact CD2-CG2 3.95Å; S401-T404 PolarHBondContact O-N 2.99Å; S401-T404 PolarHBondContact OG-N 2.99Å; S401-T404 PolarHBondContact OG-OG1 2.74Å; T404-W406 HydrophobicContact CG2-CZ2 4.36Å
405	I	92.1	Very high	84.4	Confident	35 Å²	35	57.9 Å²	57.9	18%	0.179	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122	-179.6	-51	178.3	0	0	0	108.1	A390 I391 L407 I436 P437 V444	A390-I405 WeakPolarHBondContact CA-O 3.48Å; I391-I405 HydrophobicContact CB-CB 4.34Å; I391-I405 PolarHBondContact N-O 2.78Å; I391-I405 PolarHBondContact O-N 3.34Å; I405-L407 HydrophobicContact CG2-CD1 4.23Å; I405-L407 HydrophobicContact CG2-CD2 4.4Å; I405-L407 HydrophobicContact CG2-CG 4.02Å; I405-I436 HydrophobicContact CD1-CG2 4.23Å; I405-P437 HydrophobicContact CD1-CG 4.44Å; I405-V444 HydrophobicContact CD1-CG2 4.47Å
406	W	92.9	Very high	84.2	Confident	84 Å²	84	58.8 Å²	58.8	32%	0.318	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.3	177.6	-64.2	89	0	0	0	109.5	F355 V388 A389 A390 F393 P399 Q400 T404	F355-W406 HydrophobicContact CD1-CH2 4.43Å; F355-W406 HydrophobicContact CD1-CZ3 4.31Å; F355-W406 HydrophobicContact CD2-CH2 4.07Å; F355-W406 AromaticContact CD2-CZ3 3.63Å; F355-W406 HydrophobicContact CD2-CZ3 3.63Å; F355-W406 HydrophobicContact CE1-CH2 4.05Å; F355-W406 HydrophobicContact CE1-CZ3 4.37Å; F355-W406 AromaticContact CE2-CH2 3.65Å; F355-W406 HydrophobicContact CE2-CH2 3.65Å; F355-W406 AromaticContact CE2-CZ3 3.69Å; F355-W406 HydrophobicContact CE2-CZ3 3.69Å; F355-W406 HydrophobicContact CG-CH2 4.45Å; F355-W406 AromaticContact CG-CZ3 3.97Å; F355-W406 HydrophobicContact CG-CZ3 3.97Å; F355-W406 AromaticContact CZ-CH2 3.65Å; F355-W406 HydrophobicContact CZ-CH2 3.65Å; F355-W406 HydrophobicContact CZ-CZ3 4.09Å; V388-W406 HydrophobicContact CG1-CB 4.47Å; V388-W406 HydrophobicContact CG1-CE3 3.76Å; V388-W406 HydrophobicContact CG1-CZ3 4.49Å; A389-W406 WeakPolarHBondContact O-CA 3.1Å; A390-W406 HydrophobicContact CB-CD2 4.19Å; A390-W406 HydrophobicContact CB-CE3 3.86Å; A390-W406 HydrophobicContact CB-CH2 3.9Å; A390-W406 HydrophobicContact CB-CZ2 4.19Å; A390-W406 HydrophobicContact CB-CZ3 3.73Å; F393-W406 HydrophobicContact CE2-CH2 4.46Å; F393-W406 HydrophobicContact CE2-CZ2 4.34Å; P399-W406 HydrophobicContact CB-CZ2 4.23Å; Q400-W406 VanDerWaalsContact NE2-NE1 3.19Å; T404-W406 HydrophobicContact CG2-CZ2 4.36Å
407	L	94.5	Very high	84.5	Confident	17 Å²	17	62.6 Å²	62.6	9%	0.089	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.4	-179.9	-67.6	173.9	0	0	0	109.9	V388 A389 I391 I405 L432 K434 I436	V388-L407 WeakPolarHBondContact CG1-O 3.39Å; A389-L407 PolarHBondContact N-O 3.03Å; A389-L407 PolarHBondContact O-N 3.22Å; I391-L407 HydrophobicContact CD1-CD1 3.94Å; I405-L407 HydrophobicContact CG2-CD1 4.23Å; I405-L407 HydrophobicContact CG2-CD2 4.4Å; I405-L407 HydrophobicContact CG2-CG 4.02Å; L407-L432 HydrophobicContact CB-CD2 4.09Å; L407-L432 HydrophobicContact CD1-CB 4.49Å; L407-L432 HydrophobicContact CD1-CD1 3.86Å; L407-K434 HydrophobicContact CD2-CB 4.22Å; L407-I436 HydrophobicContact CD1-CG1 3.8Å
408	N	93.4	Very high	84.9	Confident	90 Å²	90	55.6 Å²	55.6	48%	0.481	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.4	176.1	-64	-46.5	0	0	0	109.2	S410 D433	N408-S410 PolarHBondContact O-N 3.36Å; N408-D433 HydrophobicContact CB-CB 4.19Å; N408-D433 PolarHBondContact N-OD1 2.89Å; N408-D433 PolarHBondContact O-N 2.79Å; N408-D433 VanDerWaalsContact O-OD1 3.09Å
409	V	91.3	Very high	85.3	Confident	23 Å²	23	55.1 Å²	55.1	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	120.9	168.4	173.4	0	0	0	0	108.1	L354 Y387 V412 V430	L354-V409 HydrophobicContact CD2-CG2 4.34Å; Y387-V409 WeakPolarHBondContact O-CB 3.25Å; Y387-V409 PolarHBondContact O-N 3.39Å; V409-V412 HydrophobicContact CG1-CG2 3.8Å; V409-V430 HydrophobicContact CB-CG1 4.15Å; V409-V430 HydrophobicContact CG1-CG1 3.51Å; V409-V430 HydrophobicContact CG2-CG1 3.56Å
410	S	88.1	Confident	86	Confident	61 Å²	61	55.8 Å²	55.8	43%	0.427	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-30.3	175.6	64.5	0	0	0	0	113	N408 M431 L432	N408-S410 PolarHBondContact O-N 3.36Å; S410-M431 PolarHBondContact N-O 2.95Å; S410-M431 PolarHBondContact OG-O 3.29Å; S410-L432 PolarHBondContact OG-O 2.88Å
411	R	87	Confident	86.6	Confident	85 Å²	85	52.5 Å²	52.5	32%	0.321	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	143.7	-172.6	-170.2	176.8	-71.4	-76.8	-7.4	111.3	D242 I413 M431	D242-R411 HydrophobicContact CB-CG 4.48Å; D242-R411 IonicContact OD1-NH1 3.69Å; D242-R411 PolarHBondContact OD1-NH1 3.07Å; D242-R411 WeakPolarHBondContact OD2-CD 3.48Å; D242-R411 WeakPolarHBondContact OD2-CG 3.44Å; D242-R411 IonicContact OD2-CZ 3.61Å; D242-R411 IonicContact OD2-NE 2.86Å; D242-R411 IonicContact OD2-NH1 3.34Å; D242-R411 PolarHBondContact OD2-NH1 3.02Å; R411-I413 HydrophobicContact CG-CD1 4.45Å; R411-I413 HydrophobicContact CG-CG1 3.97Å; R411-M431 HydrophobicContact CB-CB 3.96Å; R411-M431 PolarHBondContact N-O 3.01Å; R411-M431 PolarHBondContact O-N 3.46Å
412	V	88.4	Confident	86.9	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.7	168.9	178.8	0	0	0	0	109	S240 D242 F379 E384 V409 M429 V430	S240-V412 PolarHBondContact OG-O 2.78Å; D242-V412 WeakPolarHBondContact CB-O 3.48Å; F379-V412 HydrophobicContact CB-CG1 4.46Å; F379-V412 HydrophobicContact CD1-CB 4.49Å; F379-V412 HydrophobicContact CD1-CG1 3.75Å; F379-V412 HydrophobicContact CD1-CG2 4.26Å; F379-V412 HydrophobicContact CD2-CG1 3.47Å; F379-V412 VanDerWaalsContact CD2-CG1 3.47Å; F379-V412 HydrophobicContact CE1-CB 4.38Å; F379-V412 HydrophobicContact CE1-CG1 3.72Å; F379-V412 HydrophobicContact CE1-CG2 3.79Å; F379-V412 HydrophobicContact CE2-CG1 3.43Å; F379-V412 VanDerWaalsContact CE2-CG1 3.43Å; F379-V412 HydrophobicContact CG-CG1 3.62Å; F379-V412 HydrophobicContact CZ-CB 4.49Å; F379-V412 HydrophobicContact CZ-CG1 3.56Å; F379-V412 HydrophobicContact CZ-CG2 4.07Å; E384-V412 WeakPolarHBondContact OE1-CG2 3.14Å; V409-V412 HydrophobicContact CG1-CG2 3.8Å; V412-M429 CarbonylContact C-O 3.42Å; V412-M429 WeakPolarHBondContact CA-O 3.23Å; V412-V430 HydrophobicContact CG2-CG2 4.39Å
413	I	87.3	Confident	87	Confident	13 Å²	13	47.4 Å²	47.4	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	102.5	-178.7	-51.5	174.5	0	0	0	108.7	W371 R411 A428 M429 F582 M586 F590	W371-I413 HydrophobicContact CH2-CD1 3.7Å; W371-I413 HydrophobicContact CZ3-CD1 3.84Å; R411-I413 HydrophobicContact CG-CD1 4.45Å; R411-I413 HydrophobicContact CG-CG1 3.97Å; I413-A428 CarbonylContact O-C 3.53Å; I413-A428 VanDerWaalsContact O-CA 3.24Å; I413-A428 WeakPolarHBondContact O-CA 3.35Å; I413-M429 HydrophobicContact CB-CB 4.45Å; I413-M429 PolarHBondContact N-O 3.27Å; I413-M429 PolarHBondContact O-N 2.77Å; I413-F582 HydrophobicContact CG2-CE2 4.23Å; I413-F582 HydrophobicContact CG2-CZ 4.14Å; I413-M586 HydrophobicContact CD1-CB 4.27Å; I413-M586 HydrophobicContact CD1-CG 4.35Å; I413-M586 HydrophobicContact CD1-SD 4.16Å; I413-M586 HydrophobicContact CG2-CG 4.28Å; I413-M586 HydrophobicContact CG2-SD 3.78Å; I413-F590 HydrophobicContact CD1-CD2 3.55Å; I413-F590 HydrophobicContact CD1-CE2 3.36Å; I413-F590 HydrophobicContact CD1-CG 4.3Å; I413-F590 HydrophobicContact CD1-CZ 3.95Å; I413-F590 HydrophobicContact CG1-CE2 4.5Å
414	V	89.1	Confident	87.2	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	141.2	170.3	168.1	0	0	0	0	110	T237 C239 A376 F379 F418 A428	T237-V414 HydrophobicContact CG2-CG1 4.18Å; C239-V414 HydrophobicContact CB-CG1 4.48Å; C239-V414 HydrophobicContact CB-CG2 4.28Å; A376-V414 HydrophobicContact CB-CB 4.39Å; A376-V414 HydrophobicContact CB-CG1 3.63Å; A376-V414 HydrophobicContact CB-CG2 4.12Å; F379-V414 HydrophobicContact CB-CG2 4.23Å; F379-V414 HydrophobicContact CD2-CG2 4.14Å; V414-F418 HydrophobicContact CG1-CB 3.92Å; V414-F418 HydrophobicContact CG1-CD1 3.85Å; V414-F418 HydrophobicContact CG1-CG 4.27Å; V414-A428 HydrophobicContact CG2-CB 4.06Å
415	H	89.6	Confident	87.4	Confident	16 Å²	16	46.3 Å²	46.3	7%	0.074	24%	0.243	C	C	.	.			trans	-56.1	129	174.9	-170.1	-72.9	0	0	0	111.2	K417 F418 Y425 I427 F582	H415-K417 PolarHBondContact ND1-N 3.29Å; H415-K417 PolarHBondContact O-N 2.62Å; H415-F418 VanDerWaalsContact O-CB 3.27Å; H415-F418 WeakPolarHBondContact O-CB 3.5Å; H415-F418 PolarHBondContact O-N 3.48Å; H415-Y425 WeakPolarHBondContact CB-O 3.26Å; H415-Y425 AromaticContact CE1-CD1 3.07Å; H415-Y425 WeakPolarHBondContact CE1-CD1 3.46Å; H415-Y425 AromaticContact CE1-CE1 3.63Å; H415-Y425 AromaticContact CE1-CG 3.86Å; H415-Y425 AromaticContact ND1-CD1 3.39Å; H415-Y425 WeakPolarHBondContact ND1-CD1 3.29Å; H415-Y425 AromaticContact ND1-CG 3.71Å; H415-Y425 AromaticContact NE2-CD1 3.56Å; H415-I427 HydrophobicContact CB-CG2 3.61Å; H415-I427 VanDerWaalsContact CB-O 3.31Å; H415-I427 WeakPolarHBondContact CB-O 3.48Å; H415-I427 PolarHBondContact N-O 2.83Å; H415-F582 HydrophobicContact CB-CE1 4.3Å; H415-F582 HydrophobicContact CB-CZ 4.2Å; H415-F582 AromaticContact CD2-CD1 3.63Å; H415-F582 AromaticContact CD2-CD2 3.81Å; H415-F582 AromaticContact CD2-CG 3.49Å; H415-F582 VanDerWaalsContact CD2-CG 3.49Å; H415-F582 WeakPolarHBondContact CD2-CG 3.03Å
416	P	82.9	Confident	87.4	Confident	51 Å²	51	44.7 Å²	44.7	33%	0.331	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.6	-168.3	25	-36.2	0	0	0	115.2
417	K	85.8	Confident	87.4	Confident	118 Å²	118	40.7 Å²	40.7	51%	0.513	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	4	176.9	-61.3	-174.8	177.5	-177.7	0	113.9	H415 Y425	H415-K417 PolarHBondContact ND1-N 3.29Å; H415-K417 PolarHBondContact O-N 2.62Å; K417-Y425 HydrophobicContact CB-CD1 3.95Å; K417-Y425 HydrophobicContact CB-CD2 3.66Å; K417-Y425 HydrophobicContact CB-CE1 4.12Å; K417-Y425 HydrophobicContact CB-CE2 3.88Å; K417-Y425 HydrophobicContact CB-CG 3.71Å; K417-Y425 HydrophobicContact CD-CD1 4.34Å; K417-Y425 HydrophobicContact CD-CE1 3.71Å; K417-Y425 HydrophobicContact CD-CE2 4.06Å; K417-Y425 HydrophobicContact CG-CE1 4.49Å
418	F	86.5	Confident	87.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	22%	0.215	C	C	.	.			trans	-76.7	134.7	179.4	178.6	-113.8	0	0	0	110.9	A376 D377 C380 V414 H415 E422 D424 N426	A376-F418 HydrophobicContact CB-CB 4.29Å; A376-F418 HydrophobicContact CB-CD1 3.35Å; A376-F418 HydrophobicContact CB-CD2 4.11Å; A376-F418 HydrophobicContact CB-CE1 3.55Å; A376-F418 HydrophobicContact CB-CE2 4.3Å; A376-F418 HydrophobicContact CB-CG 3.63Å; A376-F418 HydrophobicContact CB-CZ 4.05Å; D377-F418 HydrophobicContact CB-CE1 4.38Å; D377-F418 HydrophobicContact CB-CZ 3.87Å; C380-F418 VanDerWaalsContact SG-CE1 3.57Å; V414-F418 HydrophobicContact CG1-CB 3.92Å; V414-F418 HydrophobicContact CG1-CD1 3.85Å; V414-F418 HydrophobicContact CG1-CG 4.27Å; H415-F418 VanDerWaalsContact O-CB 3.27Å; H415-F418 WeakPolarHBondContact O-CB 3.5Å; H415-F418 PolarHBondContact O-N 3.48Å; F418-E422 WeakPolarHBondContact CE2-O 3.44Å; F418-D424 WeakPolarHBondContact CD2-O 3.06Å; F418-N426 VanDerWaalsContact CD2-CA 3.46Å; F418-N426 HydrophobicContact CD2-CB 3.89Å; F418-N426 HydrophobicContact CE2-CB 3.48Å; F418-N426 VanDerWaalsContact CE2-CB 3.48Å; F418-N426 HydrophobicContact CZ-CB 4.33Å
419	H	81.7	Confident	87.4	Confident	77 Å²	77	35.6 Å²	35.6	36%	0.356	19%	0.192	S	C	.	.			trans	-119.4	140.9	169.3	-54.9	106.4	0	0	0	110	G421 E422	H419-G421 PolarHBondContact O-N 2.79Å; H419-E422 HydrophobicContact CB-CG 4.16Å; H419-E422 IonicContact CG-OE1 3.17Å; H419-E422 IonicContact CG-OE2 3.02Å; H419-E422 IonicContact ND1-OE1 3.03Å; H419-E422 PolarHBondContact ND1-OE1 3.08Å; H419-E422 IonicContact ND1-OE2 3.5Å; H419-E422 PolarHBondContact ND1-OE2 3.06Å; H419-E422 WeakPolarHBondContact O-CB 3.46Å; H419-E422 PolarHBondContact O-N 3.27Å; H419-E422 VanDerWaalsContact O-N 3.11Å
420	L	80.9	Confident	87.5	Confident	63 Å²	63	34.6 Å²	34.6	33%	0.33	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	130.5	178.2	178.4	62.4	0	0	0	110.4	C380 Y381	C380-L420 HydrophobicContact CB-CD1 3.66Å; C380-L420 HydrophobicContact CB-CD2 4.2Å; C380-L420 HydrophobicContact CB-CG 4.36Å; C380-L420 VanDerWaalsContact SG-CD1 3.55Å; Y381-L420 HydrophobicContact CE1-CD2 4.09Å; Y381-L420 HydrophobicContact CE2-CD1 3.8Å; Y381-L420 HydrophobicContact CE2-CD2 4.48Å; Y381-L420 WeakPolarHBondContact OH-CD1 3.35Å; Y381-L420 WeakPolarHBondContact OH-CD2 3.07Å
421	G	78.8	Confident	87.8	Confident	61 Å²	61	32.2 Å²	32.2	63%	0.629	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.1	-16.8	-176.5	0	0	0	0	0	114	H419	H419-G421 PolarHBondContact O-N 2.79Å
422	E	82	Confident	88.2	Confident	89 Å²	89	28.2 Å²	28.2	42%	0.416	15%	0.153	S	C	.	.			trans	-89.2	154.8	175	-64	178.6	-167.2	0	0	111.6	F418 H419	F418-E422 WeakPolarHBondContact CE2-O 3.44Å; H419-E422 HydrophobicContact CB-CG 4.16Å; H419-E422 IonicContact CG-OE1 3.17Å; H419-E422 IonicContact CG-OE2 3.02Å; H419-E422 IonicContact ND1-OE1 3.03Å; H419-E422 PolarHBondContact ND1-OE1 3.08Å; H419-E422 IonicContact ND1-OE2 3.5Å; H419-E422 PolarHBondContact ND1-OE2 3.06Å; H419-E422 WeakPolarHBondContact O-CB 3.46Å; H419-E422 PolarHBondContact O-N 3.27Å; H419-E422 VanDerWaalsContact O-N 3.11Å
423	V	84	Confident	88.4	Confident	10 Å²	10	30.3 Å²	30.3	6%	0.061	17%	0.165	C	C	.	.			trans	-93.5	-23.6	167.6	-176	0	0	0	0	111.4	Y425 N426 V503 H564 Q572	V423-Y425 PolarHBondContact O-N 2.91Å; V423-N426 VanDerWaalsContact O-CB 3.28Å; V423-N426 WeakPolarHBondContact O-CB 3.15Å; V423-N426 PolarHBondContact O-N 2.93Å; V423-V503 HydrophobicContact CB-CG2 4.31Å; V423-V503 HydrophobicContact CG1-CG1 4.01Å; V423-V503 HydrophobicContact CG1-CG2 4.25Å; V423-H564 HydrophobicContact CG2-CB 4.31Å; V423-H564 WeakPolarHBondContact CG2-ND1 3.41Å; V423-Q572 HydrophobicContact CB-CB 4.31Å; V423-Q572 HydrophobicContact CG1-CB 3.85Å; V423-Q572 HydrophobicContact CG2-CB 4.03Å
424	D	87.7	Confident	88.7	Confident	25 Å²	25	36.2 Å²	36.2	13%	0.134	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	137	177.6	-160.2	-8.5	0	0	0	109.6	F418 N426 S500 N502 V503 K579	F418-D424 WeakPolarHBondContact CD2-O 3.06Å; D424-N426 PolarHBondContact O-N 2.84Å; D424-S500 WeakPolarHBondContact OD2-CB 3.37Å; D424-S500 PolarHBondContact OD2-OG 3.22Å; D424-N502 WeakPolarHBondContact OD1-CB 3.48Å; D424-N502 PolarHBondContact OD1-ND2 3.42Å; D424-N502 VanDerWaalsContact OD1-ND2 3.14Å; D424-N502 PolarHBondContact OD2-ND2 3.28Å; D424-V503 HydrophobicContact CB-CG2 4.16Å; D424-K579 IonicContact OD1-NZ 3.78Å
425	Y	90.7	Very high	89.1	Confident	43 Å²	43	39 Å²	39	17%	0.169	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	17.7	-177.7	-52.7	-81.7	0	0	0	115.1	H415 K417 V423 I427 N502 K579	H415-Y425 WeakPolarHBondContact CB-O 3.26Å; H415-Y425 AromaticContact CE1-CD1 3.07Å; H415-Y425 WeakPolarHBondContact CE1-CD1 3.46Å; H415-Y425 AromaticContact CE1-CE1 3.63Å; H415-Y425 AromaticContact CE1-CG 3.86Å; H415-Y425 AromaticContact ND1-CD1 3.39Å; H415-Y425 WeakPolarHBondContact ND1-CD1 3.29Å; H415-Y425 AromaticContact ND1-CG 3.71Å; H415-Y425 AromaticContact NE2-CD1 3.56Å; K417-Y425 HydrophobicContact CB-CD1 3.95Å; K417-Y425 HydrophobicContact CB-CD2 3.66Å; K417-Y425 HydrophobicContact CB-CE1 4.12Å; K417-Y425 HydrophobicContact CB-CE2 3.88Å; K417-Y425 HydrophobicContact CB-CG 3.71Å; K417-Y425 HydrophobicContact CD-CD1 4.34Å; K417-Y425 HydrophobicContact CD-CE1 3.71Å; K417-Y425 HydrophobicContact CD-CE2 4.06Å; K417-Y425 HydrophobicContact CG-CE1 4.49Å; V423-Y425 PolarHBondContact O-N 2.91Å; Y425-I427 PolarHBondContact O-N 3.04Å; Y425-N502 VanDerWaalsContact CZ-ND2 3.27Å; Y425-N502 PolarHBondContact OH-ND2 2.92Å; Y425-N502 VanDerWaalsContact OH-ND2 3.09Å; Y425-K579 HydrophobicContact CD1-CD 4Å; Y425-K579 HydrophobicContact CE1-CD 4.42Å
426	N	91.9	Very high	89.4	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.199	C	C	.	.			trans	-70.9	71.7	177.8	-168.4	6.3	0	0	0	112	S375 A376 D377 F418 V423 D424 P560 T574	S375-N426 VanDerWaalsContact OG-CG 3.27Å; S375-N426 PolarHBondContact OG-ND2 3.15Å; S375-N426 VanDerWaalsContact OG-ND2 3.16Å; S375-N426 PolarHBondContact OG-OD1 3.41Å; A376-N426 WeakPolarHBondContact CA-OD1 2.82Å; A376-N426 WeakPolarHBondContact CB-OD1 3.46Å; A376-N426 PolarHBondContact N-OD1 3.46Å; D377-N426 PolarHBondContact N-OD1 3.1Å; F418-N426 VanDerWaalsContact CD2-CA 3.46Å; F418-N426 HydrophobicContact CD2-CB 3.89Å; F418-N426 HydrophobicContact CE2-CB 3.48Å; F418-N426 VanDerWaalsContact CE2-CB 3.48Å; F418-N426 HydrophobicContact CZ-CB 4.33Å; V423-N426 VanDerWaalsContact O-CB 3.28Å; V423-N426 WeakPolarHBondContact O-CB 3.15Å; V423-N426 PolarHBondContact O-N 2.93Å; D424-N426 PolarHBondContact O-N 2.84Å; N426-P560 WeakPolarHBondContact ND2-CB 3.48Å; N426-T574 WeakPolarHBondContact O-CG2 3.32Å
427	I	94	Very high	89.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.			trans	-146	137.3	-176.4	-162.3	169.4	0	0	0	109.5	L373 H415 Y425 V558 T574 V576 K579 F582 I583	L373-I427 HydrophobicContact CD1-CD1 3.76Å; L373-I427 HydrophobicContact CD1-CG1 3.74Å; L373-I427 HydrophobicContact CD2-CD1 3.96Å; L373-I427 HydrophobicContact CD2-CG1 4.46Å; L373-I427 HydrophobicContact CG-CD1 4.07Å; L373-I427 HydrophobicContact CG-CG1 4.06Å; H415-I427 HydrophobicContact CB-CG2 3.61Å; H415-I427 VanDerWaalsContact CB-O 3.31Å; H415-I427 WeakPolarHBondContact CB-O 3.48Å; H415-I427 PolarHBondContact N-O 2.83Å; Y425-I427 PolarHBondContact O-N 3.04Å; I427-V558 HydrophobicContact CD1-CG2 4.29Å; I427-V558 HydrophobicContact CG1-CG2 4.18Å; I427-T574 HydrophobicContact CB-CG2 3.85Å; I427-T574 HydrophobicContact CD1-CG2 4.12Å; I427-T574 HydrophobicContact CG1-CG2 4.2Å; I427-V576 HydrophobicContact CD1-CG2 4.34Å; I427-K579 HydrophobicContact CD1-CB 4.07Å; I427-K579 HydrophobicContact CD1-CG 4.25Å; I427-K579 HydrophobicContact CG2-CB 4.47Å; I427-K579 HydrophobicContact CG2-CG 4.2Å; I427-F582 HydrophobicContact CG2-CD1 4.36Å; I427-F582 HydrophobicContact CG2-CE1 4.2Å; I427-I583 HydrophobicContact CD1-CD1 4.18Å
428	A	93.1	Very high	90	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.4	174.5	0	0	0	0	0	110.4	T374 A376 F379 I413 V414	T374-A428 HydrophobicContact CG2-CB 4.23Å; T374-A428 PolarHBondContact N-O 2.92Å; T374-A428 PolarHBondContact O-N 2.98Å; A376-A428 HydrophobicContact CB-CB 4.31Å; F379-A428 HydrophobicContact CD2-CB 3.95Å; F379-A428 HydrophobicContact CE2-CB 3.74Å; I413-A428 CarbonylContact O-C 3.53Å; I413-A428 VanDerWaalsContact O-CA 3.24Å; I413-A428 WeakPolarHBondContact O-CA 3.35Å; V414-A428 HydrophobicContact CG2-CB 4.06Å
429	M	94.5	Very high	90	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.8	173.5	-68.2	-176.9	75.7	0	0	109.8	I367 W371 L372 L373 V412 I413 F582 I583 M586 M587	I367-M429 HydrophobicContact CD1-CE 4.1Å; W371-M429 HydrophobicContact CB-CE 4.35Å; W371-M429 HydrophobicContact CD2-CE 3.81Å; W371-M429 HydrophobicContact CE3-CB 3.83Å; W371-M429 HydrophobicContact CE3-CE 3.61Å; W371-M429 HydrophobicContact CG-CE 4.15Å; W371-M429 HydrophobicContact CZ3-CB 3.84Å; W371-M429 HydrophobicContact CZ3-CE 4.13Å; L372-M429 CarbonylContact O-C 3.48Å; L372-M429 WeakPolarHBondContact O-CA 3.49Å; L373-M429 HydrophobicContact CD1-CG 3.89Å; V412-M429 CarbonylContact C-O 3.42Å; V412-M429 WeakPolarHBondContact CA-O 3.23Å; I413-M429 HydrophobicContact CB-CB 4.45Å; I413-M429 PolarHBondContact N-O 3.27Å; I413-M429 PolarHBondContact O-N 2.77Å; M429-F582 HydrophobicContact CG-CE1 3.95Å; M429-F582 HydrophobicContact CG-CZ 4.4Å; M429-F582 HydrophobicContact SD-CD1 4.46Å; M429-F582 HydrophobicContact SD-CE1 4.02Å; M429-F582 HydrophobicContact SD-CZ 4.41Å; M429-I583 HydrophobicContact CE-CG2 4.06Å; M429-I583 WeakPolarHBondContact CE-O 3.45Å; M429-I583 HydrophobicContact SD-CB 4.31Å; M429-I583 HydrophobicContact SD-CG1 4.3Å; M429-I583 HydrophobicContact SD-CG2 4.42Å; M429-M586 HydrophobicContact CE-CB 4.18Å; M429-M586 HydrophobicContact SD-CB 3.56Å; M429-M586 VanDerWaalsContact SD-CB 3.56Å; M429-M586 HydrophobicContact SD-CG 3.86Å; M429-M587 HydrophobicContact CE-CG 3.87Å
430	V	94	Very high	90.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.9	178.6	179.9	0	0	0	0	107.9	L354 W371 L372 T374 F379 V409 V412	L354-V430 HydrophobicContact CD1-CG2 4.42Å; L354-V430 HydrophobicContact CD2-CG1 4.4Å; W371-V430 WeakPolarHBondContact CA-O 3.33Å; L372-V430 HydrophobicContact CB-CB 4.13Å; L372-V430 HydrophobicContact CD1-CG1 4.45Å; L372-V430 PolarHBondContact N-O 2.76Å; L372-V430 PolarHBondContact O-N 2.79Å; T374-V430 HydrophobicContact CG2-CG2 3.78Å; F379-V430 HydrophobicContact CE2-CG2 4.36Å; F379-V430 HydrophobicContact CZ-CG2 3.84Å; V409-V430 HydrophobicContact CB-CG1 4.15Å; V409-V430 HydrophobicContact CG1-CG1 3.51Å; V409-V430 HydrophobicContact CG2-CG1 3.56Å; V412-V430 HydrophobicContact CG2-CG2 4.39Å
431	M	93.8	Very high	90.6	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.059	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.4	178.3	-166	178.5	176.1	0	0	110	R370 W371 S410 R411 F590 E591	R370-M431 HydrophobicContact CG-CG 4.44Å; W371-M431 HydrophobicContact CD2-CB 4.37Å; W371-M431 HydrophobicContact CD2-CG 4.36Å; W371-M431 HydrophobicContact CE3-CB 3.91Å; W371-M431 HydrophobicContact CE3-CG 4.38Å; W371-M431 HydrophobicContact CH2-CB 3.71Å; W371-M431 HydrophobicContact CH2-CG 3.87Å; W371-M431 HydrophobicContact CH2-SD 3.82Å; W371-M431 HydrophobicContact CZ2-CB 4.12Å; W371-M431 HydrophobicContact CZ2-CE 4.37Å; W371-M431 HydrophobicContact CZ2-CG 3.76Å; W371-M431 HydrophobicContact CZ2-SD 3.67Å; W371-M431 HydrophobicContact CZ3-CB 3.59Å; W371-M431 HydrophobicContact CZ3-CG 4.17Å; S410-M431 PolarHBondContact N-O 2.95Å; S410-M431 PolarHBondContact OG-O 3.29Å; R411-M431 HydrophobicContact CB-CB 3.96Å; R411-M431 PolarHBondContact N-O 3.01Å; R411-M431 PolarHBondContact O-N 3.46Å; M431-F590 HydrophobicContact SD-CB 4.08Å; M431-E591 HydrophobicContact CE-CG 4.32Å
432	L	95	Very high	91	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	144.3	174.7	-57.1	170.4	0	0	0	110.3	R370 L372 A389 I391 L407 S410 K434 I436	R370-L432 PolarHBondContact NE-O 3Å; R370-L432 PolarHBondContact O-N 3.44Å; L372-L432 HydrophobicContact CD1-CD2 4.08Å; L372-L432 HydrophobicContact CD2-CD1 4.29Å; L372-L432 HydrophobicContact CG-CD1 4.47Å; L372-L432 HydrophobicContact CG-CD2 4.35Å; L372-L432 HydrophobicContact CG-CG 4.45Å; A389-L432 HydrophobicContact CB-CD2 3.62Å; I391-L432 HydrophobicContact CD1-CD1 3.97Å; L407-L432 HydrophobicContact CB-CD2 4.09Å; L407-L432 HydrophobicContact CD1-CB 4.49Å; L407-L432 HydrophobicContact CD1-CD1 3.86Å; S410-L432 PolarHBondContact OG-O 2.88Å; L432-K434 WeakPolarHBondContact CB-O 3.43Å; L432-K434 PolarHBondContact O-N 3.2Å; L432-I436 HydrophobicContact CD1-CD1 3.98Å; L432-I436 HydrophobicContact CD1-CG1 3.78Å
433	D	93.1	Very high	91.5	Very high	48 Å²	48	40.6 Å²	40.6	26%	0.257	21%	0.209	S	C	.	.	S	Bend	trans	-59.4	-35.5	176.4	69.8	-30.4	0	0	0	112.2	N408	N408-D433 HydrophobicContact CB-CB 4.19Å; N408-D433 PolarHBondContact N-OD1 2.89Å; N408-D433 PolarHBondContact O-N 2.79Å; N408-D433 VanDerWaalsContact O-OD1 3.09Å
434	K	94.6	Very high	92	Very high	137 Å²	137	40.2 Å²	40.2	60%	0.596	21%	0.206	S	C	*	.	S	Bend	trans	-128.9	157	176	-60	173.8	-172.5	174.3	0	110.6	L407 L432	L407-K434 HydrophobicContact CD2-CB 4.22Å; L432-K434 WeakPolarHBondContact CB-O 3.43Å; L432-K434 PolarHBondContact O-N 3.2Å
435	E	95.8	Very high	92.4	Very high	66 Å²	66	39.7 Å²	39.7	31%	0.308	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-67.2	142.9	169.3	-66	-175.5	-167.9	0	0	110.3	K319 P369 R370	K319-E435 VanDerWaalsContact NZ-CD 3.26Å; K319-E435 IonicContact NZ-OE1 3.07Å; K319-E435 PolarHBondContact NZ-OE1 2.93Å; K319-E435 IonicContact NZ-OE2 3.58Å; K319-E435 PolarHBondContact NZ-OE2 3.39Å; P369-E435 HydrophobicContact CB-CB 4.28Å; P369-E435 CarbonylContact O-C 3.48Å; P369-E435 WeakPolarHBondContact O-CA 3.24Å; R370-E435 HydrophobicContact CB-CG 4.24Å; R370-E435 HydrophobicContact CG-CG 4.29Å
436	I	95.9	Very high	92.7	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-56.5	126.9	164.9	-62	171.9	0	0	0	107.6	I366 P369 I391 I405 L407 L432 M438 F440 V444	I366-I436 HydrophobicContact CD1-CD1 4.25Å; I366-I436 HydrophobicContact CG2-CD1 3.65Å; P369-I436 WeakPolarHBondContact O-CB 3.48Å; P369-I436 VanDerWaalsContact O-CG1 3.28Å; P369-I436 WeakPolarHBondContact O-CG1 3.25Å; P369-I436 PolarHBondContact O-N 3.08Å; I391-I436 HydrophobicContact CD1-CD1 3.56Å; I391-I436 HydrophobicContact CD1-CG1 3.7Å; I391-I436 HydrophobicContact CG1-CD1 4.31Å; I391-I436 HydrophobicContact CG2-CD1 4.3Å; I405-I436 HydrophobicContact CD1-CG2 4.23Å; L407-I436 HydrophobicContact CD1-CG1 3.8Å; L432-I436 HydrophobicContact CD1-CD1 3.98Å; L432-I436 HydrophobicContact CD1-CG1 3.78Å; I436-M438 PolarHBondContact O-N 2.77Å; I436-F440 HydrophobicContact CB-CE1 4.01Å; I436-F440 HydrophobicContact CG2-CD1 3.84Å; I436-F440 HydrophobicContact CG2-CE1 3.66Å; I436-V444 HydrophobicContact CG2-CG1 3.8Å
437	P	93.5	Very high	93	Very high	81 Å²	81	37.7 Å²	37.7	53%	0.526	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-51.6	134.2	179.1	-27.8	33.5	0	0	0	112.8	I405	I405-P437 HydrophobicContact CD1-CG 4.44Å
438	M	89.4	Confident	93	Very high	82 Å²	82	38.2 Å²	38.2	40%	0.404	20%	0.2	S	C	.	.	S	Bend	trans	-112.1	146.9	175.6	-75.1	-69	-78.2	0	0	110.6	I436 F440	I436-M438 PolarHBondContact O-N 2.77Å; M438-F440 HydrophobicContact CE-CD2 4.29Å; M438-F440 HydrophobicContact CE-CE2 4.31Å; M438-F440 HydrophobicContact CG-CD1 4.44Å; M438-F440 HydrophobicContact CG-CE1 4.26Å; M438-F440 HydrophobicContact SD-CB 4.35Å; M438-F440 HydrophobicContact SD-CD1 3.28Å; M438-F440 WeakPolarHBondContact SD-CD1 3.32Å; M438-F440 HydrophobicContact SD-CD2 3.65Å; M438-F440 HydrophobicContact SD-CE1 3.31Å; M438-F440 WeakPolarHBondContact SD-CE1 3.28Å; M438-F440 HydrophobicContact SD-CE2 3.7Å; M438-F440 HydrophobicContact SD-CG 3.45Å; M438-F440 WeakPolarHBondContact SD-CG 3.49Å; M438-F440 HydrophobicContact SD-CZ 3.53Å; M438-F440 VanDerWaalsContact SD-CZ 3.53Å
439	P	86.7	Confident	93.1	Very high	121 Å²	121	39.6 Å²	39.6	79%	0.786	21%	0.207	S	C	*	.	S	Bend	cis	-67.2	150.7	-1.9	30.6	-35.8	0	0	0	111.7
440	F	90.2	Very high	93	Very high	34 Å²	34	39.8 Å²	39.8	15%	0.149	21%	0.208	C	C	.	.			trans	-62.5	161.8	174.6	-59.2	-47.2	0	0	0	111.6	P369 I436 M438 V444 N445 T446	P369-F440 HydrophobicContact CB-CE1 4.43Å; P369-F440 HydrophobicContact CB-CZ 4.32Å; P369-F440 HydrophobicContact CG-CE1 4.41Å; P369-F440 HydrophobicContact CG-CZ 3.89Å; I436-F440 HydrophobicContact CB-CE1 4.01Å; I436-F440 HydrophobicContact CG2-CD1 3.84Å; I436-F440 HydrophobicContact CG2-CE1 3.66Å; M438-F440 HydrophobicContact CE-CD2 4.29Å; M438-F440 HydrophobicContact CE-CE2 4.31Å; M438-F440 HydrophobicContact CG-CD1 4.44Å; M438-F440 HydrophobicContact CG-CE1 4.26Å; M438-F440 HydrophobicContact SD-CB 4.35Å; M438-F440 HydrophobicContact SD-CD1 3.28Å; M438-F440 WeakPolarHBondContact SD-CD1 3.32Å; M438-F440 HydrophobicContact SD-CD2 3.65Å; M438-F440 HydrophobicContact SD-CE1 3.31Å; M438-F440 WeakPolarHBondContact SD-CE1 3.28Å; M438-F440 HydrophobicContact SD-CE2 3.7Å; M438-F440 HydrophobicContact SD-CG 3.45Å; M438-F440 WeakPolarHBondContact SD-CG 3.49Å; M438-F440 HydrophobicContact SD-CZ 3.53Å; M438-F440 VanDerWaalsContact SD-CZ 3.53Å; F440-V444 HydrophobicContact CB-CB 4.48Å; F440-V444 HydrophobicContact CB-CG1 4.47Å; F440-V444 WeakPolarHBondContact CB-O 3.33Å; F440-V444 HydrophobicContact CD1-CG1 3.87Å; F440-V444 HydrophobicContact CE1-CG1 4.38Å; F440-V444 HydrophobicContact CG-CG1 4.33Å; F440-N445 HydrophobicContact CD2-CB 4.47Å; F440-N445 WeakPolarHBondContact CD2-OD1 3.39Å; F440-T446 HydrophobicContact CE2-CG2 3.72Å; F440-T446 HydrophobicContact CZ-CG2 3.68Å
441	N	84.7	Confident	92.5	Very high	42 Å²	42	45.7 Å²	45.7	23%	0.225	24%	0.236	C	C	.	.			trans	-105.6	177.4	-178.4	71.2	42	0	0	0	112	W403 R443 V444	W403-N441 HydrophobicContact CE3-CB 3.9Å; W403-N441 HydrophobicContact CZ3-CB 3.88Å; N441-R443 PolarHBondContact O-N 2.84Å; N441-R443 WeakPolarHBondContact OD1-CA 3.08Å; N441-R443 PolarHBondContact OD1-N 2.04Å; N441-V444 PolarHBondContact O-N 3.28Å; N441-V444 WeakPolarHBondContact OD1-CG2 3.43Å; N441-V444 PolarHBondContact OD1-N 3.49Å; N441-V444 VanDerWaalsContact OD1-N 3.12Å
442	N	87.1	Confident	91.5	Very high	84 Å²	84	47.1 Å²	47.1	45%	0.449	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-8.7	-176.8	-64.4	-10.8	0	0	0	115.4	T328	T328-N442 HydrophobicContact CG2-CB 4.38Å
443	R	91.4	Very high	90.2	Very high	64 Å²	64	53 Å²	53	24%	0.242	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	0.1	178.6	-56.8	-160.6	-178.1	171.5	0.1	113.9	P349 W403 N441	P349-R443 WeakPolarHBondContact CA-O 3.04Å; W403-R443 HydrophobicContact CB-CB 4.32Å; W403-R443 HydrophobicContact CB-CG 4.14Å; W403-R443 HydrophobicContact CD2-CG 4.35Å; W403-R443 HydrophobicContact CG-CG 4.1Å; N441-R443 PolarHBondContact O-N 2.84Å; N441-R443 WeakPolarHBondContact OD1-CA 3.08Å; N441-R443 PolarHBondContact OD1-N 2.04Å
444	V	94.8	Very high	88.8	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.284	C	S	.	.			trans	-130.3	128.3	-175.9	-179.1	0	0	0	0	107.8	P349 I366 I391 I405 I436 F440 N441	P349-V444 CarbonylContact O-C 3.58Å; P349-V444 VanDerWaalsContact O-CA 3.31Å; P349-V444 WeakPolarHBondContact O-CA 3.06Å; I366-V444 HydrophobicContact CD1-CG1 4.28Å; I391-V444 HydrophobicContact CG2-CB 4.28Å; I391-V444 HydrophobicContact CG2-CG1 3.64Å; I391-V444 HydrophobicContact CG2-CG2 3.6Å; I405-V444 HydrophobicContact CD1-CG2 4.47Å; I436-V444 HydrophobicContact CG2-CG1 3.8Å; F440-V444 HydrophobicContact CB-CB 4.48Å; F440-V444 HydrophobicContact CB-CG1 4.47Å; F440-V444 WeakPolarHBondContact CB-O 3.33Å; F440-V444 HydrophobicContact CD1-CG1 3.87Å; F440-V444 HydrophobicContact CE1-CG1 4.38Å; F440-V444 HydrophobicContact CG-CG1 4.33Å; N441-V444 PolarHBondContact O-N 3.28Å; N441-V444 WeakPolarHBondContact OD1-CG2 3.43Å; N441-V444 PolarHBondContact OD1-N 3.49Å; N441-V444 VanDerWaalsContact OD1-N 3.12Å
445	N	96.2	Very high	87	Confident	14 Å²	14	52.9 Å²	52.9	8%	0.075	28%	0.283	C	S	.	.			trans	-163.7	166.5	171.6	-161.5	6.2	0	0	0	108.2	T323 E326 P349 W350 F440	T323-N445 PolarHBondContact O-ND2 3.11Å; T323-N445 PolarHBondContact O-OD1 3.33Å; E326-N445 PolarHBondContact O-ND2 2.85Å; P349-N445 CarbonylContact C-O 3.54Å; P349-N445 HydrophobicContact CB-CB 3.83Å; P349-N445 HydrophobicContact CG-CB 3.73Å; P349-N445 PolarHBondContact O-N 3.43Å; W350-N445 WeakPolarHBondContact CA-O 3.41Å; W350-N445 WeakPolarHBondContact CB-O 3.49Å; W350-N445 PolarHBondContact N-O 2.95Å; F440-N445 HydrophobicContact CD2-CB 4.47Å; F440-N445 WeakPolarHBondContact CD2-OD1 3.39Å
446	T	97.5	Very high	85	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-92.6	146.4	174.7	53.9	0	0	0	0	111	S320 C324 G325 I366 F440	S320-T446 WeakPolarHBondContact CB-OG1 3.45Å; S320-T446 PolarHBondContact OG-OG1 3.39Å; C324-T446 CarbonylContact C-O 3.55Å; C324-T446 WeakPolarHBondContact CA-O 3.38Å; G325-T446 PolarHBondContact N-O 3.31Å; I366-T446 HydrophobicContact CG2-CG2 3.86Å; I366-T446 WeakPolarHBondContact O-CA 3.49Å; F440-T446 HydrophobicContact CE2-CG2 3.72Å; F440-T446 HydrophobicContact CZ-CG2 3.68Å
447	V	96.9	Very high	83	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.012	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-78.3	149.1	166.2	71.8	0	0	0	0	110.3	W350 T365 I366 I367 V543 W553 I555	W350-V447 HydrophobicContact CB-CB 3.99Å; W350-V447 HydrophobicContact CD2-CB 3.97Å; W350-V447 HydrophobicContact CD2-CG2 4.28Å; W350-V447 HydrophobicContact CE3-CB 4.39Å; W350-V447 HydrophobicContact CG-CB 3.8Å; W350-V447 HydrophobicContact CG-CG2 4.45Å; T365-V447 HydrophobicContact CG2-CB 4.26Å; T365-V447 HydrophobicContact CG2-CG1 3.58Å; I366-V447 PolarHBondContact O-N 2.73Å; I367-V447 HydrophobicContact CG2-CG1 3.98Å; V447-V543 HydrophobicContact CG2-CG1 3.66Å; V447-W553 VanDerWaalsContact CG2-O 3.31Å; V447-W553 WeakPolarHBondContact CG2-O 3.43Å; V447-I555 HydrophobicContact CG1-CB 3.85Å; V447-I555 HydrophobicContact CG1-CG2 3.68Å; V447-I555 HydrophobicContact CG2-CB 3.98Å; V447-I555 HydrophobicContact CG2-CG2 4.45Å
448	C	95.6	Very high	81.2	Confident	11 Å²	11	57.6 Å²	57.6	7%	0.074	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-71.9	142.6	172.7	-62.3	0	0	0	0	111.2	C324 W553 T554 I555	C324-C448 HydrophobicContact CB-CB 4.04Å; C324-C448 WeakPolarHBondContact CB-SG 3.47Å; C324-C448 PolarHBondContact O-SG 3.36Å; C324-C448 WeakPolarHBondContact SG-CA 3.29Å; C324-C448 WeakPolarHBondContact SG-CB 3.45Å; C324-C448 CovalentContact SG-SG 2.05Å; C324-C448 PolarHBondContact SG-SG 3.18Å; C448-W553 WeakPolarHBondContact CB-O 3.49Å; C448-W553 PolarHBondContact N-O 3.23Å; C448-T554 WeakPolarHBondContact O-CA 3.34Å; C448-I555 WeakPolarHBondContact O-CG2 3.15Å; C448-I555 PolarHBondContact O-N 2.82Å
449	L	95.1	Very high	79.4	Confident	29 Å²	29	59 Å²	59	15%	0.152	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-83.2	146	167.2	-67.6	179.3	0	0	0	109.9	I317 I367 I555 V576 L580 I583	I317-L449 HydrophobicContact CD1-CD1 3.73Å; I317-L449 HydrophobicContact CD1-CG 4.43Å; I367-L449 HydrophobicContact CB-CD2 4.31Å; I367-L449 HydrophobicContact CG2-CD2 4.07Å; L449-I555 HydrophobicContact CD2-CG2 3.94Å; L449-V576 HydrophobicContact CD2-CG1 4.5Å; L449-L580 HydrophobicContact CB-CD2 4.09Å; L449-L580 HydrophobicContact CD1-CD2 4.44Å; L449-I583 HydrophobicContact CD1-CG2 3.88Å
450	P	90.9	Very high	77.9	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.026	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-59.5	146.3	177.5	-23.9	31.4	0	0	0	112.7	T554 I555 Y556 R577 L580	P450-T554 HydrophobicContact CB-CG2 4.08Å; P450-T554 HydrophobicContact CG-CG2 3.78Å; P450-I555 WeakPolarHBondContact CD-O 3.31Å; P450-I555 WeakPolarHBondContact CG-O 3.45Å; P450-Y556 HydrophobicContact CB-CD1 4.36Å; P450-Y556 HydrophobicContact CB-CE1 3.83Å; P450-Y556 HydrophobicContact CG-CD1 3.91Å; P450-Y556 HydrophobicContact CG-CE1 3.85Å; P450-R577 HydrophobicContact CB-CB 4.07Å; P450-R577 HydrophobicContact CB-CG 4.23Å; P450-R577 HydrophobicContact CG-CB 4.26Å; P450-L580 WeakPolarHBondContact O-CD1 3.2Å
451	E	83.7	Confident	76.6	Confident	125 Å²	125	58.1 Å²	58.1	58%	0.584	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-67	137.1	169.6	-69.8	-167.2	177	0	0	111.3	N453 F454 R577	E451-N453 PolarHBondContact O-N 2.85Å; E451-F454 HydrophobicContact CB-CB 3.92Å; E451-R577 PolarHBondContact O-NE 2.97Å
452	P	73.5	Confident	75.7	Confident	42 Å²	42	58.8 Å²	58.8	27%	0.273	29%	0.292	S	S	.	.	S	Bend	trans	-58.1	-35.2	178.2	-25	33	0	0	0	113.4	V297 R577 L580	V297-P452 HydrophobicContact CG1-CG 4.33Å; P452-R577 PolarHBondContact O-NE 3.39Å; P452-R577 PolarHBondContact O-NH2 2.98Å; P452-L580 HydrophobicContact CB-CD1 4.45Å; P452-L580 HydrophobicContact CG-CD1 4.14Å
453	N	68	Low	75.2	Confident	122 Å²	122	57.6 Å²	57.6	65%	0.652	29%	0.286	S	S	*	.	S	Bend	trans	-110.8	-7.8	-166.3	-66	-19.3	0	0	0	115.5	E451	E451-N453 PolarHBondContact O-N 2.85Å
454	F	62.8	Low	75.1	Confident	94 Å²	94	54.6 Å²	54.6	41%	0.412	27%	0.274	S	S	.	.			trans	-69.2	129.5	-177.2	-163.7	-96.5	0	0	0	111.6	E451 R577	E451-F454 HydrophobicContact CB-CB 3.92Å; F454-R577 PolarHBondContact O-NH1 2.71Å; F454-R577 PolarHBondContact O-NH2 2.98Å
455	P	56.5	Low	74.8	Confident	89 Å²	89	54.6 Å²	54.6	58%	0.578	28%	0.275	S	S	*	.			trans	-64	140.1	178.5	23.2	-30	0	0	0	111.7	R457	P455-R457 PolarHBondContact O-N 2.95Å; P455-R457 VanDerWaalsContact O-N 3.16Å
456	Y	55	Low	74.6	Confident	52 Å²	52	54.1 Å²	54.1	20%	0.204	27%	0.272	C	S	.	.			trans	-66.6	111.4	170.4	-118.2	-100.2	0	0	0	107.6	T458 W461 I483 Y556 R575	Y456-T458 VanDerWaalsContact C-N 3.32Å; Y456-T458 HydrophobicContact CD1-CG2 3.38Å; Y456-T458 HydrophobicContact CE1-CG2 4.01Å; Y456-T458 HydrophobicContact CG-CG2 4.31Å; Y456-T458 PolarHBondContact O-N 2.87Å; Y456-W461 HydrophobicContact CD1-CD2 4.42Å; Y456-W461 AromaticContact CD1-CE3 3.83Å; Y456-W461 HydrophobicContact CD1-CE3 3.83Å; Y456-W461 AromaticContact CD1-CH2 3.38Å; Y456-W461 HydrophobicContact CD1-CH2 3.38Å; Y456-W461 AromaticContact CD1-CZ2 3.99Å; Y456-W461 HydrophobicContact CD1-CZ2 3.99Å; Y456-W461 AromaticContact CD1-CZ3 3.39Å; Y456-W461 HydrophobicContact CD1-CZ3 3.39Å; Y456-W461 AromaticContact CD2-CH2 3.84Å; Y456-W461 HydrophobicContact CD2-CH2 3.84Å; Y456-W461 HydrophobicContact CD2-CZ3 4.42Å; Y456-W461 HydrophobicContact CE1-CD2 4.43Å; Y456-W461 AromaticContact CE1-CE3 3.44Å; Y456-W461 HydrophobicContact CE1-CE3 3.44Å; Y456-W461 VanDerWaalsContact CE1-CE3 3.44Å; Y456-W461 AromaticContact CE1-CH2 3.23Å; Y456-W461 HydrophobicContact CE1-CH2 3.23Å; Y456-W461 HydrophobicContact CE1-CZ2 4.23Å; Y456-W461 AromaticContact CE1-CZ3 2.82Å; Y456-W461 HydrophobicContact CE1-CZ3 2.82Å; Y456-W461 AromaticContact CE2-CH2 3.56Å; Y456-W461 HydrophobicContact CE2-CH2 3.56Å; Y456-W461 AromaticContact CE2-CZ3 3.89Å; Y456-W461 HydrophobicContact CE2-CZ3 3.89Å; Y456-W461 AromaticContact CG-CH2 3.76Å; Y456-W461 HydrophobicContact CG-CH2 3.76Å; Y456-W461 HydrophobicContact CG-CZ2 4.25Å; Y456-W461 HydrophobicContact CG-CZ3 4.21Å; Y456-W461 AromaticContact CZ-CH2 3.26Å; Y456-W461 AromaticContact CZ-CZ3 3.06Å; Y456-W461 VanDerWaalsContact OH-CZ3 3.29Å; Y456-W461 WeakPolarHBondContact OH-CZ3 3.42Å; Y456-I483 HydrophobicContact CE1-CG2 4.08Å; Y456-Y556 HydrophobicContact CE2-CD1 4.27Å; Y456-Y556 HydrophobicContact CE2-CE1 4.34Å; Y456-R575 PolarHBondContact OH-NH1 3.32Å
457	R	54.6	Low	74.2	Confident	159 Å²	159	54.1 Å²	54.1	60%	0.6	27%	0.272	S	S	*	.			trans	-87.5	78.5	160.6	-80	-174.6	167	-177.9	-3.7	107.7	P455 D459 H460 W461	P455-R457 PolarHBondContact O-N 2.95Å; P455-R457 VanDerWaalsContact O-N 3.16Å; R457-D459 WeakPolarHBondContact CA-OD1 3.25Å; R457-D459 WeakPolarHBondContact CB-OD1 3.31Å; R457-D459 PolarHBondContact O-N 3.42Å; R457-H460 PolarHBondContact O-N 3.04Å; R457-W461 VanDerWaalsContact O-CD1 3.24Å; R457-W461 PolarHBondContact O-NE1 3.08Å
458	T	54.1	Low	73.9	Confident	37 Å²	37	54.8 Å²	54.8	23%	0.227	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.8	-29.5	179.3	36.8	0	0	0	0	112.3	Y456 H460 W461 E485	Y456-T458 VanDerWaalsContact C-N 3.32Å; Y456-T458 HydrophobicContact CD1-CG2 3.38Å; Y456-T458 HydrophobicContact CE1-CG2 4.01Å; Y456-T458 HydrophobicContact CG-CG2 4.31Å; Y456-T458 PolarHBondContact O-N 2.87Å; T458-H460 PolarHBondContact O-N 2.88Å; T458-H460 VanDerWaalsContact O-N 3.14Å; T458-W461 PolarHBondContact O-N 3.24Å; T458-E485 HydrophobicContact CG2-CG 4.1Å; T458-E485 PolarHBondContact OG1-OE1 2.67Å
459	D	51.7	Low	73.4	Confident	112 Å²	112	54.3 Å²	54.3	60%	0.599	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-59.5	-20.6	179.9	52.3	-23.9	0	0	0	113.8	R457	R457-D459 WeakPolarHBondContact CA-OD1 3.25Å; R457-D459 WeakPolarHBondContact CB-OD1 3.31Å; R457-D459 PolarHBondContact O-N 3.42Å
460	H	55	Low	72.5	Confident	123 Å²	123	53.2 Å²	53.2	57%	0.569	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-109.5	-1.7	-176.2	-72.9	-79.3	0	0	0	115.4	R457 T458 T462	R457-H460 PolarHBondContact O-N 3.04Å; T458-H460 PolarHBondContact O-N 2.88Å; T458-H460 VanDerWaalsContact O-N 3.14Å; H460-T462 VanDerWaalsContact C-N 3.28Å; H460-T462 PolarHBondContact O-N 2.98Å
461	W	64.5	Low	71.6	Confident	13 Å²	13	58.9 Å²	58.9	5%	0.049	29%	0.29	C	S	.	.			trans	-89.6	52.7	-170.1	-69	0	0	0	0	114.4	Y456 R457 T458 S482 I483 Y556	Y456-W461 HydrophobicContact CD1-CD2 4.42Å; Y456-W461 AromaticContact CD1-CE3 3.83Å; Y456-W461 HydrophobicContact CD1-CE3 3.83Å; Y456-W461 AromaticContact CD1-CH2 3.38Å; Y456-W461 HydrophobicContact CD1-CH2 3.38Å; Y456-W461 AromaticContact CD1-CZ2 3.99Å; Y456-W461 HydrophobicContact CD1-CZ2 3.99Å; Y456-W461 AromaticContact CD1-CZ3 3.39Å; Y456-W461 HydrophobicContact CD1-CZ3 3.39Å; Y456-W461 AromaticContact CD2-CH2 3.84Å; Y456-W461 HydrophobicContact CD2-CH2 3.84Å; Y456-W461 HydrophobicContact CD2-CZ3 4.42Å; Y456-W461 HydrophobicContact CE1-CD2 4.43Å; Y456-W461 AromaticContact CE1-CE3 3.44Å; Y456-W461 HydrophobicContact CE1-CE3 3.44Å; Y456-W461 VanDerWaalsContact CE1-CE3 3.44Å; Y456-W461 AromaticContact CE1-CH2 3.23Å; Y456-W461 HydrophobicContact CE1-CH2 3.23Å; Y456-W461 HydrophobicContact CE1-CZ2 4.23Å; Y456-W461 AromaticContact CE1-CZ3 2.82Å; Y456-W461 HydrophobicContact CE1-CZ3 2.82Å; Y456-W461 AromaticContact CE2-CH2 3.56Å; Y456-W461 HydrophobicContact CE2-CH2 3.56Å; Y456-W461 AromaticContact CE2-CZ3 3.89Å; Y456-W461 HydrophobicContact CE2-CZ3 3.89Å; Y456-W461 AromaticContact CG-CH2 3.76Å; Y456-W461 HydrophobicContact CG-CH2 3.76Å; Y456-W461 HydrophobicContact CG-CZ2 4.25Å; Y456-W461 HydrophobicContact CG-CZ3 4.21Å; Y456-W461 AromaticContact CZ-CH2 3.26Å; Y456-W461 AromaticContact CZ-CZ3 3.06Å; Y456-W461 VanDerWaalsContact OH-CZ3 3.29Å; Y456-W461 WeakPolarHBondContact OH-CZ3 3.42Å; R457-W461 VanDerWaalsContact O-CD1 3.24Å; R457-W461 PolarHBondContact O-NE1 3.08Å; T458-W461 PolarHBondContact O-N 3.24Å; W461-S482 WeakPolarHBondContact O-CA 3.01Å; W461-I483 HydrophobicContact CB-CB 4.48Å; W461-I483 HydrophobicContact CD2-CD1 4.48Å; W461-I483 HydrophobicContact CE3-CB 3.87Å; W461-I483 HydrophobicContact CE3-CD1 3.34Å; W461-I483 HydrophobicContact CE3-CG1 4.08Å; W461-I483 HydrophobicContact CE3-CG2 4.05Å; W461-I483 HydrophobicContact CZ3-CD1 3.48Å; W461-I483 VanDerWaalsContact CZ3-CD1 3.48Å; W461-I483 HydrophobicContact CZ3-CG2 4.42Å; W461-I483 PolarHBondContact O-N 2.91Å; W461-Y556 AromaticContact CH2-CD1 3.58Å; W461-Y556 HydrophobicContact CH2-CD1 3.58Å; W461-Y556 HydrophobicContact CH2-CD2 4.02Å; W461-Y556 AromaticContact CH2-CE1 3.29Å; W461-Y556 HydrophobicContact CH2-CE1 3.29Å; W461-Y556 AromaticContact CH2-CE2 3.74Å; W461-Y556 HydrophobicContact CH2-CE2 3.74Å; W461-Y556 AromaticContact CH2-CG 3.92Å; W461-Y556 HydrophobicContact CH2-CG 3.92Å; W461-Y556 AromaticContact CH2-CZ 3.34Å; W461-Y556 AromaticContact CZ2-CE1 3.99Å; W461-Y556 HydrophobicContact CZ2-CE1 3.99Å; W461-Y556 AromaticContact CZ2-CE2 3.96Å; W461-Y556 HydrophobicContact CZ2-CE2 3.96Å; W461-Y556 AromaticContact CZ2-CZ 3.6Å; W461-Y556 AromaticContact CZ3-CD1 3.89Å; W461-Y556 HydrophobicContact CZ3-CD1 3.89Å; W461-Y556 HydrophobicContact CZ3-CD2 4.08Å; W461-Y556 HydrophobicContact CZ3-CE1 4.08Å; W461-Y556 HydrophobicContact CZ3-CE2 4.23Å; W461-Y556 AromaticContact CZ3-CG 3.88Å; W461-Y556 HydrophobicContact CZ3-CG 3.88Å
462	T	64.3	Low	70.9	Confident	57 Å²	57	61.4 Å²	61.4	35%	0.35	29%	0.294	S	S	.	.			trans	-83.2	-14.4	176.4	54.9	0	0	0	0	113.6	H460 Q480 W509	H460-T462 VanDerWaalsContact C-N 3.28Å; H460-T462 PolarHBondContact O-N 2.98Å; T462-Q480 PolarHBondContact O-NE2 3.27Å; T462-W509 HydrophobicContact CG2-CZ2 3.87Å; T462-W509 PolarHBondContact O-NE1 3.16Å; T462-W509 VanDerWaalsContact O-NE1 3.07Å
463	N	76.6	Confident	70.9	Confident	59 Å²	59	62.3 Å²	62.3	32%	0.316	29%	0.294	S	S	.	.			trans	-110.3	24.8	-167.7	-61.5	-14.7	0	0	0	113.4	E548	N463-E548 PolarHBondContact ND2-OE1 3.24Å
464	C	89.1	Confident	71.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	149.6	176.9	-54.9	0	0	0	0	111.2	Q480 A481 L542 V543 C544	C464-Q480 CarbonylContact O-C 3.56Å; C464-Q480 WeakPolarHBondContact O-CA 3.21Å; C464-A481 VanDerWaalsContact CB-O 3.25Å; C464-A481 WeakPolarHBondContact CB-O 3.26Å; C464-A481 PolarHBondContact N-O 3.39Å; C464-A481 PolarHBondContact O-N 3.01Å; C464-L542 HydrophobicContact CB-CD1 3.93Å; C464-L542 HydrophobicContact CB-CG 4.24Å; C464-V543 CarbonylContact C-O 3.47Å; C464-V543 WeakPolarHBondContact CA-O 3.26Å; C464-V543 VanDerWaalsContact CB-O 3.27Å; C464-V543 WeakPolarHBondContact CB-O 3.38Å; C464-C544 HydrophobicContact CB-CB 4.05Å; C464-C544 WeakPolarHBondContact CB-SG 3.39Å; C464-C544 WeakPolarHBondContact SG-CB 3.43Å; C464-C544 CovalentContact SG-SG 2.03Å; C464-C544 PolarHBondContact SG-SG 3.18Å
465	I	90.2	Very high	72.5	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139	-178.6	-53.9	-64.9	0	0	0	110	F335 W348 T467 Q478 F479 Q480 V543 W553	F335-I465 HydrophobicContact CE1-CD1 4.29Å; F335-I465 HydrophobicContact CZ-CD1 3.62Å; W348-I465 HydrophobicContact CH2-CB 3.63Å; W348-I465 HydrophobicContact CH2-CG1 3.61Å; W348-I465 HydrophobicContact CH2-CG2 3.68Å; W348-I465 HydrophobicContact CZ2-CB 3.96Å; W348-I465 HydrophobicContact CZ2-CG1 3.96Å; W348-I465 HydrophobicContact CZ2-CG2 3.47Å; W348-I465 VanDerWaalsContact CZ2-CG2 3.47Å; W348-I465 HydrophobicContact CZ3-CB 4.22Å; W348-I465 HydrophobicContact CZ3-CG2 4.33Å; I465-T467 HydrophobicContact CG2-CG2 4.13Å; I465-Q478 HydrophobicContact CG2-CB 4.17Å; I465-F479 CarbonylContact C-O 3.58Å; I465-F479 VanDerWaalsContact CA-O 3.31Å; I465-F479 WeakPolarHBondContact CA-O 3.41Å; I465-Q480 HydrophobicContact CD1-CB 4.17Å; I465-Q480 HydrophobicContact CD1-CG 4.26Å; I465-V543 HydrophobicContact CB-CG2 4.2Å; I465-V543 PolarHBondContact N-O 3.05Å; I465-V543 VanDerWaalsContact O-CG2 3.26Å; I465-V543 WeakPolarHBondContact O-CG2 3.45Å; I465-V543 PolarHBondContact O-N 3.48Å; I465-W553 HydrophobicContact CB-CH2 4.46Å; I465-W553 HydrophobicContact CB-CZ3 4.17Å; I465-W553 HydrophobicContact CG1-CH2 3.6Å; I465-W553 HydrophobicContact CG1-CZ3 3.73Å
466	T	90.4	Very high	74	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146	163.6	-175.8	0	0	0	0	110.7	Q478 F479 F508 P541 V559	T466-Q478 CarbonylContact O-C 3.53Å; T466-Q478 WeakPolarHBondContact O-CA 3.35Å; T466-F479 HydrophobicContact CG2-CB 3.9Å; T466-F479 HydrophobicContact CG2-CD2 4.39Å; T466-F479 PolarHBondContact N-O 3.16Å; T466-F479 PolarHBondContact O-N 3.29Å; T466-F508 HydrophobicContact CG2-CE1 3.54Å; T466-F508 HydrophobicContact CG2-CZ 4.13Å; T466-P541 VanDerWaalsContact CA-O 3.28Å; T466-P541 WeakPolarHBondContact CA-O 3.42Å; T466-P541 WeakPolarHBondContact CB-O 3.44Å; T466-P541 PolarHBondContact OG1-O 2.96Å; T466-V559 VanDerWaalsContact OG1-CG2 3.31Å; T466-V559 WeakPolarHBondContact OG1-CG2 3.41Å
467	T	90.4	Very high	75.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.1	-174.7	41.9	0	0	0	0	110.6	W348 M351 I465 T477 Q478	W348-T467 HydrophobicContact CB-CG2 4.23Å; W348-T467 HydrophobicContact CD2-CG2 3.79Å; W348-T467 HydrophobicContact CG-CG2 3.54Å; M351-T467 VanDerWaalsContact CE-O 3.24Å; M351-T467 WeakPolarHBondContact CE-O 3.4Å; M351-T467 PolarHBondContact SD-OG1 2.84Å; I465-T467 HydrophobicContact CG2-CG2 4.13Å; T467-T477 VanDerWaalsContact CA-O 3.3Å; T467-T477 WeakPolarHBondContact CA-O 3.33Å; T467-Q478 HydrophobicContact CG2-CB 3.66Å
468	T	89.1	Confident	76.9	Confident	16 Å²	16	42 Å²	42	10%	0.098	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	175.6	-177.8	-176.8	0	0	0	0	110.6	M476 T477 F479 R537	T468-M476 WeakPolarHBondContact O-CA 3.43Å; T468-T477 PolarHBondContact N-O 3.21Å; T468-T477 VanDerWaalsContact N-O 3.11Å; T468-T477 PolarHBondContact O-N 2.88Å; T468-T477 PolarHBondContact O-OG1 3.16Å; T468-F479 HydrophobicContact CG2-CE2 4.12Å; T468-R537 PolarHBondContact OG1-N 3.3Å; T468-R537 PolarHBondContact OG1-O 3.39Å
469	W	86.3	Confident	78.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.8	168.8	-65	-99.9	0	0	0	109.2	M351 M353 A363 F393 N394 M476 G536 R537	M351-W469 HydrophobicContact CB-CH2 4Å; M351-W469 HydrophobicContact CE-CH2 4.2Å; M351-W469 HydrophobicContact CE-CZ3 3.78Å; M353-W469 HydrophobicContact CB-CH2 4.46Å; M353-W469 HydrophobicContact CE-CB 3.85Å; M353-W469 HydrophobicContact CE-CD2 3.18Å; M353-W469 HydrophobicContact CE-CE3 3.23Å; M353-W469 HydrophobicContact CE-CG 3.46Å; M353-W469 VanDerWaalsContact CE-CG 3.46Å; M353-W469 HydrophobicContact CE-CH2 4.38Å; M353-W469 HydrophobicContact CE-CZ2 4.37Å; M353-W469 HydrophobicContact CE-CZ3 3.85Å; A363-W469 HydrophobicContact CB-CE3 4.17Å; A363-W469 HydrophobicContact CB-CZ3 4.05Å; F393-W469 AromaticContact CD1-CZ2 3.93Å; F393-W469 HydrophobicContact CD1-CZ2 3.93Å; F393-W469 WeakPolarHBondContact O-CZ2 3.1Å; N394-W469 PolarHBondContact O-NE1 3.31Å; W469-M476 HydrophobicContact CD2-CB 4.32Å; W469-M476 HydrophobicContact CD2-CG 4.36Å; W469-M476 HydrophobicContact CH2-SD 3.83Å; W469-M476 HydrophobicContact CZ2-CB 4.1Å; W469-M476 HydrophobicContact CZ2-CG 4.18Å; W469-M476 HydrophobicContact CZ2-SD 3.72Å; W469-M476 HydrophobicContact CZ3-SD 4.39Å; W469-G536 CarbonylContact O-C 3.52Å; W469-G536 WeakPolarHBondContact O-CA 3.31Å; W469-R537 WeakPolarHBondContact O-CB 3.11Å; W469-R537 WeakPolarHBondContact O-CG 3.47Å; W469-R537 PolarHBondContact O-N 3.29Å
470	G	76.7	Confident	79.8	Confident	6 Å²	6	36.8 Å²	36.8	6%	0.062	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-73.8	152.7	171.2	0	0	0	0	0	111.8	R472 H473	G470-R472 PolarHBondContact O-N 3.23Å; G470-H473 PolarHBondContact O-N 3.03Å; G470-H473 VanDerWaalsContact O-O 3.05Å
471	W	71.1	Confident	81.2	Confident	124 Å²	124	30.9 Å²	30.9	47%	0.47	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.2	175.1	-72.2	100.4	0	0	0	113.7	Y362 Q535 R537	Y362-W471 HydrophobicContact CE1-CH2 4.47Å; Y362-W471 HydrophobicContact CE1-CZ2 4.4Å; W471-Q535 PolarHBondContact N-O 1.98Å; W471-R537 HydrophobicContact CD2-CG 4.5Å
472	R	69.7	Low	82.2	Confident	177 Å²	177	31.1 Å²	31.1	67%	0.668	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	8	179.2	-61.5	-175	-178.2	178	-0.1	113.4	G470 E529	G470-R472 PolarHBondContact O-N 3.23Å; R472-E529 IonicContact NH1-OE1 2.67Å; R472-E529 PolarHBondContact NH1-OE1 3.4Å
473	H	72.5	Confident	83.3	Confident	62 Å²	62	28.9 Å²	28.9	29%	0.287	13%	0.134	S	C	.	.			trans	-121.6	118.1	-177.2	-65.3	-61.8	0	0	0	110.1	G470 L475 Y533	G470-H473 PolarHBondContact O-N 3.03Å; G470-H473 VanDerWaalsContact O-O 3.05Å; H473-L475 VanDerWaalsContact C-N 3.34Å; H473-L475 PolarHBondContact O-N 3.1Å; H473-Y533 AromaticContact CD2-CE1 3.97Å; H473-Y533 AromaticContact CE1-CZ 3.64Å; H473-Y533 PolarHBondContact CE1-OH 3.07Å; H473-Y533 AromaticContact NE2-CE1 3.6Å; H473-Y533 AromaticContact NE2-CE2 3.62Å; H473-Y533 AromaticContact NE2-CZ 3.33Å; H473-Y533 VanDerWaalsContact NE2-CZ 3.33Å
474	P	78.6	Confident	83.7	Confident	36 Å²	36	27.1 Å²	27.1	23%	0.234	13%	0.125	C	C	.	.			trans	-74.6	-27.4	-172.9	30	-35.9	0	0	0	113	L396 Q397	L396-P474 HydrophobicContact CB-CB 3.97Å; L396-P474 PolarHBondContact N-O 2.98Å; Q397-P474 HydrophobicContact CG-CB 3.7Å; Q397-P474 HydrophobicContact CG-CG 4.12Å
475	L	85.3	Confident	83.4	Confident	39 Å²	39	30.4 Å²	30.4	20%	0.204	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-89.3	141.9	-178.2	-68.9	168	0	0	0	111.4	K342 D395 H473 T477	K342-L475 HydrophobicContact CD-CD1 3.62Å; K342-L475 HydrophobicContact CG-CB 4.38Å; K342-L475 HydrophobicContact CG-CD1 4.16Å; D395-L475 HydrophobicContact CB-CD2 3.62Å; D395-L475 VanDerWaalsContact CG-CD2 3.46Å; D395-L475 WeakPolarHBondContact OD2-CD2 3.49Å; H473-L475 VanDerWaalsContact C-N 3.34Å; H473-L475 PolarHBondContact O-N 3.1Å; L475-T477 PolarHBondContact O-N 3.31Å
476	M	88.5	Confident	83.1	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	135	169.9	-170.4	166.4	60.5	0	0	110.6	A343 W348 M351 N394 T468 W469	A343-M476 HydrophobicContact CB-CB 4.29Å; A343-M476 HydrophobicContact CB-CE 3.79Å; A343-M476 HydrophobicContact CB-CG 4.22Å; A343-M476 PolarHBondContact N-O 2.88Å; W348-M476 HydrophobicContact CB-CE 4.11Å; M351-M476 HydrophobicContact CB-SD 3.86Å; M351-M476 HydrophobicContact CE-SD 4.03Å; M351-M476 HydrophobicContact CG-CE 4.31Å; M351-M476 HydrophobicContact CG-SD 3.65Å; N394-M476 PolarHBondContact O-N 3.26Å; T468-M476 WeakPolarHBondContact O-CA 3.43Å; W469-M476 HydrophobicContact CD2-CB 4.32Å; W469-M476 HydrophobicContact CD2-CG 4.36Å; W469-M476 HydrophobicContact CH2-SD 3.83Å; W469-M476 HydrophobicContact CZ2-CB 4.1Å; W469-M476 HydrophobicContact CZ2-CG 4.18Å; W469-M476 HydrophobicContact CZ2-SD 3.72Å; W469-M476 HydrophobicContact CZ3-SD 4.39Å
477	T	85.5	Confident	82.6	Confident	10 Å²	10	38.8 Å²	38.8	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	153.1	177.2	53.4	0	0	0	0	110.5	N341 T467 T468 L475 F479	N341-T477 WeakPolarHBondContact O-CA 3.48Å; T467-T477 VanDerWaalsContact CA-O 3.3Å; T467-T477 WeakPolarHBondContact CA-O 3.33Å; T468-T477 PolarHBondContact N-O 3.21Å; T468-T477 VanDerWaalsContact N-O 3.11Å; T468-T477 PolarHBondContact O-N 2.88Å; T468-T477 PolarHBondContact O-OG1 3.16Å; L475-T477 PolarHBondContact O-N 3.31Å; T477-F479 VanDerWaalsContact OG1-CE2 3.25Å; T477-F479 WeakPolarHBondContact OG1-CE2 3.46Å
478	Q	85.8	Confident	82.2	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.1	178.3	70	-163.4	-29.2	0	0	110.4	N332 N341 I465 T466 T467	N332-Q478 PolarHBondContact O-NE2 2.68Å; N332-Q478 PolarHBondContact OD1-NE2 2.93Å; N341-Q478 HydrophobicContact CB-CG 4.14Å; N341-Q478 PolarHBondContact ND2-NE2 2.79Å; N341-Q478 PolarHBondContact O-N 3.08Å; N341-Q478 PolarHBondContact OD1-NE2 2.75Å; I465-Q478 HydrophobicContact CG2-CB 4.17Å; T466-Q478 CarbonylContact O-C 3.53Å; T466-Q478 WeakPolarHBondContact O-CA 3.35Å; T467-Q478 HydrophobicContact CG2-CB 3.66Å
479	F	82.6	Confident	81.9	Confident	11 Å²	11	41.6 Å²	41.6	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.4	-176.7	-57	-93.3	0	0	0	110.4	L338 G339 I465 T466 T468 T477 F508 W534	L338-F479 HydrophobicContact CD2-CD1 3.94Å; G339-F479 VanDerWaalsContact CA-CE1 3.45Å; G339-F479 VanDerWaalsContact N-CE1 3.32Å; I465-F479 CarbonylContact C-O 3.58Å; I465-F479 VanDerWaalsContact CA-O 3.31Å; I465-F479 WeakPolarHBondContact CA-O 3.41Å; T466-F479 HydrophobicContact CG2-CB 3.9Å; T466-F479 HydrophobicContact CG2-CD2 4.39Å; T466-F479 PolarHBondContact N-O 3.16Å; T466-F479 PolarHBondContact O-N 3.29Å; T468-F479 HydrophobicContact CG2-CE2 4.12Å; T477-F479 VanDerWaalsContact OG1-CE2 3.25Å; T477-F479 WeakPolarHBondContact OG1-CE2 3.46Å; F479-F508 HydrophobicContact CB-CD1 3.76Å; F479-F508 HydrophobicContact CB-CE1 3.52Å; F479-F508 HydrophobicContact CD1-CE1 4.49Å; F479-F508 HydrophobicContact CG-CD1 4.48Å; F479-F508 HydrophobicContact CG-CE1 4.04Å; F479-W534 AromaticContact CD1-CZ3 3.9Å; F479-W534 HydrophobicContact CD1-CZ3 3.9Å; F479-W534 HydrophobicContact CE1-CE3 4.36Å; F479-W534 AromaticContact CE1-CZ3 3.95Å; F479-W534 HydrophobicContact CE1-CZ3 3.95Å
480	Q	83.4	Confident	81.8	Confident	27 Å²	27	46.3 Å²	46.3	13%	0.126	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.4	171.2	-165.9	-177.9	-10.6	0	0	110.6	F335 T462 C464 I465 F508 W509	F335-Q480 HydrophobicContact CD1-CB 4.19Å; F335-Q480 HydrophobicContact CD2-CB 4.34Å; F335-Q480 HydrophobicContact CE1-CB 3.79Å; F335-Q480 HydrophobicContact CE2-CB 3.87Å; F335-Q480 HydrophobicContact CE2-CG 4.09Å; F335-Q480 HydrophobicContact CG-CB 4.47Å; F335-Q480 HydrophobicContact CZ-CB 3.63Å; F335-Q480 HydrophobicContact CZ-CG 4.18Å; T462-Q480 PolarHBondContact O-NE2 3.27Å; C464-Q480 CarbonylContact O-C 3.56Å; C464-Q480 WeakPolarHBondContact O-CA 3.21Å; I465-Q480 HydrophobicContact CD1-CB 4.17Å; I465-Q480 HydrophobicContact CD1-CG 4.26Å; Q480-F508 WeakPolarHBondContact O-CA 3.43Å; Q480-W509 HydrophobicContact CB-CB 4.19Å; Q480-W509 HydrophobicContact CB-CG 4.46Å; Q480-W509 HydrophobicContact CG-CB 4.34Å; Q480-W509 HydrophobicContact CG-CG 4.1Å; Q480-W509 PolarHBondContact O-N 3.14Å
481	A	85.1	Confident	82	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.1	174.2	0	0	0	0	0	111	C464 A506 K507 F508 L542 F571	C464-A481 VanDerWaalsContact CB-O 3.25Å; C464-A481 WeakPolarHBondContact CB-O 3.26Å; C464-A481 PolarHBondContact N-O 3.39Å; C464-A481 PolarHBondContact O-N 3.01Å; A481-A506 HydrophobicContact CB-CB 4.25Å; A481-K507 CarbonylContact C-O 3.47Å; A481-K507 WeakPolarHBondContact CA-O 3.32Å; A481-K507 WeakPolarHBondContact CB-O 3.37Å; A481-F508 HydrophobicContact CB-CD1 4.21Å; A481-L542 HydrophobicContact CB-CD1 3.97Å; A481-F571 HydrophobicContact CB-CE1 4.28Å; A481-F571 HydrophobicContact CB-CZ 4.19Å
482	S	85	Confident	82.4	Confident	18 Å²	18	46.7 Å²	46.7	13%	0.126	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134	166.5	-77.1	0	0	0	0	109.8	W461 A506 K507 W509	W461-S482 WeakPolarHBondContact O-CA 3.01Å; S482-A506 CarbonylContact O-C 3.54Å; S482-A506 WeakPolarHBondContact O-CA 3.37Å; S482-A506 WeakPolarHBondContact O-CB 3.46Å; S482-K507 PolarHBondContact N-O 3.26Å; S482-K507 PolarHBondContact O-N 3.29Å; S482-W509 VanDerWaalsContact OG-CE2 3.24Å; S482-W509 WeakPolarHBondContact OG-CZ2 2.97Å; S482-W509 PolarHBondContact OG-NE1 3.35Å
483	I	87.8	Confident	82.6	Confident	9 Å²	9	44.2 Å²	44.2	5%	0.046	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.5	169.1	-67.6	177.1	0	0	0	108.6	Y456 W461 M504 A506 L542 C544 Y556	Y456-I483 HydrophobicContact CE1-CG2 4.08Å; W461-I483 HydrophobicContact CB-CB 4.48Å; W461-I483 HydrophobicContact CD2-CD1 4.48Å; W461-I483 HydrophobicContact CE3-CB 3.87Å; W461-I483 HydrophobicContact CE3-CD1 3.34Å; W461-I483 HydrophobicContact CE3-CG1 4.08Å; W461-I483 HydrophobicContact CE3-CG2 4.05Å; W461-I483 HydrophobicContact CZ3-CD1 3.48Å; W461-I483 VanDerWaalsContact CZ3-CD1 3.48Å; W461-I483 HydrophobicContact CZ3-CG2 4.42Å; W461-I483 PolarHBondContact O-N 2.91Å; I483-M504 HydrophobicContact CD1-CE 3.6Å; I483-M504 HydrophobicContact CG1-CE 4.04Å; I483-A506 HydrophobicContact CG1-CB 4.42Å; I483-L542 HydrophobicContact CD1-CD2 3.76Å; I483-L542 HydrophobicContact CG1-CD2 3.57Å; I483-C544 WeakPolarHBondContact CD1-SG 3.5Å; I483-Y556 HydrophobicContact CD1-CG 4.47Å
484	L	85.2	Confident	82.6	Confident	23 Å²	23	45.8 Å²	45.8	12%	0.12	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	146.6	177.2	-59.2	-178.9	0	0	0	110.4	M488 I492 C505 K507 V570	L484-M488 HydrophobicContact CB-CB 4.39Å; L484-M488 HydrophobicContact CD2-CE 4.21Å; L484-I492 HydrophobicContact CD1-CD1 4.24Å; L484-C505 HydrophobicContact CB-CB 4.36Å; L484-C505 HydrophobicContact CD1-CB 4.41Å; L484-C505 PolarHBondContact N-O 3.48Å; L484-K507 HydrophobicContact CD1-CB 4.27Å; L484-K507 HydrophobicContact CD2-CB 4.2Å; L484-K507 HydrophobicContact CG-CB 4.32Å; L484-V570 HydrophobicContact CD1-CG1 3.75Å; L484-V570 HydrophobicContact CD1-CG2 4.18Å
485	E	83.1	Confident	82.5	Confident	69 Å²	69	45.3 Å²	45.3	32%	0.322	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-63.7	152	170.5	-57	-158.4	160.5	0	0	111	T458 W487 M488 C489	T458-E485 HydrophobicContact CG2-CG 4.1Å; T458-E485 PolarHBondContact OG1-OE1 2.67Å; E485-W487 PolarHBondContact O-N 3.47Å; E485-W487 VanDerWaalsContact OE2-CD1 3.29Å; E485-W487 PolarHBondContact OE2-NE1 3.24Å; E485-M488 HydrophobicContact CB-CG 4.22Å; E485-M488 HydrophobicContact CB-SD 4.31Å; E485-M488 HydrophobicContact CG-SD 4.4Å; E485-M488 WeakPolarHBondContact O-CB 3.34Å; E485-M488 PolarHBondContact O-N 3.39Å; E485-M488 VanDerWaalsContact O-N 3.08Å; E485-C489 PolarHBondContact O-N 3.39Å
486	Q	83.2	Confident	81.7	Confident	38 Å²	38	49.4 Å²	49.4	18%	0.178	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-40.9	-176.1	-168.8	74.2	23	0	0	112	C489 R490 I499 S500 V503	Q486-C489 PolarHBondContact O-N 3.02Å; Q486-R490 PolarHBondContact O-N 3.26Å; Q486-I499 PolarHBondContact NE2-O 3.48Å; Q486-I499 VanDerWaalsContact NE2-O 3.1Å; Q486-S500 PolarHBondContact NE2-O 3.16Å; Q486-V503 PolarHBondContact OE1-O 2.94Å; Q486-V503 VanDerWaalsContact OE1-O 3.08Å
487	W	80.1	Confident	80.6	Confident	145 Å²	145	55.6 Å²	55.6	55%	0.549	28%	0.276	S	S	.	.	H	α-helix	trans	-67.9	-38.3	179.8	71.5	-92.6	0	0	0	111.9	E485 C489 R490 L491	E485-W487 PolarHBondContact O-N 3.47Å; E485-W487 VanDerWaalsContact OE2-CD1 3.29Å; E485-W487 PolarHBondContact OE2-NE1 3.24Å; W487-C489 VanDerWaalsContact C-N 3.26Å; W487-C489 PolarHBondContact O-N 3.49Å; W487-R490 PolarHBondContact O-N 3.17Å; W487-L491 HydrophobicContact CE3-CD1 3.56Å; W487-L491 HydrophobicContact CE3-CG 4.43Å; W487-L491 HydrophobicContact CZ3-CD1 3.46Å; W487-L491 VanDerWaalsContact CZ3-CD1 3.46Å; W487-L491 WeakPolarHBondContact O-CG 3.24Å; W487-L491 PolarHBondContact O-N 2.85Å
488	M	82.4	Confident	80	Confident	75 Å²	75	61.4 Å²	61.4	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-37.7	175.5	-64.3	179.1	72.9	0	0	111	L484 E485 R490 L491	L484-M488 HydrophobicContact CB-CB 4.39Å; L484-M488 HydrophobicContact CD2-CE 4.21Å; E485-M488 HydrophobicContact CB-CG 4.22Å; E485-M488 HydrophobicContact CB-SD 4.31Å; E485-M488 HydrophobicContact CG-SD 4.4Å; E485-M488 WeakPolarHBondContact O-CB 3.34Å; E485-M488 PolarHBondContact O-N 3.39Å; E485-M488 VanDerWaalsContact O-N 3.08Å; M488-R490 VanDerWaalsContact C-N 3.32Å; M488-R490 PolarHBondContact O-N 3.23Å; M488-L491 PolarHBondContact O-N 3.12Å
489	C	82.9	Confident	79.8	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-36.6	178.1	-166.7	0	0	0	0	112.9	E485 Q486 W487 L491 I492 I499 C505	E485-C489 PolarHBondContact O-N 3.39Å; Q486-C489 PolarHBondContact O-N 3.02Å; W487-C489 VanDerWaalsContact C-N 3.26Å; W487-C489 PolarHBondContact O-N 3.49Å; C489-L491 PolarHBondContact O-N 2.98Å; C489-I492 WeakPolarHBondContact O-CB 3.4Å; C489-I492 PolarHBondContact O-N 3.05Å; C489-I499 HydrophobicContact CB-CD1 4Å; C489-I499 VanDerWaalsContact O-CD1 3.28Å; C489-I499 WeakPolarHBondContact O-CD1 3.24Å; C489-I499 WeakPolarHBondContact SG-CD1 3.48Å; C489-C505 HydrophobicContact CB-CB 3.53Å; C489-C505 WeakPolarHBondContact CB-SG 3.42Å; C489-C505 WeakPolarHBondContact SG-CB 3.42Å; C489-C505 CovalentContact SG-SG 1.98Å; C489-C505 PolarHBondContact SG-SG 2.84Å
490	R	83.8	Confident	79.9	Confident	98 Å²	98	63 Å²	63	37%	0.37	32%	0.318	S	S	.	.	H	α-helix	trans	-67.9	-14.6	176.8	-69.3	175	-179.9	175.2	-4.7	113.6	Q486 W487 M488 I492 I499	Q486-R490 PolarHBondContact O-N 3.26Å; W487-R490 PolarHBondContact O-N 3.17Å; M488-R490 VanDerWaalsContact C-N 3.32Å; M488-R490 PolarHBondContact O-N 3.23Å; R490-I492 VanDerWaalsContact C-N 3.33Å; R490-I499 HydrophobicContact CG-CB 3.93Å; R490-I499 HydrophobicContact CG-CD1 4.19Å; R490-I499 HydrophobicContact CG-CG1 4.07Å; R490-I499 PolarHBondContact NE-O 3.14Å; R490-I499 PolarHBondContact NH2-O 3.04Å
491	L	80.9	Confident	80.1	Confident	122 Å²	122	65.5 Å²	65.5	64%	0.639	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	1.1	177.9	-65.7	177.5	0	0	0	113.4	W487 M488 C489 P493	W487-L491 HydrophobicContact CE3-CD1 3.56Å; W487-L491 HydrophobicContact CE3-CG 4.43Å; W487-L491 HydrophobicContact CZ3-CD1 3.46Å; W487-L491 VanDerWaalsContact CZ3-CD1 3.46Å; W487-L491 WeakPolarHBondContact O-CG 3.24Å; W487-L491 PolarHBondContact O-N 2.85Å; M488-L491 PolarHBondContact O-N 3.12Å; C489-L491 PolarHBondContact O-N 2.98Å; L491-P493 WeakPolarHBondContact O-CD 3.22Å
492	I	78.8	Confident	80.4	Confident	17 Å²	17	66.5 Å²	66.5	9%	0.087	34%	0.34	C	S	.	.			trans	-84	115.5	-177.9	-64.9	173.8	0	0	0	108.6	L484 C489 R490 E494 Y495 T566 V570	L484-I492 HydrophobicContact CD1-CD1 4.24Å; C489-I492 WeakPolarHBondContact O-CB 3.4Å; C489-I492 PolarHBondContact O-N 3.05Å; R490-I492 VanDerWaalsContact C-N 3.33Å; I492-E494 HydrophobicContact CG2-CB 4.45Å; I492-E494 VanDerWaalsContact CG2-OE2 3.26Å; I492-E494 WeakPolarHBondContact CG2-OE2 3.26Å; I492-E494 PolarHBondContact O-N 3.26Å; I492-E494 VanDerWaalsContact O-N 3.14Å; I492-Y495 HydrophobicContact CB-CD2 3.58Å; I492-Y495 HydrophobicContact CB-CE2 4.09Å; I492-Y495 HydrophobicContact CB-CG 4.27Å; I492-Y495 HydrophobicContact CD1-CD2 3.88Å; I492-Y495 HydrophobicContact CD1-CE2 3.64Å; I492-Y495 HydrophobicContact CG1-CD2 4.3Å; I492-Y495 HydrophobicContact CG1-CE2 4.47Å; I492-Y495 HydrophobicContact CG2-CD2 3.56Å; I492-Y495 HydrophobicContact CG2-CE2 3.79Å; I492-Y495 HydrophobicContact CG2-CG 4.05Å; I492-Y495 PolarHBondContact O-N 3.03Å; I492-T566 HydrophobicContact CG2-CG2 3.82Å; I492-V570 HydrophobicContact CD1-CB 3.96Å; I492-V570 HydrophobicContact CD1-CG1 3.51Å; I492-V570 HydrophobicContact CD1-CG2 3.96Å
493	P	74.1	Confident	80.6	Confident	124 Å²	124	66 Å²	66	81%	0.805	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.7	-172.1	-24.3	34.4	0	0	0	115.1	L491 Y495	L491-P493 WeakPolarHBondContact O-CD 3.22Å; P493-Y495 PolarHBondContact O-N 3.21Å
494	E	73.4	Confident	80.6	Confident	96 Å²	96	65.6 Å²	65.6	45%	0.449	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.1	177.2	-59	97.9	141.2	0	0	113.6	I492 T566	I492-E494 HydrophobicContact CG2-CB 4.45Å; I492-E494 VanDerWaalsContact CG2-OE2 3.26Å; I492-E494 WeakPolarHBondContact CG2-OE2 3.26Å; I492-E494 PolarHBondContact O-N 3.26Å; I492-E494 VanDerWaalsContact O-N 3.14Å; E494-T566 HydrophobicContact CB-CG2 3.96Å; E494-T566 HydrophobicContact CG-CG2 4.4Å
495	Y	74.8	Confident	80.8	Confident	26 Å²	26	64.5 Å²	64.5	10%	0.102	33%	0.329	C	S	.	.	S	Bend	trans	-107	152.9	179.1	-61.3	-30.3	0	0	0	111.6	I492 P493 I499 H564 T566 V570 F571 Q572	I492-Y495 HydrophobicContact CB-CD2 3.58Å; I492-Y495 HydrophobicContact CB-CE2 4.09Å; I492-Y495 HydrophobicContact CB-CG 4.27Å; I492-Y495 HydrophobicContact CD1-CD2 3.88Å; I492-Y495 HydrophobicContact CD1-CE2 3.64Å; I492-Y495 HydrophobicContact CG1-CD2 4.3Å; I492-Y495 HydrophobicContact CG1-CE2 4.47Å; I492-Y495 HydrophobicContact CG2-CD2 3.56Å; I492-Y495 HydrophobicContact CG2-CE2 3.79Å; I492-Y495 HydrophobicContact CG2-CG 4.05Å; I492-Y495 PolarHBondContact O-N 3.03Å; P493-Y495 PolarHBondContact O-N 3.21Å; Y495-I499 HydrophobicContact CD2-CD1 4.13Å; Y495-I499 HydrophobicContact CG-CD1 4.43Å; Y495-H564 PolarHBondContact OH-O 2.88Å; Y495-T566 HydrophobicContact CD1-CG2 4.37Å; Y495-T566 HydrophobicContact CE1-CG2 3.59Å; Y495-T566 HydrophobicContact CE2-CG2 3.98Å; Y495-T566 WeakPolarHBondContact OH-CG2 3.44Å; Y495-V570 HydrophobicContact CE2-CG1 4.14Å; Y495-V570 PolarHBondContact OH-O 2.88Å; Y495-F571 WeakPolarHBondContact OH-CA 3.12Å; Y495-Q572 HydrophobicContact CD1-CG 4.23Å; Y495-Q572 HydrophobicContact CD2-CG 4.02Å; Y495-Q572 VanDerWaalsContact CD2-NE2 3.31Å; Y495-Q572 HydrophobicContact CE1-CG 3.81Å; Y495-Q572 HydrophobicContact CE2-CG 3.6Å; Y495-Q572 HydrophobicContact CG-CG 4.34Å; Y495-Q572 VanDerWaalsContact CZ-CG 3.49Å; Y495-Q572 PolarHBondContact OH-N 3.26Å
496	D	69.2	Low	81	Confident	124 Å²	124	61.2 Å²	61.2	66%	0.663	31%	0.314	S	S	*	.			trans	-64.7	146.2	172.1	-164.6	-5.4	0	0	0	110.5	D498 I499	D496-D498 PolarHBondContact O-N 3.1Å; D496-I499 VanDerWaalsContact O-CG1 3.24Å; D496-I499 WeakPolarHBondContact O-CG1 3.28Å
497	D	66.4	Low	81	Confident	134 Å²	134	64.1 Å²	64.1	72%	0.717	33%	0.326	S	S	*	.	S	Bend	trans	-64.1	-26.8	-177.7	-73.1	-36.5	0	0	0	111.5	I499	D497-I499 PolarHBondContact O-N 2.04Å
498	D	72.5	Confident	80.9	Confident	132 Å²	132	58 Å²	58	71%	0.706	30%	0.303	S	S	*	.			trans	-94.6	57.1	-178.5	-162.7	20.4	0	0	0	113.8	D496 S500	D496-D498 PolarHBondContact O-N 3.1Å; D498-S500 PolarHBondContact O-N 3.45Å
499	I	80.1	Confident	80.1	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.046	31%	0.305	C	S	.	.			trans	-67.7	108.1	172.2	-50.5	-177.1	0	0	0	109.8	Q486 C489 R490 Y495 D496 D497 V503	Q486-I499 PolarHBondContact NE2-O 3.48Å; Q486-I499 VanDerWaalsContact NE2-O 3.1Å; C489-I499 HydrophobicContact CB-CD1 4Å; C489-I499 VanDerWaalsContact O-CD1 3.28Å; C489-I499 WeakPolarHBondContact O-CD1 3.24Å; C489-I499 WeakPolarHBondContact SG-CD1 3.48Å; R490-I499 HydrophobicContact CG-CB 3.93Å; R490-I499 HydrophobicContact CG-CD1 4.19Å; R490-I499 HydrophobicContact CG-CG1 4.07Å; R490-I499 PolarHBondContact NE-O 3.14Å; R490-I499 PolarHBondContact NH2-O 3.04Å; Y495-I499 HydrophobicContact CD2-CD1 4.13Å; Y495-I499 HydrophobicContact CG-CD1 4.43Å; D496-I499 VanDerWaalsContact O-CG1 3.24Å; D496-I499 WeakPolarHBondContact O-CG1 3.28Å; D497-I499 PolarHBondContact O-N 2.04Å; I499-V503 HydrophobicContact CG2-CB 3.87Å; I499-V503 HydrophobicContact CG2-CG1 3.97Å
500	S	86.4	Confident	78.9	Confident	36 Å²	36	61.7 Å²	61.7	25%	0.252	32%	0.316	S	S	.	.			trans	-52	143.5	172.8	172.3	0	0	0	0	112.5	D424 Q486 D498 N502 V503	D424-S500 WeakPolarHBondContact OD2-CB 3.37Å; D424-S500 PolarHBondContact OD2-OG 3.22Å; Q486-S500 PolarHBondContact NE2-O 3.16Å; D498-S500 PolarHBondContact O-N 3.45Å; S500-N502 PolarHBondContact O-N 3.22Å; S500-N502 WeakPolarHBondContact OG-CB 3.38Å; S500-N502 PolarHBondContact OG-N 3.4Å; S500-N502 PolarHBondContact OG-ND2 2.97Å; S500-V503 PolarHBondContact O-N 3.46Å
501	V	87.5	Confident	77.2	Confident	81 Å²	81	65 Å²	65	49%	0.491	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.2	177.3	-63.3	0	0	0	0	114	V503 R575	V501-V503 VanDerWaalsContact C-N 3.34Å; V501-R575 PolarHBondContact O-NE 2.73Å
502	N	89.9	Confident	75.5	Confident	21 Å²	21	61.4 Å²	61.4	11%	0.112	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.3	175	-69.8	-43.6	0	0	0	114	D424 Y425 S500 R575 K579	D424-N502 WeakPolarHBondContact OD1-CB 3.48Å; D424-N502 PolarHBondContact OD1-ND2 3.42Å; D424-N502 VanDerWaalsContact OD1-ND2 3.14Å; D424-N502 PolarHBondContact OD2-ND2 3.28Å; Y425-N502 VanDerWaalsContact CZ-ND2 3.27Å; Y425-N502 PolarHBondContact OH-ND2 2.92Å; Y425-N502 VanDerWaalsContact OH-ND2 3.09Å; S500-N502 PolarHBondContact O-N 3.22Å; S500-N502 WeakPolarHBondContact OG-CB 3.38Å; S500-N502 PolarHBondContact OG-N 3.4Å; S500-N502 PolarHBondContact OG-ND2 2.97Å; N502-R575 WeakPolarHBondContact O-CB 3.3Å; N502-R575 PolarHBondContact O-N 3.26Å; N502-K579 VanDerWaalsContact CB-NZ 3.28Å; N502-K579 PolarHBondContact OD1-NZ 2.82Å
503	V	90.1	Very high	73.7	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.042	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	146.6	177.4	178.7	0	0	0	0	108	V423 D424 Q486 I499 S500 V501 Q572 Q573 R575	V423-V503 HydrophobicContact CB-CG2 4.31Å; V423-V503 HydrophobicContact CG1-CG1 4.01Å; V423-V503 HydrophobicContact CG1-CG2 4.25Å; D424-V503 HydrophobicContact CB-CG2 4.16Å; Q486-V503 PolarHBondContact OE1-O 2.94Å; Q486-V503 VanDerWaalsContact OE1-O 3.08Å; I499-V503 HydrophobicContact CG2-CB 3.87Å; I499-V503 HydrophobicContact CG2-CG1 3.97Å; S500-V503 PolarHBondContact O-N 3.46Å; V501-V503 VanDerWaalsContact C-N 3.34Å; V503-Q572 HydrophobicContact CG1-CB 3.88Å; V503-Q572 HydrophobicContact CG1-CG 4.07Å; V503-Q573 WeakPolarHBondContact CA-O 3.38Å; V503-R575 PolarHBondContact O-NH2 3.33Å
504	M	88.7	Confident	72.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	158.9	170.1	69.3	-178.9	-125.1	0	0	109.6	I483 L542 Q573 R575	I483-M504 HydrophobicContact CD1-CE 3.6Å; I483-M504 HydrophobicContact CG1-CE 4.04Å; M504-L542 HydrophobicContact CE-CD2 3.64Å; M504-Q573 HydrophobicContact CE-CG 4.17Å; M504-Q573 HydrophobicContact CG-CG 3.59Å; M504-Q573 PolarHBondContact N-O 2.83Å; M504-Q573 WeakPolarHBondContact O-CG 3.33Å; M504-Q573 PolarHBondContact O-N 2.78Å; M504-R575 HydrophobicContact CB-CB 4.26Å; M504-R575 HydrophobicContact CB-CG 4.41Å; M504-R575 VanDerWaalsContact CB-CZ 3.45Å; M504-R575 HydrophobicContact CG-CB 4.25Å; M504-R575 HydrophobicContact SD-CB 4.23Å; M504-R575 HydrophobicContact SD-CG 4.02Å
505	C	87.6	Confident	70.6	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.6	-175.9	-50.3	0	0	0	0	109.4	L484 C489 V570 F571	L484-C505 HydrophobicContact CB-CB 4.36Å; L484-C505 HydrophobicContact CD1-CB 4.41Å; L484-C505 PolarHBondContact N-O 3.48Å; C489-C505 HydrophobicContact CB-CB 3.53Å; C489-C505 WeakPolarHBondContact CB-SG 3.42Å; C489-C505 WeakPolarHBondContact SG-CB 3.42Å; C489-C505 CovalentContact SG-SG 1.98Å; C489-C505 PolarHBondContact SG-SG 2.84Å; C505-V570 HydrophobicContact CB-CG1 4.16Å; C505-F571 VanDerWaalsContact CA-O 3.31Å; C505-F571 WeakPolarHBondContact CA-O 3.48Å
506	A	88.3	Confident	69.2	Low	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.3	173.8	0	0	0	0	0	109.6	A481 S482 I483 L542 V570 F571	A481-A506 HydrophobicContact CB-CB 4.25Å; S482-A506 CarbonylContact O-C 3.54Å; S482-A506 WeakPolarHBondContact O-CA 3.37Å; S482-A506 WeakPolarHBondContact O-CB 3.46Å; I483-A506 HydrophobicContact CG1-CB 4.42Å; A506-L542 HydrophobicContact CB-CD2 3.67Å; A506-V570 CarbonylContact O-C 3.59Å; A506-V570 WeakPolarHBondContact O-CA 3.49Å; A506-V570 WeakPolarHBondContact O-CG1 3.36Å; A506-F571 HydrophobicContact CB-CE1 3.95Å; A506-F571 HydrophobicContact CB-CE2 3.87Å; A506-F571 HydrophobicContact CB-CZ 3.53Å; A506-F571 PolarHBondContact N-O 3.25Å; A506-F571 WeakPolarHBondContact O-CD1 3.11Å; A506-F571 WeakPolarHBondContact O-CE1 3.41Å; A506-F571 PolarHBondContact O-N 2.8Å
507	K	83	Confident	68	Low	99 Å²	99	61.7 Å²	61.7	43%	0.43	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.1	179.6	-174	-178.9	175.6	-174.5	0	108.9	A481 S482 L484 V570	A481-K507 CarbonylContact C-O 3.47Å; A481-K507 WeakPolarHBondContact CA-O 3.32Å; A481-K507 WeakPolarHBondContact CB-O 3.37Å; S482-K507 PolarHBondContact N-O 3.26Å; S482-K507 PolarHBondContact O-N 3.29Å; L484-K507 HydrophobicContact CD1-CB 4.27Å; L484-K507 HydrophobicContact CD2-CB 4.2Å; L484-K507 HydrophobicContact CG-CB 4.32Å; K507-V570 HydrophobicContact CB-CG2 4.04Å; K507-V570 HydrophobicContact CD-CG2 4.22Å; K507-V570 HydrophobicContact CG-CG2 3.9Å
508	F	77.7	Confident	67	Low	16 Å²	16	60 Å²	60	7%	0.07	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	144.3	171.9	-68.6	-65.8	0	0	0	112	L338 T466 F479 Q480 A481 W534 F565 G569 F571	L338-F508 HydrophobicContact CD2-CB 4.14Å; T466-F508 HydrophobicContact CG2-CE1 3.54Å; T466-F508 HydrophobicContact CG2-CZ 4.13Å; F479-F508 HydrophobicContact CB-CD1 3.76Å; F479-F508 HydrophobicContact CB-CE1 3.52Å; F479-F508 HydrophobicContact CD1-CE1 4.49Å; F479-F508 HydrophobicContact CG-CD1 4.48Å; F479-F508 HydrophobicContact CG-CE1 4.04Å; Q480-F508 WeakPolarHBondContact O-CA 3.43Å; A481-F508 HydrophobicContact CB-CD1 4.21Å; F508-W534 HydrophobicContact CB-CH2 4.03Å; F508-W534 HydrophobicContact CB-CZ3 4.33Å; F508-W534 HydrophobicContact CD1-CH2 4.49Å; F508-W534 AromaticContact CD1-CZ3 3.99Å; F508-W534 HydrophobicContact CD1-CZ3 3.99Å; F508-W534 AromaticContact CD2-CE3 3.87Å; F508-W534 HydrophobicContact CD2-CE3 3.87Å; F508-W534 AromaticContact CD2-CH2 3.61Å; F508-W534 HydrophobicContact CD2-CH2 3.61Å; F508-W534 AromaticContact CD2-CZ3 3.26Å; F508-W534 HydrophobicContact CD2-CZ3 3.26Å; F508-W534 HydrophobicContact CE1-CZ3 4.06Å; F508-W534 HydrophobicContact CE2-CD2 4.48Å; F508-W534 AromaticContact CE2-CE3 3.52Å; F508-W534 HydrophobicContact CE2-CE3 3.52Å; F508-W534 HydrophobicContact CE2-CH2 4.13Å; F508-W534 AromaticContact CE2-CZ3 3.31Å; F508-W534 HydrophobicContact CE2-CZ3 3.31Å; F508-W534 AromaticContact CG-CH2 3.8Å; F508-W534 HydrophobicContact CG-CH2 3.8Å; F508-W534 AromaticContact CG-CZ3 3.61Å; F508-W534 HydrophobicContact CG-CZ3 3.61Å; F508-W534 HydrophobicContact CZ-CE3 4.01Å; F508-W534 AromaticContact CZ-CZ3 3.74Å; F508-W534 HydrophobicContact CZ-CZ3 3.74Å; F508-F565 AromaticContact CE2-CD1 3.96Å; F508-F565 HydrophobicContact CE2-CD1 3.96Å; F508-F565 AromaticContact CE2-CE1 3.61Å; F508-F565 HydrophobicContact CE2-CE1 3.61Å; F508-F565 AromaticContact CZ-CE1 3.97Å; F508-F565 HydrophobicContact CZ-CE1 3.97Å; F508-G569 WeakPolarHBondContact CD2-O 3.49Å; F508-G569 PolarHBondContact N-O 3.25Å; F508-F571 HydrophobicContact CD1-CE1 4.15Å; F508-F571 HydrophobicContact CD2-CD1 4.07Å; F508-F571 AromaticContact CD2-CE1 3.98Å; F508-F571 HydrophobicContact CD2-CE1 3.98Å; F508-F571 AromaticContact CE1-CE1 3.78Å; F508-F571 HydrophobicContact CE1-CE1 3.78Å; F508-F571 HydrophobicContact CE1-CZ 4.33Å; F508-F571 AromaticContact CE2-CD1 3.63Å; F508-F571 HydrophobicContact CE2-CD1 3.63Å; F508-F571 AromaticContact CE2-CE1 3.63Å; F508-F571 HydrophobicContact CE2-CE1 3.63Å; F508-F571 HydrophobicContact CG-CE1 4.25Å; F508-F571 AromaticContact CZ-CD1 3.91Å; F508-F571 HydrophobicContact CZ-CD1 3.91Å; F508-F571 AromaticContact CZ-CE1 3.51Å; F508-F571 HydrophobicContact CZ-CE1 3.51Å; F508-F571 HydrophobicContact CZ-CZ 4.2Å
509	W	65.6	Low	65.7	Low	110 Å²	110	54.6 Å²	54.6	42%	0.417	28%	0.283	S	S	.	.			trans	-79.4	128	167.2	-76.4	82.7	0	0	0	110.2	L338 T462 Q480 S482	L338-W509 WeakPolarHBondContact CD1-O 3.27Å; L338-W509 VanDerWaalsContact CD2-O 3.26Å; L338-W509 WeakPolarHBondContact CD2-O 3.45Å; L338-W509 WeakPolarHBondContact CG-O 3.37Å; T462-W509 HydrophobicContact CG2-CZ2 3.87Å; T462-W509 PolarHBondContact O-NE1 3.16Å; T462-W509 VanDerWaalsContact O-NE1 3.07Å; Q480-W509 HydrophobicContact CB-CB 4.19Å; Q480-W509 HydrophobicContact CB-CG 4.46Å; Q480-W509 HydrophobicContact CG-CB 4.34Å; Q480-W509 HydrophobicContact CG-CG 4.1Å; Q480-W509 PolarHBondContact O-N 3.14Å; S482-W509 VanDerWaalsContact OG-CE2 3.24Å; S482-W509 WeakPolarHBondContact OG-CZ2 2.97Å; S482-W509 PolarHBondContact OG-NE1 3.35Å
510	D	58.2	Low	64	Low	43 Å²	43	60.6 Å²	60.6	23%	0.23	31%	0.308	C	S	.	.			trans	-127.8	101.1	170.7	-170.1	9.9	0	0	0	106.8	L338 D512 S516	L338-D510 HydrophobicContact CD1-CB 3.52Å; D510-D512 VanDerWaalsContact CG-O 3.3Å; D510-D512 PolarHBondContact O-N 3.22Å; D510-D512 PolarHBondContact OD1-N 2.89Å; D510-D512 VanDerWaalsContact OD2-O 3.09Å; D510-S516 PolarHBondContact OD2-N 2.88Å; D510-S516 PolarHBondContact OD2-OG 2.9Å
511	E	47.9	Very low	62.1	Low	166 Å²	166	65.5 Å²	65.5	78%	0.776	32%	0.321	S	S	*	.	S	Bend	trans	-65.3	-26.8	172.2	-73	-167.5	160.4	0	0	111.1	A513	E511-A513 PolarHBondContact O-N 3.42Å
512	D	45	Very low	60.2	Low	47 Å²	47	62.2 Å²	62.2	25%	0.251	30%	0.301	S	S	.	.			trans	-91	87.4	-178	-129.3	-7.7	0	0	0	108.9	D510 R514 F515	D510-D512 VanDerWaalsContact CG-O 3.3Å; D510-D512 PolarHBondContact O-N 3.22Å; D510-D512 PolarHBondContact OD1-N 2.89Å; D510-D512 VanDerWaalsContact OD2-O 3.09Å; D512-R514 PolarHBondContact O-N 2.89Å; D512-R514 IonicContact OD1-CZ 2.74Å; D512-R514 IonicContact OD1-NE 3.78Å; D512-R514 PolarHBondContact OD1-NE 2.87Å; D512-R514 IonicContact OD1-NH2 2.62Å; D512-R514 PolarHBondContact OD1-NH2 3.33Å; D512-F515 HydrophobicContact CB-CB 4.24Å; D512-F515 WeakPolarHBondContact O-CB 3.43Å; D512-F515 PolarHBondContact O-N 2.86Å
513	A	42.2	Very low	58.1	Low	80 Å²	80	64.1 Å²	64.1	66%	0.661	31%	0.314	S	S	*	.	H	α-helix	trans	-51	-20.3	166.3	0	0	0	0	0	112.6	E511 A517	E511-A513 PolarHBondContact O-N 3.42Å; A513-A517 PolarHBondContact O-N 2.86Å; A513-A517 VanDerWaalsContact O-N 3.1Å
514	R	40.8	Very low	56	Low	185 Å²	185	69.9 Å²	69.9	70%	0.698	34%	0.34	S	S	*	.	H	α-helix	trans	-67.7	-30.6	169.9	-76.4	-178.8	-69.3	-128.9	-5.5	114.2	D512 A517 K518	D512-R514 PolarHBondContact O-N 2.89Å; D512-R514 IonicContact OD1-CZ 2.74Å; D512-R514 IonicContact OD1-NE 3.78Å; D512-R514 PolarHBondContact OD1-NE 2.87Å; D512-R514 IonicContact OD1-NH2 2.62Å; D512-R514 PolarHBondContact OD1-NH2 3.33Å; R514-A517 CarbonylContact O-C 3.54Å; R514-A517 PolarHBondContact O-N 3.04Å; R514-K518 VanDerWaalsContact O-CB 3.24Å; R514-K518 WeakPolarHBondContact O-CB 3.19Å; R514-K518 PolarHBondContact O-N 3.18Å
515	F	41.5	Very low	53.9	Low	17 Å²	17	75.4 Å²	75.4	8%	0.075	37%	0.366	C	S	.	.	H	α-helix	trans	-73	-43.8	173.9	-175.9	-101.7	0	0	0	110.7	M337 L338 D512 A517 K518 V519 W534	M337-F515 HydrophobicContact CE-CD2 4.2Å; L338-F515 HydrophobicContact CD1-CD1 4.39Å; D512-F515 HydrophobicContact CB-CB 4.24Å; D512-F515 WeakPolarHBondContact O-CB 3.43Å; D512-F515 PolarHBondContact O-N 2.86Å; F515-A517 PolarHBondContact O-N 2.72Å; F515-K518 CarbonylContact O-C 3.57Å; F515-K518 WeakPolarHBondContact O-CA 3.31Å; F515-K518 WeakPolarHBondContact O-CB 3.4Å; F515-K518 PolarHBondContact O-N 3.2Å; F515-V519 HydrophobicContact CD1-CG2 3.68Å; F515-V519 HydrophobicContact CD2-CG2 4.37Å; F515-V519 HydrophobicContact CE1-CG2 3.3Å; F515-V519 HydrophobicContact CE2-CG2 4.05Å; F515-V519 HydrophobicContact CG-CG2 4.21Å; F515-V519 HydrophobicContact CZ-CG2 3.51Å; F515-V519 WeakPolarHBondContact O-CB 3.32Å; F515-V519 WeakPolarHBondContact O-CG2 3.35Å; F515-V519 PolarHBondContact O-N 3.49Å; F515-W534 HydrophobicContact CE1-CZ2 4.23Å
516	S	44.9	Very low	51.7	Low	71 Å²	71	84.4 Å²	84.4	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-54.4	-39.9	167.8	-73	0	0	0	0	112.5	D510 K520	D510-S516 PolarHBondContact OD2-N 2.88Å; D510-S516 PolarHBondContact OD2-OG 2.9Å; S516-K520 WeakPolarHBondContact O-CB 3.41Å; S516-K520 PolarHBondContact O-N 3.39Å
517	A	43.7	Very low	49.2	Very low	41 Å²	41	91 Å²	91	34%	0.339	43%	0.434	S	S	.	.	H	α-helix	trans	-70.2	-31.2	172.3	0	0	0	0	0	113.9	A513 R514 F515 R521	A513-A517 PolarHBondContact O-N 2.86Å; A513-A517 VanDerWaalsContact O-N 3.1Å; R514-A517 CarbonylContact O-C 3.54Å; R514-A517 PolarHBondContact O-N 3.04Å; F515-A517 PolarHBondContact O-N 2.72Å; A517-R521 WeakPolarHBondContact O-CB 3.39Å; A517-R521 PolarHBondContact O-N 3.46Å
518	K	44.9	Very low	46.7	Very low	97 Å²	97	92.7 Å²	92.7	42%	0.422	45%	0.445	S	S	.	.	H	α-helix	trans	-75.8	-41.8	176.8	-167.9	175.6	-177.1	-179.8	0	111.1	R514 F515 R521 V522	R514-K518 VanDerWaalsContact O-CB 3.24Å; R514-K518 WeakPolarHBondContact O-CB 3.19Å; R514-K518 PolarHBondContact O-N 3.18Å; F515-K518 CarbonylContact O-C 3.57Å; F515-K518 WeakPolarHBondContact O-CA 3.31Å; F515-K518 WeakPolarHBondContact O-CB 3.4Å; F515-K518 PolarHBondContact O-N 3.2Å; K518-R521 CarbonylContact O-C 3.59Å; K518-R521 PolarHBondContact O-N 3.23Å; K518-V522 HydrophobicContact CG-CG2 4.43Å; K518-V522 WeakPolarHBondContact O-CB 3.35Å; K518-V522 WeakPolarHBondContact O-CG2 3.09Å; K518-V522 PolarHBondContact O-N 2.85Å
519	V	46.7	Very low	44.5	Very low	20 Å²	20	98.2 Å²	98.2	12%	0.121	47%	0.471	C	S	.	.	H	α-helix	trans	-59.4	-48.3	169.2	170.7	0	0	0	0	109.1	F515 R521 V522 V523 V531	F515-V519 HydrophobicContact CD1-CG2 3.68Å; F515-V519 HydrophobicContact CD2-CG2 4.37Å; F515-V519 HydrophobicContact CE1-CG2 3.3Å; F515-V519 HydrophobicContact CE2-CG2 4.05Å; F515-V519 HydrophobicContact CG-CG2 4.21Å; F515-V519 HydrophobicContact CZ-CG2 3.51Å; F515-V519 WeakPolarHBondContact O-CB 3.32Å; F515-V519 WeakPolarHBondContact O-CG2 3.35Å; F515-V519 PolarHBondContact O-N 3.49Å; V519-R521 PolarHBondContact O-N 2.99Å; V519-V522 PolarHBondContact O-N 2.89Å; V519-V522 VanDerWaalsContact O-N 3.13Å; V519-V523 HydrophobicContact CG1-CG2 4.14Å; V519-V523 WeakPolarHBondContact O-CB 3.35Å; V519-V523 WeakPolarHBondContact O-CG2 3.37Å; V519-V523 PolarHBondContact O-N 2.84Å; V519-V531 HydrophobicContact CG1-CG2 4.25Å
520	K	44.1	Very low	43.1	Very low	134 Å²	134	97 Å²	97	58%	0.583	47%	0.47	S	S	*	.	H	α-helix	trans	-56.6	-47.9	173.2	-170.2	173.8	-179.4	179.4	0	111.6	S516 V522 V523 E524	S516-K520 WeakPolarHBondContact O-CB 3.41Å; S516-K520 PolarHBondContact O-N 3.39Å; K520-V522 VanDerWaalsContact C-N 3.34Å; K520-V522 PolarHBondContact O-N 2.93Å; K520-V523 PolarHBondContact O-N 3.29Å; K520-E524 VanDerWaalsContact CE-OE1 3.25Å; K520-E524 WeakPolarHBondContact CE-OE1 3.45Å; K520-E524 WeakPolarHBondContact CG-OE1 3.04Å; K520-E524 VanDerWaalsContact O-CB 3.26Å; K520-E524 WeakPolarHBondContact O-CB 3.47Å; K520-E524 WeakPolarHBondContact O-CG 3.37Å; K520-E524 PolarHBondContact O-N 3.17Å
521	R	44.9	Very low	42.1	Very low	140 Å²	140	96.9 Å²	96.9	53%	0.528	47%	0.47	S	S	.	.	H	α-helix	trans	-61.6	-37.3	174.7	-114	-178.8	-76.7	150.2	-6.3	113.5	A517 K518 V519 Q525	A517-R521 WeakPolarHBondContact O-CB 3.39Å; A517-R521 PolarHBondContact O-N 3.46Å; K518-R521 CarbonylContact O-C 3.59Å; K518-R521 PolarHBondContact O-N 3.23Å; V519-R521 PolarHBondContact O-N 2.99Å; R521-Q525 WeakPolarHBondContact O-CB 3.16Å; R521-Q525 WeakPolarHBondContact O-CG 3.23Å; R521-Q525 PolarHBondContact O-N 3.06Å
522	V	47.6	Very low	41.7	Very low	11 Å²	11	91.3 Å²	91.3	7%	0.067	45%	0.446	C	S	.	.	H	α-helix	trans	-73.2	-41.8	-178.9	158.2	0	0	0	0	110.9	K518 V519 K520 Q525 K526 K527 H530 V531	K518-V522 HydrophobicContact CG-CG2 4.43Å; K518-V522 WeakPolarHBondContact O-CB 3.35Å; K518-V522 WeakPolarHBondContact O-CG2 3.09Å; K518-V522 PolarHBondContact O-N 2.85Å; V519-V522 PolarHBondContact O-N 2.89Å; V519-V522 VanDerWaalsContact O-N 3.13Å; K520-V522 VanDerWaalsContact C-N 3.34Å; K520-V522 PolarHBondContact O-N 2.93Å; V522-Q525 CarbonylContact O-C 3.53Å; V522-Q525 PolarHBondContact O-N 3.43Å; V522-K526 PolarHBondContact O-N 3.06Å; V522-K527 HydrophobicContact CG1-CB 4.4Å; V522-K527 WeakPolarHBondContact CG1-O 3.46Å; V522-K527 PolarHBondContact O-N 3.45Å; V522-H530 HydrophobicContact CB-CB 4.49Å; V522-H530 HydrophobicContact CG1-CB 3.65Å; V522-H530 HydrophobicContact CG2-CB 4.22Å; V522-V531 HydrophobicContact CG1-CG2 4.17Å
523	V	46.2	Very low	41.5	Very low	62 Å²	62	92.4 Å²	92.4	38%	0.376	45%	0.446	S	S	.	.	H	α-helix	trans	-62.4	-48.5	171.9	172.4	0	0	0	0	109.5	V519 K520 Q525 K526 V531	V519-V523 HydrophobicContact CG1-CG2 4.14Å; V519-V523 WeakPolarHBondContact O-CB 3.35Å; V519-V523 WeakPolarHBondContact O-CG2 3.37Å; V519-V523 PolarHBondContact O-N 2.84Å; K520-V523 PolarHBondContact O-N 3.29Å; V523-Q525 VanDerWaalsContact C-N 3.26Å; V523-Q525 PolarHBondContact O-N 3.25Å; V523-K526 PolarHBondContact O-N 3.08Å; V523-K526 VanDerWaalsContact O-N 3.08Å; V523-V531 HydrophobicContact CG2-CG2 3.41Å; V523-V531 VanDerWaalsContact CG2-CG2 3.41Å
524	E	45.6	Very low	41.8	Very low	127 Å²	127	90.7 Å²	90.7	59%	0.593	42%	0.423	S	S	*	.	H	α-helix	trans	-60.8	-35.1	175	-74.6	168.3	178.7	0	0	111.8	K520 K526	K520-E524 VanDerWaalsContact CE-OE1 3.25Å; K520-E524 WeakPolarHBondContact CE-OE1 3.45Å; K520-E524 WeakPolarHBondContact CG-OE1 3.04Å; K520-E524 VanDerWaalsContact O-CB 3.26Å; K520-E524 WeakPolarHBondContact O-CB 3.47Å; K520-E524 WeakPolarHBondContact O-CG 3.37Å; K520-E524 PolarHBondContact O-N 3.17Å; E524-K526 VanDerWaalsContact C-N 3.28Å; E524-K526 PolarHBondContact O-N 3.22Å
525	Q	44.7	Very low	42.3	Very low	117 Å²	117	85.8 Å²	85.8	55%	0.547	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	4.7	176.6	-75.6	176.3	-4.2	0	0	114.4	R521 V522 V523 K527	R521-Q525 WeakPolarHBondContact O-CB 3.16Å; R521-Q525 WeakPolarHBondContact O-CG 3.23Å; R521-Q525 PolarHBondContact O-N 3.06Å; V522-Q525 CarbonylContact O-C 3.53Å; V522-Q525 PolarHBondContact O-N 3.43Å; V523-Q525 VanDerWaalsContact C-N 3.26Å; V523-Q525 PolarHBondContact O-N 3.25Å; Q525-K527 PolarHBondContact O-N 3.26Å
526	K	41.9	Very low	43.2	Very low	189 Å²	189	85.7 Å²	85.7	82%	0.822	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	18.1	-173.3	-68.7	-175.6	174	-178.6	0	114.2	V522 V523 E524 M528	V522-K526 PolarHBondContact O-N 3.06Å; V523-K526 PolarHBondContact O-N 3.08Å; V523-K526 VanDerWaalsContact O-N 3.08Å; E524-K526 VanDerWaalsContact C-N 3.28Å; E524-K526 PolarHBondContact O-N 3.22Å; K526-M528 PolarHBondContact O-N 2.74Å
527	K	35	Very low	44.8	Very low	139 Å²	139	83 Å²	83	60%	0.604	39%	0.391	S	S	*	.			trans	-84	71.4	174.3	-78.8	-171.7	174.4	-177.7	0	108.1	V522 Q525 E529	V522-K527 HydrophobicContact CG1-CB 4.4Å; V522-K527 WeakPolarHBondContact CG1-O 3.46Å; V522-K527 PolarHBondContact O-N 3.45Å; Q525-K527 PolarHBondContact O-N 3.26Å; K527-E529 PolarHBondContact O-N 3.1Å
528	M	31.1	Very low	46.8	Very low	134 Å²	134	81.3 Å²	81.3	66%	0.66	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-50.4	-25.7	-173.6	-139.4	89.9	113.5	0	0	113.7	K526 H530 V531 L532	K526-M528 PolarHBondContact O-N 2.74Å; M528-H530 VanDerWaalsContact C-N 3.34Å; M528-H530 PolarHBondContact O-N 3.23Å; M528-H530 VanDerWaalsContact O-N 3.14Å; M528-V531 WeakPolarHBondContact O-CB 3.48Å; M528-V531 PolarHBondContact O-N 3.42Å; M528-L532 HydrophobicContact CG-CD2 4.44Å; M528-L532 WeakPolarHBondContact O-CG 3.28Å; M528-L532 PolarHBondContact O-N 3.33Å; M528-L532 VanDerWaalsContact O-N 3.1Å
529	E	32.6	Very low	49	Very low	132 Å²	132	76.7 Å²	76.7	62%	0.617	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-52.8	-35.7	-171.6	-67.8	-162.6	130.3	0	0	116.5	R472 K527 L532	R472-E529 IonicContact NH1-OE1 2.67Å; R472-E529 PolarHBondContact NH1-OE1 3.4Å; K527-E529 PolarHBondContact O-N 3.1Å; E529-L532 WeakPolarHBondContact O-CB 3.3Å; E529-L532 PolarHBondContact O-N 3.47Å
530	H	35.5	Very low	51.2	Low	86 Å²	86	75.9 Å²	75.9	40%	0.398	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-82.8	-19.2	178.5	-82.7	-93.3	0	0	0	113.4	V522 M528	V522-H530 HydrophobicContact CB-CB 4.49Å; V522-H530 HydrophobicContact CG1-CB 3.65Å; V522-H530 HydrophobicContact CG2-CB 4.22Å; M528-H530 VanDerWaalsContact C-N 3.34Å; M528-H530 PolarHBondContact O-N 3.23Å; M528-H530 VanDerWaalsContact O-N 3.14Å
531	V	38.2	Very low	53.7	Low	40 Å²	40	69.5 Å²	69.5	24%	0.242	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-24.9	170.4	-175.9	0	0	0	0	110.1	V519 V522 V523 M528 Y533 W534	V519-V531 HydrophobicContact CG1-CG2 4.25Å; V522-V531 HydrophobicContact CG1-CG2 4.17Å; V523-V531 HydrophobicContact CG2-CG2 3.41Å; V523-V531 VanDerWaalsContact CG2-CG2 3.41Å; M528-V531 WeakPolarHBondContact O-CB 3.48Å; M528-V531 PolarHBondContact O-N 3.42Å; V531-Y533 PolarHBondContact O-N 3.18Å; V531-Y533 VanDerWaalsContact O-N 3.14Å; V531-W534 VanDerWaalsContact O-CD1 3.27Å; V531-W534 PolarHBondContact O-N 2.9Å
532	L	38.2	Very low	56	Low	49 Å²	49	62.8 Å²	62.8	26%	0.257	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-65.4	-10.9	174.7	-58.7	177.3	0	0	0	113.6	M528 E529 W534 Q535	M528-L532 HydrophobicContact CG-CD2 4.44Å; M528-L532 WeakPolarHBondContact O-CG 3.28Å; M528-L532 PolarHBondContact O-N 3.33Å; M528-L532 VanDerWaalsContact O-N 3.1Å; E529-L532 WeakPolarHBondContact O-CB 3.3Å; E529-L532 PolarHBondContact O-N 3.47Å; L532-W534 PolarHBondContact O-N 3.24Å; L532-W534 VanDerWaalsContact O-N 3.15Å; L532-Q535 VanDerWaalsContact CD2-CD 3.49Å; L532-Q535 HydrophobicContact CD2-CG 4.33Å; L532-Q535 WeakPolarHBondContact O-CB 3.2Å; L532-Q535 PolarHBondContact O-N 3.25Å
533	Y	41	Very low	58.2	Low	69 Å²	69	62.3 Å²	62.3	27%	0.271	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-59.5	-24.3	175.6	-124.5	-75.6	0	0	0	112.7	G339 H473 V531	G339-Y533 WeakPolarHBondContact O-CE1 3.39Å; H473-Y533 AromaticContact CD2-CE1 3.97Å; H473-Y533 AromaticContact CE1-CZ 3.64Å; H473-Y533 PolarHBondContact CE1-OH 3.07Å; H473-Y533 AromaticContact NE2-CE1 3.6Å; H473-Y533 AromaticContact NE2-CE2 3.62Å; H473-Y533 AromaticContact NE2-CZ 3.33Å; H473-Y533 VanDerWaalsContact NE2-CZ 3.33Å; V531-Y533 PolarHBondContact O-N 3.18Å; V531-Y533 VanDerWaalsContact O-N 3.14Å
534	W	48.4	Very low	60.3	Low	45 Å²	45	59.4 Å²	59.4	17%	0.17	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-85.8	-3.8	177.2	-54.1	112	0	0	0	114.1	L338 F479 F508 F515 V531 L532 G536	L338-W534 HydrophobicContact CB-CH2 3.94Å; L338-W534 HydrophobicContact CB-CZ2 4.29Å; L338-W534 HydrophobicContact CD1-CH2 3.61Å; L338-W534 HydrophobicContact CD1-CZ2 3.9Å; L338-W534 HydrophobicContact CD2-CH2 3.57Å; L338-W534 HydrophobicContact CD2-CZ3 4.13Å; L338-W534 HydrophobicContact CG-CH2 3.89Å; L338-W534 HydrophobicContact CG-CZ2 4.48Å; F479-W534 AromaticContact CD1-CZ3 3.9Å; F479-W534 HydrophobicContact CD1-CZ3 3.9Å; F479-W534 HydrophobicContact CE1-CE3 4.36Å; F479-W534 AromaticContact CE1-CZ3 3.95Å; F479-W534 HydrophobicContact CE1-CZ3 3.95Å; F508-W534 HydrophobicContact CB-CH2 4.03Å; F508-W534 HydrophobicContact CB-CZ3 4.33Å; F508-W534 HydrophobicContact CD1-CH2 4.49Å; F508-W534 AromaticContact CD1-CZ3 3.99Å; F508-W534 HydrophobicContact CD1-CZ3 3.99Å; F508-W534 AromaticContact CD2-CE3 3.87Å; F508-W534 HydrophobicContact CD2-CE3 3.87Å; F508-W534 AromaticContact CD2-CH2 3.61Å; F508-W534 HydrophobicContact CD2-CH2 3.61Å; F508-W534 AromaticContact CD2-CZ3 3.26Å; F508-W534 HydrophobicContact CD2-CZ3 3.26Å; F508-W534 HydrophobicContact CE1-CZ3 4.06Å; F508-W534 HydrophobicContact CE2-CD2 4.48Å; F508-W534 AromaticContact CE2-CE3 3.52Å; F508-W534 HydrophobicContact CE2-CE3 3.52Å; F508-W534 HydrophobicContact CE2-CH2 4.13Å; F508-W534 AromaticContact CE2-CZ3 3.31Å; F508-W534 HydrophobicContact CE2-CZ3 3.31Å; F508-W534 AromaticContact CG-CH2 3.8Å; F508-W534 HydrophobicContact CG-CH2 3.8Å; F508-W534 AromaticContact CG-CZ3 3.61Å; F508-W534 HydrophobicContact CG-CZ3 3.61Å; F508-W534 HydrophobicContact CZ-CE3 4.01Å; F508-W534 AromaticContact CZ-CZ3 3.74Å; F508-W534 HydrophobicContact CZ-CZ3 3.74Å; F515-W534 HydrophobicContact CE1-CZ2 4.23Å; V531-W534 VanDerWaalsContact O-CD1 3.27Å; V531-W534 PolarHBondContact O-N 2.9Å; L532-W534 PolarHBondContact O-N 3.24Å; L532-W534 VanDerWaalsContact O-N 3.15Å; W534-G536 PolarHBondContact O-N 3.15Å
535	Q	51.7	Low	62.3	Low	82 Å²	82	55.9 Å²	55.9	38%	0.383	26%	0.263	S	S	.	.			trans	-78.1	65.2	169.1	-56	-174	-21.4	0	0	109.3	W471 L532 A562	W471-Q535 PolarHBondContact N-O 1.98Å; L532-Q535 VanDerWaalsContact CD2-CD 3.49Å; L532-Q535 HydrophobicContact CD2-CG 4.33Å; L532-Q535 WeakPolarHBondContact O-CB 3.2Å; L532-Q535 PolarHBondContact O-N 3.25Å; Q535-A562 HydrophobicContact CB-CB 4.28Å; Q535-A562 HydrophobicContact CG-CB 3.79Å
536	G	61	Low	63.8	Low	15 Å²	15	53.3 Å²	53.3	16%	0.155	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-63.4	154.6	159.1	0	0	0	0	0	109.8	W469 W534 G538	W469-G536 CarbonylContact O-C 3.52Å; W469-G536 WeakPolarHBondContact O-CA 3.31Å; W534-G536 PolarHBondContact O-N 3.15Å; G536-G538 PolarHBondContact O-N 2.99Å; G536-G538 VanDerWaalsContact O-N 3.08Å
537	R	77.9	Confident	65.2	Low	15 Å²	15	48.2 Å²	48.2	6%	0.057	24%	0.235	C	C	.	.			trans	-64.5	105.7	163	-70.2	-179.7	-174.6	-84.1	10.7	106.9	P360 S361 A363 T468 W469 W471	P360-R537 PolarHBondContact O-NH1 3.48Å; P360-R537 PolarHBondContact O-NH2 3.21Å; S361-R537 WeakPolarHBondContact O-CD 3.28Å; S361-R537 WeakPolarHBondContact O-CG 3.45Å; S361-R537 PolarHBondContact O-NH1 3.36Å; A363-R537 WeakPolarHBondContact CB-O 2.97Å; T468-R537 PolarHBondContact OG1-N 3.3Å; T468-R537 PolarHBondContact OG1-O 3.39Å; W469-R537 WeakPolarHBondContact O-CB 3.11Å; W469-R537 WeakPolarHBondContact O-CG 3.47Å; W469-R537 PolarHBondContact O-N 3.29Å; W471-R537 HydrophobicContact CD2-CG 4.5Å
538	G	85.7	Confident	66.8	Low	5 Å²	5	48.1 Å²	48.1	5%	0.052	24%	0.237	C	C	.	.	S	Bend	trans	-57.6	167.9	-179.8	0	0	0	0	0	112.7	A363 G536	A363-G538 PolarHBondContact N-O 2.98Å; G536-G538 PolarHBondContact O-N 2.99Å; G536-G538 VanDerWaalsContact O-N 3.08Å
539	G	91.2	Very high	68.5	Low	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.			trans	96.5	-4.3	-179.5	0	0	0	0	0	115.1	A363 T374 V559	A363-G539 CarbonylContact O-C 3.56Å; A363-G539 VanDerWaalsContact O-CA 3.31Å; A363-G539 WeakPolarHBondContact O-CA 3.5Å; T374-G539 VanDerWaalsContact OG1-CA 3.28Å; T374-G539 WeakPolarHBondContact OG1-CA 3.2Å; G539-V559 WeakPolarHBondContact CA-O 3.37Å; G539-V559 PolarHBondContact N-O 3.08Å
540	G	93	Very high	70.1	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.021	25%	0.246	C	C	.	.			trans	-70.1	167.7	173.1	0	0	0	0	0	112.7	V559	G540-V559 PolarHBondContact O-N 2.03Å
541	P	95.6	Very high	72.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	158	-176.1	33.9	-32.6	0	0	0	112.1	M351 T365 T466 V543 I555	M351-P541 VanDerWaalsContact SD-CD 3.57Å; M351-P541 HydrophobicContact SD-CG 3.88Å; T365-P541 HydrophobicContact CG2-CB 3.89Å; T365-P541 HydrophobicContact CG2-CG 4.02Å; T365-P541 WeakPolarHBondContact OG1-CB 3.31Å; T365-P541 VanDerWaalsContact OG1-CD 3.25Å; T365-P541 WeakPolarHBondContact OG1-CD 3.07Å; T365-P541 WeakPolarHBondContact OG1-CG 3.46Å; T466-P541 VanDerWaalsContact CA-O 3.28Å; T466-P541 WeakPolarHBondContact CA-O 3.42Å; T466-P541 WeakPolarHBondContact CB-O 3.44Å; T466-P541 PolarHBondContact OG1-O 2.96Å; P541-V543 HydrophobicContact CB-CG1 3.81Å; P541-V543 HydrophobicContact CG-CG1 4.11Å; P541-I555 HydrophobicContact CB-CD1 3.72Å; P541-I555 HydrophobicContact CB-CG1 3.89Å
542	L	94	Very high	74.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.5	148.7	-176.7	71.4	0	0	0	107.9	C464 A481 I483 M504 A506 Y556 G557 V559	C464-L542 HydrophobicContact CB-CD1 3.93Å; C464-L542 HydrophobicContact CB-CG 4.24Å; A481-L542 HydrophobicContact CB-CD1 3.97Å; I483-L542 HydrophobicContact CD1-CD2 3.76Å; I483-L542 HydrophobicContact CG1-CD2 3.57Å; M504-L542 HydrophobicContact CE-CD2 3.64Å; A506-L542 HydrophobicContact CB-CD2 3.67Å; L542-Y556 PolarHBondContact O-N 3.01Å; L542-G557 PolarHBondContact N-O 2.73Å; L542-G557 PolarHBondContact O-N 3.24Å; L542-V559 HydrophobicContact CB-CG2 4.29Å
543	V	94.5	Very high	77.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.9	179.7	-62.5	0	0	0	0	111.4	W348 W350 V447 C464 I465 P541 W553 T554 I555	W348-V543 HydrophobicContact CE3-CG2 4.3Å; W348-V543 HydrophobicContact CZ3-CG2 3.78Å; W350-V543 HydrophobicContact CZ2-CG1 4.34Å; W350-V543 HydrophobicContact CZ2-CG2 4.14Å; V447-V543 HydrophobicContact CG2-CG1 3.66Å; C464-V543 CarbonylContact C-O 3.47Å; C464-V543 WeakPolarHBondContact CA-O 3.26Å; C464-V543 VanDerWaalsContact CB-O 3.27Å; C464-V543 WeakPolarHBondContact CB-O 3.38Å; I465-V543 HydrophobicContact CB-CG2 4.2Å; I465-V543 PolarHBondContact N-O 3.05Å; I465-V543 VanDerWaalsContact O-CG2 3.26Å; I465-V543 WeakPolarHBondContact O-CG2 3.45Å; I465-V543 PolarHBondContact O-N 3.48Å; P541-V543 HydrophobicContact CB-CG1 3.81Å; P541-V543 HydrophobicContact CG-CG1 4.11Å; V543-W553 HydrophobicContact CB-CB 4.45Å; V543-W553 HydrophobicContact CB-CE3 3.93Å; V543-W553 HydrophobicContact CG2-CD2 4.33Å; V543-W553 HydrophobicContact CG2-CE3 3.53Å; V543-W553 HydrophobicContact CG2-CZ3 4.03Å; V543-T554 CarbonylContact C-O 3.43Å; V543-T554 WeakPolarHBondContact CA-O 3.16Å; V543-I555 HydrophobicContact CG1-CB 4.33Å
544	C	90.7	Very high	79.7	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155.3	175.5	-47.7	0	0	0	0	109.4	C464 I483 T554 Y556	C464-C544 HydrophobicContact CB-CB 4.05Å; C464-C544 WeakPolarHBondContact CB-SG 3.39Å; C464-C544 WeakPolarHBondContact SG-CB 3.43Å; C464-C544 CovalentContact SG-SG 2.03Å; C464-C544 PolarHBondContact SG-SG 3.18Å; I483-C544 WeakPolarHBondContact CD1-SG 3.5Å; C544-T554 PolarHBondContact N-O 3.38Å; C544-T554 PolarHBondContact O-N 2.65Å; C544-Y556 HydrophobicContact CB-CD2 3.84Å; C544-Y556 HydrophobicContact CB-CE2 4.03Å
545	M	86.2	Confident	82	Confident	53 Å²	53	42.5 Å²	42.5	26%	0.261	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.7	163.7	-66.4	-178.3	-66.3	0	0	108.1	W553	M545-W553 HydrophobicContact CE-CH2 3.96Å; M545-W553 HydrophobicContact CE-CZ2 3.79Å; M545-W553 HydrophobicContact CG-CD2 3.66Å; M545-W553 HydrophobicContact CG-CE3 3.92Å; M545-W553 HydrophobicContact CG-CG 4.2Å; M545-W553 HydrophobicContact CG-CH2 4.01Å; M545-W553 HydrophobicContact CG-CZ2 3.76Å; M545-W553 HydrophobicContact CG-CZ3 4.09Å; M545-W553 HydrophobicContact SD-CD2 4.46Å; M545-W553 HydrophobicContact SD-CH2 4.26Å; M545-W553 HydrophobicContact SD-CZ2 3.65Å
546	D	76.2	Confident	84	Confident	63 Å²	63	38.9 Å²	38.9	34%	0.337	20%	0.202	S	C	.	.	S	Bend	trans	-78	-35.3	-179.6	-69.3	-39.8	0	0	0	111.9	T554 Y556	D546-T554 WeakPolarHBondContact OD2-CB 3.48Å; D546-T554 PolarHBondContact OD2-OG1 2.98Å; D546-Y556 VanDerWaalsContact CG-OH 3.26Å; D546-Y556 VanDerWaalsContact OD1-CE2 3.23Å; D546-Y556 WeakPolarHBondContact OD1-CE2 3.42Å; D546-Y556 VanDerWaalsContact OD1-CZ 3.24Å; D546-Y556 PolarHBondContact OD1-OH 2.79Å; D546-Y556 PolarHBondContact OD2-OH 3.43Å
547	D	72.4	Confident	85.5	Confident	82 Å²	82	38.1 Å²	38.1	44%	0.439	20%	0.195	S	C	.	.			trans	-139.1	135.9	173.1	-156.6	-31.7	0	0	0	108.5	E549 D550	D547-E549 PolarHBondContact O-N 2.82Å; D547-E549 PolarHBondContact OD1-N 3.27Å; D547-D550 HydrophobicContact CB-CB 4.28Å; D547-D550 PolarHBondContact O-N 2.91Å
548	E	68.3	Low	86.3	Confident	137 Å²	137	37.4 Å²	37.4	64%	0.64	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.4	177.2	-67.3	-169.5	166.1	0	0	111.1	N463	N463-E548 PolarHBondContact ND2-OE1 3.24Å
549	E	65.6	Low	86.5	Confident	171 Å²	171	37.8 Å²	37.8	80%	0.799	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-41	176.5	-63.9	-171	176.3	0	0	112.5	D547 S551	D547-E549 PolarHBondContact O-N 2.82Å; D547-E549 PolarHBondContact OD1-N 3.27Å; E549-S551 VanDerWaalsContact C-N 3.33Å; E549-S551 PolarHBondContact O-N 2.05Å
550	D	66.2	Low	86	Confident	126 Å²	126	38 Å²	38	67%	0.674	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.4	-175.8	-98.6	-27.4	0	0	0	114.4	D547 K552	D547-D550 HydrophobicContact CB-CB 4.28Å; D547-D550 PolarHBondContact O-N 2.91Å; D550-K552 PolarHBondContact O-N 3.12Å
551	S	78.6	Confident	85.1	Confident	58 Å²	58	39.7 Å²	39.7	41%	0.406	20%	0.2	S	C	.	.			trans	51.5	11.4	169	-71	0	0	0	0	117.5	E549	E549-S551 VanDerWaalsContact C-N 3.33Å; E549-S551 PolarHBondContact O-N 2.05Å
552	K	90.4	Very high	83.5	Confident	68 Å²	68	41.3 Å²	41.3	30%	0.296	21%	0.213	S	C	.	.			trans	-100.3	137.4	-179.4	-75.5	-176.4	175.3	-175.3	0	111.6	E322 C324 E326 D550	E322-K552 PolarHBondContact O-NZ 3.06Å; C324-K552 WeakPolarHBondContact O-CD 3.21Å; E326-K552 HydrophobicContact CG-CG 4.19Å; E326-K552 WeakPolarHBondContact OE1-CE 3.12Å; E326-K552 IonicContact OE1-NZ 2.69Å; D550-K552 PolarHBondContact O-N 3.12Å
553	W	93.4	Very high	81.7	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.2	178.1	-67.8	84.6	0	0	0	112.2	G325 Q327 W348 W350 V447 C448 I465 V543 M545	G325-W553 VanDerWaalsContact CA-O 3.3Å; G325-W553 WeakPolarHBondContact CA-O 3.48Å; G325-W553 PolarHBondContact O-N 2.92Å; Q327-W553 VanDerWaalsContact CD-NE1 3.32Å; W348-W553 HydrophobicContact CH2-CD2 4.34Å; W348-W553 HydrophobicContact CH2-CE3 4.33Å; W348-W553 AromaticContact CH2-CH2 3.76Å; W348-W553 HydrophobicContact CH2-CH2 3.76Å; W348-W553 AromaticContact CH2-CZ2 3.74Å; W348-W553 HydrophobicContact CH2-CZ2 3.74Å; W348-W553 HydrophobicContact CH2-CZ3 4.05Å; W348-W553 AromaticContact CZ3-CD2 3.93Å; W348-W553 HydrophobicContact CZ3-CD2 3.93Å; W348-W553 AromaticContact CZ3-CE2 3.99Å; W348-W553 HydrophobicContact CZ3-CE3 4.04Å; W348-W553 HydrophobicContact CZ3-CH2 4.28Å; W348-W553 HydrophobicContact CZ3-CZ2 4.16Å; W348-W553 HydrophobicContact CZ3-CZ3 4.22Å; W350-W553 HydrophobicContact CH2-CB 3.4Å; W350-W553 VanDerWaalsContact CH2-CB 3.4Å; W350-W553 AromaticContact CH2-CD1 3.64Å; W350-W553 HydrophobicContact CH2-CD2 4.41Å; W350-W553 AromaticContact CH2-CG 3.52Å; W350-W553 HydrophobicContact CH2-CG 3.52Å; W350-W553 HydrophobicContact CZ2-CB 3.67Å; W350-W553 HydrophobicContact CZ2-CD2 4.47Å; W350-W553 AromaticContact CZ2-CG 3.9Å; W350-W553 HydrophobicContact CZ2-CG 3.9Å; W350-W553 HydrophobicContact CZ3-CB 4.23Å; V447-W553 VanDerWaalsContact CG2-O 3.31Å; V447-W553 WeakPolarHBondContact CG2-O 3.43Å; C448-W553 WeakPolarHBondContact CB-O 3.49Å; C448-W553 PolarHBondContact N-O 3.23Å; I465-W553 HydrophobicContact CB-CH2 4.46Å; I465-W553 HydrophobicContact CB-CZ3 4.17Å; I465-W553 HydrophobicContact CG1-CH2 3.6Å; I465-W553 HydrophobicContact CG1-CZ3 3.73Å; V543-W553 HydrophobicContact CB-CB 4.45Å; V543-W553 HydrophobicContact CB-CE3 3.93Å; V543-W553 HydrophobicContact CG2-CD2 4.33Å; V543-W553 HydrophobicContact CG2-CE3 3.53Å; V543-W553 HydrophobicContact CG2-CZ3 4.03Å; M545-W553 HydrophobicContact CE-CH2 3.96Å; M545-W553 HydrophobicContact CE-CZ2 3.79Å; M545-W553 HydrophobicContact CG-CD2 3.66Å; M545-W553 HydrophobicContact CG-CE3 3.92Å; M545-W553 HydrophobicContact CG-CG 4.2Å; M545-W553 HydrophobicContact CG-CH2 4.01Å; M545-W553 HydrophobicContact CG-CZ2 3.76Å; M545-W553 HydrophobicContact CG-CZ3 4.09Å; M545-W553 HydrophobicContact SD-CD2 4.46Å; M545-W553 HydrophobicContact SD-CH2 4.26Å; M545-W553 HydrophobicContact SD-CZ2 3.65Å
554	T	93.6	Very high	79.8	Confident	8 Å²	8	49 Å²	49	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.2	-177.9	-60.8	0	0	0	0	110.5	C448 P450 V543 C544 D546 Y556	C448-T554 WeakPolarHBondContact O-CA 3.34Å; P450-T554 HydrophobicContact CB-CG2 4.08Å; P450-T554 HydrophobicContact CG-CG2 3.78Å; V543-T554 CarbonylContact C-O 3.43Å; V543-T554 WeakPolarHBondContact CA-O 3.16Å; C544-T554 PolarHBondContact N-O 3.38Å; C544-T554 PolarHBondContact O-N 2.65Å; D546-T554 WeakPolarHBondContact OD2-CB 3.48Å; D546-T554 PolarHBondContact OD2-OG1 2.98Å; T554-Y556 HydrophobicContact CG2-CD2 4.29Å; T554-Y556 HydrophobicContact CG2-CE1 4.43Å; T554-Y556 HydrophobicContact CG2-CE2 3.73Å
555	I	95.4	Very high	78.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.5	176.5	-172.4	-179.4	0	0	0	111.8	T365 L373 V447 C448 L449 P450 P541 V543 G557 V558 V576	T365-I555 HydrophobicContact CG2-CD1 4.13Å; L373-I555 HydrophobicContact CD2-CD1 3.84Å; V447-I555 HydrophobicContact CG1-CB 3.85Å; V447-I555 HydrophobicContact CG1-CG2 3.68Å; V447-I555 HydrophobicContact CG2-CB 3.98Å; V447-I555 HydrophobicContact CG2-CG2 4.45Å; C448-I555 WeakPolarHBondContact O-CG2 3.15Å; C448-I555 PolarHBondContact O-N 2.82Å; L449-I555 HydrophobicContact CD2-CG2 3.94Å; P450-I555 WeakPolarHBondContact CD-O 3.31Å; P450-I555 WeakPolarHBondContact CG-O 3.45Å; P541-I555 HydrophobicContact CB-CD1 3.72Å; P541-I555 HydrophobicContact CB-CG1 3.89Å; V543-I555 HydrophobicContact CG1-CB 4.33Å; I555-G557 WeakPolarHBondContact CG1-O 3.28Å; I555-V558 HydrophobicContact CD1-CG2 4.39Å; I555-V576 HydrophobicContact CD1-CG2 4.34Å; I555-V576 HydrophobicContact CG1-CG2 4.27Å; I555-V576 HydrophobicContact CG2-CG1 4.3Å
556	Y	93.2	Very high	77.3	Confident	6 Å²	6	49.3 Å²	49.3	2%	0.024	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-29.5	178.6	-78.2	-72.4	0	0	0	114.2	P450 Y456 W461 I483 L542 C544 D546 T554 V576	P450-Y556 HydrophobicContact CB-CD1 4.36Å; P450-Y556 HydrophobicContact CB-CE1 3.83Å; P450-Y556 HydrophobicContact CG-CD1 3.91Å; P450-Y556 HydrophobicContact CG-CE1 3.85Å; Y456-Y556 HydrophobicContact CE2-CD1 4.27Å; Y456-Y556 HydrophobicContact CE2-CE1 4.34Å; W461-Y556 AromaticContact CH2-CD1 3.58Å; W461-Y556 HydrophobicContact CH2-CD1 3.58Å; W461-Y556 HydrophobicContact CH2-CD2 4.02Å; W461-Y556 AromaticContact CH2-CE1 3.29Å; W461-Y556 HydrophobicContact CH2-CE1 3.29Å; W461-Y556 AromaticContact CH2-CE2 3.74Å; W461-Y556 HydrophobicContact CH2-CE2 3.74Å; W461-Y556 AromaticContact CH2-CG 3.92Å; W461-Y556 HydrophobicContact CH2-CG 3.92Å; W461-Y556 AromaticContact CH2-CZ 3.34Å; W461-Y556 AromaticContact CZ2-CE1 3.99Å; W461-Y556 HydrophobicContact CZ2-CE1 3.99Å; W461-Y556 AromaticContact CZ2-CE2 3.96Å; W461-Y556 HydrophobicContact CZ2-CE2 3.96Å; W461-Y556 AromaticContact CZ2-CZ 3.6Å; W461-Y556 AromaticContact CZ3-CD1 3.89Å; W461-Y556 HydrophobicContact CZ3-CD1 3.89Å; W461-Y556 HydrophobicContact CZ3-CD2 4.08Å; W461-Y556 HydrophobicContact CZ3-CE1 4.08Å; W461-Y556 HydrophobicContact CZ3-CE2 4.23Å; W461-Y556 AromaticContact CZ3-CG 3.88Å; W461-Y556 HydrophobicContact CZ3-CG 3.88Å; I483-Y556 HydrophobicContact CD1-CG 4.47Å; L542-Y556 PolarHBondContact O-N 3.01Å; C544-Y556 HydrophobicContact CB-CD2 3.84Å; C544-Y556 HydrophobicContact CB-CE2 4.03Å; D546-Y556 VanDerWaalsContact CG-OH 3.26Å; D546-Y556 VanDerWaalsContact OD1-CE2 3.23Å; D546-Y556 WeakPolarHBondContact OD1-CE2 3.42Å; D546-Y556 VanDerWaalsContact OD1-CZ 3.24Å; D546-Y556 PolarHBondContact OD1-OH 2.79Å; D546-Y556 PolarHBondContact OD2-OH 3.43Å; T554-Y556 HydrophobicContact CG2-CD2 4.29Å; T554-Y556 HydrophobicContact CG2-CE1 4.43Å; T554-Y556 HydrophobicContact CG2-CE2 3.73Å; Y556-V576 WeakPolarHBondContact O-CB 3.47Å; Y556-V576 PolarHBondContact O-N 2.94Å
557	G	93.9	Very high	76.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	158	-179.5	0	0	0	0	0	112.9	L542 I555 T574	L542-G557 PolarHBondContact N-O 2.73Å; L542-G557 PolarHBondContact O-N 3.24Å; I555-G557 WeakPolarHBondContact CG1-O 3.28Å; G557-T574 WeakPolarHBondContact CA-O 3.31Å
558	V	94.7	Very high	76.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.6	166.2	178.8	0	0	0	0	107.5	L373 T374 I427 I555 P560 Q573 T574 V576	L373-V558 HydrophobicContact CD2-CG2 3.78Å; L373-V558 HydrophobicContact CG-CG2 3.98Å; T374-V558 VanDerWaalsContact C-CG1 3.44Å; I427-V558 HydrophobicContact CD1-CG2 4.29Å; I427-V558 HydrophobicContact CG1-CG2 4.18Å; I555-V558 HydrophobicContact CD1-CG2 4.39Å; V558-P560 WeakPolarHBondContact O-CD 3.34Å; V558-Q573 VanDerWaalsContact O-CB 3.26Å; V558-Q573 WeakPolarHBondContact O-CB 3.44Å; V558-T574 HydrophobicContact CB-CG2 3.8Å; V558-T574 HydrophobicContact CG2-CG2 4.05Å; V558-V576 HydrophobicContact CG2-CG2 3.86Å
559	V	89.9	Confident	76.3	Confident	13 Å²	13	46.8 Å²	46.8	8%	0.079	24%	0.244	C	C	.	.			trans	-72.5	119.1	-174.9	-177.6	0	0	0	0	109	T466 G539 G540 L542 F565 F571	T466-V559 VanDerWaalsContact OG1-CG2 3.31Å; T466-V559 WeakPolarHBondContact OG1-CG2 3.41Å; G539-V559 WeakPolarHBondContact CA-O 3.37Å; G539-V559 PolarHBondContact N-O 3.08Å; G540-V559 PolarHBondContact O-N 2.03Å; L542-V559 HydrophobicContact CB-CG2 4.29Å; V559-F565 HydrophobicContact CG1-CZ 3.86Å; V559-F571 HydrophobicContact CG1-CD2 4.28Å; V559-F571 HydrophobicContact CG1-CE2 4.28Å; V559-F571 HydrophobicContact CG2-CE2 3.88Å
560	P	80.5	Confident	77	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.019	21%	0.208	C	C	.	.			trans	-78.6	-174.1	-177.3	37.2	-40.1	0	0	0	111.2	N426 V558 H564 Q572	N426-P560 WeakPolarHBondContact ND2-CB 3.48Å; V558-P560 WeakPolarHBondContact O-CD 3.34Å; P560-H564 HydrophobicContact CG-CB 3.85Å; P560-Q572 VanDerWaalsContact CD-O 3.29Å; P560-Q572 WeakPolarHBondContact CD-O 3.42Å; P560-Q572 WeakPolarHBondContact CG-O 3.11Å
561	R	74.2	Confident	77.8	Confident	39 Å²	39	32.9 Å²	32.9	15%	0.147	18%	0.176	C	C	.	.			trans	-64.9	161.3	173.7	-66.8	-176.8	-60.8	152.7	9	111.8	D377 Q563 H564	D377-R561 WeakPolarHBondContact OD2-CG 3.41Å; D377-R561 IonicContact OD2-CZ 4Å; D377-R561 IonicContact OD2-NE 3Å; D377-R561 PolarHBondContact OD2-NE 3.47Å; D377-R561 IonicContact OD2-NH2 3.89Å; R561-Q563 PolarHBondContact O-N 3.07Å; R561-H564 PolarHBondContact O-CD2 2.84Å; R561-H564 PolarHBondContact O-N 2.95Å
562	A	62.5	Low	78.2	Confident	33 Å²	33	31.4 Å²	31.4	27%	0.273	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-52.7	-12.3	-177.2	0	0	0	0	0	116.7	Q535 H564 F565	Q535-A562 HydrophobicContact CB-CB 4.28Å; Q535-A562 HydrophobicContact CG-CB 3.79Å; A562-H564 PolarHBondContact O-N 2.7Å; A562-F565 VanDerWaalsContact CA-CE2 3.47Å; A562-F565 HydrophobicContact CB-CD2 4.42Å; A562-F565 WeakPolarHBondContact O-CD2 3.04Å
563	Q	55.1	Low	78.2	Confident	135 Å²	135	28.2 Å²	28.2	63%	0.631	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-66.3	-15.4	179.6	-58.9	-179.4	-3.9	0	0	113.2	R561	R561-Q563 PolarHBondContact O-N 3.07Å
564	H	54.9	Low	78.2	Confident	26 Å²	26	28 Å²	28	12%	0.12	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-106.7	22.6	-175.1	-55.9	-72.6	0	0	0	114.4	V423 Y495 P560 R561 A562 F571 Q572	V423-H564 HydrophobicContact CG2-CB 4.31Å; V423-H564 WeakPolarHBondContact CG2-ND1 3.41Å; Y495-H564 PolarHBondContact OH-O 2.88Å; P560-H564 HydrophobicContact CG-CB 3.85Å; R561-H564 PolarHBondContact O-CD2 2.84Å; R561-H564 PolarHBondContact O-N 2.95Å; A562-H564 PolarHBondContact O-N 2.7Å; H564-F571 WeakPolarHBondContact O-CA 3.09Å; H564-Q572 PolarHBondContact O-N 3.08Å
565	F	64.2	Low	78.1	Confident	49 Å²	49	28.8 Å²	28.8	22%	0.215	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-106.6	133.7	-177.8	-67.1	-107	0	0	0	110.3	F508 V559 A562 V570 F571	F508-F565 AromaticContact CE2-CD1 3.96Å; F508-F565 HydrophobicContact CE2-CD1 3.96Å; F508-F565 AromaticContact CE2-CE1 3.61Å; F508-F565 HydrophobicContact CE2-CE1 3.61Å; F508-F565 AromaticContact CZ-CE1 3.97Å; F508-F565 HydrophobicContact CZ-CE1 3.97Å; V559-F565 HydrophobicContact CG1-CZ 3.86Å; A562-F565 VanDerWaalsContact CA-CE2 3.47Å; A562-F565 HydrophobicContact CB-CD2 4.42Å; A562-F565 WeakPolarHBondContact O-CD2 3.04Å; F565-V570 WeakPolarHBondContact CA-O 3.45Å; F565-F571 HydrophobicContact CD1-CB 3.58Å; F565-F571 HydrophobicContact CD1-CD1 4.18Å; F565-F571 HydrophobicContact CD1-CG 4.16Å; F565-F571 HydrophobicContact CD2-CB 4.37Å; F565-F571 HydrophobicContact CE1-CB 3.59Å; F565-F571 AromaticContact CE1-CD1 3.85Å; F565-F571 HydrophobicContact CE1-CD1 3.85Å; F565-F571 AromaticContact CE1-CG 3.76Å; F565-F571 HydrophobicContact CE1-CG 3.76Å; F565-F571 HydrophobicContact CE2-CB 4.41Å; F565-F571 HydrophobicContact CG-CB 3.99Å; F565-F571 HydrophobicContact CZ-CB 4.06Å; F565-F571 HydrophobicContact CZ-CG 4.3Å
566	T	59.8	Low	78.1	Confident	14 Å²	14	28.8 Å²	28.8	9%	0.086	15%	0.15	C	C	.	.			trans	-81.9	164	172.5	66.2	0	0	0	0	111.7	I492 E494 Y495 S568 G569 V570	I492-T566 HydrophobicContact CG2-CG2 3.82Å; E494-T566 HydrophobicContact CB-CG2 3.96Å; E494-T566 HydrophobicContact CG-CG2 4.4Å; Y495-T566 HydrophobicContact CD1-CG2 4.37Å; Y495-T566 HydrophobicContact CE1-CG2 3.59Å; Y495-T566 HydrophobicContact CE2-CG2 3.98Å; Y495-T566 WeakPolarHBondContact OH-CG2 3.44Å; T566-S568 PolarHBondContact O-N 3.24Å; T566-S568 PolarHBondContact OG1-N 3.24Å; T566-S568 PolarHBondContact OG1-OG 2.9Å; T566-G569 PolarHBondContact O-N 3.07Å; T566-G569 VanDerWaalsContact O-N 3.16Å; T566-V570 HydrophobicContact CG2-CB 4.38Å; T566-V570 PolarHBondContact N-O 3.01Å; T566-V570 WeakPolarHBondContact OG1-CB 3.39Å; T566-V570 PolarHBondContact OG1-N 2.93Å; T566-V570 PolarHBondContact OG1-O 3.22Å
567	H	61.3	Low	77.9	Confident	152 Å²	152	31.1 Å²	31.1	70%	0.704	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.2	171	-64.2	-56.5	0	0	0	113.1	G569	H567-G569 VanDerWaalsContact C-N 3.3Å
568	S	63.7	Low	77.8	Confident	61 Å²	61	37 Å²	37	43%	0.427	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.7	177.6	55.6	0	0	0	0	114.3	T566 V570	T566-S568 PolarHBondContact O-N 3.24Å; T566-S568 PolarHBondContact OG1-N 3.24Å; T566-S568 PolarHBondContact OG1-OG 2.9Å; S568-V570 VanDerWaalsContact C-N 3.3Å
569	G	71.2	Confident	77.8	Confident	16 Å²	16	37.2 Å²	37.2	17%	0.165	19%	0.185	C	C	.	.	S	Bend	trans	75.3	19.4	179.8	0	0	0	0	0	113.7	F508 T566 H567	F508-G569 WeakPolarHBondContact CD2-O 3.49Å; F508-G569 PolarHBondContact N-O 3.25Å; T566-G569 PolarHBondContact O-N 3.07Å; T566-G569 VanDerWaalsContact O-N 3.16Å; H567-G569 VanDerWaalsContact C-N 3.3Å
570	V	80.2	Confident	78	Confident	5 Å²	5	37 Å²	37	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.1	171.5	-172	0	0	0	0	108.9	L484 I492 Y495 C505 A506 K507 F565 T566 S568	L484-V570 HydrophobicContact CD1-CG1 3.75Å; L484-V570 HydrophobicContact CD1-CG2 4.18Å; I492-V570 HydrophobicContact CD1-CB 3.96Å; I492-V570 HydrophobicContact CD1-CG1 3.51Å; I492-V570 HydrophobicContact CD1-CG2 3.96Å; Y495-V570 HydrophobicContact CE2-CG1 4.14Å; Y495-V570 PolarHBondContact OH-O 2.88Å; C505-V570 HydrophobicContact CB-CG1 4.16Å; A506-V570 CarbonylContact O-C 3.59Å; A506-V570 WeakPolarHBondContact O-CA 3.49Å; A506-V570 WeakPolarHBondContact O-CG1 3.36Å; K507-V570 HydrophobicContact CB-CG2 4.04Å; K507-V570 HydrophobicContact CD-CG2 4.22Å; K507-V570 HydrophobicContact CG-CG2 3.9Å; F565-V570 WeakPolarHBondContact CA-O 3.45Å; T566-V570 HydrophobicContact CG2-CB 4.38Å; T566-V570 PolarHBondContact N-O 3.01Å; T566-V570 WeakPolarHBondContact OG1-CB 3.39Å; T566-V570 PolarHBondContact OG1-N 2.93Å; T566-V570 PolarHBondContact OG1-O 3.22Å; S568-V570 VanDerWaalsContact C-N 3.3Å
571	F	83.8	Confident	78.6	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.8	174.2	56.2	-84.2	0	0	0	111.3	A481 Y495 C505 A506 F508 V559 H564 F565	A481-F571 HydrophobicContact CB-CE1 4.28Å; A481-F571 HydrophobicContact CB-CZ 4.19Å; Y495-F571 WeakPolarHBondContact OH-CA 3.12Å; C505-F571 VanDerWaalsContact CA-O 3.31Å; C505-F571 WeakPolarHBondContact CA-O 3.48Å; A506-F571 HydrophobicContact CB-CE1 3.95Å; A506-F571 HydrophobicContact CB-CE2 3.87Å; A506-F571 HydrophobicContact CB-CZ 3.53Å; A506-F571 PolarHBondContact N-O 3.25Å; A506-F571 WeakPolarHBondContact O-CD1 3.11Å; A506-F571 WeakPolarHBondContact O-CE1 3.41Å; A506-F571 PolarHBondContact O-N 2.8Å; F508-F571 HydrophobicContact CD1-CE1 4.15Å; F508-F571 HydrophobicContact CD2-CD1 4.07Å; F508-F571 AromaticContact CD2-CE1 3.98Å; F508-F571 HydrophobicContact CD2-CE1 3.98Å; F508-F571 AromaticContact CE1-CE1 3.78Å; F508-F571 HydrophobicContact CE1-CE1 3.78Å; F508-F571 HydrophobicContact CE1-CZ 4.33Å; F508-F571 AromaticContact CE2-CD1 3.63Å; F508-F571 HydrophobicContact CE2-CD1 3.63Å; F508-F571 AromaticContact CE2-CE1 3.63Å; F508-F571 HydrophobicContact CE2-CE1 3.63Å; F508-F571 HydrophobicContact CG-CE1 4.25Å; F508-F571 AromaticContact CZ-CD1 3.91Å; F508-F571 HydrophobicContact CZ-CD1 3.91Å; F508-F571 AromaticContact CZ-CE1 3.51Å; F508-F571 HydrophobicContact CZ-CE1 3.51Å; F508-F571 HydrophobicContact CZ-CZ 4.2Å; V559-F571 HydrophobicContact CG1-CD2 4.28Å; V559-F571 HydrophobicContact CG1-CE2 4.28Å; V559-F571 HydrophobicContact CG2-CE2 3.88Å; H564-F571 WeakPolarHBondContact O-CA 3.09Å; F565-F571 HydrophobicContact CD1-CB 3.58Å; F565-F571 HydrophobicContact CD1-CD1 4.18Å; F565-F571 HydrophobicContact CD1-CG 4.16Å; F565-F571 HydrophobicContact CD2-CB 4.37Å; F565-F571 HydrophobicContact CE1-CB 3.59Å; F565-F571 AromaticContact CE1-CD1 3.85Å; F565-F571 HydrophobicContact CE1-CD1 3.85Å; F565-F571 AromaticContact CE1-CG 3.76Å; F565-F571 HydrophobicContact CE1-CG 3.76Å; F565-F571 HydrophobicContact CE2-CB 4.41Å; F565-F571 HydrophobicContact CG-CB 3.99Å; F565-F571 HydrophobicContact CZ-CB 4.06Å; F565-F571 HydrophobicContact CZ-CG 4.3Å
572	Q	87.3	Confident	79.5	Confident	26 Å²	26	39.1 Å²	39.1	12%	0.121	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	147.2	171	-71.2	178.6	-16	0	0	110.3	V423 Y495 V503 P560 H564	V423-Q572 HydrophobicContact CB-CB 4.31Å; V423-Q572 HydrophobicContact CG1-CB 3.85Å; V423-Q572 HydrophobicContact CG2-CB 4.03Å; Y495-Q572 HydrophobicContact CD1-CG 4.23Å; Y495-Q572 HydrophobicContact CD2-CG 4.02Å; Y495-Q572 VanDerWaalsContact CD2-NE2 3.31Å; Y495-Q572 HydrophobicContact CE1-CG 3.81Å; Y495-Q572 HydrophobicContact CE2-CG 3.6Å; Y495-Q572 HydrophobicContact CG-CG 4.34Å; Y495-Q572 VanDerWaalsContact CZ-CG 3.49Å; Y495-Q572 PolarHBondContact OH-N 3.26Å; V503-Q572 HydrophobicContact CG1-CB 3.88Å; V503-Q572 HydrophobicContact CG1-CG 4.07Å; P560-Q572 VanDerWaalsContact CD-O 3.29Å; P560-Q572 WeakPolarHBondContact CD-O 3.42Å; P560-Q572 WeakPolarHBondContact CG-O 3.11Å; H564-Q572 PolarHBondContact O-N 3.08Å
573	Q	90	Very high	81.1	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.6	177.1	56.6	-171.8	-27.2	0	0	111.5	V503 M504 V558	V503-Q573 WeakPolarHBondContact CA-O 3.38Å; M504-Q573 HydrophobicContact CE-CG 4.17Å; M504-Q573 HydrophobicContact CG-CG 3.59Å; M504-Q573 PolarHBondContact N-O 2.83Å; M504-Q573 WeakPolarHBondContact O-CG 3.33Å; M504-Q573 PolarHBondContact O-N 2.78Å; V558-Q573 VanDerWaalsContact O-CB 3.26Å; V558-Q573 WeakPolarHBondContact O-CB 3.44Å
574	T	92	Very high	83	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.1	173.5	-157.2	0	0	0	0	110.5	N426 I427 G557 V558 V576	N426-T574 WeakPolarHBondContact O-CG2 3.32Å; I427-T574 HydrophobicContact CB-CG2 3.85Å; I427-T574 HydrophobicContact CD1-CG2 4.12Å; I427-T574 HydrophobicContact CG1-CG2 4.2Å; G557-T574 WeakPolarHBondContact CA-O 3.31Å; V558-T574 HydrophobicContact CB-CG2 3.8Å; V558-T574 HydrophobicContact CG2-CG2 4.05Å; T574-V576 PolarHBondContact O-N 2.03Å
575	R	92.5	Very high	84.8	Confident	25 Å²	25	32.2 Å²	32.2	9%	0.094	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	101.7	176.2	-170.9	-177.3	-63.7	-86.7	6.5	109.7	Y456 V501 N502 V503 M504 R577 K578	Y456-R575 PolarHBondContact OH-NH1 3.32Å; V501-R575 PolarHBondContact O-NE 2.73Å; N502-R575 WeakPolarHBondContact O-CB 3.3Å; N502-R575 PolarHBondContact O-N 3.26Å; V503-R575 PolarHBondContact O-NH2 3.33Å; M504-R575 HydrophobicContact CB-CB 4.26Å; M504-R575 HydrophobicContact CB-CG 4.41Å; M504-R575 VanDerWaalsContact CB-CZ 3.45Å; M504-R575 HydrophobicContact CG-CB 4.25Å; M504-R575 HydrophobicContact SD-CB 4.23Å; M504-R575 HydrophobicContact SD-CG 4.02Å; R575-R577 VanDerWaalsContact C-N 3.26Å; R575-R577 PolarHBondContact O-N 3.07Å; R575-K578 HydrophobicContact CB-CG 4.38Å; R575-K578 HydrophobicContact CG-CG 4.18Å; R575-K578 PolarHBondContact O-N 2.97Å
576	V	94.7	Very high	86.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-54.7	-40.4	-174.2	174.1	0	0	0	0	112.3	L373 I427 L449 I555 Y556 V558 T574 K578 K579 L580 I583	L373-V576 HydrophobicContact CD2-CG1 4.1Å; L373-V576 HydrophobicContact CD2-CG2 4Å; I427-V576 HydrophobicContact CD1-CG2 4.34Å; L449-V576 HydrophobicContact CD2-CG1 4.5Å; I555-V576 HydrophobicContact CD1-CG2 4.34Å; I555-V576 HydrophobicContact CG1-CG2 4.27Å; I555-V576 HydrophobicContact CG2-CG1 4.3Å; Y556-V576 WeakPolarHBondContact O-CB 3.47Å; Y556-V576 PolarHBondContact O-N 2.94Å; V558-V576 HydrophobicContact CG2-CG2 3.86Å; T574-V576 PolarHBondContact O-N 2.03Å; V576-K578 PolarHBondContact O-N 2.62Å; V576-K579 CarbonylContact O-C 3.57Å; V576-K579 WeakPolarHBondContact O-CA 3.37Å; V576-K579 WeakPolarHBondContact O-CB 3.49Å; V576-K579 PolarHBondContact O-N 3.49Å; V576-L580 PolarHBondContact O-N 3.28Å; V576-I583 HydrophobicContact CG1-CD1 3.76Å
577	R	90.4	Very high	87.7	Confident	56 Å²	56	29.6 Å²	29.6	21%	0.211	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-56.6	-36.2	178.2	-175.7	172.8	170.8	-173.2	2.1	113.6	P450 E451 P452 F454 R575 K579 L580	P450-R577 HydrophobicContact CB-CB 4.07Å; P450-R577 HydrophobicContact CB-CG 4.23Å; P450-R577 HydrophobicContact CG-CB 4.26Å; E451-R577 PolarHBondContact O-NE 2.97Å; P452-R577 PolarHBondContact O-NE 3.39Å; P452-R577 PolarHBondContact O-NH2 2.98Å; F454-R577 PolarHBondContact O-NH1 2.71Å; F454-R577 PolarHBondContact O-NH2 2.98Å; R575-R577 VanDerWaalsContact C-N 3.26Å; R575-R577 PolarHBondContact O-N 3.07Å; R577-K579 PolarHBondContact O-N 2.85Å; R577-L580 HydrophobicContact CG-CD1 4.02Å; R577-L580 WeakPolarHBondContact O-CG 3.26Å; R577-L580 PolarHBondContact O-N 3.22Å
578	K	91.7	Very high	89.1	Confident	124 Å²	124	22.4 Å²	22.4	54%	0.539	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-75.2	-7.3	177.1	-67.9	-69.8	-174.1	-179.9	0	112.6	R575 V576	R575-K578 HydrophobicContact CB-CG 4.38Å; R575-K578 HydrophobicContact CG-CG 4.18Å; R575-K578 PolarHBondContact O-N 2.97Å; V576-K578 PolarHBondContact O-N 2.62Å
579	K	93.7	Very high	90.2	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.013	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-113.6	8.2	-179.6	-44.4	-55.8	173.5	-165.4	0	112.5	D424 Y425 I427 N502 V576 R577 Q581 F582 I583	D424-K579 IonicContact OD1-NZ 3.78Å; Y425-K579 HydrophobicContact CD1-CD 4Å; Y425-K579 HydrophobicContact CE1-CD 4.42Å; I427-K579 HydrophobicContact CD1-CB 4.07Å; I427-K579 HydrophobicContact CD1-CG 4.25Å; I427-K579 HydrophobicContact CG2-CB 4.47Å; I427-K579 HydrophobicContact CG2-CG 4.2Å; N502-K579 VanDerWaalsContact CB-NZ 3.28Å; N502-K579 PolarHBondContact OD1-NZ 2.82Å; V576-K579 CarbonylContact O-C 3.57Å; V576-K579 WeakPolarHBondContact O-CA 3.37Å; V576-K579 WeakPolarHBondContact O-CB 3.49Å; V576-K579 PolarHBondContact O-N 3.49Å; R577-K579 PolarHBondContact O-N 2.85Å; K579-Q581 VanDerWaalsContact C-N 3.31Å; K579-Q581 PolarHBondContact O-N 3.41Å; K579-F582 WeakPolarHBondContact O-CB 3.39Å; K579-F582 PolarHBondContact O-N 3.07Å; K579-F582 VanDerWaalsContact O-N 3.08Å; K579-I583 WeakPolarHBondContact O-CG1 3.48Å; K579-I583 PolarHBondContact O-N 3.22Å
580	L	94.2	Very high	90.9	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.047	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-42.3	178.4	-71.1	172.7	0	0	0	112.6	L449 P450 P452 V576 R577 F582 I583 W584	L449-L580 HydrophobicContact CB-CD2 4.09Å; L449-L580 HydrophobicContact CD1-CD2 4.44Å; P450-L580 WeakPolarHBondContact O-CD1 3.2Å; P452-L580 HydrophobicContact CB-CD1 4.45Å; P452-L580 HydrophobicContact CG-CD1 4.14Å; V576-L580 PolarHBondContact O-N 3.28Å; R577-L580 HydrophobicContact CG-CD1 4.02Å; R577-L580 WeakPolarHBondContact O-CG 3.26Å; R577-L580 PolarHBondContact O-N 3.22Å; L580-F582 VanDerWaalsContact C-N 3.3Å; L580-F582 PolarHBondContact O-N 2.87Å; L580-I583 PolarHBondContact O-N 2.65Å; L580-W584 WeakPolarHBondContact O-CB 3.09Å; L580-W584 VanDerWaalsContact O-CD1 3.26Å; L580-W584 PolarHBondContact O-N 2.87Å
581	Q	93.3	Very high	91.2	Very high	65 Å²	65	25.2 Å²	25.2	30%	0.304	11%	0.113	S	C	.	.	H	α-helix	trans	-57.4	-45.4	176.1	-174.3	-178.6	38.5	0	0	111.2	K282 E285 V286 K579 Q585	K282-Q581 PolarHBondContact O-NE2 3.03Å; E285-Q581 WeakPolarHBondContact O-CG 3.31Å; E285-Q581 PolarHBondContact O-NE2 2.94Å; V286-Q581 HydrophobicContact CG1-CG 4.27Å; K579-Q581 VanDerWaalsContact C-N 3.31Å; K579-Q581 PolarHBondContact O-N 3.41Å; Q581-Q585 WeakPolarHBondContact O-CB 3.37Å; Q581-Q585 PolarHBondContact O-N 2.67Å
582	F	93.3	Very high	90.8	Very high	22 Å²	22	25.7 Å²	25.7	10%	0.096	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-50.2	175.3	164.8	-103.7	0	0	0	111	I413 H415 I427 M429 K579 L580 W584 Q585 M586	I413-F582 HydrophobicContact CG2-CE2 4.23Å; I413-F582 HydrophobicContact CG2-CZ 4.14Å; H415-F582 HydrophobicContact CB-CE1 4.3Å; H415-F582 HydrophobicContact CB-CZ 4.2Å; H415-F582 AromaticContact CD2-CD1 3.63Å; H415-F582 AromaticContact CD2-CD2 3.81Å; H415-F582 AromaticContact CD2-CG 3.49Å; H415-F582 VanDerWaalsContact CD2-CG 3.49Å; H415-F582 WeakPolarHBondContact CD2-CG 3.03Å; I427-F582 HydrophobicContact CG2-CD1 4.36Å; I427-F582 HydrophobicContact CG2-CE1 4.2Å; M429-F582 HydrophobicContact CG-CE1 3.95Å; M429-F582 HydrophobicContact CG-CZ 4.4Å; M429-F582 HydrophobicContact SD-CD1 4.46Å; M429-F582 HydrophobicContact SD-CE1 4.02Å; M429-F582 HydrophobicContact SD-CZ 4.41Å; K579-F582 WeakPolarHBondContact O-CB 3.39Å; K579-F582 PolarHBondContact O-N 3.07Å; K579-F582 VanDerWaalsContact O-N 3.08Å; L580-F582 VanDerWaalsContact C-N 3.3Å; L580-F582 PolarHBondContact O-N 2.87Å; F582-W584 PolarHBondContact O-N 3.05Å; F582-Q585 PolarHBondContact O-N 3.13Å; F582-M586 HydrophobicContact CD2-CG 3.91Å; F582-M586 HydrophobicContact CD2-SD 4.36Å; F582-M586 HydrophobicContact CE2-CG 3.58Å; F582-M586 HydrophobicContact CE2-SD 3.9Å; F582-M586 HydrophobicContact CZ-CG 3.97Å; F582-M586 VanDerWaalsContact O-CG 3.31Å; F582-M586 WeakPolarHBondContact O-CG 3.15Å; F582-M586 PolarHBondContact O-N 3.19Å
583	I	95.5	Very high	89.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.1	-52.1	-178.2	-67.9	165.3	0	0	0	111.5	I367 L373 I427 M429 L449 V576 K579 L580 M586 M587	I367-I583 HydrophobicContact CD1-CG2 3.84Å; L373-I583 HydrophobicContact CD1-CD1 4.12Å; L373-I583 HydrophobicContact CD1-CG1 4.14Å; L373-I583 HydrophobicContact CD2-CD1 4.2Å; I427-I583 HydrophobicContact CD1-CD1 4.18Å; M429-I583 HydrophobicContact CE-CG2 4.06Å; M429-I583 WeakPolarHBondContact CE-O 3.45Å; M429-I583 HydrophobicContact SD-CB 4.31Å; M429-I583 HydrophobicContact SD-CG1 4.3Å; M429-I583 HydrophobicContact SD-CG2 4.42Å; L449-I583 HydrophobicContact CD1-CG2 3.88Å; V576-I583 HydrophobicContact CG1-CD1 3.76Å; K579-I583 WeakPolarHBondContact O-CG1 3.48Å; K579-I583 PolarHBondContact O-N 3.22Å; L580-I583 PolarHBondContact O-N 2.65Å; I583-M586 PolarHBondContact O-N 2.89Å; I583-M587 HydrophobicContact CG2-CE 4.01Å; I583-M587 WeakPolarHBondContact O-CG 3.29Å; I583-M587 PolarHBondContact O-N 3.36Å
584	W	94.5	Very high	88.1	Confident	19 Å²	19	33 Å²	33	7%	0.072	16%	0.159	C	C	.	.	H	α-helix	trans	-67.9	-37.3	179.6	-78.5	97.9	0	0	0	113.1	V286 V297 L300 L315 I317 L580 F582 M587 L588	V286-W584 HydrophobicContact CG1-CB 3.86Å; V297-W584 HydrophobicContact CG1-CB 4.5Å; V297-W584 HydrophobicContact CG1-CD2 3.93Å; V297-W584 HydrophobicContact CG1-CG 3.71Å; V297-W584 HydrophobicContact CG1-CZ2 4.48Å; V297-W584 HydrophobicContact CG2-CB 4.31Å; V297-W584 HydrophobicContact CG2-CG 4.35Å; L300-W584 HydrophobicContact CB-CE3 4.39Å; L300-W584 HydrophobicContact CB-CZ3 4.01Å; L300-W584 HydrophobicContact CD1-CB 4.41Å; L300-W584 HydrophobicContact CD1-CD2 3.92Å; L300-W584 HydrophobicContact CD1-CE3 3.35Å; L300-W584 HydrophobicContact CD1-CG 4.4Å; L300-W584 HydrophobicContact CD1-CZ3 3.84Å; L315-W584 HydrophobicContact CD1-CE3 4.04Å; L315-W584 HydrophobicContact CD1-CZ3 3.86Å; I317-W584 HydrophobicContact CD1-CH2 4.22Å; I317-W584 HydrophobicContact CD1-CZ2 4.18Å; I317-W584 HydrophobicContact CG2-CE3 4.48Å; I317-W584 HydrophobicContact CG2-CH2 3.7Å; I317-W584 HydrophobicContact CG2-CZ3 3.6Å; L580-W584 WeakPolarHBondContact O-CB 3.09Å; L580-W584 VanDerWaalsContact O-CD1 3.26Å; L580-W584 PolarHBondContact O-N 2.87Å; F582-W584 PolarHBondContact O-N 3.05Å; W584-M587 HydrophobicContact CD2-CE 3.67Å; W584-M587 HydrophobicContact CE3-CE 3.62Å; W584-M587 HydrophobicContact CG-CE 4.08Å; W584-M587 HydrophobicContact CZ3-CE 4.13Å; W584-M587 PolarHBondContact O-N 2.51Å; W584-L588 PolarHBondContact O-N 3.34Å
585	Q	92.7	Very high	85.7	Confident	30 Å²	30	38.6 Å²	38.6	14%	0.14	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-43	177.2	-171.6	66.2	58.7	0	0	111.3	V286 K287 Q581 F582 L588 D589	V286-Q585 HydrophobicContact CG1-CB 4.29Å; K287-Q585 PolarHBondContact O-NE2 3.3Å; Q581-Q585 WeakPolarHBondContact O-CB 3.37Å; Q581-Q585 PolarHBondContact O-N 2.67Å; F582-Q585 PolarHBondContact O-N 3.13Å; Q585-L588 PolarHBondContact O-N 3.06Å; Q585-D589 PolarHBondContact NE2-OD1 3.01Å; Q585-D589 PolarHBondContact NE2-OD2 3.37Å; Q585-D589 WeakPolarHBondContact O-CB 3.27Å; Q585-D589 PolarHBondContact O-N 3.16Å
586	M	91.5	Very high	82.6	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.039	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-40.7	178.4	-62.5	-57.9	84.5	0	0	112	I413 M429 F582 I583 L588 D589 F590	I413-M586 HydrophobicContact CD1-CB 4.27Å; I413-M586 HydrophobicContact CD1-CG 4.35Å; I413-M586 HydrophobicContact CD1-SD 4.16Å; I413-M586 HydrophobicContact CG2-CG 4.28Å; I413-M586 HydrophobicContact CG2-SD 3.78Å; M429-M586 HydrophobicContact CE-CB 4.18Å; M429-M586 HydrophobicContact SD-CB 3.56Å; M429-M586 VanDerWaalsContact SD-CB 3.56Å; M429-M586 HydrophobicContact SD-CG 3.86Å; F582-M586 HydrophobicContact CD2-CG 3.91Å; F582-M586 HydrophobicContact CD2-SD 4.36Å; F582-M586 HydrophobicContact CE2-CG 3.58Å; F582-M586 HydrophobicContact CE2-SD 3.9Å; F582-M586 HydrophobicContact CZ-CG 3.97Å; F582-M586 VanDerWaalsContact O-CG 3.31Å; F582-M586 WeakPolarHBondContact O-CG 3.15Å; F582-M586 PolarHBondContact O-N 3.19Å; I583-M586 PolarHBondContact O-N 2.89Å; M586-L588 VanDerWaalsContact C-N 3.32Å; M586-L588 PolarHBondContact O-N 2.79Å; M586-D589 WeakPolarHBondContact CE-OD2 3.47Å; M586-D589 PolarHBondContact O-N 2.85Å; M586-F590 HydrophobicContact CB-CD2 4.46Å; M586-F590 WeakPolarHBondContact O-CB 3.38Å; M586-F590 WeakPolarHBondContact O-CD2 3.15Å; M586-F590 PolarHBondContact O-N 3.14Å; M586-F590 VanDerWaalsContact O-N 3.08Å; M586-F590 HydrophobicContact SD-CD2 4.48Å; M586-F590 HydrophobicContact SD-CE2 3.93Å
587	M	93.4	Very high	79.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-43.9	174.2	-65.5	-171.9	-69.8	0	0	111.5	L315 I317 W371 M429 I583 W584 E591	L315-M587 HydrophobicContact CD2-CB 4.28Å; L315-M587 WeakPolarHBondContact CD2-O 3.25Å; I317-M587 HydrophobicContact CB-CE 4.48Å; I317-M587 HydrophobicContact CB-SD 4.03Å; I317-M587 HydrophobicContact CD1-CE 3.82Å; I317-M587 HydrophobicContact CD1-SD 4.07Å; I317-M587 HydrophobicContact CG2-CE 4.05Å; I317-M587 HydrophobicContact CG2-SD 4.02Å; W371-M587 HydrophobicContact CD2-CG 4.28Å; W371-M587 HydrophobicContact CG-CG 4.02Å; W371-M587 HydrophobicContact CG-SD 4.44Å; M429-M587 HydrophobicContact CE-CG 3.87Å; I583-M587 HydrophobicContact CG2-CE 4.01Å; I583-M587 WeakPolarHBondContact O-CG 3.29Å; I583-M587 PolarHBondContact O-N 3.36Å; W584-M587 HydrophobicContact CD2-CE 3.67Å; W584-M587 HydrophobicContact CE3-CE 3.62Å; W584-M587 HydrophobicContact CG-CE 4.08Å; W584-M587 HydrophobicContact CZ3-CE 4.13Å; W584-M587 PolarHBondContact O-N 2.51Å; M587-E591 VanDerWaalsContact O-CB 3.26Å; M587-E591 WeakPolarHBondContact O-CB 3.43Å; M587-E591 PolarHBondContact O-N 3.35Å
588	L	91.1	Very high	79	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-47.8	175.8	-81	167.6	0	0	0	113	V286 P289 L300 L315 W584 Q585 M586 F590 A592	V286-L588 HydrophobicContact CB-CD1 3.93Å; V286-L588 HydrophobicContact CG2-CD1 3.41Å; V286-L588 VanDerWaalsContact CG2-CD1 3.41Å; P289-L588 HydrophobicContact CG-CB 4.16Å; P289-L588 HydrophobicContact CG-CD2 4.45Å; P289-L588 VanDerWaalsContact CG-O 3.29Å; P289-L588 WeakPolarHBondContact CG-O 3.17Å; L300-L588 HydrophobicContact CD1-CD1 4.22Å; L300-L588 HydrophobicContact CD2-CD1 4.3Å; L315-L588 HydrophobicContact CD1-CD2 4Å; L315-L588 HydrophobicContact CD1-CG 4.13Å; L315-L588 HydrophobicContact CD2-CD2 4.08Å; L315-L588 HydrophobicContact CD2-CG 4.35Å; L315-L588 HydrophobicContact CG-CD2 4.38Å; W584-L588 PolarHBondContact O-N 3.34Å; Q585-L588 PolarHBondContact O-N 3.06Å; M586-L588 VanDerWaalsContact C-N 3.32Å; M586-L588 PolarHBondContact O-N 2.79Å; L588-F590 VanDerWaalsContact C-N 3.31Å; L588-F590 PolarHBondContact O-N 3.39Å; L588-A592 VanDerWaalsContact O-CB 3.29Å; L588-A592 WeakPolarHBondContact O-CB 3.32Å; L588-A592 PolarHBondContact O-N 3.44Å
589	D	86.5	Confident	78.3	Confident	60 Å²	60	54.2 Å²	54.2	32%	0.321	27%	0.273	S	S	.	.	H	α-helix	trans	-67.2	-32.4	-173.7	-71.7	-13.7	0	0	0	112.4	Q585 M586 V593	Q585-D589 PolarHBondContact NE2-OD1 3.01Å; Q585-D589 PolarHBondContact NE2-OD2 3.37Å; Q585-D589 WeakPolarHBondContact O-CB 3.27Å; Q585-D589 PolarHBondContact O-N 3.16Å; M586-D589 WeakPolarHBondContact CE-OD2 3.47Å; M586-D589 PolarHBondContact O-N 2.85Å; D589-V593 VanDerWaalsContact O-CG2 3.29Å; D589-V593 WeakPolarHBondContact O-CG2 3.38Å
590	F	86.1	Confident	77.4	Confident	63 Å²	63	57 Å²	57	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-109.1	-25.1	-171.6	-69.9	-79.5	0	0	0	115.1	W371 I413 M431 M586 L588	W371-F590 HydrophobicContact CH2-CB 4Å; W371-F590 HydrophobicContact CH2-CD2 4.33Å; W371-F590 HydrophobicContact CH2-CG 4.38Å; W371-F590 HydrophobicContact CZ2-CB 3.81Å; I413-F590 HydrophobicContact CD1-CD2 3.55Å; I413-F590 HydrophobicContact CD1-CE2 3.36Å; I413-F590 HydrophobicContact CD1-CG 4.3Å; I413-F590 HydrophobicContact CD1-CZ 3.95Å; I413-F590 HydrophobicContact CG1-CE2 4.5Å; M431-F590 HydrophobicContact SD-CB 4.08Å; M586-F590 HydrophobicContact CB-CD2 4.46Å; M586-F590 WeakPolarHBondContact O-CB 3.38Å; M586-F590 WeakPolarHBondContact O-CD2 3.15Å; M586-F590 PolarHBondContact O-N 3.14Å; M586-F590 VanDerWaalsContact O-N 3.08Å; M586-F590 HydrophobicContact SD-CD2 4.48Å; M586-F590 HydrophobicContact SD-CE2 3.93Å; L588-F590 VanDerWaalsContact C-N 3.31Å; L588-F590 PolarHBondContact O-N 3.39Å
591	E	87.5	Confident	76.4	Confident	19 Å²	19	59.8 Å²	59.8	9%	0.089	30%	0.302	C	S	.	.	H	α-helix	trans	-93.6	-38.5	174.7	-62.9	-168.8	153.3	0	0	113.4	L315 S316 R370 W371 M431 M587	L315-E591 VanDerWaalsContact CA-OE2 3.23Å; L315-E591 WeakPolarHBondContact CA-OE2 3.23Å; L315-E591 HydrophobicContact CD2-CB 4.23Å; S316-E591 WeakPolarHBondContact CB-OE1 3.44Å; S316-E591 PolarHBondContact N-OE2 2.77Å; S316-E591 PolarHBondContact OG-OE1 3.34Å; S316-E591 PolarHBondContact OG-OE2 3.4Å; R370-E591 WeakPolarHBondContact CB-OE1 3.28Å; R370-E591 WeakPolarHBondContact CD-OE1 3.41Å; W371-E591 HydrophobicContact CZ2-CG 4.32Å; W371-E591 VanDerWaalsContact NE1-CG 3.3Å; W371-E591 PolarHBondContact NE1-OE1 2.73Å; M431-E591 HydrophobicContact CE-CG 4.32Å; M587-E591 VanDerWaalsContact O-CB 3.26Å; M587-E591 WeakPolarHBondContact O-CB 3.43Å; M587-E591 PolarHBondContact O-N 3.35Å
592	A	75.6	Confident	75.4	Confident	9 Å²	9	59.5 Å²	59.5	7%	0.074	30%	0.302	C	S	.	.	S	Bend	trans	-84.2	-16.1	-168.2	0	0	0	0	0	113.3	P289 S311 L315 L588 N594	P289-A592 HydrophobicContact CG-CB 4.21Å; S311-A592 WeakPolarHBondContact O-CB 3.24Å; L315-A592 HydrophobicContact CD2-CB 4.21Å; L588-A592 VanDerWaalsContact O-CB 3.29Å; L588-A592 WeakPolarHBondContact O-CB 3.32Å; L588-A592 PolarHBondContact O-N 3.44Å; A592-N594 PolarHBondContact O-N 3.36Å
593	V	69	Low	74.2	Confident	83 Å²	83	62 Å²	62	50%	0.503	32%	0.315	S	S	.	.	S	Bend	trans	-78.3	108.6	167.5	-175.8	0	0	0	0	107.1	P289 D589 S595	P289-V593 HydrophobicContact CB-CG2 3.96Å; D589-V593 VanDerWaalsContact O-CG2 3.29Å; D589-V593 WeakPolarHBondContact O-CG2 3.38Å; V593-S595 PolarHBondContact O-N 3.2Å; V593-S595 VanDerWaalsContact O-N 3.12Å
594	N	52	Low	72.7	Confident	97 Å²	97	66.4 Å²	66.4	52%	0.519	34%	0.338	S	S	.	.			trans	-47.7	125.6	172.7	-81.5	3.4	0	0	0	108.5	A592 T596	A592-N594 PolarHBondContact O-N 3.36Å; N594-T596 PolarHBondContact O-N 3.2Å
595	S	41.4	Very low	71	Confident	118 Å²	118	70.1 Å²	70.1	83%	0.825	36%	0.358	S	S	*	.	S	Bend	trans	-67.3	21.6	173.1	64.5	0	0	0	0	113.3	V593	V593-S595 PolarHBondContact O-N 3.2Å; V593-S595 VanDerWaalsContact O-N 3.12Å
596	T	27.8	Very low	69.2	Low	114 Å²	114	73.4 Å²	73.4	70%	0.699	38%	0.376	S	S	*	.			trans	-106.1	67.9	174.1	60.3	0	0	0	0	108.8	N594	N594-T596 PolarHBondContact O-N 3.2Å
597	R	28.5	Very low	67.2	Low	310 Å²	310	79.4 Å²	79.4	100%	1.17	41%	0.407	S	S	*	.			trans	-142.3	0	153.7	-110.2	-167.5	-176.4	-176.8	2.4	106.2

Retrieved 597 of 597 residues in 422 ms (Link to these results)

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