A0A087YBR1_POEFO Loading...

LIM domain kinase 1

AlphaFold DB , UniProt , Accession A0A087YBR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 672 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	28.6	Very low	39.8	Very low	235 Å²	235	100.8 Å²	100.8	100%	1.158	48%	0.483	S	S	*	.				0	147.3	0	-72.7	173.5	172.3	0	0	108.8	L3	M1-L3 PolarHBondContact O-N 3.09Å
2	R	27.8	Very low	40.2	Very low	218 Å²	218	102.5 Å²	102.5	82%	0.823	50%	0.497	S	S	*	.			trans	-75.1	115.3	175.4	-82.2	179.9	169.7	169.8	-3.4	109.4	M4	R2-M4 HydrophobicContact CB-CG 4.35Å; R2-M4 PolarHBondContact O-N 3.12Å; R2-M4 VanDerWaalsContact O-N 3.14Å
3	L	35.3	Very low	40.7	Very low	122 Å²	122	102.7 Å²	102.7	64%	0.639	50%	0.496	S	S	*	.			trans	-67.4	105.3	159.2	-82.4	120.4	0	0	0	107.8	M1 W79	M1-L3 PolarHBondContact O-N 3.09Å; L3-W79 HydrophobicContact CD2-CH2 3.68Å; L3-W79 HydrophobicContact CD2-CZ2 3.74Å
4	M	41.5	Very low	40.7	Very low	106 Å²	106	113.4 Å²	113.4	52%	0.522	53%	0.529	S	S	.	.			trans	-105.2	86.3	168.8	-80.8	178.8	149.3	0	0	108.1	R2 L6	R2-M4 HydrophobicContact CB-CG 4.35Å; R2-M4 PolarHBondContact O-N 3.12Å; R2-M4 VanDerWaalsContact O-N 3.14Å; M4-L6 HydrophobicContact CB-CD2 3.99Å; M4-L6 HydrophobicContact CB-CG 4Å; M4-L6 PolarHBondContact O-N 2.83Å
5	L	39.6	Very low	40.9	Very low	79 Å²	79	114.1 Å²	114.1	41%	0.414	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	106.3	152.9	176.6	68.4	0	0	0	105.8	W64 Y66	L5-W64 HydrophobicContact CD1-CB 4.25Å; L5-W64 HydrophobicContact CD1-CE3 4.15Å; L5-W64 HydrophobicContact CD2-CD2 4.42Å; L5-W64 HydrophobicContact CD2-CE3 3.62Å; L5-W64 HydrophobicContact CD2-CH2 4.45Å; L5-W64 HydrophobicContact CD2-CZ3 3.62Å; L5-W64 HydrophobicContact CG-CE3 3.57Å; L5-W64 HydrophobicContact CG-CZ3 3.87Å; L5-Y66 HydrophobicContact CD1-CD2 4.21Å; L5-Y66 HydrophobicContact CD1-CE1 4.31Å; L5-Y66 HydrophobicContact CD1-CE2 3.66Å
6	L	45	Very low	40.8	Very low	42 Å²	42	111.1 Å²	111.1	22%	0.22	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138	-174.3	-69.6	168.8	0	0	0	109.5	M4 L43 Y65 E67	M4-L6 HydrophobicContact CB-CD2 3.99Å; M4-L6 HydrophobicContact CB-CG 4Å; M4-L6 PolarHBondContact O-N 2.83Å; L6-L43 HydrophobicContact CD1-CD2 3.54Å; L6-Y65 HydrophobicContact CB-CD1 4.19Å; L6-Y65 HydrophobicContact CB-CD2 4.31Å; L6-Y65 HydrophobicContact CB-CE1 3.62Å; L6-Y65 HydrophobicContact CB-CE2 3.76Å; L6-Y65 HydrophobicContact CD1-CE2 3.83Å; L6-Y65 HydrophobicContact CG-CE2 4.45Å; L6-Y65 PolarHBondContact N-O 3.43Å; L6-Y65 WeakPolarHBondContact O-CD1 3.29Å; L6-Y65 WeakPolarHBondContact O-CE1 3.36Å; L6-Y65 PolarHBondContact O-N 3.31Å; L6-E67 HydrophobicContact CD1-CB 3.99Å
7	C	37	Very low	40.9	Very low	48 Å²	48	115.9 Å²	115.9	32%	0.324	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	132.6	171.5	-171.9	0	0	0	0	108.3	H63 W64 M580	C7-H63 CarbonylContact C-O 3.57Å; C7-H63 VanDerWaalsContact CA-O 3.25Å; C7-H63 WeakPolarHBondContact CA-O 3.5Å; C7-W64 HydrophobicContact CB-CE3 4.17Å; C7-W64 HydrophobicContact CB-CZ3 4.31Å; C7-M580 HydrophobicContact CB-CE 3.94Å; C7-M580 HydrophobicContact CB-SD 4.3Å
8	C	42.9	Very low	41.4	Very low	3 Å²	3	120 Å²	120	2%	0.02	58%	0.583	C	S	.	*	P	Polyproline II helix	trans	-85.9	134.9	171.9	58.4	0	0	0	0	110.2	L40 Q41 A42 F52 H63 Y65	C8-L40 HydrophobicContact CB-CD2 4.22Å; C8-Q41 VanDerWaalsContact CA-O 3.31Å; C8-Q41 WeakPolarHBondContact CA-O 3.31Å; C8-Q41 WeakPolarHBondContact CB-O 3.33Å; C8-A42 HydrophobicContact CB-CB 4.2Å; C8-F52 HydrophobicContact CB-CE1 4.37Å; C8-F52 HydrophobicContact CB-CZ 4.29Å; C8-H63 PolarHBondContact N-O 2.68Å; C8-H63 VanDerWaalsContact SG-CA 3.59Å; C8-H63 PolarHBondContact SG-O 2.85Å; C8-Y65 HydrophobicContact CB-CD1 4.48Å; C8-Y65 HydrophobicContact CB-CE1 4.01Å
9	T	47.1	Very low	41.5	Very low	80 Å²	80	124.1 Å²	124.1	49%	0.491	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	131.3	176.5	49	0	0	0	0	110.2	Q41	T9-Q41 PolarHBondContact N-O 3.05Å; T9-Q41 VanDerWaalsContact N-O 3.15Å; T9-Q41 PolarHBondContact O-N 3.47Å
10	W	45.5	Very low	41.4	Very low	105 Å²	105	122.8 Å²	122.8	40%	0.398	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	142.2	168.1	-67.3	82	0	0	0	109.7	Q38 L40 T49 H63	W10-Q38 HydrophobicContact CE3-CB 4.06Å; W10-Q38 HydrophobicContact CZ3-CB 3.98Å; W10-L40 HydrophobicContact CD2-CD2 3.55Å; W10-L40 HydrophobicContact CD2-CG 4.47Å; W10-L40 HydrophobicContact CE3-CD2 4.06Å; W10-L40 HydrophobicContact CG-CD2 3.99Å; W10-L40 HydrophobicContact CH2-CD2 4.13Å; W10-L40 HydrophobicContact CH2-CG 4.32Å; W10-L40 HydrophobicContact CZ2-CD1 4.5Å; W10-L40 HydrophobicContact CZ2-CD2 3.61Å; W10-L40 HydrophobicContact CZ2-CG 4.24Å; W10-L40 HydrophobicContact CZ3-CD2 4.32Å; W10-L40 HydrophobicContact CZ3-CG 4.46Å; W10-T49 HydrophobicContact CH2-CG2 3.52Å; W10-T49 HydrophobicContact CZ3-CG2 3.46Å; W10-T49 VanDerWaalsContact CZ3-CG2 3.46Å; W10-H63 AromaticContact CD1-CE1 3.41Å; W10-H63 VanDerWaalsContact CD1-CE1 3.41Å; W10-H63 AromaticContact CD1-ND1 3.71Å; W10-H63 AromaticContact NE1-CE1 3.01Å; W10-H63 PolarHBondContact NE1-CE1 2.99Å; W10-H63 AromaticContact NE1-ND1 3.4Å; W10-H63 PolarHBondContact NE1-ND1 3.36Å; W10-H63 AromaticContact NE1-NE2 3.68Å
11	K	47.2	Very low	41.5	Very low	71 Å²	71	121.4 Å²	121.4	31%	0.309	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.8	122.6	168.7	-85	-170.7	163.5	-154	0	110.1	E13 Y39	K11-E13 WeakPolarHBondContact CE-OE1 3.46Å; K11-E13 IonicContact NZ-OE1 2.81Å; K11-E13 PolarHBondContact NZ-OE1 3.02Å; K11-Y39 HydrophobicContact CB-CE1 4.22Å; K11-Y39 HydrophobicContact CB-CE2 4.29Å; K11-Y39 HydrophobicContact CD-CE2 4.14Å; K11-Y39 VanDerWaalsContact CD-OH 3.28Å; K11-Y39 WeakPolarHBondContact CD-OH 3.3Å; K11-Y39 PolarHBondContact N-O 2.89Å
12	D	45.2	Very low	42.4	Very low	121 Å²	121	113.4 Å²	113.4	65%	0.647	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.5	88.9	160.4	-69.6	-53.2	0	0	0	108.3	Q38	D12-Q38 VanDerWaalsContact OD1-CG 3.3Å; D12-Q38 WeakPolarHBondContact OD1-CG 3.15Å; D12-Q38 PolarHBondContact OD1-NE2 3.36Å
13	E	46.5	Very low	43.8	Very low	105 Å²	105	108.6 Å²	108.6	49%	0.491	61%	0.606	S	S	.	*			trans	-102.4	107.9	167.2	-81	177.5	-155.7	0	0	108.5	K11 M15	K11-E13 WeakPolarHBondContact CE-OE1 3.46Å; K11-E13 IonicContact NZ-OE1 2.81Å; K11-E13 PolarHBondContact NZ-OE1 3.02Å; E13-M15 PolarHBondContact O-N 3.23Å
14	R	40.1	Very low	45.1	Very low	253 Å²	253	105.3 Å²	105.3	96%	0.955	59%	0.589	S	S	*	*			trans	-63.9	99.3	178.7	-124.1	-170.3	-78.1	-176.2	-7.2	109.1	G16	R14-G16 PolarHBondContact O-N 3.27Å
15	M	44.3	Very low	46.5	Very low	124 Å²	124	101.6 Å²	101.6	61%	0.611	57%	0.572	S	S	*	*			trans	-75.4	76.3	178.2	-67.4	-131.7	-62.4	0	0	110.8	E13 L24	E13-M15 PolarHBondContact O-N 3.23Å; M15-L24 HydrophobicContact CE-CD2 3.56Å; M15-L24 HydrophobicContact SD-CD2 3.64Å
16	G	39	Very low	48.4	Very low	66 Å²	66	103.4 Å²	103.4	68%	0.68	58%	0.579	S	S	*	*			trans	-65.9	150.6	164.3	0	0	0	0	0	111	R14	R14-G16 PolarHBondContact O-N 3.27Å
17	E	42.6	Very low	49.9	Very low	192 Å²	192	101.4 Å²	101.4	90%	0.897	57%	0.568	S	S	*	*	S	Bend	trans	-58.2	137.6	-175.3	-63	171.1	133.7	0	0	112.9
18	E	49.9	Very low	51.8	Low	190 Å²	190	100.2 Å²	100.2	89%	0.888	56%	0.562	S	S	*	*	S	Bend	trans	31.9	83.2	160.1	-59.9	-167.9	151.3	0	0	118.8
19	E	43.9	Very low	53.4	Low	197 Å²	197	102.1 Å²	102.1	92%	0.921	58%	0.582	S	S	*	*			trans	-158.8	146.2	137.6	-115.2	169.2	-153.5	0	0	112.6
20	A	39	Very low	54.9	Low	99 Å²	99	100.9 Å²	100.9	82%	0.818	58%	0.576	S	S	*	*	S	Bend	trans	69.3	61.4	173.4	0	0	0	0	0	120	G22	A20-G22 VanDerWaalsContact C-N 3.29Å; A20-G22 PolarHBondContact O-N 2.95Å
21	G	44.3	Very low	56.4	Low	94 Å²	94	102.7 Å²	102.7	97%	0.969	59%	0.587	S	S	*	*				62.3	4.6	129.4	0	0	0	0	0	121.5
22	G	46.3	Very low	57.9	Low	67 Å²	67	105.7 Å²	105.7	69%	0.691	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-78.5	131.6	175	0	0	0	0	0	112.2	A20	A20-G22 VanDerWaalsContact C-N 3.29Å; A20-G22 PolarHBondContact O-N 2.95Å
23	S	58.1	Low	59.5	Low	117 Å²	117	105.9 Å²	105.9	82%	0.818	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-70.4	129	169.2	52.2	0	0	0	0	110.3
24	L	61.3	Low	60.9	Low	53 Å²	53	101 Å²	101	28%	0.277	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-54.6	139.7	173.7	-64.6	177.3	0	0	0	111.3	M15 Y35	M15-L24 HydrophobicContact CE-CD2 3.56Å; M15-L24 HydrophobicContact SD-CD2 3.64Å; L24-Y35 HydrophobicContact CD1-CD1 4.27Å; L24-Y35 HydrophobicContact CD1-CE1 3.81Å
25	P	71.3	Confident	62.3	Low	28 Å²	28	96.5 Å²	96.5	18%	0.182	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-64.8	138.5	179.7	24.1	-30.3	0	0	0	111.5	I34 Y39 D46	P25-I34 HydrophobicContact CB-CD1 4.41Å; P25-I34 HydrophobicContact CG-CB 4.32Å; P25-I34 PolarHBondContact O-N 3.2Å; P25-Y39 HydrophobicContact CG-CE1 4.39Å; P25-Y39 HydrophobicContact CG-CE2 4.22Å; P25-D46 HydrophobicContact CB-CB 3.91Å; P25-D46 VanDerWaalsContact CB-OD2 3.32Å; P25-D46 WeakPolarHBondContact CB-OD2 3.34Å
26	E	79.3	Confident	63.3	Low	116 Å²	116	94.1 Å²	94.1	54%	0.542	55%	0.545	S	S	.	.	B	Isolated β-bridge	trans	-99.9	130.1	178.5	-71.5	-177.4	174.6	0	0	110.4	A28 R33	E26-A28 PolarHBondContact O-N 3.49Å; E26-R33 HydrophobicContact CG-CG 4.06Å
27	C	77.4	Confident	64.1	Low	0 Å²	0	99.2 Å²	99.2	0%	0	55%	0.55	C	S	.	*	B	Isolated β-bridge	trans	-68.2	120.7	-177.9	176.5	0	0	0	0	111.2	G29 C30 K31 E32 I34 D46 H48	C27-G29 PolarHBondContact O-N 3.14Å; C27-G29 VanDerWaalsContact O-N 3.14Å; C27-G29 PolarHBondContact SG-N 3.43Å; C27-G29 VanDerWaalsContact SG-N 3.44Å; C27-C30 VanDerWaalsContact CB-SG 3.56Å; C27-C30 VanDerWaalsContact SG-SG 3.64Å; C27-K31 WeakPolarHBondContact O-CA 3.31Å; C27-K31 PolarHBondContact O-N 2.94Å; C27-E32 WeakPolarHBondContact CB-O 3.4Å; C27-E32 PolarHBondContact N-O 3.23Å; C27-I34 HydrophobicContact CB-CD1 4.12Å; C27-I34 HydrophobicContact CB-CG1 3.86Å; C27-D46 CarbonylContact C-O 3.45Å; C27-D46 VanDerWaalsContact CA-O 3.3Å; C27-D46 WeakPolarHBondContact CA-O 3.28Å; C27-H48 VanDerWaalsContact CB-ND1 3.26Å; C27-H48 WeakPolarHBondContact CB-ND1 3.42Å; C27-H48 PolarHBondContact SG-N 3.48Å; C27-H48 VanDerWaalsContact SG-N 3.44Å; C27-H48 PolarHBondContact SG-ND1 2.63Å; C27-H48 VanDerWaalsContact SG-ND1 3.4Å
28	A	76.8	Confident	64.7	Low	23 Å²	23	94.6 Å²	94.6	19%	0.19	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.5	179.5	0	0	0	0	0	113.7	E26 K31 A45 D46 W47	E26-A28 PolarHBondContact O-N 3.49Å; A28-K31 WeakPolarHBondContact O-CE 3.45Å; A28-K31 PolarHBondContact O-NZ 3.07Å; A28-A45 HydrophobicContact CB-CB 3.84Å; A28-D46 PolarHBondContact N-O 3Å; A28-W47 HydrophobicContact CB-CD2 4Å; A28-W47 HydrophobicContact CB-CE3 4.36Å; A28-W47 HydrophobicContact CB-CH2 3.97Å; A28-W47 HydrophobicContact CB-CZ2 3.57Å; A28-W47 HydrophobicContact CB-CZ3 4.35Å
29	G	75.5	Confident	65.5	Low	43 Å²	43	86.7 Å²	86.7	44%	0.443	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-52.5	-179.8	0	0	0	0	0	115.1	C27 W47	C27-G29 PolarHBondContact O-N 3.14Å; C27-G29 VanDerWaalsContact O-N 3.14Å; C27-G29 PolarHBondContact SG-N 3.43Å; C27-G29 VanDerWaalsContact SG-N 3.44Å; G29-W47 VanDerWaalsContact CA-CZ3 3.48Å
30	C	79.5	Confident	66.6	Low	54 Å²	54	77.6 Å²	77.6	37%	0.365	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-9	-177.8	63.4	0	0	0	0	115	C27 E32 H48	C27-C30 VanDerWaalsContact CB-SG 3.56Å; C27-C30 VanDerWaalsContact SG-SG 3.64Å; C30-E32 PolarHBondContact O-N 2.85Å; C30-H48 VanDerWaalsContact SG-CE1 3.51Å; C30-H48 PolarHBondContact SG-ND1 3.32Å
31	K	77.7	Confident	68	Low	144 Å²	144	75.9 Å²	75.9	63%	0.626	42%	0.424	S	S	*	.			trans	63.6	6.9	-175.2	-53.6	-52.6	-171.7	-164.3	0	116.1	C27 A28	C27-K31 WeakPolarHBondContact O-CA 3.31Å; C27-K31 PolarHBondContact O-N 2.94Å; A28-K31 WeakPolarHBondContact O-CE 3.45Å; A28-K31 PolarHBondContact O-NZ 3.07Å
32	E	77.6	Confident	68.9	Low	133 Å²	133	71.5 Å²	71.5	62%	0.621	38%	0.379	S	S	*	.	S	Bend	trans	-85.8	155.6	170.6	-63.1	-59.5	156.6	0	0	111.6	C27 C30	C27-E32 WeakPolarHBondContact CB-O 3.4Å; C27-E32 PolarHBondContact N-O 3.23Å; C30-E32 PolarHBondContact O-N 2.85Å
33	R	78.8	Confident	69.7	Low	126 Å²	126	71 Å²	71	48%	0.475	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-67.6	140.8	174.8	-70.1	177.4	179.6	-177.3	-0.3	111	E26 Y35	E26-R33 HydrophobicContact CG-CG 4.06Å; R33-Y35 HydrophobicContact CB-CD2 4.43Å; R33-Y35 HydrophobicContact CB-CE2 3.71Å; R33-Y35 WeakPolarHBondContact O-CD2 3.22Å; R33-Y35 WeakPolarHBondContact O-CE2 3.39Å
34	I	76.3	Confident	70.1	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.015	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-85.6	121.3	177.9	-56.5	174.4	0	0	0	108.8	P25 C27 D36 Y39 D46 H48	P25-I34 HydrophobicContact CB-CD1 4.41Å; P25-I34 HydrophobicContact CG-CB 4.32Å; P25-I34 PolarHBondContact O-N 3.2Å; C27-I34 HydrophobicContact CB-CD1 4.12Å; C27-I34 HydrophobicContact CB-CG1 3.86Å; I34-D36 HydrophobicContact CG2-CB 4.34Å; I34-Y39 HydrophobicContact CD1-CD2 4.43Å; I34-Y39 HydrophobicContact CD1-CG 4.45Å; I34-Y39 HydrophobicContact CG2-CD1 4.3Å; I34-Y39 HydrophobicContact CG2-CG 4.15Å; I34-D46 HydrophobicContact CD1-CB 3.72Å; I34-H48 WeakPolarHBondContact CA-NE2 3.46Å
35	Y	69.5	Low	70.7	Confident	157 Å²	157	72.3 Å²	72.3	62%	0.616	36%	0.362	S	S	*	.			trans	-111.5	-5.9	175.7	-62.3	-84.8	0	0	0	112.7	L24 R33	L24-Y35 HydrophobicContact CD1-CD1 4.27Å; L24-Y35 HydrophobicContact CD1-CE1 3.81Å; R33-Y35 HydrophobicContact CB-CD2 4.43Å; R33-Y35 HydrophobicContact CB-CE2 3.71Å; R33-Y35 WeakPolarHBondContact O-CD2 3.22Å; R33-Y35 WeakPolarHBondContact O-CE2 3.39Å
36	D	64.7	Low	71.1	Confident	75 Å²	75	72.3 Å²	72.3	40%	0.401	36%	0.361	S	S	.	.	S	Bend	trans	-69.5	139.9	-179.5	-62.4	-23.3	0	0	0	110.8	I34 Q38 H48	I34-D36 HydrophobicContact CG2-CB 4.34Å; D36-Q38 PolarHBondContact O-N 2.72Å; D36-Q38 VanDerWaalsContact O-N 3.12Å; D36-H48 IonicContact OD2-CD2 3.99Å; D36-H48 PolarHBondContact OD2-CD2 2.9Å
37	E	56.2	Low	71	Confident	172 Å²	172	68.3 Å²	68.3	80%	0.804	34%	0.34	S	S	*	.	S	Bend	trans	-61.4	-19.5	175.3	-63	-170.4	158.1	0	0	113
38	Q	56.2	Low	71	Confident	96 Å²	96	69.2 Å²	69.2	45%	0.449	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.6	-179.6	-69.6	-169.6	-24	0	0	111.4	W10 D12 D36	W10-Q38 HydrophobicContact CE3-CB 4.06Å; W10-Q38 HydrophobicContact CZ3-CB 3.98Å; D12-Q38 VanDerWaalsContact OD1-CG 3.3Å; D12-Q38 WeakPolarHBondContact OD1-CG 3.15Å; D12-Q38 PolarHBondContact OD1-NE2 3.36Å; D36-Q38 PolarHBondContact O-N 2.72Å; D36-Q38 VanDerWaalsContact O-N 3.12Å
39	Y	66.4	Low	70.5	Confident	23 Å²	23	70.6 Å²	70.6	9%	0.09	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.9	178.6	63.8	-87.6	0	0	0	112.7	K11 P25 I34 D46	K11-Y39 HydrophobicContact CB-CE1 4.22Å; K11-Y39 HydrophobicContact CB-CE2 4.29Å; K11-Y39 HydrophobicContact CD-CE2 4.14Å; K11-Y39 VanDerWaalsContact CD-OH 3.28Å; K11-Y39 WeakPolarHBondContact CD-OH 3.3Å; K11-Y39 PolarHBondContact N-O 2.89Å; P25-Y39 HydrophobicContact CG-CE1 4.39Å; P25-Y39 HydrophobicContact CG-CE2 4.22Å; I34-Y39 HydrophobicContact CD1-CD2 4.43Å; I34-Y39 HydrophobicContact CD1-CG 4.45Å; I34-Y39 HydrophobicContact CG2-CD1 4.3Å; I34-Y39 HydrophobicContact CG2-CG 4.15Å; Y39-D46 HydrophobicContact CD2-CB 4Å; Y39-D46 HydrophobicContact CE2-CB 4.21Å
40	L	67.8	Low	70.4	Confident	6 Å²	6	74.1 Å²	74.1	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.5	-173.7	-74	175.9	0	0	0	110.7	C8 W10 D46 W47 F52	C8-L40 HydrophobicContact CB-CD2 4.22Å; W10-L40 HydrophobicContact CD2-CD2 3.55Å; W10-L40 HydrophobicContact CD2-CG 4.47Å; W10-L40 HydrophobicContact CE3-CD2 4.06Å; W10-L40 HydrophobicContact CG-CD2 3.99Å; W10-L40 HydrophobicContact CH2-CD2 4.13Å; W10-L40 HydrophobicContact CH2-CG 4.32Å; W10-L40 HydrophobicContact CZ2-CD1 4.5Å; W10-L40 HydrophobicContact CZ2-CD2 3.61Å; W10-L40 HydrophobicContact CZ2-CG 4.24Å; W10-L40 HydrophobicContact CZ3-CD2 4.32Å; W10-L40 HydrophobicContact CZ3-CG 4.46Å; L40-D46 CarbonylContact O-C 3.46Å; L40-D46 WeakPolarHBondContact O-CA 3.33Å; L40-W47 HydrophobicContact CB-CB 4.26Å; L40-W47 PolarHBondContact N-O 3.22Å; L40-W47 PolarHBondContact O-N 3.18Å; L40-F52 HydrophobicContact CD1-CB 3.62Å; L40-F52 HydrophobicContact CD1-CD1 3.75Å; L40-F52 HydrophobicContact CD1-CG 3.73Å
41	Q	66.9	Low	70	Confident	63 Å²	63	73.2 Å²	73.2	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.5	171.2	-171.8	163.5	67	0	0	110.7	C8 T9 A45 D46	C8-Q41 VanDerWaalsContact CA-O 3.31Å; C8-Q41 WeakPolarHBondContact CA-O 3.31Å; C8-Q41 WeakPolarHBondContact CB-O 3.33Å; T9-Q41 PolarHBondContact N-O 3.05Å; T9-Q41 VanDerWaalsContact N-O 3.15Å; T9-Q41 PolarHBondContact O-N 3.47Å; Q41-A45 WeakPolarHBondContact CA-O 3.41Å; Q41-D46 WeakPolarHBondContact CG-OD1 3.41Å; Q41-D46 PolarHBondContact NE2-OD1 2.87Å
42	A	62.6	Low	70	Confident	2 Å²	2	66.4 Å²	66.4	2%	0.017	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	136.2	-175.5	0	0	0	0	0	110.5	C8 N44 A45 W47 F52 Y65	C8-A42 HydrophobicContact CB-CB 4.2Å; A42-N44 VanDerWaalsContact C-N 3.3Å; A42-N44 PolarHBondContact O-N 3.05Å; A42-A45 PolarHBondContact N-O 3.2Å; A42-A45 CarbonylContact O-C 3.53Å; A42-A45 PolarHBondContact O-N 3.32Å; A42-A45 VanDerWaalsContact O-N 3.07Å; A42-W47 PolarHBondContact O-NE1 3Å; A42-W47 VanDerWaalsContact O-NE1 3.09Å; A42-F52 HydrophobicContact CB-CD2 4.4Å; A42-F52 HydrophobicContact CB-CE2 3.42Å; A42-F52 VanDerWaalsContact CB-CE2 3.42Å; A42-F52 HydrophobicContact CB-CZ 3.8Å; A42-Y65 WeakPolarHBondContact CA-OH 3.4Å; A42-Y65 HydrophobicContact CB-CE1 3.98Å; A42-Y65 HydrophobicContact CB-CE2 4.43Å; A42-Y65 VanDerWaalsContact CB-OH 3.31Å; A42-Y65 WeakPolarHBondContact CB-OH 3.32Å
43	L	64.3	Low	70.1	Confident	56 Å²	56	65.4 Å²	65.4	29%	0.293	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	36.6	-176.6	-52.4	174.4	0	0	0	114.7	L6 A45 Y65 E67 L72	L6-L43 HydrophobicContact CD1-CD2 3.54Å; L43-A45 PolarHBondContact O-N 3.31Å; L43-Y65 HydrophobicContact CD2-CE2 4.07Å; L43-Y65 HydrophobicContact CG-CE2 4.11Å; L43-Y65 PolarHBondContact N-OH 2.84Å; L43-E67 HydrophobicContact CD1-CB 4.37Å; L43-E67 HydrophobicContact CD1-CG 3.71Å; L43-E67 HydrophobicContact CD2-CB 3.77Å; L43-E67 HydrophobicContact CD2-CG 3.53Å; L43-E67 HydrophobicContact CG-CG 4.24Å; L43-L72 HydrophobicContact CD1-CD2 3.71Å; L43-L72 HydrophobicContact CG-CD2 4.32Å
44	N	66.6	Low	70.2	Confident	168 Å²	168	59.5 Å²	59.5	90%	0.898	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	25.5	-172.9	-55.1	-28.7	0	0	0	113.9	A42	A42-N44 VanDerWaalsContact C-N 3.3Å; A42-N44 PolarHBondContact O-N 3.05Å
45	A	73.2	Confident	70.4	Confident	30 Å²	30	62.7 Å²	62.7	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	160.6	175.5	0	0	0	0	0	110.7	A28 Q41 A42 L43 W47	A28-A45 HydrophobicContact CB-CB 3.84Å; Q41-A45 WeakPolarHBondContact CA-O 3.41Å; A42-A45 PolarHBondContact N-O 3.2Å; A42-A45 CarbonylContact O-C 3.53Å; A42-A45 PolarHBondContact O-N 3.32Å; A42-A45 VanDerWaalsContact O-N 3.07Å; L43-A45 PolarHBondContact O-N 3.31Å; A45-W47 VanDerWaalsContact O-CD1 3.27Å; A45-W47 PolarHBondContact O-NE1 3.16Å
46	D	79.1	Confident	70.9	Confident	29 Å²	29	58.7 Å²	58.7	16%	0.155	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	148.2	-174	-52.2	-52.4	0	0	0	111.1	P25 C27 A28 I34 Y39 L40 Q41	P25-D46 HydrophobicContact CB-CB 3.91Å; P25-D46 VanDerWaalsContact CB-OD2 3.32Å; P25-D46 WeakPolarHBondContact CB-OD2 3.34Å; C27-D46 CarbonylContact C-O 3.45Å; C27-D46 VanDerWaalsContact CA-O 3.3Å; C27-D46 WeakPolarHBondContact CA-O 3.28Å; A28-D46 PolarHBondContact N-O 3Å; I34-D46 HydrophobicContact CD1-CB 3.72Å; Y39-D46 HydrophobicContact CD2-CB 4Å; Y39-D46 HydrophobicContact CE2-CB 4.21Å; L40-D46 CarbonylContact O-C 3.46Å; L40-D46 WeakPolarHBondContact O-CA 3.33Å; Q41-D46 WeakPolarHBondContact CG-OD1 3.41Å; Q41-D46 PolarHBondContact NE2-OD1 2.87Å
47	W	79.1	Confident	71.7	Confident	31 Å²	31	58.2 Å²	58.2	12%	0.117	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	136.5	-171.6	-58.8	77.3	0	0	0	111.2	A28 G29 L40 A42 A45 F52 L72	A28-W47 HydrophobicContact CB-CD2 4Å; A28-W47 HydrophobicContact CB-CE3 4.36Å; A28-W47 HydrophobicContact CB-CH2 3.97Å; A28-W47 HydrophobicContact CB-CZ2 3.57Å; A28-W47 HydrophobicContact CB-CZ3 4.35Å; G29-W47 VanDerWaalsContact CA-CZ3 3.48Å; L40-W47 HydrophobicContact CB-CB 4.26Å; L40-W47 PolarHBondContact N-O 3.22Å; L40-W47 PolarHBondContact O-N 3.18Å; A42-W47 PolarHBondContact O-NE1 3Å; A42-W47 VanDerWaalsContact O-NE1 3.09Å; A45-W47 VanDerWaalsContact O-CD1 3.27Å; A45-W47 PolarHBondContact O-NE1 3.16Å; W47-F52 HydrophobicContact CB-CD2 4.07Å; W47-F52 AromaticContact CD2-CD2 3.98Å; W47-F52 HydrophobicContact CD2-CD2 3.98Å; W47-F52 HydrophobicContact CD2-CE2 4.47Å; W47-F52 HydrophobicContact CE3-CD2 4.31Å; W47-F52 AromaticContact CG-CD2 3.87Å; W47-F52 HydrophobicContact CG-CD2 3.87Å; W47-F52 HydrophobicContact CG-CE2 4.42Å; W47-L72 HydrophobicContact CD2-CD1 4.42Å; W47-L72 HydrophobicContact CE3-CD1 4.2Å; W47-L72 HydrophobicContact CH2-CD1 3.69Å; W47-L72 HydrophobicContact CH2-CG 4.39Å; W47-L72 HydrophobicContact CZ2-CD1 3.9Å; W47-L72 HydrophobicContact CZ3-CD1 3.83Å
48	H	75.6	Confident	72.7	Confident	20 Å²	20	53.4 Å²	53.4	9%	0.093	29%	0.287	C	S	.	.			trans	-61.7	142.7	162.2	-63	112.8	0	0	0	109.8	C27 C30 I34 D36 I50 C51 F52	C27-H48 VanDerWaalsContact CB-ND1 3.26Å; C27-H48 WeakPolarHBondContact CB-ND1 3.42Å; C27-H48 PolarHBondContact SG-N 3.48Å; C27-H48 VanDerWaalsContact SG-N 3.44Å; C27-H48 PolarHBondContact SG-ND1 2.63Å; C27-H48 VanDerWaalsContact SG-ND1 3.4Å; C30-H48 VanDerWaalsContact SG-CE1 3.51Å; C30-H48 PolarHBondContact SG-ND1 3.32Å; I34-H48 WeakPolarHBondContact CA-NE2 3.46Å; D36-H48 IonicContact OD2-CD2 3.99Å; D36-H48 PolarHBondContact OD2-CD2 2.9Å; H48-I50 HydrophobicContact CB-CG1 3.98Å; H48-I50 PolarHBondContact O-N 2.87Å; H48-C51 HydrophobicContact CB-CB 4.01Å; H48-C51 PolarHBondContact O-N 3.43Å; H48-F52 PolarHBondContact O-N 3.11Å
49	T	67.9	Low	73.6	Confident	52 Å²	52	51.2 Å²	51.2	32%	0.319	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-40.8	175.1	57.6	0	0	0	0	112.3	W10	W10-T49 HydrophobicContact CH2-CG2 3.52Å; W10-T49 HydrophobicContact CZ3-CG2 3.46Å; W10-T49 VanDerWaalsContact CZ3-CG2 3.46Å
50	I	71.9	Confident	73.9	Confident	116 Å²	116	53.9 Å²	53.9	60%	0.595	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.4	177.7	58.4	165	0	0	0	114.4	H48 R53	H48-I50 HydrophobicContact CB-CG1 3.98Å; H48-I50 PolarHBondContact O-N 2.87Å; I50-R53 PolarHBondContact O-NE 2.91Å
51	C	71.8	Confident	74	Confident	36 Å²	36	54.5 Å²	54.5	24%	0.243	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-13.7	-179.6	-67.9	0	0	0	0	112.8	H48 R53	H48-C51 HydrophobicContact CB-CB 4.01Å; H48-C51 PolarHBondContact O-N 3.43Å; C51-R53 PolarHBondContact O-N 2.94Å
52	F	77.9	Confident	73.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.323	C	S	.	.			trans	-80.1	84.1	-179.5	-159.5	-112.3	0	0	0	111.2	C8 L40 A42 W47 H48 L61 Y65 L72	C8-F52 HydrophobicContact CB-CE1 4.37Å; C8-F52 HydrophobicContact CB-CZ 4.29Å; L40-F52 HydrophobicContact CD1-CB 3.62Å; L40-F52 HydrophobicContact CD1-CD1 3.75Å; L40-F52 HydrophobicContact CD1-CG 3.73Å; A42-F52 HydrophobicContact CB-CD2 4.4Å; A42-F52 HydrophobicContact CB-CE2 3.42Å; A42-F52 VanDerWaalsContact CB-CE2 3.42Å; A42-F52 HydrophobicContact CB-CZ 3.8Å; W47-F52 HydrophobicContact CB-CD2 4.07Å; W47-F52 AromaticContact CD2-CD2 3.98Å; W47-F52 HydrophobicContact CD2-CD2 3.98Å; W47-F52 HydrophobicContact CD2-CE2 4.47Å; W47-F52 HydrophobicContact CE3-CD2 4.31Å; W47-F52 AromaticContact CG-CD2 3.87Å; W47-F52 HydrophobicContact CG-CD2 3.87Å; W47-F52 HydrophobicContact CG-CE2 4.42Å; H48-F52 PolarHBondContact O-N 3.11Å; F52-L61 HydrophobicContact CD1-CB 3.64Å; F52-L61 HydrophobicContact CD1-CD1 4.5Å; F52-L61 HydrophobicContact CE1-CB 3.68Å; F52-L61 HydrophobicContact CE1-CD1 4.27Å; F52-L61 HydrophobicContact CZ-CD1 4.48Å; F52-L61 PolarHBondContact O-N 2.85Å; F52-Y65 AromaticContact CE1-CD1 3.96Å; F52-Y65 HydrophobicContact CE1-CD1 3.96Å; F52-Y65 HydrophobicContact CE1-CG 4.23Å; F52-Y65 AromaticContact CZ-CD1 3.49Å; F52-Y65 HydrophobicContact CZ-CD1 3.49Å; F52-Y65 VanDerWaalsContact CZ-CD1 3.49Å; F52-Y65 HydrophobicContact CZ-CD2 4.16Å; F52-Y65 AromaticContact CZ-CE1 3.77Å; F52-Y65 HydrophobicContact CZ-CE1 3.77Å; F52-Y65 HydrophobicContact CZ-CE2 4.39Å; F52-Y65 AromaticContact CZ-CG 3.69Å; F52-Y65 HydrophobicContact CZ-CG 3.69Å; F52-L72 HydrophobicContact CD2-CD1 3.66Å; F52-L72 HydrophobicContact CE2-CD1 3.44Å; F52-L72 VanDerWaalsContact CE2-CD1 3.44Å; F52-L72 HydrophobicContact CE2-CD2 3.91Å; F52-L72 HydrophobicContact CE2-CG 4.32Å; F52-L72 HydrophobicContact CZ-CD1 4.27Å; F52-L72 HydrophobicContact CZ-CD2 4.24Å
53	R	79.5	Confident	73.3	Confident	112 Å²	112	59.9 Å²	59.9	42%	0.423	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-132	153.5	-170.1	-68.7	175.7	178.3	-117.5	3.9	112.7	I50 C51 C55 S58 A59 L61	I50-R53 PolarHBondContact O-NE 2.91Å; C51-R53 PolarHBondContact O-N 2.94Å; R53-C55 PolarHBondContact O-N 3.36Å; R53-S58 WeakPolarHBondContact CD-O 3.36Å; R53-S58 PolarHBondContact NH1-O 2.78Å; R53-A59 CarbonylContact C-O 3.52Å; R53-A59 VanDerWaalsContact CA-O 3.27Å; R53-A59 WeakPolarHBondContact CA-O 3.14Å; R53-L61 VanDerWaalsContact C-CD1 3.48Å
54	C	80	Confident	72.8	Confident	2 Å²	2	62 Å²	62	1%	0.014	35%	0.348	C	S	.	.			trans	-63.1	129.3	171.7	-174.8	0	0	0	0	110.1	E56 C57 S58 A59 L61 C74 D77	C54-E56 PolarHBondContact O-N 3.27Å; C54-E56 VanDerWaalsContact O-N 3.1Å; C54-E56 PolarHBondContact SG-N 3.11Å; C54-C57 VanDerWaalsContact CB-SG 3.56Å; C54-S58 WeakPolarHBondContact O-CA 3.15Å; C54-S58 PolarHBondContact O-N 2.88Å; C54-A59 PolarHBondContact N-O 2.86Å; C54-L61 HydrophobicContact CB-CD2 3.99Å; C54-L61 HydrophobicContact CB-CG 4.46Å; C54-C74 HydrophobicContact CB-CB 4.13Å; C54-C74 PolarHBondContact SG-N 3.28Å; C54-D77 PolarHBondContact SG-OD2 3.18Å
55	C	81.8	Confident	73	Confident	70 Å²	70	54.1 Å²	54.1	47%	0.473	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.2	177.2	-65.2	0	0	0	0	114.2	R53 L72	R53-C55 PolarHBondContact O-N 3.36Å; C55-L72 PolarHBondContact N-O 2.87Å; C55-L72 PolarHBondContact SG-O 3.26Å; C55-L72 VanDerWaalsContact SG-O 3.36Å
56	E	80.1	Confident	72.8	Confident	74 Å²	74	53.9 Å²	53.9	35%	0.346	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-71.3	-178.7	-58.9	-65.4	162	0	0	111.4	C54 S58 Y73 D77 K81	C54-E56 PolarHBondContact O-N 3.27Å; C54-E56 VanDerWaalsContact O-N 3.1Å; C54-E56 PolarHBondContact SG-N 3.11Å; E56-S58 VanDerWaalsContact C-N 3.3Å; E56-S58 PolarHBondContact O-N 3.18Å; E56-Y73 HydrophobicContact CG-CD1 3.77Å; E56-Y73 HydrophobicContact CG-CE1 3.6Å; E56-D77 HydrophobicContact CB-CB 3.99Å; E56-D77 WeakPolarHBondContact CB-OD2 3.22Å; E56-D77 HydrophobicContact CG-CB 4.21Å; E56-K81 VanDerWaalsContact CD-CE 3.41Å; E56-K81 HydrophobicContact CG-CD 4.4Å; E56-K81 WeakPolarHBondContact OE1-CE 3.39Å; E56-K81 IonicContact OE1-NZ 2.72Å; E56-K81 PolarHBondContact OE1-NZ 3.5Å; E56-K81 VanDerWaalsContact OE2-CE 3.24Å; E56-K81 WeakPolarHBondContact OE2-CE 3.36Å; E56-K81 IonicContact OE2-NZ 3.79Å; E56-K81 PolarHBondContact OE2-NZ 2.84Å
57	C	80.6	Confident	72.7	Confident	65 Å²	65	55.5 Å²	55.5	44%	0.439	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-4.6	-179.5	65.2	0	0	0	0	115.3	C54 A59 D77	C54-C57 VanDerWaalsContact CB-SG 3.56Å; C57-A59 PolarHBondContact O-N 3.38Å; C57-A59 VanDerWaalsContact SG-CB 3.52Å; C57-D77 VanDerWaalsContact CB-OD2 3.28Å; C57-D77 WeakPolarHBondContact CB-OD2 3.45Å; C57-D77 PolarHBondContact N-OD2 2.79Å; C57-D77 PolarHBondContact SG-OD2 2.93Å
58	S	77.9	Confident	72.2	Confident	71 Å²	71	57.2 Å²	57.2	50%	0.497	31%	0.314	S	S	.	.			trans	56.7	10.7	-175.4	-59.7	0	0	0	0	115.8	R53 C54 E56	R53-S58 WeakPolarHBondContact CD-O 3.36Å; R53-S58 PolarHBondContact NH1-O 2.78Å; C54-S58 WeakPolarHBondContact O-CA 3.15Å; C54-S58 PolarHBondContact O-N 2.88Å; E56-S58 VanDerWaalsContact C-N 3.3Å; E56-S58 PolarHBondContact O-N 3.18Å
59	A	75.8	Confident	72.1	Confident	49 Å²	49	62.9 Å²	62.9	41%	0.405	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-68.1	143.3	173.4	0	0	0	0	0	110.5	R53 C54 C57 L61	R53-A59 CarbonylContact C-O 3.52Å; R53-A59 VanDerWaalsContact CA-O 3.27Å; R53-A59 WeakPolarHBondContact CA-O 3.14Å; C54-A59 PolarHBondContact N-O 2.86Å; C57-A59 PolarHBondContact O-N 3.38Å; C57-A59 VanDerWaalsContact SG-CB 3.52Å; A59-L61 PolarHBondContact O-N 3.41Å
60	S	72.7	Confident	72.1	Confident	80 Å²	80	62.9 Å²	62.9	56%	0.559	36%	0.355	S	S	*	.	B	Isolated β-bridge	trans	-57.5	129.8	170.9	-52	0	0	0	0	109.8
61	L	69.9	Low	72.2	Confident	19 Å²	19	64.3 Å²	64.3	10%	0.099	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-83.9	139.2	175.4	-65	170.2	0	0	0	108.8	F52 R53 C54 A59 L72 C74	F52-L61 HydrophobicContact CD1-CB 3.64Å; F52-L61 HydrophobicContact CD1-CD1 4.5Å; F52-L61 HydrophobicContact CE1-CB 3.68Å; F52-L61 HydrophobicContact CE1-CD1 4.27Å; F52-L61 HydrophobicContact CZ-CD1 4.48Å; F52-L61 PolarHBondContact O-N 2.85Å; R53-L61 VanDerWaalsContact C-CD1 3.48Å; C54-L61 HydrophobicContact CB-CD2 3.99Å; C54-L61 HydrophobicContact CB-CG 4.46Å; A59-L61 PolarHBondContact O-N 3.41Å; L61-L72 HydrophobicContact CD1-CB 3.65Å; L61-L72 HydrophobicContact CD1-CD1 4.4Å; L61-C74 HydrophobicContact CD2-CB 3.6Å
62	S	58.6	Low	72.5	Confident	80 Å²	80	62.8 Å²	62.8	56%	0.559	34%	0.343	S	S	*	.			trans	-80.5	-169.7	172.9	63.7	0	0	0	0	110.3	W64	S62-W64 PolarHBondContact O-N 2.79Å
63	H	56.3	Low	72.4	Confident	97 Å²	97	63.2 Å²	63.2	45%	0.449	34%	0.344	S	S	.	.	S	Bend	trans	-50.5	-23.2	177.8	-71.9	-97.6	0	0	0	114.7	C7 C8 W10	C7-H63 CarbonylContact C-O 3.57Å; C7-H63 VanDerWaalsContact CA-O 3.25Å; C7-H63 WeakPolarHBondContact CA-O 3.5Å; C8-H63 PolarHBondContact N-O 2.68Å; C8-H63 VanDerWaalsContact SG-CA 3.59Å; C8-H63 PolarHBondContact SG-O 2.85Å; W10-H63 AromaticContact CD1-CE1 3.41Å; W10-H63 VanDerWaalsContact CD1-CE1 3.41Å; W10-H63 AromaticContact CD1-ND1 3.71Å; W10-H63 AromaticContact NE1-CE1 3.01Å; W10-H63 PolarHBondContact NE1-CE1 2.99Å; W10-H63 AromaticContact NE1-ND1 3.4Å; W10-H63 PolarHBondContact NE1-ND1 3.36Å; W10-H63 AromaticContact NE1-NE2 3.68Å
64	W	53.2	Low	72.1	Confident	100 Å²	100	59.1 Å²	59.1	38%	0.379	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.4	-175.5	-60.4	98.4	0	0	0	111	L5 C7 S62 M580	L5-W64 HydrophobicContact CD1-CB 4.25Å; L5-W64 HydrophobicContact CD1-CE3 4.15Å; L5-W64 HydrophobicContact CD2-CD2 4.42Å; L5-W64 HydrophobicContact CD2-CE3 3.62Å; L5-W64 HydrophobicContact CD2-CH2 4.45Å; L5-W64 HydrophobicContact CD2-CZ3 3.62Å; L5-W64 HydrophobicContact CG-CE3 3.57Å; L5-W64 HydrophobicContact CG-CZ3 3.87Å; C7-W64 HydrophobicContact CB-CE3 4.17Å; C7-W64 HydrophobicContact CB-CZ3 4.31Å; S62-W64 PolarHBondContact O-N 2.79Å; W64-M580 HydrophobicContact CH2-CE 3.55Å; W64-M580 HydrophobicContact CH2-SD 3.27Å; W64-M580 WeakPolarHBondContact CH2-SD 3.33Å; W64-M580 HydrophobicContact CZ2-CE 4.42Å; W64-M580 HydrophobicContact CZ2-SD 3.57Å; W64-M580 VanDerWaalsContact CZ2-SD 3.57Å; W64-M580 HydrophobicContact CZ3-CE 3.78Å; W64-M580 HydrophobicContact CZ3-SD 4.01Å
65	Y	69.8	Low	71.6	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.016	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161.9	179.2	66.9	-77.9	0	0	0	111.1	L6 C8 A42 L43 F52 E67 L72	L6-Y65 HydrophobicContact CB-CD1 4.19Å; L6-Y65 HydrophobicContact CB-CD2 4.31Å; L6-Y65 HydrophobicContact CB-CE1 3.62Å; L6-Y65 HydrophobicContact CB-CE2 3.76Å; L6-Y65 HydrophobicContact CD1-CE2 3.83Å; L6-Y65 HydrophobicContact CG-CE2 4.45Å; L6-Y65 PolarHBondContact N-O 3.43Å; L6-Y65 WeakPolarHBondContact O-CD1 3.29Å; L6-Y65 WeakPolarHBondContact O-CE1 3.36Å; L6-Y65 PolarHBondContact O-N 3.31Å; C8-Y65 HydrophobicContact CB-CD1 4.48Å; C8-Y65 HydrophobicContact CB-CE1 4.01Å; A42-Y65 WeakPolarHBondContact CA-OH 3.4Å; A42-Y65 HydrophobicContact CB-CE1 3.98Å; A42-Y65 HydrophobicContact CB-CE2 4.43Å; A42-Y65 VanDerWaalsContact CB-OH 3.31Å; A42-Y65 WeakPolarHBondContact CB-OH 3.32Å; L43-Y65 HydrophobicContact CD2-CE2 4.07Å; L43-Y65 HydrophobicContact CG-CE2 4.11Å; L43-Y65 PolarHBondContact N-OH 2.84Å; F52-Y65 AromaticContact CE1-CD1 3.96Å; F52-Y65 HydrophobicContact CE1-CD1 3.96Å; F52-Y65 HydrophobicContact CE1-CG 4.23Å; F52-Y65 AromaticContact CZ-CD1 3.49Å; F52-Y65 HydrophobicContact CZ-CD1 3.49Å; F52-Y65 VanDerWaalsContact CZ-CD1 3.49Å; F52-Y65 HydrophobicContact CZ-CD2 4.16Å; F52-Y65 AromaticContact CZ-CE1 3.77Å; F52-Y65 HydrophobicContact CZ-CE1 3.77Å; F52-Y65 HydrophobicContact CZ-CE2 4.39Å; F52-Y65 AromaticContact CZ-CG 3.69Å; F52-Y65 HydrophobicContact CZ-CG 3.69Å; Y65-E67 HydrophobicContact CE2-CB 4.32Å; Y65-L72 HydrophobicContact CD2-CD2 3.42Å; Y65-L72 VanDerWaalsContact CD2-CD2 3.42Å; Y65-L72 HydrophobicContact CE2-CD2 3.47Å; Y65-L72 VanDerWaalsContact CE2-CD2 3.47Å; Y65-L72 HydrophobicContact CG-CD2 4.36Å
66	Y	69.9	Low	71.1	Confident	25 Å²	25	68.5 Å²	68.5	10%	0.098	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.3	171.5	-68.5	-103.2	0	0	0	108.9	L5 Y73 K75 Y78 W79	L5-Y66 HydrophobicContact CD1-CD2 4.21Å; L5-Y66 HydrophobicContact CD1-CE1 4.31Å; L5-Y66 HydrophobicContact CD1-CE2 3.66Å; Y66-Y73 PolarHBondContact N-O 3.11Å; Y66-Y73 PolarHBondContact O-N 2.83Å; Y66-K75 HydrophobicContact CD2-CB 4.31Å; Y66-K75 HydrophobicContact CE2-CB 3.74Å; Y66-K75 HydrophobicContact CE2-CG 3.95Å; Y66-Y78 VanDerWaalsContact CB-CG 3.43Å; Y66-Y78 AromaticContact CD1-CD1 3.51Å; Y66-Y78 HydrophobicContact CD1-CD1 3.51Å; Y66-Y78 HydrophobicContact CD1-CD2 4.3Å; Y66-Y78 AromaticContact CD1-CE1 3.7Å; Y66-Y78 HydrophobicContact CD1-CE1 3.7Å; Y66-Y78 HydrophobicContact CD1-CE2 4.39Å; Y66-Y78 AromaticContact CD1-CG 3.84Å; Y66-Y78 HydrophobicContact CD1-CG 3.84Å; Y66-Y78 HydrophobicContact CE1-CD1 4.16Å; Y66-Y78 HydrophobicContact CE1-CE1 4.36Å; Y66-Y78 AromaticContact CG-CD1 3.91Å; Y66-Y78 HydrophobicContact CG-CD1 3.91Å; Y66-Y78 HydrophobicContact CG-CD2 4.1Å; Y66-Y78 HydrophobicContact CG-CE1 4.42Å; Y66-Y78 AromaticContact CG-CG 3.73Å; Y66-Y78 HydrophobicContact CG-CG 3.73Å; Y66-W79 HydrophobicContact CE1-CZ2 4.23Å; Y66-W79 AromaticContact CE1-NE1 3.54Å; Y66-W79 AromaticContact CZ-NE1 3.39Å; Y66-W79 PolarHBondContact OH-NE1 2.87Å
67	E	76.8	Confident	70.8	Confident	62 Å²	62	66.3 Å²	66.3	29%	0.29	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.1	173.5	177.9	-92	140.3	0	0	111.3	L6 L43 Y65 D69 G70 R71	L6-E67 HydrophobicContact CD1-CB 3.99Å; L43-E67 HydrophobicContact CD1-CB 4.37Å; L43-E67 HydrophobicContact CD1-CG 3.71Å; L43-E67 HydrophobicContact CD2-CB 3.77Å; L43-E67 HydrophobicContact CD2-CG 3.53Å; L43-E67 HydrophobicContact CG-CG 4.24Å; Y65-E67 HydrophobicContact CE2-CB 4.32Å; E67-D69 PolarHBondContact OE1-N 3.18Å; E67-G70 PolarHBondContact OE1-N 2.69Å; E67-R71 WeakPolarHBondContact CA-O 3.41Å
68	K	68.4	Low	70.5	Confident	68 Å²	68	64.9 Å²	64.9	30%	0.296	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	134.4	163.3	-168.3	169.4	179.6	176.8	0	109.7	G70 R71 Y73 Y78 F82	K68-G70 PolarHBondContact O-N 2.91Å; K68-R71 PolarHBondContact N-O 3.32Å; K68-R71 VanDerWaalsContact N-O 3.17Å; K68-R71 WeakPolarHBondContact O-CB 3.19Å; K68-R71 PolarHBondContact O-N 2.94Å; K68-Y73 HydrophobicContact CB-CE2 4.32Å; K68-Y78 HydrophobicContact CB-CE2 3.99Å; K68-F82 HydrophobicContact CB-CD2 4.49Å; K68-F82 HydrophobicContact CB-CE2 4.28Å; K68-F82 HydrophobicContact CD-CB 4.2Å; K68-F82 HydrophobicContact CD-CD1 3.74Å; K68-F82 HydrophobicContact CD-CD2 3.78Å; K68-F82 HydrophobicContact CD-CE1 3.93Å; K68-F82 HydrophobicContact CD-CE2 3.98Å; K68-F82 HydrophobicContact CD-CG 3.63Å; K68-F82 HydrophobicContact CD-CZ 4.04Å; K68-F82 VanDerWaalsContact NZ-CD1 3.28Å
69	D	73.1	Confident	70	Confident	138 Å²	138	62.8 Å²	62.8	74%	0.738	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	37.4	178.8	-52.5	-46	0	0	0	113.4	E67 R71	E67-D69 PolarHBondContact OE1-N 3.18Å; D69-R71 VanDerWaalsContact C-N 3.33Å; D69-R71 PolarHBondContact O-N 3.12Å
70	G	67.6	Low	69.6	Low	53 Å²	53	64.1 Å²	64.1	55%	0.546	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	12.3	-179.4	0	0	0	0	0	115.1	E67 K68	E67-G70 PolarHBondContact OE1-N 2.69Å; K68-G70 PolarHBondContact O-N 2.91Å
71	R	74.6	Confident	69.4	Low	145 Å²	145	65.8 Å²	65.8	55%	0.547	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.8	-178.5	-63.3	-179.5	-177.6	-162.1	-0.2	112.1	E67 K68 D69 Y73	E67-R71 WeakPolarHBondContact CA-O 3.41Å; K68-R71 PolarHBondContact N-O 3.32Å; K68-R71 VanDerWaalsContact N-O 3.17Å; K68-R71 WeakPolarHBondContact O-CB 3.19Å; K68-R71 PolarHBondContact O-N 2.94Å; D69-R71 VanDerWaalsContact C-N 3.33Å; D69-R71 PolarHBondContact O-N 3.12Å; R71-Y73 HydrophobicContact CB-CD2 4.43Å; R71-Y73 HydrophobicContact CB-CE2 3.58Å; R71-Y73 WeakPolarHBondContact O-CD2 3.48Å
72	L	78.1	Confident	69.4	Low	4 Å²	4	67.8 Å²	67.8	2%	0.021	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129	-175.9	-56.9	172.1	0	0	0	111.1	L43 W47 F52 C55 L61 Y65	L43-L72 HydrophobicContact CD1-CD2 3.71Å; L43-L72 HydrophobicContact CG-CD2 4.32Å; W47-L72 HydrophobicContact CD2-CD1 4.42Å; W47-L72 HydrophobicContact CE3-CD1 4.2Å; W47-L72 HydrophobicContact CH2-CD1 3.69Å; W47-L72 HydrophobicContact CH2-CG 4.39Å; W47-L72 HydrophobicContact CZ2-CD1 3.9Å; W47-L72 HydrophobicContact CZ3-CD1 3.83Å; F52-L72 HydrophobicContact CD2-CD1 3.66Å; F52-L72 HydrophobicContact CE2-CD1 3.44Å; F52-L72 VanDerWaalsContact CE2-CD1 3.44Å; F52-L72 HydrophobicContact CE2-CD2 3.91Å; F52-L72 HydrophobicContact CE2-CG 4.32Å; F52-L72 HydrophobicContact CZ-CD1 4.27Å; F52-L72 HydrophobicContact CZ-CD2 4.24Å; C55-L72 PolarHBondContact N-O 2.87Å; C55-L72 PolarHBondContact SG-O 3.26Å; C55-L72 VanDerWaalsContact SG-O 3.36Å; L61-L72 HydrophobicContact CD1-CB 3.65Å; L61-L72 HydrophobicContact CD1-CD1 4.4Å; Y65-L72 HydrophobicContact CD2-CD2 3.42Å; Y65-L72 VanDerWaalsContact CD2-CD2 3.42Å; Y65-L72 HydrophobicContact CE2-CD2 3.47Å; Y65-L72 VanDerWaalsContact CE2-CD2 3.47Å; Y65-L72 HydrophobicContact CG-CD2 4.36Å
73	Y	75.6	Confident	69.7	Low	9 Å²	9	64.7 Å²	64.7	4%	0.035	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.3	-179.7	-63.2	-85.9	0	0	0	111.2	E56 Y66 K68 R71 Y78 F82	E56-Y73 HydrophobicContact CG-CD1 3.77Å; E56-Y73 HydrophobicContact CG-CE1 3.6Å; Y66-Y73 PolarHBondContact N-O 3.11Å; Y66-Y73 PolarHBondContact O-N 2.83Å; K68-Y73 HydrophobicContact CB-CE2 4.32Å; R71-Y73 HydrophobicContact CB-CD2 4.43Å; R71-Y73 HydrophobicContact CB-CE2 3.58Å; R71-Y73 WeakPolarHBondContact O-CD2 3.48Å; Y73-Y78 HydrophobicContact CD2-CD2 4.12Å; Y73-Y78 HydrophobicContact CG-CD2 4.22Å; Y73-F82 HydrophobicContact CD1-CE2 4.29Å; Y73-F82 HydrophobicContact CD2-CE2 4.05Å; Y73-F82 AromaticContact CE1-CE2 3.91Å; Y73-F82 HydrophobicContact CE1-CE2 3.91Å; Y73-F82 HydrophobicContact CE1-CZ 4.41Å; Y73-F82 AromaticContact CE2-CE2 3.65Å; Y73-F82 HydrophobicContact CE2-CE2 3.65Å; Y73-F82 HydrophobicContact CE2-CZ 4.24Å; Y73-F82 HydrophobicContact CG-CE2 4.37Å; Y73-F82 AromaticContact CZ-CE2 3.59Å; Y73-F82 AromaticContact CZ-CZ 3.92Å
74	C	73.9	Confident	70.3	Confident	26 Å²	26	64.6 Å²	64.6	18%	0.176	32%	0.319	C	S	.	.			trans	-75.1	158.2	166.2	79.8	0	0	0	0	109.5	C54 L61 K76 D77 Y78	C54-C74 HydrophobicContact CB-CB 4.13Å; C54-C74 PolarHBondContact SG-N 3.28Å; L61-C74 HydrophobicContact CD2-CB 3.6Å; C74-K76 VanDerWaalsContact C-N 3.28Å; C74-K76 PolarHBondContact O-N 2.79Å; C74-D77 PolarHBondContact O-N 2.85Å; C74-D77 PolarHBondContact SG-N 2.87Å; C74-D77 VanDerWaalsContact SG-N 3.4Å; C74-D77 PolarHBondContact SG-OD2 2.97Å; C74-Y78 VanDerWaalsContact O-CB 3.31Å; C74-Y78 WeakPolarHBondContact O-CB 3.18Å; C74-Y78 PolarHBondContact O-N 3.33Å
75	K	68.1	Low	71.4	Confident	101 Å²	101	64.6 Å²	64.6	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-45.9	-50.8	177.6	-175.6	179.3	178	-178.6	0	112.1	Y66 W79 D574	Y66-K75 HydrophobicContact CD2-CB 4.31Å; Y66-K75 HydrophobicContact CE2-CB 3.74Å; Y66-K75 HydrophobicContact CE2-CG 3.95Å; K75-W79 WeakPolarHBondContact O-CB 3.49Å; K75-W79 PolarHBondContact O-N 2.82Å; K75-D574 IonicContact NZ-OD2 3.42Å; K75-D574 PolarHBondContact NZ-OD2 3.31Å
76	K	71.9	Confident	71.8	Confident	168 Å²	168	64.4 Å²	64.4	73%	0.73	33%	0.325	S	S	*	.	H	α-helix	trans	-60.1	-51.2	-177.4	-173.3	179.8	178	-177.6	0	112.3	C74 A80	C74-K76 VanDerWaalsContact C-N 3.28Å; C74-K76 PolarHBondContact O-N 2.79Å; K76-A80 WeakPolarHBondContact O-CB 3.26Å; K76-A80 PolarHBondContact O-N 2.85Å
77	D	74.8	Confident	72.1	Confident	29 Å²	29	66.5 Å²	66.5	16%	0.155	34%	0.336	C	S	.	.	H	α-helix	trans	-75.1	-34.1	-174.6	-59.5	-19.2	0	0	0	111.8	C54 E56 C57 C74 A80 K81	C54-D77 PolarHBondContact SG-OD2 3.18Å; E56-D77 HydrophobicContact CB-CB 3.99Å; E56-D77 WeakPolarHBondContact CB-OD2 3.22Å; E56-D77 HydrophobicContact CG-CB 4.21Å; C57-D77 VanDerWaalsContact CB-OD2 3.28Å; C57-D77 WeakPolarHBondContact CB-OD2 3.45Å; C57-D77 PolarHBondContact N-OD2 2.79Å; C57-D77 PolarHBondContact SG-OD2 2.93Å; C74-D77 PolarHBondContact O-N 2.85Å; C74-D77 PolarHBondContact SG-N 2.87Å; C74-D77 VanDerWaalsContact SG-N 3.4Å; C74-D77 PolarHBondContact SG-OD2 2.97Å; D77-A80 PolarHBondContact O-N 2.78Å; D77-K81 PolarHBondContact O-N 2.98Å
78	Y	72.8	Confident	72	Confident	35 Å²	35	65.9 Å²	65.9	14%	0.137	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-53.9	173.9	-174.3	-91.3	0	0	0	111.4	Y66 K68 Y73 C74 A80 K81 F82	Y66-Y78 VanDerWaalsContact CB-CG 3.43Å; Y66-Y78 AromaticContact CD1-CD1 3.51Å; Y66-Y78 HydrophobicContact CD1-CD1 3.51Å; Y66-Y78 HydrophobicContact CD1-CD2 4.3Å; Y66-Y78 AromaticContact CD1-CE1 3.7Å; Y66-Y78 HydrophobicContact CD1-CE1 3.7Å; Y66-Y78 HydrophobicContact CD1-CE2 4.39Å; Y66-Y78 AromaticContact CD1-CG 3.84Å; Y66-Y78 HydrophobicContact CD1-CG 3.84Å; Y66-Y78 HydrophobicContact CE1-CD1 4.16Å; Y66-Y78 HydrophobicContact CE1-CE1 4.36Å; Y66-Y78 AromaticContact CG-CD1 3.91Å; Y66-Y78 HydrophobicContact CG-CD1 3.91Å; Y66-Y78 HydrophobicContact CG-CD2 4.1Å; Y66-Y78 HydrophobicContact CG-CE1 4.42Å; Y66-Y78 AromaticContact CG-CG 3.73Å; Y66-Y78 HydrophobicContact CG-CG 3.73Å; K68-Y78 HydrophobicContact CB-CE2 3.99Å; Y73-Y78 HydrophobicContact CD2-CD2 4.12Å; Y73-Y78 HydrophobicContact CG-CD2 4.22Å; C74-Y78 VanDerWaalsContact O-CB 3.31Å; C74-Y78 WeakPolarHBondContact O-CB 3.18Å; C74-Y78 PolarHBondContact O-N 3.33Å; Y78-A80 VanDerWaalsContact C-N 3.29Å; Y78-A80 PolarHBondContact O-N 2.79Å; Y78-K81 PolarHBondContact O-N 2.93Å; Y78-F82 AromaticContact CD2-CD2 3.76Å; Y78-F82 HydrophobicContact CD2-CD2 3.76Å; Y78-F82 HydrophobicContact CD2-CE2 4.41Å; Y78-F82 HydrophobicContact CE1-CB 4.44Å; Y78-F82 AromaticContact CE2-CD2 3.96Å; Y78-F82 HydrophobicContact CE2-CD2 3.96Å; Y78-F82 HydrophobicContact CG-CD2 4.28Å; Y78-F82 WeakPolarHBondContact O-CA 3.49Å; Y78-F82 WeakPolarHBondContact O-CB 3.38Å; Y78-F82 PolarHBondContact O-N 3Å
79	W	68	Low	72.6	Confident	27 Å²	27	65 Å²	65	10%	0.102	35%	0.348	C	S	.	.	H	α-helix	trans	-69.2	-28	-179.7	-72.8	108.8	0	0	0	112.3	L3 Y66 K75 G83 I93 T94	L3-W79 HydrophobicContact CD2-CH2 3.68Å; L3-W79 HydrophobicContact CD2-CZ2 3.74Å; Y66-W79 HydrophobicContact CE1-CZ2 4.23Å; Y66-W79 AromaticContact CE1-NE1 3.54Å; Y66-W79 AromaticContact CZ-NE1 3.39Å; Y66-W79 PolarHBondContact OH-NE1 2.87Å; K75-W79 WeakPolarHBondContact O-CB 3.49Å; K75-W79 PolarHBondContact O-N 2.82Å; W79-G83 VanDerWaalsContact CE3-CA 3.44Å; W79-G83 VanDerWaalsContact O-CA 3.29Å; W79-G83 WeakPolarHBondContact O-CA 3.21Å; W79-G83 PolarHBondContact O-N 3.11Å; W79-G83 VanDerWaalsContact O-N 3.08Å; W79-I93 VanDerWaalsContact CE3-O 3.23Å; W79-I93 VanDerWaalsContact CH2-O 3.25Å; W79-I93 WeakPolarHBondContact CH2-O 3.46Å; W79-I93 WeakPolarHBondContact CZ3-O 3.41Å; W79-T94 HydrophobicContact CB-CG2 3.91Å; W79-T94 HydrophobicContact CG-CG2 4.11Å
80	A	68.3	Low	72.8	Confident	76 Å²	76	64 Å²	64	63%	0.628	34%	0.342	S	S	*	.	H	α-helix	trans	-70.1	-30.7	172.6	0	0	0	0	0	114	K76 D77 Y78	K76-A80 WeakPolarHBondContact O-CB 3.26Å; K76-A80 PolarHBondContact O-N 2.85Å; D77-A80 PolarHBondContact O-N 2.78Å; Y78-A80 VanDerWaalsContact C-N 3.29Å; Y78-A80 PolarHBondContact O-N 2.79Å
81	K	67.5	Low	73.2	Confident	116 Å²	116	66.2 Å²	66.2	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-98.2	-30.2	179.9	-74.3	-160.5	174.5	-168.7	0	115.2	E56 D77 Y78	E56-K81 VanDerWaalsContact CD-CE 3.41Å; E56-K81 HydrophobicContact CG-CD 4.4Å; E56-K81 WeakPolarHBondContact OE1-CE 3.39Å; E56-K81 IonicContact OE1-NZ 2.72Å; E56-K81 PolarHBondContact OE1-NZ 3.5Å; E56-K81 VanDerWaalsContact OE2-CE 3.24Å; E56-K81 WeakPolarHBondContact OE2-CE 3.36Å; E56-K81 IonicContact OE2-NZ 3.79Å; E56-K81 PolarHBondContact OE2-NZ 2.84Å; D77-K81 PolarHBondContact O-N 2.98Å; Y78-K81 PolarHBondContact O-N 2.93Å
82	F	70.7	Confident	73.1	Confident	61 Å²	61	61.4 Å²	61.4	27%	0.268	33%	0.329	S	S	.	.	H	α-helix	trans	-132.9	0.3	-169	-49.8	-57.6	0	0	0	113.8	K68 Y73 Y78 E84	K68-F82 HydrophobicContact CB-CD2 4.49Å; K68-F82 HydrophobicContact CB-CE2 4.28Å; K68-F82 HydrophobicContact CD-CB 4.2Å; K68-F82 HydrophobicContact CD-CD1 3.74Å; K68-F82 HydrophobicContact CD-CD2 3.78Å; K68-F82 HydrophobicContact CD-CE1 3.93Å; K68-F82 HydrophobicContact CD-CE2 3.98Å; K68-F82 HydrophobicContact CD-CG 3.63Å; K68-F82 HydrophobicContact CD-CZ 4.04Å; K68-F82 VanDerWaalsContact NZ-CD1 3.28Å; Y73-F82 HydrophobicContact CD1-CE2 4.29Å; Y73-F82 HydrophobicContact CD2-CE2 4.05Å; Y73-F82 AromaticContact CE1-CE2 3.91Å; Y73-F82 HydrophobicContact CE1-CE2 3.91Å; Y73-F82 HydrophobicContact CE1-CZ 4.41Å; Y73-F82 AromaticContact CE2-CE2 3.65Å; Y73-F82 HydrophobicContact CE2-CE2 3.65Å; Y73-F82 HydrophobicContact CE2-CZ 4.24Å; Y73-F82 HydrophobicContact CG-CE2 4.37Å; Y73-F82 AromaticContact CZ-CE2 3.59Å; Y73-F82 AromaticContact CZ-CZ 3.92Å; Y78-F82 AromaticContact CD2-CD2 3.76Å; Y78-F82 HydrophobicContact CD2-CD2 3.76Å; Y78-F82 HydrophobicContact CD2-CE2 4.41Å; Y78-F82 HydrophobicContact CE1-CB 4.44Å; Y78-F82 AromaticContact CE2-CD2 3.96Å; Y78-F82 HydrophobicContact CE2-CD2 3.96Å; Y78-F82 HydrophobicContact CG-CD2 4.28Å; Y78-F82 WeakPolarHBondContact O-CA 3.49Å; Y78-F82 WeakPolarHBondContact O-CB 3.38Å; Y78-F82 PolarHBondContact O-N 3Å; F82-E84 PolarHBondContact O-N 3.28Å
83	G	64.2	Low	72.7	Confident	15 Å²	15	61.4 Å²	61.4	16%	0.155	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-63.4	132.8	175.1	0	0	0	0	0	111.2	W79	W79-G83 VanDerWaalsContact CE3-CA 3.44Å; W79-G83 VanDerWaalsContact O-CA 3.29Å; W79-G83 WeakPolarHBondContact O-CA 3.21Å; W79-G83 PolarHBondContact O-N 3.11Å; W79-G83 VanDerWaalsContact O-N 3.08Å
84	E	70	Confident	71.9	Confident	95 Å²	95	64.6 Å²	64.6	44%	0.444	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-66.2	133.7	168	-63.4	178.8	139.6	0	0	108.4	F82 I93 K105	F82-E84 PolarHBondContact O-N 3.28Å; E84-I93 WeakPolarHBondContact O-CG1 3.44Å; E84-I93 PolarHBondContact O-N 3.37Å; E84-K105 IonicContact OE1-NZ 3.94Å; E84-K105 PolarHBondContact OE1-NZ 2.9Å; E84-K105 WeakPolarHBondContact OE2-CD 3.48Å; E84-K105 IonicContact OE2-NZ 3.49Å; E84-K105 PolarHBondContact OE2-NZ 2.96Å
85	L	75.9	Confident	71	Confident	99 Å²	99	66.2 Å²	66.2	52%	0.518	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-82.5	141.5	179.1	-56.3	-177.3	0	0	0	109.9	H87 P92	L85-H87 PolarHBondContact O-N 3.46Å; L85-P92 HydrophobicContact CD2-CB 4.35Å; L85-P92 HydrophobicContact CD2-CG 3.95Å
86	C	76.9	Confident	70.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-71.6	125.2	171.4	171.3	0	0	0	0	110.5	G88 C89 N90 D91 I93 H107 C110	C86-G88 PolarHBondContact O-N 2.8Å; C86-G88 VanDerWaalsContact O-N 3.12Å; C86-G88 PolarHBondContact SG-N 2.85Å; C86-C89 PolarHBondContact O-N 3.39Å; C86-N90 VanDerWaalsContact O-CA 3.23Å; C86-N90 WeakPolarHBondContact O-CA 3.04Å; C86-N90 PolarHBondContact O-N 3.49Å; C86-D91 WeakPolarHBondContact CB-O 3.45Å; C86-D91 PolarHBondContact N-O 2.83Å; C86-I93 HydrophobicContact CB-CD1 4.23Å; C86-I93 HydrophobicContact CB-CG1 3.82Å; C86-H107 WeakPolarHBondContact CB-CE1 3.41Å; C86-H107 WeakPolarHBondContact CB-ND1 2.95Å; C86-H107 PolarHBondContact SG-N 2.85Å; C86-H107 PolarHBondContact SG-ND1 2.86Å; C86-C110 WeakPolarHBondContact SG-CB 3.32Å; C86-C110 VanDerWaalsContact SG-SG 3.6Å
87	H	77.8	Confident	69.2	Low	70 Å²	70	63.9 Å²	63.9	32%	0.324	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.8	177.3	-170.2	101.4	0	0	0	113.2	L85 Q104 K105 Y106	L85-H87 PolarHBondContact O-N 3.46Å; H87-Q104 HydrophobicContact CB-CB 4.33Å; H87-Q104 PolarHBondContact CE1-NE2 3.48Å; H87-Q104 PolarHBondContact ND1-NE2 3.11Å; H87-Q104 PolarHBondContact ND1-OE1 3.46Å; H87-K105 PolarHBondContact N-O 3.49Å; H87-Y106 HydrophobicContact CB-CD1 4.09Å; H87-Y106 HydrophobicContact CB-CE1 3.68Å; H87-Y106 HydrophobicContact CB-CE2 4.44Å; H87-Y106 AromaticContact CD2-CE1 3.83Å; H87-Y106 AromaticContact CD2-CZ 3.92Å; H87-Y106 PolarHBondContact CD2-OH 3.46Å
88	G	74.4	Confident	68.9	Low	48 Å²	48	66.1 Å²	66.1	50%	0.495	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-30.5	-178.8	0	0	0	0	0	115.7	C86	C86-G88 PolarHBondContact O-N 2.8Å; C86-G88 VanDerWaalsContact O-N 3.12Å; C86-G88 PolarHBondContact SG-N 2.85Å
89	C	79.7	Confident	68.7	Low	51 Å²	51	66 Å²	66	35%	0.345	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-7.5	-178	64.6	0	0	0	0	115.2	C86 D91 H107 C110	C86-C89 PolarHBondContact O-N 3.39Å; C89-D91 PolarHBondContact O-N 3.47Å; C89-D91 PolarHBondContact SG-N 3.32Å; C89-D91 VanDerWaalsContact SG-N 3.43Å; C89-H107 PolarHBondContact SG-CE1 2.97Å; C89-H107 PolarHBondContact SG-ND1 2.98Å; C89-H107 VanDerWaalsContact SG-ND1 3.41Å; C89-C110 VanDerWaalsContact SG-SG 3.66Å
90	N	77.3	Confident	68.8	Low	116 Å²	116	67.8 Å²	67.8	62%	0.62	41%	0.405	S	S	*	.			trans	60.2	7.6	-169.8	-74.1	-29.9	0	0	0	116.3	C86	C86-N90 VanDerWaalsContact O-CA 3.23Å; C86-N90 WeakPolarHBondContact O-CA 3.04Å; C86-N90 PolarHBondContact O-N 3.49Å
91	D	77.1	Confident	68.9	Low	99 Å²	99	64.2 Å²	64.2	53%	0.529	38%	0.375	S	S	.	.	S	Bend	trans	-79.3	151.3	170.9	-61.8	-53	0	0	0	111.5	C86 C89 H107	C86-D91 WeakPolarHBondContact CB-O 3.45Å; C86-D91 PolarHBondContact N-O 2.83Å; C89-D91 PolarHBondContact O-N 3.47Å; C89-D91 PolarHBondContact SG-N 3.32Å; C89-D91 VanDerWaalsContact SG-N 3.43Å; D91-H107 PolarHBondContact O-CE1 3.22Å
92	P	72.4	Confident	69	Low	44 Å²	44	60.4 Å²	60.4	29%	0.286	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-61.2	137.5	175.6	-22.4	33.3	0	0	0	113.1	L85 T94 H107	L85-P92 HydrophobicContact CD2-CB 4.35Å; L85-P92 HydrophobicContact CD2-CG 3.95Å; P92-T94 VanDerWaalsContact C-N 3.3Å; P92-T94 HydrophobicContact CB-CG2 4.33Å; P92-T94 PolarHBondContact O-N 3.42Å; P92-H107 PolarHBondContact O-NE2 2.83Å
93	I	68.6	Low	69	Low	4 Å²	4	66.2 Å²	66.2	2%	0.021	40%	0.397	C	S	.	.			trans	-78.4	78.3	176.2	-55.3	171	0	0	0	110.1	W79 E84 C86 T95 I98 K105 H107	W79-I93 VanDerWaalsContact CE3-O 3.23Å; W79-I93 VanDerWaalsContact CH2-O 3.25Å; W79-I93 WeakPolarHBondContact CH2-O 3.46Å; W79-I93 WeakPolarHBondContact CZ3-O 3.41Å; E84-I93 WeakPolarHBondContact O-CG1 3.44Å; E84-I93 PolarHBondContact O-N 3.37Å; C86-I93 HydrophobicContact CB-CD1 4.23Å; C86-I93 HydrophobicContact CB-CG1 3.82Å; I93-T95 PolarHBondContact O-N 2.8Å; I93-I98 HydrophobicContact CG2-CG2 3.58Å; I93-K105 HydrophobicContact CD1-CB 3.85Å; I93-H107 WeakPolarHBondContact CA-NE2 3.2Å
94	T	59.3	Low	69.5	Low	77 Å²	77	68.2 Å²	68.2	47%	0.472	40%	0.402	S	S	.	.			trans	-75.4	-5.6	-178.8	59	0	0	0	0	114.7	W79 P92	W79-T94 HydrophobicContact CB-CG2 3.91Å; W79-T94 HydrophobicContact CG-CG2 4.11Å; P92-T94 VanDerWaalsContact C-N 3.3Å; P92-T94 HydrophobicContact CB-CG2 4.33Å; P92-T94 PolarHBondContact O-N 3.42Å
95	T	55.6	Low	69.8	Low	60 Å²	60	66.7 Å²	66.7	37%	0.368	39%	0.394	S	S	.	.	S	Bend	trans	-101.2	145.8	-175.3	47.1	0	0	0	0	111.7	I93 L97	I93-T95 PolarHBondContact O-N 2.8Å; T95-L97 PolarHBondContact O-N 3.17Å
96	G	52.4	Low	69.7	Low	86 Å²	86	62.3 Å²	62.3	89%	0.887	37%	0.371	S	S	*	.	S	Bend	trans	-76.8	-3.9	-178.8	0	0	0	0	0	115.5
97	L	50	Low	69.4	Low	133 Å²	133	62.9 Å²	62.9	70%	0.696	37%	0.373	S	S	*	.			trans	-104.1	122.6	174.5	-66.4	172.1	0	0	0	108	T95 P108	T95-L97 PolarHBondContact O-N 3.17Å; L97-P108 HydrophobicContact CB-CG 4.01Å; L97-P108 VanDerWaalsContact O-CD 3.29Å; L97-P108 WeakPolarHBondContact O-CD 3.41Å
98	I	67.5	Low	69.1	Low	76 Å²	76	60.8 Å²	60.8	39%	0.39	37%	0.366	S	S	.	.			trans	-130.4	142.4	-178.3	71.9	176.3	0	0	0	109.7	I93 V100 K105	I93-I98 HydrophobicContact CG2-CG2 3.58Å; I98-V100 HydrophobicContact CD1-CG2 4.18Å; I98-V100 HydrophobicContact CG1-CG2 4.2Å; I98-K105 HydrophobicContact CD1-CD 4.46Å
99	M	68.8	Low	69	Low	32 Å²	32	64.2 Å²	64.2	16%	0.158	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138.3	169.7	-62.8	-62.9	-72.8	0	0	109	K105 Y106 P108 F111	M99-K105 WeakPolarHBondContact O-CA 3.44Å; M99-Y106 PolarHBondContact N-O 2.83Å; M99-Y106 PolarHBondContact O-N 3.12Å; M99-P108 HydrophobicContact CG-CB 4.33Å; M99-F111 HydrophobicContact CB-CB 3.67Å; M99-F111 HydrophobicContact CB-CD1 3.91Å; M99-F111 HydrophobicContact CB-CD2 3.61Å; M99-F111 HydrophobicContact CB-CE1 4.44Å; M99-F111 HydrophobicContact CB-CE2 4.17Å; M99-F111 HydrophobicContact CB-CG 3.46Å; M99-F111 VanDerWaalsContact CB-CG 3.46Å; M99-F111 HydrophobicContact CE-CD1 3.46Å; M99-F111 VanDerWaalsContact CE-CD1 3.46Å; M99-F111 HydrophobicContact CE-CE1 3.67Å; M99-F111 HydrophobicContact CE-CG 4.24Å; M99-F111 HydrophobicContact CG-CB 3.76Å; M99-F111 HydrophobicContact CG-CD1 4.08Å; M99-F111 HydrophobicContact CG-CG 3.89Å
100	V	70.6	Confident	68.7	Low	66 Å²	66	63 Å²	63	40%	0.4	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.9	-176.5	-173.1	0	0	0	0	109.4	I98 G102 Q104 K105 Y126	I98-V100 HydrophobicContact CD1-CG2 4.18Å; I98-V100 HydrophobicContact CG1-CG2 4.2Å; V100-G102 WeakPolarHBondContact CG1-O 3.43Å; V100-Q104 WeakPolarHBondContact CA-O 3.34Å; V100-K105 HydrophobicContact CG2-CG 4.42Å; V100-Y126 PolarHBondContact O-OH 3.47Å
101	A	70.3	Confident	68.9	Low	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	114.5	168.5	0	0	0	0	0	109.6	E103 Q104 Y106 F111 Y126 L128 L134	A101-E103 PolarHBondContact O-N 3.08Å; A101-Q104 PolarHBondContact N-O 2.96Å; A101-Q104 PolarHBondContact O-N 2.02Å; A101-Y106 HydrophobicContact CB-CE2 4.31Å; A101-F111 HydrophobicContact CB-CE2 3.65Å; A101-F111 HydrophobicContact CB-CZ 3.93Å; A101-Y126 WeakPolarHBondContact CA-OH 3.26Å; A101-Y126 HydrophobicContact CB-CD2 4.3Å; A101-Y126 HydrophobicContact CB-CE2 3.53Å; A101-L128 HydrophobicContact CB-CB 4.32Å; A101-L128 HydrophobicContact CB-CD2 4.17Å; A101-L128 WeakPolarHBondContact O-CD2 3.39Å; A101-L134 HydrophobicContact CB-CD1 4.15Å
102	G	70.6	Confident	69	Low	36 Å²	36	54.6 Å²	54.6	37%	0.371	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-122.1	-169.1	0	0	0	0	0	110.7	V100	V100-G102 WeakPolarHBondContact CG1-O 3.43Å
103	E	69.3	Low	69.4	Low	183 Å²	183	52.5 Å²	52.5	86%	0.855	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-12.3	177	-61.3	177.2	169	0	0	113.4	A101	A101-E103 PolarHBondContact O-N 3.08Å
104	Q	75.1	Confident	70.1	Confident	57 Å²	57	56 Å²	56	27%	0.266	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.8	-172.9	-58.1	-62.6	-5.9	0	0	112	H87 V100 A101 Y106 L128 R131	H87-Q104 HydrophobicContact CB-CB 4.33Å; H87-Q104 PolarHBondContact CE1-NE2 3.48Å; H87-Q104 PolarHBondContact ND1-NE2 3.11Å; H87-Q104 PolarHBondContact ND1-OE1 3.46Å; V100-Q104 WeakPolarHBondContact CA-O 3.34Å; A101-Q104 PolarHBondContact N-O 2.96Å; A101-Q104 PolarHBondContact O-N 2.02Å; Q104-Y106 HydrophobicContact CB-CD2 4.45Å; Q104-Y106 HydrophobicContact CB-CE2 3.53Å; Q104-L128 HydrophobicContact CG-CD2 4.37Å; Q104-R131 PolarHBondContact NE2-O 2.67Å
105	K	75.7	Confident	71.1	Confident	63 Å²	63	56.4 Å²	56.4	27%	0.274	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.3	178.8	-63	177.6	179.8	177.8	0	110.7	E84 H87 I93 I98 M99 V100	E84-K105 IonicContact OE1-NZ 3.94Å; E84-K105 PolarHBondContact OE1-NZ 2.9Å; E84-K105 WeakPolarHBondContact OE2-CD 3.48Å; E84-K105 IonicContact OE2-NZ 3.49Å; E84-K105 PolarHBondContact OE2-NZ 2.96Å; H87-K105 PolarHBondContact N-O 3.49Å; I93-K105 HydrophobicContact CD1-CB 3.85Å; I98-K105 HydrophobicContact CD1-CD 4.46Å; M99-K105 WeakPolarHBondContact O-CA 3.44Å; V100-K105 HydrophobicContact CG2-CG 4.42Å
106	Y	74.1	Confident	72.1	Confident	7 Å²	7	56.5 Å²	56.5	3%	0.027	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.6	-178	-55.9	-102.8	0	0	0	109.1	H87 M99 A101 Q104 F111	H87-Y106 HydrophobicContact CB-CD1 4.09Å; H87-Y106 HydrophobicContact CB-CE1 3.68Å; H87-Y106 HydrophobicContact CB-CE2 4.44Å; H87-Y106 AromaticContact CD2-CE1 3.83Å; H87-Y106 AromaticContact CD2-CZ 3.92Å; H87-Y106 PolarHBondContact CD2-OH 3.46Å; M99-Y106 PolarHBondContact N-O 2.83Å; M99-Y106 PolarHBondContact O-N 3.12Å; A101-Y106 HydrophobicContact CB-CE2 4.31Å; Q104-Y106 HydrophobicContact CB-CD2 4.45Å; Q104-Y106 HydrophobicContact CB-CE2 3.53Å; Y106-F111 HydrophobicContact CD1-CD2 4.46Å; Y106-F111 AromaticContact CD2-CD2 3.51Å; Y106-F111 HydrophobicContact CD2-CD2 3.51Å; Y106-F111 AromaticContact CD2-CE2 3.81Å; Y106-F111 HydrophobicContact CD2-CE2 3.81Å; Y106-F111 HydrophobicContact CE2-CD2 4.1Å; Y106-F111 HydrophobicContact CE2-CE2 4.07Å; Y106-F111 AromaticContact CG-CD2 3.73Å; Y106-F111 HydrophobicContact CG-CD2 3.73Å; Y106-F111 HydrophobicContact CG-CE2 4.47Å
107	H	71.8	Confident	73.3	Confident	12 Å²	12	61 Å²	61	6%	0.056	32%	0.315	C	S	.	.			trans	-57.1	150.1	154.8	-51.1	102.7	0	0	0	108.4	C86 C89 D91 P92 I93 E109 C110 F111	C86-H107 WeakPolarHBondContact CB-CE1 3.41Å; C86-H107 WeakPolarHBondContact CB-ND1 2.95Å; C86-H107 PolarHBondContact SG-N 2.85Å; C86-H107 PolarHBondContact SG-ND1 2.86Å; C89-H107 PolarHBondContact SG-CE1 2.97Å; C89-H107 PolarHBondContact SG-ND1 2.98Å; C89-H107 VanDerWaalsContact SG-ND1 3.41Å; D91-H107 PolarHBondContact O-CE1 3.22Å; P92-H107 PolarHBondContact O-NE2 2.83Å; I93-H107 WeakPolarHBondContact CA-NE2 3.2Å; H107-E109 VanDerWaalsContact C-N 3.3Å; H107-E109 VanDerWaalsContact CB-CD 3.44Å; H107-E109 HydrophobicContact CB-CG 3.94Å; H107-E109 IonicContact CG-OE1 3Å; H107-E109 PolarHBondContact O-N 2.86Å; H107-C110 HydrophobicContact CB-CB 4.22Å; H107-C110 WeakPolarHBondContact O-CB 3.49Å; H107-C110 PolarHBondContact O-N 2.98Å; H107-F111 PolarHBondContact O-N 2.81Å
108	P	69.8	Low	74.1	Confident	26 Å²	26	56.6 Å²	56.6	17%	0.169	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-47.9	-53.9	173.4	-27.6	35.6	0	0	0	111.6	L97 M99 C110 F111 F119	L97-P108 HydrophobicContact CB-CG 4.01Å; L97-P108 VanDerWaalsContact O-CD 3.29Å; L97-P108 WeakPolarHBondContact O-CD 3.41Å; M99-P108 HydrophobicContact CG-CB 4.33Å; P108-C110 PolarHBondContact O-N 2.9Å; P108-F111 WeakPolarHBondContact O-CB 3.48Å; P108-F111 PolarHBondContact O-N 3.06Å; P108-F119 HydrophobicContact CB-CE2 4.1Å; P108-F119 HydrophobicContact CB-CZ 4.06Å; P108-F119 WeakPolarHBondContact O-CD2 3.47Å; P108-F119 WeakPolarHBondContact O-CE2 3.35Å
109	E	72.4	Confident	74.3	Confident	121 Å²	121	57.3 Å²	57.3	57%	0.565	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-57.8	-22.1	179.6	58.4	-90	-153.6	0	0	114.9	H107	H107-E109 VanDerWaalsContact C-N 3.3Å; H107-E109 VanDerWaalsContact CB-CD 3.44Å; H107-E109 HydrophobicContact CB-CG 3.94Å; H107-E109 IonicContact CG-OE1 3Å; H107-E109 PolarHBondContact O-N 2.86Å
110	C	73.8	Confident	74.6	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.176	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-92.1	-13.8	177.7	-71.4	0	0	0	0	113.3	C86 C89 H107 P108 S112	C86-C110 WeakPolarHBondContact SG-CB 3.32Å; C86-C110 VanDerWaalsContact SG-SG 3.6Å; C89-C110 VanDerWaalsContact SG-SG 3.66Å; H107-C110 HydrophobicContact CB-CB 4.22Å; H107-C110 WeakPolarHBondContact O-CB 3.49Å; H107-C110 PolarHBondContact O-N 2.98Å; P108-C110 PolarHBondContact O-N 2.9Å; C110-S112 VanDerWaalsContact C-N 3.26Å; C110-S112 PolarHBondContact O-N 2.82Å
111	F	82.1	Confident	74.3	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	28%	0.282	C	S	.	.			trans	-78.1	75	179.5	-157.9	-112.3	0	0	0	110.7	M99 A101 Y106 H107 P108 I120 Y126 L134	M99-F111 HydrophobicContact CB-CB 3.67Å; M99-F111 HydrophobicContact CB-CD1 3.91Å; M99-F111 HydrophobicContact CB-CD2 3.61Å; M99-F111 HydrophobicContact CB-CE1 4.44Å; M99-F111 HydrophobicContact CB-CE2 4.17Å; M99-F111 HydrophobicContact CB-CG 3.46Å; M99-F111 VanDerWaalsContact CB-CG 3.46Å; M99-F111 HydrophobicContact CE-CD1 3.46Å; M99-F111 VanDerWaalsContact CE-CD1 3.46Å; M99-F111 HydrophobicContact CE-CE1 3.67Å; M99-F111 HydrophobicContact CE-CG 4.24Å; M99-F111 HydrophobicContact CG-CB 3.76Å; M99-F111 HydrophobicContact CG-CD1 4.08Å; M99-F111 HydrophobicContact CG-CG 3.89Å; A101-F111 HydrophobicContact CB-CE2 3.65Å; A101-F111 HydrophobicContact CB-CZ 3.93Å; Y106-F111 HydrophobicContact CD1-CD2 4.46Å; Y106-F111 AromaticContact CD2-CD2 3.51Å; Y106-F111 HydrophobicContact CD2-CD2 3.51Å; Y106-F111 AromaticContact CD2-CE2 3.81Å; Y106-F111 HydrophobicContact CD2-CE2 3.81Å; Y106-F111 HydrophobicContact CE2-CD2 4.1Å; Y106-F111 HydrophobicContact CE2-CE2 4.07Å; Y106-F111 AromaticContact CG-CD2 3.73Å; Y106-F111 HydrophobicContact CG-CD2 3.73Å; Y106-F111 HydrophobicContact CG-CE2 4.47Å; H107-F111 PolarHBondContact O-N 2.81Å; P108-F111 WeakPolarHBondContact O-CB 3.48Å; P108-F111 PolarHBondContact O-N 3.06Å; F111-I120 HydrophobicContact CD1-CB 3.69Å; F111-I120 HydrophobicContact CD1-CG2 4.03Å; F111-I120 WeakPolarHBondContact CD1-O 3.26Å; F111-I120 HydrophobicContact CE1-CB 3.85Å; F111-I120 HydrophobicContact CE1-CG2 3.67Å; F111-I120 PolarHBondContact O-N 3.5Å; F111-Y126 HydrophobicContact CE1-CD1 4.08Å; F111-Y126 HydrophobicContact CE1-CE1 4.32Å; F111-Y126 HydrophobicContact CE1-CG 4.49Å; F111-Y126 AromaticContact CZ-CD1 4Å; F111-Y126 HydrophobicContact CZ-CD1 4Å; F111-Y126 HydrophobicContact CZ-CD2 4.41Å; F111-Y126 AromaticContact CZ-CE1 3.96Å; F111-Y126 HydrophobicContact CZ-CE1 3.96Å; F111-Y126 HydrophobicContact CZ-CE2 4.41Å; F111-Y126 HydrophobicContact CZ-CG 4.23Å; F111-L134 HydrophobicContact CD1-CD2 4.2Å; F111-L134 HydrophobicContact CD2-CD2 3.42Å; F111-L134 VanDerWaalsContact CD2-CD2 3.42Å; F111-L134 HydrophobicContact CE1-CD2 4.26Å; F111-L134 HydrophobicContact CE2-CD1 3.97Å; F111-L134 HydrophobicContact CE2-CD2 3.51Å; F111-L134 HydrophobicContact CE2-CG 4.41Å; F111-L134 HydrophobicContact CG-CD2 3.8Å; F111-L134 HydrophobicContact CZ-CD1 3.98Å; F111-L134 HydrophobicContact CZ-CD2 3.94Å
112	S	79.7	Confident	73.8	Confident	37 Å²	37	61.2 Å²	61.2	26%	0.259	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-129.7	147.2	-173.4	66.1	0	0	0	0	113	C110 L114 A118	C110-S112 VanDerWaalsContact C-N 3.26Å; C110-S112 PolarHBondContact O-N 2.82Å; S112-L114 PolarHBondContact O-N 3.12Å; S112-A118 CarbonylContact C-O 3.47Å; S112-A118 VanDerWaalsContact CA-O 3.26Å; S112-A118 WeakPolarHBondContact CA-O 3.31Å; S112-A118 WeakPolarHBondContact CB-O 3.43Å
113	C	80.8	Confident	73.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.318	C	S	.	.			trans	-65.9	124.9	176.8	174.5	0	0	0	0	111.1	N115 C116 R117 A118 I120 L134 C136	C113-N115 PolarHBondContact O-N 3.23Å; C113-N115 VanDerWaalsContact O-N 3.17Å; C113-C116 VanDerWaalsContact CB-SG 3.55Å; C113-C116 PolarHBondContact SG-SG 2.78Å; C113-R117 WeakPolarHBondContact O-CA 3.45Å; C113-R117 PolarHBondContact O-N 2.88Å; C113-A118 PolarHBondContact N-O 3.47Å; C113-I120 HydrophobicContact CB-CD1 4.44Å; C113-L134 CarbonylContact C-O 3.46Å; C113-L134 WeakPolarHBondContact CA-O 3.32Å; C113-C136 HydrophobicContact CB-CB 4.09Å; C113-C136 PolarHBondContact SG-N 3.37Å; C113-C136 VanDerWaalsContact SG-N 3.39Å
114	L	82.8	Confident	73.2	Confident	76 Å²	76	56.2 Å²	56.2	40%	0.398	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-33	-179.1	-172.8	63	0	0	0	113.1	S112 R117 K133 L134 Y135	S112-L114 PolarHBondContact O-N 3.12Å; L114-R117 PolarHBondContact O-NE 3.29Å; L114-R117 VanDerWaalsContact O-NE 3.08Å; L114-K133 HydrophobicContact CD2-CB 4.1Å; L114-K133 HydrophobicContact CD2-CG 4.12Å; L114-L134 WeakPolarHBondContact CB-O 3.48Å; L114-L134 PolarHBondContact N-O 2.87Å; L114-Y135 HydrophobicContact CB-CE1 4.4Å
115	N	80.2	Confident	73	Confident	87 Å²	87	56.6 Å²	56.6	47%	0.465	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-62	-177.9	-170.2	49	0	0	0	113.1	C113 Y135 C139	C113-N115 PolarHBondContact O-N 3.23Å; C113-N115 VanDerWaalsContact O-N 3.17Å; N115-Y135 HydrophobicContact CB-CD1 3.98Å; N115-Y135 HydrophobicContact CB-CE1 3.99Å; N115-C139 HydrophobicContact CB-CB 4.09Å; N115-C139 PolarHBondContact ND2-SG 3.1Å
116	C	77.1	Confident	73.3	Confident	62 Å²	62	54.5 Å²	54.5	42%	0.419	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.9	-175.5	64.9	0	0	0	0	114.5	C113 A118	C113-C116 VanDerWaalsContact CB-SG 3.55Å; C113-C116 PolarHBondContact SG-SG 2.78Å; C116-A118 PolarHBondContact O-N 3.26Å; C116-A118 VanDerWaalsContact SG-CB 3.53Å
117	R	77.7	Confident	73.5	Confident	179 Å²	179	54.2 Å²	54.2	68%	0.675	30%	0.295	S	S	*	.			trans	56.8	15.9	-174.9	-54.2	-59.9	-179.3	128.5	2	114.6	C113 L114	C113-R117 WeakPolarHBondContact O-CA 3.45Å; C113-R117 PolarHBondContact O-N 2.88Å; L114-R117 PolarHBondContact O-NE 3.29Å; L114-R117 VanDerWaalsContact O-NE 3.08Å
118	A	66.1	Low	73.9	Confident	41 Å²	41	53.8 Å²	53.8	34%	0.339	29%	0.293	S	S	.	.			trans	-70.4	135.6	169.2	0	0	0	0	0	110	S112 C113 C116	S112-A118 CarbonylContact C-O 3.47Å; S112-A118 VanDerWaalsContact CA-O 3.26Å; S112-A118 WeakPolarHBondContact CA-O 3.31Å; S112-A118 WeakPolarHBondContact CB-O 3.43Å; C113-A118 PolarHBondContact N-O 3.47Å; C116-A118 PolarHBondContact O-N 3.26Å; C116-A118 VanDerWaalsContact SG-CB 3.53Å
119	F	72.3	Confident	74.4	Confident	91 Å²	91	52.7 Å²	52.7	40%	0.399	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-60	147.1	165	-177.1	-79.3	0	0	0	109.7	P108	P108-F119 HydrophobicContact CB-CE2 4.1Å; P108-F119 HydrophobicContact CB-CZ 4.06Å; P108-F119 WeakPolarHBondContact O-CD2 3.47Å; P108-F119 WeakPolarHBondContact O-CE2 3.35Å
120	I	73.5	Confident	74.6	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.281	C	S	.	.			trans	-111	119.4	177	-60.3	177.7	0	0	0	107.5	F111 C113 D124 Y126 L134 C136	F111-I120 HydrophobicContact CD1-CB 3.69Å; F111-I120 HydrophobicContact CD1-CG2 4.03Å; F111-I120 WeakPolarHBondContact CD1-O 3.26Å; F111-I120 HydrophobicContact CE1-CB 3.85Å; F111-I120 HydrophobicContact CE1-CG2 3.67Å; F111-I120 PolarHBondContact O-N 3.5Å; C113-I120 HydrophobicContact CB-CD1 4.44Å; I120-D124 HydrophobicContact CG2-CB 3.8Å; I120-Y126 HydrophobicContact CG2-CD1 4.26Å; I120-Y126 HydrophobicContact CG2-CG 4.49Å; I120-L134 HydrophobicContact CD1-CD1 4.4Å; I120-L134 HydrophobicContact CD1-CD2 4.04Å; I120-L134 HydrophobicContact CD1-CG 3.91Å; I120-C136 HydrophobicContact CD1-CB 4.02Å; I120-C136 HydrophobicContact CG1-CB 4.07Å
121	G	65.3	Low	74.4	Confident	18 Å²	18	57.8 Å²	57.8	19%	0.186	30%	0.301	C	S	.	.			trans	-73.2	167.8	-178.2	0	0	0	0	0	114.8	G123 D124	G121-G123 PolarHBondContact O-N 3.45Å; G121-D124 WeakPolarHBondContact CA-OD2 3.23Å; G121-D124 PolarHBondContact N-OD2 3.48Å; G121-D124 WeakPolarHBondContact O-CB 3.12Å; G121-D124 PolarHBondContact O-N 3.19Å; G121-D124 VanDerWaalsContact O-N 3.15Å
122	D	60.1	Low	74	Confident	161 Å²	161	60.1 Å²	60.1	86%	0.861	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	123.4	165.1	-177.9	24.8	0	0	0	109.6	D124	D122-D124 VanDerWaalsContact C-N 3.34Å
123	G	58.7	Low	74	Confident	27 Å²	27	61.9 Å²	61.9	28%	0.278	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-5.6	-173.1	0	0	0	0	0	116.6	G121 S166	G121-G123 PolarHBondContact O-N 3.45Å; G123-S166 PolarHBondContact O-OG 3.41Å
124	D	67.8	Low	74	Confident	87 Å²	87	62.2 Å²	62.2	47%	0.465	32%	0.322	S	S	.	.			trans	-71.3	144.4	173.6	-80.8	-21	0	0	0	111.3	I120 G121 D122	I120-D124 HydrophobicContact CG2-CB 3.8Å; G121-D124 WeakPolarHBondContact CA-OD2 3.23Å; G121-D124 PolarHBondContact N-OD2 3.48Å; G121-D124 WeakPolarHBondContact O-CB 3.12Å; G121-D124 PolarHBondContact O-N 3.19Å; G121-D124 VanDerWaalsContact O-N 3.15Å; D122-D124 VanDerWaalsContact C-N 3.34Å
125	T	71.8	Confident	73.8	Confident	65 Å²	65	60 Å²	60	40%	0.399	31%	0.308	S	S	.	.			trans	-73.4	132.2	178.1	58.8	0	0	0	0	111.4	G137 L164	T125-G137 PolarHBondContact O-N 3.46Å; T125-L164 WeakPolarHBondContact CA-O 3.48Å; T125-L164 VanDerWaalsContact CB-O 3.32Å; T125-L164 WeakPolarHBondContact CB-O 3.07Å; T125-L164 WeakPolarHBondContact CG2-O 3.32Å
126	Y	81.3	Confident	73.7	Confident	19 Å²	19	56.9 Å²	56.9	8%	0.075	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	164.4	179.1	71.4	-101	0	0	0	111.8	V100 A101 F111 I120 L134 Y135 T163 L164	V100-Y126 PolarHBondContact O-OH 3.47Å; A101-Y126 WeakPolarHBondContact CA-OH 3.26Å; A101-Y126 HydrophobicContact CB-CD2 4.3Å; A101-Y126 HydrophobicContact CB-CE2 3.53Å; F111-Y126 HydrophobicContact CE1-CD1 4.08Å; F111-Y126 HydrophobicContact CE1-CE1 4.32Å; F111-Y126 HydrophobicContact CE1-CG 4.49Å; F111-Y126 AromaticContact CZ-CD1 4Å; F111-Y126 HydrophobicContact CZ-CD1 4Å; F111-Y126 HydrophobicContact CZ-CD2 4.41Å; F111-Y126 AromaticContact CZ-CE1 3.96Å; F111-Y126 HydrophobicContact CZ-CE1 3.96Å; F111-Y126 HydrophobicContact CZ-CE2 4.41Å; F111-Y126 HydrophobicContact CZ-CG 4.23Å; I120-Y126 HydrophobicContact CG2-CD1 4.26Å; I120-Y126 HydrophobicContact CG2-CG 4.49Å; Y126-L134 HydrophobicContact CD2-CD1 3.76Å; Y126-L134 HydrophobicContact CE2-CD1 4.43Å; Y126-L134 HydrophobicContact CG-CD1 4.25Å; Y126-Y135 CarbonylContact C-O 3.59Å; Y126-Y135 VanDerWaalsContact CA-O 3.31Å; Y126-Y135 WeakPolarHBondContact CA-O 3.2Å; Y126-Y135 WeakPolarHBondContact CB-O 3.34Å; Y126-T163 CarbonylContact O-C 3.59Å; Y126-T163 WeakPolarHBondContact O-CA 3.24Å; Y126-L164 HydrophobicContact CD1-CB 3.7Å; Y126-L164 HydrophobicContact CD1-CD2 4.11Å; Y126-L164 HydrophobicContact CE1-CB 3.5Å; Y126-L164 VanDerWaalsContact CE1-CB 3.5Å; Y126-L164 HydrophobicContact CE1-CD2 3.76Å; Y126-L164 HydrophobicContact CE1-CG 4.27Å; Y126-L164 HydrophobicContact CG-CB 4.33Å; Y126-L164 PolarHBondContact O-N 3.48Å
127	A	78.9	Confident	73.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122	170.4	0	0	0	0	0	109.7	Y135 Y140 V162 T163	A127-Y135 PolarHBondContact N-O 3.42Å; A127-Y135 PolarHBondContact O-N 2.96Å; A127-Y140 HydrophobicContact CB-CD1 3.75Å; A127-Y140 HydrophobicContact CB-CD2 3.44Å; A127-Y140 VanDerWaalsContact CB-CD2 3.44Å; A127-Y140 HydrophobicContact CB-CE1 4.25Å; A127-Y140 HydrophobicContact CB-CE2 4.01Å; A127-Y140 HydrophobicContact CB-CG 3.3Å; A127-V162 CarbonylContact C-O 3.58Å; A127-V162 WeakPolarHBondContact CA-O 3.44Å; A127-T163 HydrophobicContact CB-CG2 3.78Å
128	L	80.4	Confident	73.3	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	102.1	167	-175.4	70.7	0	0	0	108.2	A101 Q104 L134 T161 V162	A101-L128 HydrophobicContact CB-CB 4.32Å; A101-L128 HydrophobicContact CB-CD2 4.17Å; A101-L128 WeakPolarHBondContact O-CD2 3.39Å; Q104-L128 HydrophobicContact CG-CD2 4.37Å; L128-L134 HydrophobicContact CB-CD1 4.47Å; L128-L134 HydrophobicContact CD1-CB 4.3Å; L128-L134 HydrophobicContact CD1-CD1 4.31Å; L128-T161 WeakPolarHBondContact O-CA 3.43Å; L128-V162 HydrophobicContact CB-CB 4.44Å; L128-V162 PolarHBondContact N-O 3.19Å; L128-V162 PolarHBondContact O-N 3.36Å
129	V	79.7	Confident	73.7	Confident	2 Å²	2	51 Å²	51	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.3	178.2	-178	0	0	0	0	109.6	R131 S132 K133 Y135 Y140 I144 P159 T161	V129-R131 PolarHBondContact O-N 2.88Å; V129-R131 VanDerWaalsContact O-N 3.11Å; V129-S132 PolarHBondContact O-N 3.13Å; V129-K133 HydrophobicContact CB-CB 4.28Å; V129-K133 PolarHBondContact N-O 3.18Å; V129-K133 WeakPolarHBondContact O-CB 3.18Å; V129-K133 PolarHBondContact O-N 3.4Å; V129-Y135 HydrophobicContact CB-CD2 4.1Å; V129-Y135 HydrophobicContact CB-CE2 3.92Å; V129-Y135 HydrophobicContact CG2-CD2 3.54Å; V129-Y135 HydrophobicContact CG2-CE2 3.75Å; V129-Y140 HydrophobicContact CG2-CD2 4.01Å; V129-Y140 HydrophobicContact CG2-CE2 4.18Å; V129-I144 HydrophobicContact CG2-CG1 4.34Å; V129-P159 HydrophobicContact CG1-CB 4.09Å; V129-P159 HydrophobicContact CG1-CG 3.65Å; V129-T161 HydrophobicContact CB-CG2 4.21Å; V129-T161 HydrophobicContact CG1-CG2 4.31Å; V129-T161 HydrophobicContact CG2-CG2 3.73Å
130	E	76.1	Confident	73.9	Confident	99 Å²	99	47.2 Å²	47.2	46%	0.463	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	40.3	178.2	-65.9	168.1	-152.5	0	0	112.7	S132 K133 P159 H160	E130-S132 PolarHBondContact O-N 2.9Å; E130-S132 PolarHBondContact O-OG 3.37Å; E130-K133 IonicContact OE1-NZ 3.94Å; E130-K133 PolarHBondContact OE1-NZ 3.45Å; E130-K133 VanDerWaalsContact OE2-CE 3.31Å; E130-K133 WeakPolarHBondContact OE2-CE 3.33Å; E130-K133 IonicContact OE2-NZ 2.71Å; E130-K133 PolarHBondContact OE2-NZ 3.09Å; E130-P159 HydrophobicContact CG-CB 4.48Å; E130-H160 PolarHBondContact N-O 3.05Å
131	R	70.2	Confident	73.7	Confident	155 Å²	155	51.7 Å²	51.7	59%	0.585	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	11	174.9	-50.8	-179.9	-175.5	-175.3	-2.4	116.3	Q104 V129 H160	Q104-R131 PolarHBondContact NE2-O 2.67Å; V129-R131 PolarHBondContact O-N 2.88Å; V129-R131 VanDerWaalsContact O-N 3.11Å; R131-H160 VanDerWaalsContact CG-ND1 3.32Å; R131-H160 WeakPolarHBondContact CG-ND1 2.91Å; R131-H160 PolarHBondContact NE-CE1 3.37Å; R131-H160 VanDerWaalsContact NE-CE1 3.32Å; R131-H160 PolarHBondContact NE-ND1 2.75Å
132	S	72.7	Confident	74	Confident	50 Å²	50	56.2 Å²	56.2	35%	0.35	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153	-34.4	-170.4	55.3	0	0	0	0	114.5	V129 E130 L134	V129-S132 PolarHBondContact O-N 3.13Å; E130-S132 PolarHBondContact O-N 2.9Å; E130-S132 PolarHBondContact O-OG 3.37Å; S132-L134 PolarHBondContact O-N 3.21Å
133	K	80.7	Confident	74.3	Confident	75 Å²	75	51.4 Å²	51.4	33%	0.326	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	97.6	-175.6	-59.1	169.8	-179.8	166.7	0	110	L114 V129 E130 Y135	L114-K133 HydrophobicContact CD2-CB 4.1Å; L114-K133 HydrophobicContact CD2-CG 4.12Å; V129-K133 HydrophobicContact CB-CB 4.28Å; V129-K133 PolarHBondContact N-O 3.18Å; V129-K133 WeakPolarHBondContact O-CB 3.18Å; V129-K133 PolarHBondContact O-N 3.4Å; E130-K133 IonicContact OE1-NZ 3.94Å; E130-K133 PolarHBondContact OE1-NZ 3.45Å; E130-K133 VanDerWaalsContact OE2-CE 3.31Å; E130-K133 WeakPolarHBondContact OE2-CE 3.33Å; E130-K133 IonicContact OE2-NZ 2.71Å; E130-K133 PolarHBondContact OE2-NZ 3.09Å; K133-Y135 HydrophobicContact CB-CD2 4.4Å; K133-Y135 HydrophobicContact CB-CE2 3.62Å; K133-Y135 WeakPolarHBondContact O-CD2 3.4Å; K133-Y135 WeakPolarHBondContact O-CE2 3.34Å
134	L	81.7	Confident	74.7	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.7	178.8	-169.6	67.3	0	0	0	111.6	A101 F111 C113 L114 I120 Y126 L128 S132	A101-L134 HydrophobicContact CB-CD1 4.15Å; F111-L134 HydrophobicContact CD1-CD2 4.2Å; F111-L134 HydrophobicContact CD2-CD2 3.42Å; F111-L134 VanDerWaalsContact CD2-CD2 3.42Å; F111-L134 HydrophobicContact CE1-CD2 4.26Å; F111-L134 HydrophobicContact CE2-CD1 3.97Å; F111-L134 HydrophobicContact CE2-CD2 3.51Å; F111-L134 HydrophobicContact CE2-CG 4.41Å; F111-L134 HydrophobicContact CG-CD2 3.8Å; F111-L134 HydrophobicContact CZ-CD1 3.98Å; F111-L134 HydrophobicContact CZ-CD2 3.94Å; C113-L134 CarbonylContact C-O 3.46Å; C113-L134 WeakPolarHBondContact CA-O 3.32Å; L114-L134 WeakPolarHBondContact CB-O 3.48Å; L114-L134 PolarHBondContact N-O 2.87Å; I120-L134 HydrophobicContact CD1-CD1 4.4Å; I120-L134 HydrophobicContact CD1-CD2 4.04Å; I120-L134 HydrophobicContact CD1-CG 3.91Å; Y126-L134 HydrophobicContact CD2-CD1 3.76Å; Y126-L134 HydrophobicContact CE2-CD1 4.43Å; Y126-L134 HydrophobicContact CG-CD1 4.25Å; L128-L134 HydrophobicContact CB-CD1 4.47Å; L128-L134 HydrophobicContact CD1-CB 4.3Å; L128-L134 HydrophobicContact CD1-CD1 4.31Å; S132-L134 PolarHBondContact O-N 3.21Å
135	Y	77.1	Confident	74.6	Confident	28 Å²	28	47.4 Å²	47.4	11%	0.11	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.1	173.7	-63.6	-94.9	0	0	0	110.1	L114 N115 Y126 A127 V129 K133 C139	L114-Y135 HydrophobicContact CB-CE1 4.4Å; N115-Y135 HydrophobicContact CB-CD1 3.98Å; N115-Y135 HydrophobicContact CB-CE1 3.99Å; Y126-Y135 CarbonylContact C-O 3.59Å; Y126-Y135 VanDerWaalsContact CA-O 3.31Å; Y126-Y135 WeakPolarHBondContact CA-O 3.2Å; Y126-Y135 WeakPolarHBondContact CB-O 3.34Å; A127-Y135 PolarHBondContact N-O 3.42Å; A127-Y135 PolarHBondContact O-N 2.96Å; V129-Y135 HydrophobicContact CB-CD2 4.1Å; V129-Y135 HydrophobicContact CB-CE2 3.92Å; V129-Y135 HydrophobicContact CG2-CD2 3.54Å; V129-Y135 HydrophobicContact CG2-CE2 3.75Å; K133-Y135 HydrophobicContact CB-CD2 4.4Å; K133-Y135 HydrophobicContact CB-CE2 3.62Å; K133-Y135 WeakPolarHBondContact O-CD2 3.4Å; K133-Y135 WeakPolarHBondContact O-CE2 3.34Å; Y135-C139 HydrophobicContact CD1-CB 4.42Å
136	C	79.3	Confident	74.2	Confident	23 Å²	23	47 Å²	47	16%	0.155	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	155.1	166.3	66.7	0	0	0	0	110.1	C113 I120 H138 C139 Y140	C113-C136 HydrophobicContact CB-CB 4.09Å; C113-C136 PolarHBondContact SG-N 3.37Å; C113-C136 VanDerWaalsContact SG-N 3.39Å; I120-C136 HydrophobicContact CD1-CB 4.02Å; I120-C136 HydrophobicContact CG1-CB 4.07Å; C136-H138 VanDerWaalsContact C-N 3.25Å; C136-H138 PolarHBondContact O-N 2.78Å; C136-H138 VanDerWaalsContact O-N 3.11Å; C136-C139 PolarHBondContact O-N 2.9Å; C136-Y140 WeakPolarHBondContact O-CB 3.45Å; C136-Y140 PolarHBondContact O-N 3.38Å
137	G	70.2	Confident	73.1	Confident	18 Å²	18	49.7 Å²	49.7	19%	0.186	25%	0.248	C	C	.	.	H	α-helix	trans	-51.1	-40.1	-174.9	0	0	0	0	0	114.2	T125 Y141	T125-G137 PolarHBondContact O-N 3.46Å; G137-Y141 WeakPolarHBondContact O-CB 3.49Å; G137-Y141 PolarHBondContact O-N 2.87Å
138	H	74.8	Confident	72	Confident	134 Å²	134	51.4 Å²	51.4	62%	0.62	26%	0.259	S	S	*	.	H	α-helix	trans	-65	-46.2	176.4	-176.4	-73.3	0	0	0	113.1	C136 Y141 Q142	C136-H138 VanDerWaalsContact C-N 3.25Å; C136-H138 PolarHBondContact O-N 2.78Å; C136-H138 VanDerWaalsContact O-N 3.11Å; H138-Y141 PolarHBondContact O-N 2.8Å; H138-Q142 PolarHBondContact CE1-OE1 2.85Å; H138-Q142 VanDerWaalsContact CE1-OE1 3.28Å; H138-Q142 WeakPolarHBondContact O-CB 3.47Å; H138-Q142 PolarHBondContact O-N 2.86Å
139	C	75.3	Confident	70.6	Confident	7 Å²	7	55.2 Å²	55.2	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-73.1	-34.5	178.7	-72.7	0	0	0	0	112.2	N115 Y135 C136 T143	N115-C139 HydrophobicContact CB-CB 4.09Å; N115-C139 PolarHBondContact ND2-SG 3.1Å; Y135-C139 HydrophobicContact CD1-CB 4.42Å; C136-C139 PolarHBondContact O-N 2.9Å; C139-T143 WeakPolarHBondContact O-CB 3.45Å; C139-T143 PolarHBondContact O-N 2.78Å; C139-T143 PolarHBondContact O-OG1 2.76Å
140	Y	77.1	Confident	69.1	Low	10 Å²	10	60.6 Å²	60.6	4%	0.039	31%	0.314	C	S	.	.	H	α-helix	trans	-57.2	-52.7	170.4	171.9	-115.9	0	0	0	110.5	A127 V129 C136 I144 V145 I158 T161 T163	A127-Y140 HydrophobicContact CB-CD1 3.75Å; A127-Y140 HydrophobicContact CB-CD2 3.44Å; A127-Y140 VanDerWaalsContact CB-CD2 3.44Å; A127-Y140 HydrophobicContact CB-CE1 4.25Å; A127-Y140 HydrophobicContact CB-CE2 4.01Å; A127-Y140 HydrophobicContact CB-CG 3.3Å; V129-Y140 HydrophobicContact CG2-CD2 4.01Å; V129-Y140 HydrophobicContact CG2-CE2 4.18Å; C136-Y140 WeakPolarHBondContact O-CB 3.45Å; C136-Y140 PolarHBondContact O-N 3.38Å; Y140-I144 HydrophobicContact CD2-CB 3.8Å; Y140-I144 HydrophobicContact CD2-CG1 3.9Å; Y140-I144 HydrophobicContact CD2-CG2 4.23Å; Y140-I144 HydrophobicContact CE2-CB 3.83Å; Y140-I144 HydrophobicContact CE2-CG1 4.31Å; Y140-I144 HydrophobicContact CE2-CG2 3.78Å; Y140-I144 WeakPolarHBondContact O-CA 3.33Å; Y140-I144 VanDerWaalsContact O-CB 3.28Å; Y140-I144 WeakPolarHBondContact O-CB 3.18Å; Y140-I144 PolarHBondContact O-N 3.36Å; Y140-V145 HydrophobicContact CD1-CG2 4.08Å; Y140-V145 HydrophobicContact CE1-CG2 3.56Å; Y140-V145 HydrophobicContact CE2-CG2 4.15Å; Y140-V145 PolarHBondContact O-N 3.21Å; Y140-I158 WeakPolarHBondContact OH-CG2 3.38Å; Y140-T161 HydrophobicContact CE2-CG2 3.75Å; Y140-T163 HydrophobicContact CE1-CG2 4.24Å
141	Y	69.2	Low	67.7	Low	96 Å²	96	61.6 Å²	61.6	38%	0.376	33%	0.329	S	S	.	.	I	π-helix	trans	-59.2	-52.7	178.2	-175.4	-109.2	0	0	0	111.9	G137 H138 T143 V145 T146 N220	G137-Y141 WeakPolarHBondContact O-CB 3.49Å; G137-Y141 PolarHBondContact O-N 2.87Å; H138-Y141 PolarHBondContact O-N 2.8Å; Y141-T143 PolarHBondContact O-N 2.97Å; Y141-V145 HydrophobicContact CD2-CB 3.76Å; Y141-V145 HydrophobicContact CD2-CG1 3.9Å; Y141-V145 HydrophobicContact CD2-CG2 4.27Å; Y141-V145 HydrophobicContact CE2-CB 4.17Å; Y141-V145 HydrophobicContact CE2-CG1 3.88Å; Y141-V145 PolarHBondContact O-N 3.15Å; Y141-T146 PolarHBondContact O-N 2.78Å; Y141-T146 PolarHBondContact O-OG1 2.93Å; Y141-T146 VanDerWaalsContact O-OG1 3.05Å; Y141-N220 HydrophobicContact CD2-CB 4.13Å; Y141-N220 HydrophobicContact CE2-CB 3.59Å; Y141-N220 VanDerWaalsContact CE2-ND2 3.31Å; Y141-N220 WeakPolarHBondContact CE2-ND2 3.29Å; Y141-N220 PolarHBondContact OH-ND2 2.8Å
142	Q	71.6	Confident	66.3	Low	114 Å²	114	61.8 Å²	61.8	53%	0.533	34%	0.342	S	S	.	.	I	π-helix	trans	-68.3	-34.1	-174.8	-168.5	176.1	19.7	0	0	114.2	H138	H138-Q142 PolarHBondContact CE1-OE1 2.85Å; H138-Q142 VanDerWaalsContact CE1-OE1 3.28Å; H138-Q142 WeakPolarHBondContact O-CB 3.47Å; H138-Q142 PolarHBondContact O-N 2.86Å
143	T	66.5	Low	64.8	Low	59 Å²	59	63.1 Å²	63.1	36%	0.362	35%	0.351	S	S	.	.	I	π-helix	trans	-101.9	-26.2	-171.6	-53.5	0	0	0	0	113.4	C139 Y141	C139-T143 WeakPolarHBondContact O-CB 3.45Å; C139-T143 PolarHBondContact O-N 2.78Å; C139-T143 PolarHBondContact O-OG1 2.76Å; Y141-T143 PolarHBondContact O-N 2.97Å
144	I	66.9	Low	63	Low	27 Å²	27	65.3 Å²	65.3	14%	0.138	37%	0.373	C	S	.	.	I	π-helix	trans	-112.6	-43.3	-176.7	-49.2	-61.7	0	0	0	111.7	V129 Y140 V148 P159	V129-I144 HydrophobicContact CG2-CG1 4.34Å; Y140-I144 HydrophobicContact CD2-CB 3.8Å; Y140-I144 HydrophobicContact CD2-CG1 3.9Å; Y140-I144 HydrophobicContact CD2-CG2 4.23Å; Y140-I144 HydrophobicContact CE2-CB 3.83Å; Y140-I144 HydrophobicContact CE2-CG1 4.31Å; Y140-I144 HydrophobicContact CE2-CG2 3.78Å; Y140-I144 WeakPolarHBondContact O-CA 3.33Å; Y140-I144 VanDerWaalsContact O-CB 3.28Å; Y140-I144 WeakPolarHBondContact O-CB 3.18Å; Y140-I144 PolarHBondContact O-N 3.36Å; I144-V148 WeakPolarHBondContact O-CG2 3.48Å; I144-P159 HydrophobicContact CG2-CG 3.8Å
145	V	65.8	Low	61.5	Low	3 Å²	3	73.2 Å²	73.2	2%	0.018	41%	0.409	C	S	.	.	I	π-helix	trans	-84.8	-54.7	-174.9	-173.8	0	0	0	0	112.1	Y140 Y141 P147 V148 S149 N220	Y140-V145 HydrophobicContact CD1-CG2 4.08Å; Y140-V145 HydrophobicContact CE1-CG2 3.56Å; Y140-V145 HydrophobicContact CE2-CG2 4.15Å; Y140-V145 PolarHBondContact O-N 3.21Å; Y141-V145 HydrophobicContact CD2-CB 3.76Å; Y141-V145 HydrophobicContact CD2-CG1 3.9Å; Y141-V145 HydrophobicContact CD2-CG2 4.27Å; Y141-V145 HydrophobicContact CE2-CB 4.17Å; Y141-V145 HydrophobicContact CE2-CG1 3.88Å; Y141-V145 PolarHBondContact O-N 3.15Å; V145-P147 VanDerWaalsContact C-CD 3.46Å; V145-V148 WeakPolarHBondContact O-CB 3.5Å; V145-V148 PolarHBondContact O-N 2.66Å; V145-S149 PolarHBondContact O-N 2.92Å; V145-S149 VanDerWaalsContact O-N 3.14Å; V145-S149 PolarHBondContact O-OG 3.3Å; V145-N220 HydrophobicContact CG1-CB 4.32Å
146	T	63.1	Low	60.3	Low	58 Å²	58	75 Å²	75	36%	0.356	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-39.4	-176.5	-57.7	0	0	0	0	114.5	Y141 V148	Y141-T146 PolarHBondContact O-N 2.78Å; Y141-T146 PolarHBondContact O-OG1 2.93Å; Y141-T146 VanDerWaalsContact O-OG1 3.05Å; T146-V148 VanDerWaalsContact C-N 3.31Å; T146-V148 PolarHBondContact O-N 2.67Å
147	P	57.8	Low	59.5	Low	74 Å²	74	80.6 Å²	80.6	48%	0.481	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.2	176.4	-19.3	34.1	0	0	0	113.7	V145	V145-P147 VanDerWaalsContact C-CD 3.46Å
148	V	56.5	Low	59.2	Low	37 Å²	37	80.8 Å²	80.8	22%	0.224	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-26.4	-177.5	173.6	0	0	0	0	111.3	I144 V145 T146 L150 S156 I158	I144-V148 WeakPolarHBondContact O-CG2 3.48Å; V145-V148 WeakPolarHBondContact O-CB 3.5Å; V145-V148 PolarHBondContact O-N 2.66Å; T146-V148 VanDerWaalsContact C-N 3.31Å; T146-V148 PolarHBondContact O-N 2.67Å; V148-L150 VanDerWaalsContact C-N 3.29Å; V148-L150 PolarHBondContact O-N 2.89Å; V148-S156 VanDerWaalsContact O-CB 3.29Å; V148-S156 WeakPolarHBondContact O-CB 3.38Å; V148-I158 HydrophobicContact CG1-CG1 4.13Å
149	S	50.2	Low	59	Low	83 Å²	83	75.9 Å²	75.9	58%	0.58	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	5.1	178.3	-49.2	0	0	0	0	115.5	V145	V145-S149 PolarHBondContact O-N 2.92Å; V145-S149 VanDerWaalsContact O-N 3.14Å; V145-S149 PolarHBondContact O-OG 3.3Å
150	L	48.4	Very low	59.1	Low	116 Å²	116	76.7 Å²	76.7	61%	0.607	42%	0.423	S	S	*	.	S	Bend	trans	-89.2	138.4	177.1	-74	166.7	0	0	0	111.1	V148 D152	V148-L150 VanDerWaalsContact C-N 3.29Å; V148-L150 PolarHBondContact O-N 2.89Å; L150-D152 VanDerWaalsContact C-N 3.33Å; L150-D152 PolarHBondContact O-N 2.97Å; L150-D152 VanDerWaalsContact O-N 3.12Å
151	P	46.7	Very low	59.2	Low	119 Å²	119	76.3 Å²	76.3	77%	0.773	42%	0.422	S	S	*	.	S	Bend	trans	-71.3	-9.9	-162.7	-23.1	35.8	0	0	0	118.2
152	D	40.7	Very low	59.6	Low	160 Å²	160	72.2 Å²	72.2	86%	0.856	41%	0.407	S	S	*	.	S	Bend	trans	-115.7	54.7	-162.3	-68.1	-49.1	0	0	0	114.4	L150	L150-D152 VanDerWaalsContact C-N 3.33Å; L150-D152 PolarHBondContact O-N 2.97Å; L150-D152 VanDerWaalsContact O-N 3.12Å
153	S	40.3	Very low	60	Low	78 Å²	78	67.3 Å²	67.3	55%	0.545	39%	0.385	S	S	.	.			trans	-152.7	135.7	165.3	-172.8	0	0	0	0	113.2	H155	S153-H155 VanDerWaalsContact C-N 3.26Å; S153-H155 PolarHBondContact O-N 3.2Å; S153-H155 VanDerWaalsContact O-N 3.09Å
154	P	44.8	Very low	60.5	Low	120 Å²	120	65.6 Å²	65.6	78%	0.779	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-1.2	-170.6	-20	33.8	0	0	0	117.5
155	H	50.2	Low	61.2	Low	174 Å²	174	64.7 Å²	64.7	81%	0.806	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	47.1	-176.6	-67.1	-60	0	0	0	113.3	S153 R157	S153-H155 VanDerWaalsContact C-N 3.26Å; S153-H155 PolarHBondContact O-N 3.2Å; S153-H155 VanDerWaalsContact O-N 3.09Å; H155-R157 VanDerWaalsContact C-N 3.28Å; H155-R157 PolarHBondContact O-N 2.94Å
156	S	51.3	Low	61.7	Low	66 Å²	66	65.9 Å²	65.9	46%	0.462	38%	0.378	S	S	.	.			trans	-78.2	65.1	173.3	44.2	0	0	0	0	113.2	V148	V148-S156 VanDerWaalsContact O-CB 3.29Å; V148-S156 WeakPolarHBondContact O-CB 3.38Å
157	R	61.9	Low	62.3	Low	140 Å²	140	63.6 Å²	63.6	53%	0.528	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-101.5	136.4	165.9	-68.9	-168.2	-173.5	168.8	7.2	110.9	H155 E267	H155-R157 VanDerWaalsContact C-N 3.28Å; H155-R157 PolarHBondContact O-N 2.94Å; R157-E267 IonicContact CZ-OE1 2.68Å; R157-E267 VanDerWaalsContact CZ-OE1 3.24Å; R157-E267 IonicContact NH1-OE1 2.93Å; R157-E267 PolarHBondContact NH1-OE1 3.4Å; R157-E267 IonicContact NH1-OE2 3.26Å; R157-E267 PolarHBondContact NH1-OE2 3.46Å; R157-E267 IonicContact NH2-OE1 2.68Å; R157-E267 PolarHBondContact NH2-OE1 2.94Å
158	I	64.6	Low	62.8	Low	21 Å²	21	63.2 Å²	63.2	11%	0.108	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-68.2	133.5	170.6	-59.4	175.2	0	0	0	107.6	Y140 V148 P263	Y140-I158 WeakPolarHBondContact OH-CG2 3.38Å; V148-I158 HydrophobicContact CG1-CG1 4.13Å; I158-P263 WeakPolarHBondContact O-CG 3.44Å
159	P	70.7	Confident	63.5	Low	32 Å²	32	64.1 Å²	64.1	21%	0.208	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-66.3	167.9	178.3	27	-35.3	0	0	0	112.3	V129 E130 I144 T161	V129-P159 HydrophobicContact CG1-CB 4.09Å; V129-P159 HydrophobicContact CG1-CG 3.65Å; E130-P159 HydrophobicContact CG-CB 4.48Å; I144-P159 HydrophobicContact CG2-CG 3.8Å; P159-T161 HydrophobicContact CG-CG2 4.47Å; P159-T161 WeakPolarHBondContact O-CG2 3.36Å; P159-T161 PolarHBondContact O-N 3.49Å; P159-T161 VanDerWaalsContact O-N 3.16Å
160	H	76.3	Confident	64.1	Low	23 Å²	23	63.7 Å²	63.7	11%	0.106	37%	0.369	C	S	.	.	S	Bend	trans	-55	123.4	172.4	177.9	-111.8	0	0	0	109.8	E130 R131 E260 H261	E130-H160 PolarHBondContact N-O 3.05Å; R131-H160 VanDerWaalsContact CG-ND1 3.32Å; R131-H160 WeakPolarHBondContact CG-ND1 2.91Å; R131-H160 PolarHBondContact NE-CE1 3.37Å; R131-H160 VanDerWaalsContact NE-CE1 3.32Å; R131-H160 PolarHBondContact NE-ND1 2.75Å; H160-E260 IonicContact CD2-OE1 3.49Å; H160-E260 IonicContact CE1-OE1 3.58Å; H160-E260 IonicContact NE2-OE1 2.84Å; H160-E260 PolarHBondContact NE2-OE1 2.79Å; H160-H261 WeakPolarHBondContact CA-O 3.41Å; H160-H261 PolarHBondContact CD2-O 3.49Å
161	T	79	Confident	64.2	Low	3 Å²	3	61.6 Å²	61.6	2%	0.018	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.1	-176.2	50.4	0	0	0	0	112.2	L128 V129 Y140 P159 E260 H261	L128-T161 WeakPolarHBondContact O-CA 3.43Å; V129-T161 HydrophobicContact CB-CG2 4.21Å; V129-T161 HydrophobicContact CG1-CG2 4.31Å; V129-T161 HydrophobicContact CG2-CG2 3.73Å; Y140-T161 HydrophobicContact CE2-CG2 3.75Å; P159-T161 HydrophobicContact CG-CG2 4.47Å; P159-T161 WeakPolarHBondContact O-CG2 3.36Å; P159-T161 PolarHBondContact O-N 3.49Å; P159-T161 VanDerWaalsContact O-N 3.16Å; T161-E260 WeakPolarHBondContact O-CA 3.2Å; T161-H261 PolarHBondContact N-O 3.1Å; T161-H261 PolarHBondContact O-N 2.86Å
162	V	78	Confident	64.2	Low	9 Å²	9	64.7 Å²	64.7	6%	0.055	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.1	165.5	-178.7	0	0	0	0	108.3	A127 L128 L229 T258 I259 E260	A127-V162 CarbonylContact C-O 3.58Å; A127-V162 WeakPolarHBondContact CA-O 3.44Å; L128-V162 HydrophobicContact CB-CB 4.44Å; L128-V162 PolarHBondContact N-O 3.19Å; L128-V162 PolarHBondContact O-N 3.36Å; V162-L229 HydrophobicContact CG1-CD1 4.27Å; V162-T258 HydrophobicContact CG1-CG2 4.02Å; V162-I259 CarbonylContact C-O 3.46Å; V162-I259 VanDerWaalsContact CA-O 3.26Å; V162-I259 WeakPolarHBondContact CA-O 3.41Å; V162-E260 HydrophobicContact CG2-CB 4.34Å; V162-E260 HydrophobicContact CG2-CG 4.31Å
163	T	80	Confident	64.6	Low	11 Å²	11	60.2 Å²	60.2	7%	0.067	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.8	-173.8	64.3	0	0	0	0	112.2	Y126 A127 Y140 T258 I259	Y126-T163 CarbonylContact O-C 3.59Å; Y126-T163 WeakPolarHBondContact O-CA 3.24Å; A127-T163 HydrophobicContact CB-CG2 3.78Å; Y140-T163 HydrophobicContact CE1-CG2 4.24Å; T163-T258 CarbonylContact O-C 3.55Å; T163-T258 WeakPolarHBondContact O-CA 3.24Å; T163-I259 PolarHBondContact N-O 2.89Å; T163-I259 PolarHBondContact O-N 2.95Å
164	L	78.1	Confident	64.6	Low	24 Å²	24	64.1 Å²	64.1	13%	0.126	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	120.2	165.7	179.9	62.8	0	0	0	108.8	T125 Y126	T125-L164 WeakPolarHBondContact CA-O 3.48Å; T125-L164 VanDerWaalsContact CB-O 3.32Å; T125-L164 WeakPolarHBondContact CB-O 3.07Å; T125-L164 WeakPolarHBondContact CG2-O 3.32Å; Y126-L164 HydrophobicContact CD1-CB 3.7Å; Y126-L164 HydrophobicContact CD1-CD2 4.11Å; Y126-L164 HydrophobicContact CE1-CB 3.5Å; Y126-L164 VanDerWaalsContact CE1-CB 3.5Å; Y126-L164 HydrophobicContact CE1-CD2 3.76Å; Y126-L164 HydrophobicContact CE1-CG 4.27Å; Y126-L164 HydrophobicContact CG-CB 4.33Å; Y126-L164 PolarHBondContact O-N 3.48Å
165	V	80.7	Confident	64.7	Low	7 Å²	7	64.8 Å²	64.8	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.9	-173.3	-179.4	0	0	0	0	110.1	I167 V218 I222 Q256 L257 I259	V165-I167 HydrophobicContact CG1-CG1 4.11Å; V165-V218 HydrophobicContact CG1-CG1 3.43Å; V165-V218 VanDerWaalsContact CG1-CG1 3.43Å; V165-I222 HydrophobicContact CG1-CD1 4.25Å; V165-I222 HydrophobicContact CG1-CG1 4.38Å; V165-Q256 CarbonylContact O-C 3.58Å; V165-Q256 WeakPolarHBondContact O-CA 3.46Å; V165-L257 PolarHBondContact N-O 3.33Å; V165-L257 PolarHBondContact O-N 2.87Å; V165-I259 HydrophobicContact CB-CD1 4.33Å; V165-I259 HydrophobicContact CG2-CD1 4.02Å
166	S	76.1	Confident	64.7	Low	29 Å²	29	60.2 Å²	60.2	20%	0.203	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.4	-179.5	-66.1	0	0	0	0	110.5	G123	G123-S166 PolarHBondContact O-OG 3.41Å
167	I	76.5	Confident	64.6	Low	9 Å²	9	59.3 Å²	59.3	5%	0.046	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.2	-177.4	-45.1	-174.9	0	0	0	109.7	V165 R180 F182 V218 I222 L254 L255	V165-I167 HydrophobicContact CG1-CG1 4.11Å; I167-R180 PolarHBondContact O-NH1 2.91Å; I167-F182 HydrophobicContact CD1-CE1 3.53Å; I167-F182 HydrophobicContact CD1-CZ 4Å; I167-V218 HydrophobicContact CD1-CG1 4.25Å; I167-V218 HydrophobicContact CG1-CG1 4.16Å; I167-V218 HydrophobicContact CG1-CG2 4.37Å; I167-I222 HydrophobicContact CD1-CD1 4.04Å; I167-L254 WeakPolarHBondContact O-CD1 3.33Å; I167-L255 HydrophobicContact CB-CB 4.41Å; I167-L255 HydrophobicContact CD1-CD2 4.44Å; I167-L255 PolarHBondContact N-O 3.21Å; I167-L255 PolarHBondContact O-N 2.88Å
168	P	68.1	Low	64.2	Low	66 Å²	66	64.5 Å²	64.5	43%	0.429	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-61.2	161.1	-175.8	24.4	-33.8	0	0	0	113.4	R180	P168-R180 PolarHBondContact O-NH1 3.21Å
169	A	70.6	Confident	64.1	Low	57 Å²	57	64.9 Å²	64.9	47%	0.471	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-66.6	135.8	167.7	0	0	0	0	0	109.7	T251 R253	A169-T251 CarbonylContact C-O 3.58Å; A169-T251 WeakPolarHBondContact CA-O 3.24Å; A169-R253 VanDerWaalsContact CA-O 3.26Å; A169-R253 WeakPolarHBondContact CA-O 3.45Å; A169-R253 WeakPolarHBondContact CB-O 3.21Å; A169-R253 PolarHBondContact N-O 2.89Å
170	S	62.3	Low	64.1	Low	73 Å²	73	64.2 Å²	64.2	51%	0.51	40%	0.398	S	S	.	.			trans	-118.7	116.6	-179.1	-170.5	0	0	0	0	110.4	T251	S170-T251 PolarHBondContact N-O 3.19Å; S170-T251 PolarHBondContact O-OG1 2.9Å
171	G	51.1	Low	63.7	Low	73 Å²	73	63.5 Å²	63.5	75%	0.753	40%	0.398	S	S	*	.			trans	-90.1	119.7	176	0	0	0	0	0	111
172	E	47.9	Very low	63.5	Low	184 Å²	184	64 Å²	64	86%	0.86	40%	0.399	S	S	*	.	S	Bend	trans	61	113.8	175.8	-58.6	-169.6	141.4	0	0	116	N174	E172-N174 PolarHBondContact O-N 3.47Å
173	G	47.7	Very low	63.5	Low	66 Å²	66	66.1 Å²	66.1	68%	0.68	42%	0.415	S	S	*	.			trans	-71.7	84.1	-176.2	0	0	0	0	0	113.7	N175	G173-N175 VanDerWaalsContact C-N 3.27Å; G173-N175 PolarHBondContact O-N 3.43Å; G173-N175 VanDerWaalsContact O-N 3.11Å
174	N	41.1	Very low	63.6	Low	159 Å²	159	66.4 Å²	66.4	85%	0.85	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	61.9	175.7	-153.7	28.1	0	0	0	111.9	E172	E172-N174 PolarHBondContact O-N 3.47Å
175	N	47	Very low	63.7	Low	135 Å²	135	67.1 Å²	67.1	72%	0.722	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-169.8	20.9	162	-104.2	0.9	0	0	0	113.5	G173 C177	G173-N175 VanDerWaalsContact C-N 3.27Å; G173-N175 PolarHBondContact O-N 3.43Å; G173-N175 VanDerWaalsContact O-N 3.11Å; N175-C177 PolarHBondContact O-N 3.41Å
176	G	48.7	Very low	63.6	Low	78 Å²	78	69.6 Å²	69.6	80%	0.804	44%	0.438	S	S	*	.	S	Bend	trans	74.5	-19.9	176.3	0	0	0	0	0	116.3
177	C	50.8	Low	63.4	Low	47 Å²	47	71.7 Å²	71.7	32%	0.318	45%	0.447	S	S	.	.			trans	-68	136.6	172.4	-79.9	0	0	0	0	112.9	N175 C213	N175-C177 PolarHBondContact O-N 3.41Å; C177-C213 HydrophobicContact CB-CB 3.46Å; C177-C213 VanDerWaalsContact CB-CB 3.46Å; C177-C213 WeakPolarHBondContact CB-SG 3.37Å; C177-C213 WeakPolarHBondContact SG-CB 3.39Å; C177-C213 CovalentContact SG-SG 2.02Å; C177-C213 PolarHBondContact SG-SG 3.03Å
178	R	52.6	Low	62.6	Low	249 Å²	249	78.3 Å²	78.3	94%	0.94	48%	0.478	S	S	*	.			trans	-96.1	126.5	169.7	-68.2	-177.2	173.5	-137.3	-0.2	109.4
179	G	62.8	Low	61.6	Low	29 Å²	29	79.2 Å²	79.2	30%	0.299	48%	0.484	S	S	.	.	S	Bend	trans	93.8	-165.4	175.3	0	0	0	0	0	114.5	G181	G179-G181 PolarHBondContact O-N 3.41Å
180	R	69.9	Low	60.2	Low	17 Å²	17	85.1 Å²	85.1	6%	0.064	51%	0.506	C	S	.	.	S	Bend	trans	-89.9	12	-170	-64.2	-177.4	179.3	-90.6	-0.3	115.6	I167 P168 F182 I248 E250 T251 R253 L255	I167-R180 PolarHBondContact O-NH1 2.91Å; P168-R180 PolarHBondContact O-NH1 3.21Å; R180-F182 HydrophobicContact CB-CD1 4.17Å; R180-F182 HydrophobicContact CB-CE1 3.74Å; R180-I248 WeakPolarHBondContact CD-O 3.23Å; R180-I248 WeakPolarHBondContact CG-O 3.49Å; R180-E250 VanDerWaalsContact CZ-O 3.32Å; R180-E250 PolarHBondContact NE-O 3Å; R180-E250 VanDerWaalsContact NE-O 3.16Å; R180-E250 PolarHBondContact NH2-O 3.17Å; R180-T251 HydrophobicContact CG-CG2 4.34Å; R180-R253 PolarHBondContact NH2-O 3.22Å; R180-L255 VanDerWaalsContact CD-CD2 3.46Å
181	G	68.1	Low	59.2	Low	9 Å²	9	86.8 Å²	86.8	9%	0.093	52%	0.518	C	S	.	.	S	Bend	trans	78.5	17.4	178.6	0	0	0	0	0	115.6	G179 D210	G179-G181 PolarHBondContact O-N 3.41Å; G181-D210 PolarHBondContact O-N 3.49Å
182	F	76.2	Confident	59.2	Low	13 Å²	13	89 Å²	89	6%	0.057	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163.4	169	66.8	-79.4	0	0	0	110.7	I167 R180 Q208 V209 I222 I248 L255 L257	I167-F182 HydrophobicContact CD1-CE1 3.53Å; I167-F182 HydrophobicContact CD1-CZ 4Å; R180-F182 HydrophobicContact CB-CD1 4.17Å; R180-F182 HydrophobicContact CB-CE1 3.74Å; F182-Q208 CarbonylContact C-O 3.43Å; F182-Q208 WeakPolarHBondContact CA-O 3.35Å; F182-Q208 WeakPolarHBondContact CB-O 3.43Å; F182-V209 HydrophobicContact CB-CG2 4.13Å; F182-I222 HydrophobicContact CD1-CD1 4.27Å; F182-I222 HydrophobicContact CE1-CD1 4.2Å; F182-I222 HydrophobicContact CZ-CD1 4.46Å; F182-I248 HydrophobicContact CD2-CG2 4.31Å; F182-I248 HydrophobicContact CE1-CG2 4.48Å; F182-I248 HydrophobicContact CE2-CG2 3.66Å; F182-I248 HydrophobicContact CZ-CG2 3.75Å; F182-L255 HydrophobicContact CZ-CD2 4.15Å; F182-L257 HydrophobicContact CE2-CD1 3.96Å; F182-L257 HydrophobicContact CZ-CD1 3.67Å
183	S	76.4	Confident	58.5	Low	53 Å²	53	86.8 Å²	86.8	37%	0.371	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.5	178.8	-64.6	0	0	0	0	110.4	S207 Q208	S183-S207 VanDerWaalsContact C-OG 3.27Å; S183-S207 PolarHBondContact O-N 3.48Å; S183-S207 PolarHBondContact O-OG 3.2Å; S183-Q208 PolarHBondContact N-O 3.17Å; S183-Q208 PolarHBondContact O-N 3.37Å
184	V	83.2	Confident	58.1	Low	17 Å²	17	92 Å²	92	10%	0.103	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	162.4	-177.5	-66.5	0	0	0	0	112.3	V204 R205 S207 I228 I244 D245 I248	V184-V204 HydrophobicContact CB-CG1 3.8Å; V184-V204 HydrophobicContact CG1-CG1 4.09Å; V184-V204 HydrophobicContact CG2-CG1 4.15Å; V184-R205 CarbonylContact C-O 3.58Å; V184-R205 WeakPolarHBondContact CA-O 3.37Å; V184-R205 WeakPolarHBondContact CB-O 3.47Å; V184-S207 PolarHBondContact N-OG 3.35Å; V184-S207 PolarHBondContact O-OG 3.34Å; V184-S207 VanDerWaalsContact O-OG 3.11Å; V184-I228 HydrophobicContact CG1-CD1 3.53Å; V184-I244 HydrophobicContact CG2-CG2 4.22Å; V184-D245 WeakPolarHBondContact CG2-OD1 3.26Å; V184-I248 HydrophobicContact CB-CD1 4.33Å; V184-I248 HydrophobicContact CG1-CD1 3.62Å; V184-I248 HydrophobicContact CG2-CD1 3.7Å
185	A	79.6	Confident	57.7	Low	39 Å²	39	87.9 Å²	87.9	32%	0.322	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.7	165.9	0	0	0	0	0	108.6	V204 R205	A185-V204 WeakPolarHBondContact O-CA 3.5Å; A185-R205 PolarHBondContact N-O 3.33Å; A185-R205 PolarHBondContact O-N 2.84Å
186	I	79.6	Confident	57.2	Low	60 Å²	60	92.1 Å²	92.1	31%	0.308	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	104.3	-178.5	-51.9	-173.7	0	0	0	107.7	Q188 V204 L241 I244	I186-Q188 PolarHBondContact O-N 2.88Å; I186-V204 HydrophobicContact CG1-CG2 4.2Å; I186-V204 HydrophobicContact CG2-CG2 4.35Å; I186-L241 HydrophobicContact CD1-CD2 3.83Å; I186-L241 HydrophobicContact CG2-CD2 4.1Å; I186-I244 HydrophobicContact CD1-CD1 4.17Å
187	D	71.6	Confident	56.3	Low	72 Å²	72	92.8 Å²	92.8	39%	0.385	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	108.9	175.3	-66.7	-29	0	0	0	108.3	T203 R205	D187-T203 WeakPolarHBondContact CB-OG1 3.26Å; D187-T203 PolarHBondContact N-O 3.37Å; D187-R205 VanDerWaalsContact OD2-CD 3.22Å; D187-R205 WeakPolarHBondContact OD2-CD 3.34Å; D187-R205 IonicContact OD2-NE 2.99Å; D187-R205 PolarHBondContact OD2-NE 3.37Å
188	Q	59.4	Low	55.9	Low	148 Å²	148	96 Å²	96	69%	0.692	55%	0.551	S	S	*	*			trans	-105.9	120.5	176.7	-164.5	172.8	63.3	0	0	109.1	I186 L190	I186-Q188 PolarHBondContact O-N 2.88Å; Q188-L190 PolarHBondContact O-N 3.21Å
189	P	47.8	Very low	55.2	Low	86 Å²	86	92.8 Å²	92.8	56%	0.558	55%	0.546	S	S	*	.			trans	-66.1	123.3	178.7	25.4	-32.4	0	0	0	110.4	S191	P189-S191 PolarHBondContact O-N 2.78Å
190	L	39.6	Very low	54.3	Low	180 Å²	180	99.3 Å²	99.3	94%	0.942	57%	0.569	S	S	*	*			trans	-60.8	127.3	174.9	-71.3	161.9	0	0	0	109.8	Q188	Q188-L190 PolarHBondContact O-N 3.21Å
191	S	42.3	Very low	53.3	Low	109 Å²	109	101.1 Å²	101.1	76%	0.762	59%	0.593	S	S	*	*			trans	-78.8	-179.8	-175.4	-51.3	0	0	0	0	112.6	P189	P189-S191 PolarHBondContact O-N 2.78Å
192	P	50.3	Low	53.3	Low	118 Å²	118	104.8 Å²	104.8	77%	0.766	60%	0.604	S	S	*	*			cis	-132.9	137	-49.8	32.3	-16.2	0	0	0	112.4
193	T	33.8	Very low	53.1	Low	138 Å²	138	106.1 Å²	106.1	85%	0.847	61%	0.613	S	S	*	*			trans	-142.3	113.1	167.6	49.7	0	0	0	0	113.5
194	N	38.5	Very low	53.4	Low	177 Å²	177	103.6 Å²	103.6	95%	0.947	60%	0.595	S	S	*	*	S	Bend	trans	27.2	98	157.7	-68.1	-6.2	0	0	0	119.1
195	G	33.1	Very low	53.4	Low	72 Å²	72	106.3 Å²	106.3	74%	0.742	60%	0.603	S	S	*	*			trans	173	121.9	160.8	0	0	0	0	0	111.4	S197	G195-S197 PolarHBondContact O-N 3.13Å; G195-S197 VanDerWaalsContact O-N 3.11Å
196	F	37	Very low	53.6	Low	224 Å²	224	104.5 Å²	104.5	98%	0.982	59%	0.589	S	S	*	*			trans	-72.2	101	172.5	-102	-101.7	0	0	0	109.7
197	S	30.8	Very low	53.5	Low	92 Å²	92	103.8 Å²	103.8	64%	0.643	59%	0.589	S	S	*	*			trans	-136.7	117.5	160.9	-84.1	0	0	0	0	108.9	G195	G195-S197 PolarHBondContact O-N 3.13Å; G195-S197 VanDerWaalsContact O-N 3.11Å
198	P	42.3	Very low	53.6	Low	114 Å²	114	106.9 Å²	106.9	74%	0.74	60%	0.601	S	S	*	*			trans	-68.4	163.7	162.6	32.4	-32.8	0	0	0	109.7
199	E	37	Very low	54.3	Low	182 Å²	182	101.5 Å²	101.5	85%	0.85	58%	0.578	S	S	*	*			trans	77.1	43.8	172.4	-48.3	-160.1	173.9	0	0	118.9
200	H	42.9	Very low	55.5	Low	166 Å²	166	100.5 Å²	100.5	77%	0.769	57%	0.568	S	S	*	*			trans	-111.2	76.6	149.4	-70.1	84.8	0	0	0	109.6
201	G	50.8	Low	56.6	Low	55 Å²	55	95.2 Å²	95.2	57%	0.567	55%	0.545	S	S	*	.			trans	-72.9	146.1	-179.6	0	0	0	0	0	112.9	T203	G201-T203 PolarHBondContact O-N 3.16Å
202	R	66.8	Low	57.5	Low	86 Å²	86	96 Å²	96	33%	0.325	54%	0.541	S	S	.	.			trans	-40.8	132.3	167.4	41.3	161.7	157.6	171.7	152.8	113	I236 H237 V239	R202-I236 PolarHBondContact NH2-O 2.82Å; R202-H237 VanDerWaalsContact CZ-C 3.42Å; R202-H237 PolarHBondContact NE-O 3.43Å; R202-H237 PolarHBondContact NH1-O 3.04Å; R202-V239 PolarHBondContact NH1-O 2.83Å; R202-V239 PolarHBondContact NH2-O 2.69Å
203	T	73.3	Confident	58.1	Low	40 Å²	40	92 Å²	92	25%	0.245	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.3	177.9	47.4	0	0	0	0	111.5	D187 G201 K227	D187-T203 WeakPolarHBondContact CB-OG1 3.26Å; D187-T203 PolarHBondContact N-O 3.37Å; G201-T203 PolarHBondContact O-N 3.16Å; T203-K227 HydrophobicContact CG2-CD 4.37Å
204	V	81.3	Confident	59.7	Low	0 Å²	0	85.9 Å²	85.9	0%	0	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.2	173.3	-178.5	0	0	0	0	108.3	V184 A185 I186 K227 I228 I236 I244	V184-V204 HydrophobicContact CB-CG1 3.8Å; V184-V204 HydrophobicContact CG1-CG1 4.09Å; V184-V204 HydrophobicContact CG2-CG1 4.15Å; A185-V204 WeakPolarHBondContact O-CA 3.5Å; I186-V204 HydrophobicContact CG1-CG2 4.2Å; I186-V204 HydrophobicContact CG2-CG2 4.35Å; V204-K227 WeakPolarHBondContact O-CA 3.42Å; V204-I228 HydrophobicContact CG1-CD1 4.38Å; V204-I228 PolarHBondContact O-N 2.92Å; V204-I236 HydrophobicContact CB-CD1 4.25Å; V204-I236 HydrophobicContact CB-CG1 3.94Å; V204-I236 HydrophobicContact CG2-CD1 3.89Å; V204-I236 HydrophobicContact CG2-CG1 3.49Å; V204-I236 VanDerWaalsContact CG2-CG1 3.49Å; V204-I244 HydrophobicContact CG1-CG2 4.49Å; V204-I244 HydrophobicContact CG2-CD1 4.21Å
205	R	84	Confident	60.8	Low	74 Å²	74	79 Å²	79	28%	0.279	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.7	180	-65.5	-175.6	-174.9	-87.1	1.8	111.6	V184 A185 D187 S207 G225 D226	V184-R205 CarbonylContact C-O 3.58Å; V184-R205 WeakPolarHBondContact CA-O 3.37Å; V184-R205 WeakPolarHBondContact CB-O 3.47Å; A185-R205 PolarHBondContact N-O 3.33Å; A185-R205 PolarHBondContact O-N 2.84Å; D187-R205 VanDerWaalsContact OD2-CD 3.22Å; D187-R205 WeakPolarHBondContact OD2-CD 3.34Å; D187-R205 IonicContact OD2-NE 2.99Å; D187-R205 PolarHBondContact OD2-NE 3.37Å; R205-S207 PolarHBondContact O-N 2.88Å; R205-G225 PolarHBondContact NH1-O 3.03Å; R205-G225 VanDerWaalsContact NH1-O 3.07Å; R205-D226 CarbonylContact C-O 3.53Å; R205-D226 WeakPolarHBondContact CA-O 3.41Å
206	V	82.8	Confident	62	Low	2 Å²	2	80.6 Å²	80.6	1%	0.012	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	119.1	168.8	-180	0	0	0	0	108.7	V209 I222 H223 G225 D226 I228	V206-V209 HydrophobicContact CG1-CG2 3.55Å; V206-I222 HydrophobicContact CB-CG2 4.44Å; V206-I222 HydrophobicContact CG1-CG2 3.97Å; V206-I222 HydrophobicContact CG2-CG2 3.81Å; V206-H223 WeakPolarHBondContact CB-O 3.23Å; V206-G225 PolarHBondContact O-N 3.47Å; V206-D226 HydrophobicContact CB-CB 4.45Å; V206-D226 HydrophobicContact CG2-CB 4.13Å; V206-D226 PolarHBondContact N-O 2.7Å; V206-I228 HydrophobicContact CG2-CD1 4.36Å; V206-I228 HydrophobicContact CG2-CG1 4.37Å
207	S	77.6	Confident	63	Low	45 Å²	45	76.4 Å²	76.4	32%	0.315	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-34.2	-175.6	60.6	0	0	0	0	112.9	S183 V184 R205 V224	S183-S207 VanDerWaalsContact C-OG 3.27Å; S183-S207 PolarHBondContact O-N 3.48Å; S183-S207 PolarHBondContact O-OG 3.2Å; V184-S207 PolarHBondContact N-OG 3.35Å; V184-S207 PolarHBondContact O-OG 3.34Å; V184-S207 VanDerWaalsContact O-OG 3.11Å; R205-S207 PolarHBondContact O-N 2.88Å; S207-V224 WeakPolarHBondContact O-CG1 3.23Å
208	Q	73.4	Confident	64.6	Low	136 Å²	136	72.2 Å²	72.2	64%	0.636	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.8	179.2	-63.1	-175.5	-7.6	0	0	109.8	F182 S183	F182-Q208 CarbonylContact C-O 3.43Å; F182-Q208 WeakPolarHBondContact CA-O 3.35Å; F182-Q208 WeakPolarHBondContact CB-O 3.43Å; S183-Q208 PolarHBondContact N-O 3.17Å; S183-Q208 PolarHBondContact O-N 3.37Å
209	V	75.8	Confident	65.5	Low	35 Å²	35	70.5 Å²	70.5	21%	0.212	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.3	169.8	-177.8	0	0	0	0	107	F182 V206 P211 I214 I222 V224	F182-V209 HydrophobicContact CB-CG2 4.13Å; V206-V209 HydrophobicContact CG1-CG2 3.55Å; V209-P211 WeakPolarHBondContact O-CD 3.26Å; V209-I214 HydrophobicContact CG1-CD1 3.97Å; V209-I222 HydrophobicContact CG2-CG2 4.11Å; V209-V224 HydrophobicContact CB-CG2 4.45Å; V209-V224 HydrophobicContact CG2-CG2 4.1Å
210	D	71.3	Confident	66.7	Low	65 Å²	65	64.5 Å²	64.5	35%	0.348	35%	0.353	S	S	.	.			trans	-92.3	108.8	174	-172.9	-33.4	0	0	0	108.8	G181 D212 C213 I214	G181-D210 PolarHBondContact O-N 3.49Å; D210-D212 PolarHBondContact O-N 2.79Å; D210-D212 PolarHBondContact OD1-N 2.99Å; D210-C213 HydrophobicContact CB-CB 4.19Å; D210-C213 PolarHBondContact O-N 3.12Å; D210-C213 PolarHBondContact OD1-N 3.37Å; D210-I214 WeakPolarHBondContact O-CG2 3.37Å; D210-I214 PolarHBondContact O-N 3.11Å; D210-I214 VanDerWaalsContact O-N 3.12Å
211	P	63	Low	67.8	Low	70 Å²	70	58.1 Å²	58.1	46%	0.455	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.9	-176	-21.6	34.5	0	0	0	113.8	V209 K219	V209-P211 WeakPolarHBondContact O-CD 3.26Å; P211-K219 WeakPolarHBondContact O-CD 3.23Å; P211-K219 WeakPolarHBondContact O-CE 3.07Å; P211-K219 PolarHBondContact O-NZ 2.68Å
212	D	61.8	Low	69	Low	126 Å²	126	55.7 Å²	55.7	67%	0.674	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-8.3	-172.9	-65	-24.5	0	0	0	112.5	D210 K219	D210-D212 PolarHBondContact O-N 2.79Å; D210-D212 PolarHBondContact OD1-N 2.99Å; D212-K219 IonicContact OD1-NZ 2.65Å
213	C	62.5	Low	69.3	Low	32 Å²	32	54 Å²	54	22%	0.216	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-5.1	-177.6	-65.3	0	0	0	0	114.8	C177 D210	C177-C213 HydrophobicContact CB-CB 3.46Å; C177-C213 VanDerWaalsContact CB-CB 3.46Å; C177-C213 WeakPolarHBondContact CB-SG 3.37Å; C177-C213 WeakPolarHBondContact SG-CB 3.39Å; C177-C213 CovalentContact SG-SG 2.02Å; C177-C213 PolarHBondContact SG-SG 3.03Å; D210-C213 HydrophobicContact CB-CB 4.19Å; D210-C213 PolarHBondContact O-N 3.12Å; D210-C213 PolarHBondContact OD1-N 3.37Å
214	I	66.8	Low	69.4	Low	11 Å²	11	55.9 Å²	55.9	6%	0.056	31%	0.308	C	S	.	.	S	Bend	trans	-81.4	146.7	165	-167.5	163.1	0	0	0	110.9	V209 D210 V218 K219 I222	V209-I214 HydrophobicContact CG1-CD1 3.97Å; D210-I214 WeakPolarHBondContact O-CG2 3.37Å; D210-I214 PolarHBondContact O-N 3.11Å; D210-I214 VanDerWaalsContact O-N 3.12Å; I214-V218 HydrophobicContact CD1-CB 4.39Å; I214-V218 HydrophobicContact CD1-CG1 4.3Å; I214-V218 HydrophobicContact CG1-CB 4.22Å; I214-K219 HydrophobicContact CG2-CB 3.77Å; I214-K219 HydrophobicContact CG2-CD 4.29Å; I214-K219 HydrophobicContact CG2-CG 3.8Å; I214-I222 HydrophobicContact CD1-CB 4.42Å; I214-I222 HydrophobicContact CD1-CD1 4.26Å
215	S	62.2	Low	68.9	Low	32 Å²	32	56.9 Å²	56.9	22%	0.224	32%	0.318	C	S	.	.			trans	-59	137.4	175	176	0	0	0	0	110.8	D217 V218 K219	S215-D217 PolarHBondContact O-N 2.93Å; S215-D217 VanDerWaalsContact O-N 3.12Å; S215-V218 PolarHBondContact O-N 3.32Å; S215-K219 PolarHBondContact O-N 2.98Å
216	P	59.7	Low	68.7	Low	105 Å²	105	53.6 Å²	53.6	68%	0.682	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.4	179.1	23.8	-34.7	0	0	0	113.3	V218	P216-V218 PolarHBondContact O-N 2.81Å
217	D	56.2	Low	68.6	Low	136 Å²	136	56.4 Å²	56.4	73%	0.727	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.3	176.8	-52.7	-42.6	0	0	0	113.2	S215	S215-D217 PolarHBondContact O-N 2.93Å; S215-D217 VanDerWaalsContact O-N 3.12Å
218	V	64.9	Low	68.9	Low	4 Å²	4	54.3 Å²	54.3	2%	0.024	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-15.6	-171.5	-163.2	0	0	0	0	112.3	V165 I167 I214 S215 P216 N220 S221 I222	V165-V218 HydrophobicContact CG1-CG1 3.43Å; V165-V218 VanDerWaalsContact CG1-CG1 3.43Å; I167-V218 HydrophobicContact CD1-CG1 4.25Å; I167-V218 HydrophobicContact CG1-CG1 4.16Å; I167-V218 HydrophobicContact CG1-CG2 4.37Å; I214-V218 HydrophobicContact CD1-CB 4.39Å; I214-V218 HydrophobicContact CD1-CG1 4.3Å; I214-V218 HydrophobicContact CG1-CB 4.22Å; S215-V218 PolarHBondContact O-N 3.32Å; P216-V218 PolarHBondContact O-N 2.81Å; V218-N220 PolarHBondContact O-N 3.08Å; V218-S221 PolarHBondContact O-N 3.24Å; V218-I222 HydrophobicContact CG1-CD1 3.71Å; V218-I222 HydrophobicContact CG1-CG1 3.98Å
219	K	62.4	Low	69.2	Low	79 Å²	79	50 Å²	50	34%	0.343	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-27.4	-175.6	-175	163.7	177.2	156.8	0	115.6	P211 D212 I214 S215	P211-K219 WeakPolarHBondContact O-CD 3.23Å; P211-K219 WeakPolarHBondContact O-CE 3.07Å; P211-K219 PolarHBondContact O-NZ 2.68Å; D212-K219 IonicContact OD1-NZ 2.65Å; I214-K219 HydrophobicContact CG2-CB 3.77Å; I214-K219 HydrophobicContact CG2-CD 4.29Å; I214-K219 HydrophobicContact CG2-CG 3.8Å; S215-K219 PolarHBondContact O-N 2.98Å
220	N	61.4	Low	69.5	Low	56 Å²	56	51.5 Å²	51.5	30%	0.299	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	13.8	-177.2	-54.3	-35.3	0	0	0	113	Y141 V145 V218	Y141-N220 HydrophobicContact CD2-CB 4.13Å; Y141-N220 HydrophobicContact CE2-CB 3.59Å; Y141-N220 VanDerWaalsContact CE2-ND2 3.31Å; Y141-N220 WeakPolarHBondContact CE2-ND2 3.29Å; Y141-N220 PolarHBondContact OH-ND2 2.8Å; V145-N220 HydrophobicContact CG1-CB 4.32Å; V218-N220 PolarHBondContact O-N 3.08Å
221	S	66.8	Low	70	Confident	32 Å²	32	48.5 Å²	48.5	22%	0.224	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-8.2	-178	-57.1	0	0	0	0	113	V218	V218-S221 PolarHBondContact O-N 3.24Å
222	I	74.8	Confident	70.6	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.015	27%	0.269	C	S	.	.			trans	-132.2	122.5	-179.1	-55.1	-176.8	0	0	0	107.8	V165 I167 F182 V206 V209 I214 V218 I259	V165-I222 HydrophobicContact CG1-CD1 4.25Å; V165-I222 HydrophobicContact CG1-CG1 4.38Å; I167-I222 HydrophobicContact CD1-CD1 4.04Å; F182-I222 HydrophobicContact CD1-CD1 4.27Å; F182-I222 HydrophobicContact CE1-CD1 4.2Å; F182-I222 HydrophobicContact CZ-CD1 4.46Å; V206-I222 HydrophobicContact CB-CG2 4.44Å; V206-I222 HydrophobicContact CG1-CG2 3.97Å; V206-I222 HydrophobicContact CG2-CG2 3.81Å; V209-I222 HydrophobicContact CG2-CG2 4.11Å; I214-I222 HydrophobicContact CD1-CB 4.42Å; I214-I222 HydrophobicContact CD1-CD1 4.26Å; V218-I222 HydrophobicContact CG1-CD1 3.71Å; V218-I222 HydrophobicContact CG1-CG1 3.98Å; I222-I259 HydrophobicContact CD1-CD1 4.19Å; I222-I259 HydrophobicContact CG1-CD1 3.86Å
223	H	74.4	Confident	70.9	Confident	51 Å²	51	45.3 Å²	45.3	24%	0.236	27%	0.266	C	S	.	.			trans	-121.5	157.2	-179.5	-49.5	86.9	0	0	0	111	V206 G225 D226	V206-H223 WeakPolarHBondContact CB-O 3.23Å; H223-G225 PolarHBondContact O-N 2.99Å; H223-D226 IonicContact CG-OD2 2.63Å; H223-D226 PolarHBondContact N-OD2 3.07Å; H223-D226 IonicContact ND1-OD2 3.95Å; H223-D226 PolarHBondContact ND1-OD2 3.42Å; H223-D226 VanDerWaalsContact O-CB 3.3Å; H223-D226 WeakPolarHBondContact O-CB 3.28Å; H223-D226 VanDerWaalsContact O-CG 3.23Å; H223-D226 PolarHBondContact O-N 3.04Å
224	V	73.9	Confident	71.5	Confident	80 Å²	80	46.7 Å²	46.7	49%	0.485	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	128.3	175.7	177	0	0	0	0	109.7	S207 V209	S207-V224 WeakPolarHBondContact O-CG1 3.23Å; V209-V224 HydrophobicContact CB-CG2 4.45Å; V209-V224 HydrophobicContact CG2-CG2 4.1Å
225	G	70.4	Confident	71.9	Confident	21 Å²	21	48 Å²	48	22%	0.216	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-17.6	-175.1	0	0	0	0	0	114.6	R205 V206 H223	R205-G225 PolarHBondContact NH1-O 3.03Å; R205-G225 VanDerWaalsContact NH1-O 3.07Å; V206-G225 PolarHBondContact O-N 3.47Å; H223-G225 PolarHBondContact O-N 2.99Å
226	D	80	Confident	72.7	Confident	4 Å²	4	47 Å²	47	2%	0.021	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-57.5	137.1	179	-73.3	-0.4	0	0	0	111.4	R205 V206 H223 I259 H261	R205-D226 CarbonylContact C-O 3.53Å; R205-D226 WeakPolarHBondContact CA-O 3.41Å; V206-D226 HydrophobicContact CB-CB 4.45Å; V206-D226 HydrophobicContact CG2-CB 4.13Å; V206-D226 PolarHBondContact N-O 2.7Å; H223-D226 IonicContact CG-OD2 2.63Å; H223-D226 PolarHBondContact N-OD2 3.07Å; H223-D226 IonicContact ND1-OD2 3.95Å; H223-D226 PolarHBondContact ND1-OD2 3.42Å; H223-D226 VanDerWaalsContact O-CB 3.3Å; H223-D226 WeakPolarHBondContact O-CB 3.28Å; H223-D226 VanDerWaalsContact O-CG 3.23Å; H223-D226 PolarHBondContact O-N 3.04Å; D226-I259 HydrophobicContact CB-CG2 3.59Å; D226-H261 IonicContact OD1-CE1 2.89Å; D226-H261 IonicContact OD1-CG 3.09Å; D226-H261 IonicContact OD1-ND1 3.24Å; D226-H261 PolarHBondContact OD1-ND1 3.43Å
227	K	81.9	Confident	73.3	Confident	62 Å²	62	47.1 Å²	47.1	27%	0.27	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.8	-176.4	177.4	-179.5	158.5	-145.4	0	110.2	T203 V204 L229 I259 E260	T203-K227 HydrophobicContact CG2-CD 4.37Å; V204-K227 WeakPolarHBondContact O-CA 3.42Å; K227-L229 HydrophobicContact CD-CD2 4.18Å; K227-L229 HydrophobicContact CG-CD2 4.13Å; K227-I259 CarbonylContact O-C 3.5Å; K227-I259 WeakPolarHBondContact O-CA 3.49Å; K227-E260 HydrophobicContact CB-CB 4.39Å; K227-E260 PolarHBondContact N-O 3.35Å; K227-E260 IonicContact NZ-OE2 3.67Å; K227-E260 PolarHBondContact NZ-OE2 3.36Å; K227-E260 PolarHBondContact O-N 2.97Å
228	I	82.9	Confident	74.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122	176.6	-58.2	179.6	0	0	0	108.7	V184 V204 V206 I231 I236 L257	V184-I228 HydrophobicContact CG1-CD1 3.53Å; V204-I228 HydrophobicContact CG1-CD1 4.38Å; V204-I228 PolarHBondContact O-N 2.92Å; V206-I228 HydrophobicContact CG2-CD1 4.36Å; V206-I228 HydrophobicContact CG2-CG1 4.37Å; I228-I231 HydrophobicContact CG2-CG1 4Å; I228-I236 HydrophobicContact CG2-CD1 4.35Å; I228-I236 WeakPolarHBondContact O-CG2 3.45Å; I228-L257 HydrophobicContact CG2-CD2 4.35Å
229	L	80	Confident	74.7	Confident	45 Å²	45	45.6 Å²	45.6	24%	0.236	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-38.2	178.7	-58.3	-176.3	0	0	0	111.9	V162 K227 I236 T258 E260	V162-L229 HydrophobicContact CG1-CD1 4.27Å; K227-L229 HydrophobicContact CD-CD2 4.18Å; K227-L229 HydrophobicContact CG-CD2 4.13Å; L229-I236 WeakPolarHBondContact O-CB 3.25Å; L229-I236 WeakPolarHBondContact O-CG2 3.46Å; L229-I236 PolarHBondContact O-N 2.74Å; L229-T258 HydrophobicContact CB-CG2 4.34Å; L229-T258 HydrophobicContact CD1-CG2 4.46Å; L229-T258 PolarHBondContact N-O 3.4Å; L229-E260 HydrophobicContact CD1-CB 3.98Å; L229-E260 HydrophobicContact CD2-CB 4.33Å; L229-E260 HydrophobicContact CG-CB 4.1Å
230	E	81.9	Confident	75.4	Confident	67 Å²	67	44.3 Å²	44.3	31%	0.313	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.6	-175.6	-47.7	-177.7	130.4	0	0	112.1	T234 L257 T258	E230-T234 CarbonylContact C-O 3.55Å; E230-T234 VanDerWaalsContact CA-O 3.32Å; E230-T234 WeakPolarHBondContact CA-O 2.87Å; E230-L257 WeakPolarHBondContact O-CA 3.48Å; E230-T258 PolarHBondContact N-O 2.65Å; E230-T258 PolarHBondContact O-N 2.69Å; E230-T258 VanDerWaalsContact O-N 3.1Å; E230-T258 WeakPolarHBondContact OE2-CB 3.3Å; E230-T258 PolarHBondContact OE2-OG1 2.84Å
231	I	81.2	Confident	76	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.1	173.4	-56.1	-178.8	0	0	0	108.3	I228 G233 T234 I236 I244 L247 L255 L257	I228-I231 HydrophobicContact CG2-CG1 4Å; I231-G233 PolarHBondContact O-N 3.11Å; I231-T234 PolarHBondContact N-O 3.46Å; I231-T234 WeakPolarHBondContact O-CB 3.29Å; I231-T234 PolarHBondContact O-N 3.42Å; I231-I236 HydrophobicContact CD1-CD1 3.54Å; I231-I236 HydrophobicContact CG1-CD1 3.92Å; I231-I244 HydrophobicContact CD1-CG2 4.12Å; I231-L247 HydrophobicContact CG2-CB 4.36Å; I231-L247 HydrophobicContact CG2-CD1 4.37Å; I231-L255 HydrophobicContact CG2-CD1 3.82Å; I231-L257 HydrophobicContact CB-CD2 4.23Å; I231-L257 HydrophobicContact CG1-CD2 3.79Å; I231-L257 HydrophobicContact CG2-CD2 4.12Å
232	N	77.3	Confident	76.3	Confident	68 Å²	68	49.6 Å²	49.6	36%	0.364	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	41.1	-179.1	-62.1	-34.1	0	0	0	113.4	T234 Q256	N232-T234 PolarHBondContact O-N 2.96Å; N232-Q256 PolarHBondContact N-O 2.87Å; N232-Q256 PolarHBondContact OD1-N 3.08Å
233	G	66.3	Low	76.5	Confident	60 Å²	60	54 Å²	54	62%	0.619	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	7.8	-177.2	0	0	0	0	0	115.1	I231	I231-G233 PolarHBondContact O-N 3.11Å
234	T	75.8	Confident	76.7	Confident	61 Å²	61	51.6 Å²	51.6	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.8	173.2	-56.4	0	0	0	0	109.6	E230 I231 N232 N238 V239	E230-T234 CarbonylContact C-O 3.55Å; E230-T234 VanDerWaalsContact CA-O 3.32Å; E230-T234 WeakPolarHBondContact CA-O 2.87Å; I231-T234 PolarHBondContact N-O 3.46Å; I231-T234 WeakPolarHBondContact O-CB 3.29Å; I231-T234 PolarHBondContact O-N 3.42Å; N232-T234 PolarHBondContact O-N 2.96Å; T234-N238 HydrophobicContact CG2-CB 4.13Å; T234-V239 HydrophobicContact CG2-CG2 3.82Å
235	P	76.3	Confident	76.9	Confident	38 Å²	38	51.3 Å²	51.3	25%	0.247	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	141.3	176.1	-26.9	35	0	0	0	111.9	H237 N238	P235-H237 CarbonylContact O-C 3.57Å; P235-H237 WeakPolarHBondContact O-CA 3.32Å; P235-H237 PolarHBondContact O-N 2.73Å; P235-N238 PolarHBondContact O-N 2.83Å
236	I	77.5	Confident	77.2	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.062	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-58.2	-54.9	-169.3	-168	63.1	0	0	0	112.8	R202 V204 I228 L229 I231 N238 V239 I244	R202-I236 PolarHBondContact NH2-O 2.82Å; V204-I236 HydrophobicContact CB-CD1 4.25Å; V204-I236 HydrophobicContact CB-CG1 3.94Å; V204-I236 HydrophobicContact CG2-CD1 3.89Å; V204-I236 HydrophobicContact CG2-CG1 3.49Å; V204-I236 VanDerWaalsContact CG2-CG1 3.49Å; I228-I236 HydrophobicContact CG2-CD1 4.35Å; I228-I236 WeakPolarHBondContact O-CG2 3.45Å; L229-I236 WeakPolarHBondContact O-CB 3.25Å; L229-I236 WeakPolarHBondContact O-CG2 3.46Å; L229-I236 PolarHBondContact O-N 2.74Å; I231-I236 HydrophobicContact CD1-CD1 3.54Å; I231-I236 HydrophobicContact CG1-CD1 3.92Å; I236-N238 VanDerWaalsContact C-N 3.25Å; I236-N238 PolarHBondContact O-N 3.49Å; I236-V239 PolarHBondContact O-N 3.06Å; I236-I244 HydrophobicContact CD1-CD1 4.06Å; I236-I244 HydrophobicContact CD1-CG1 4.36Å
237	H	73	Confident	77	Confident	107 Å²	107	57.6 Å²	57.6	50%	0.495	32%	0.316	S	S	.	.	G	3₁₀ helix		52	-79.5	107.9	142.8	-89.1	0	0	0	119.1	R202 P235	R202-H237 VanDerWaalsContact CZ-C 3.42Å; R202-H237 PolarHBondContact NE-O 3.43Å; R202-H237 PolarHBondContact NH1-O 3.04Å; P235-H237 CarbonylContact O-C 3.57Å; P235-H237 WeakPolarHBondContact O-CA 3.32Å; P235-H237 PolarHBondContact O-N 2.73Å
238	N	74.8	Confident	76.8	Confident	101 Å²	101	54.8 Å²	54.8	54%	0.54	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-119.7	-5.9	-168.3	-63.3	-46.5	0	0	0	112.6	T234 P235 I236	T234-N238 HydrophobicContact CG2-CB 4.13Å; P235-N238 PolarHBondContact O-N 2.83Å; I236-N238 VanDerWaalsContact C-N 3.25Å; I236-N238 PolarHBondContact O-N 3.49Å
239	V	75.9	Confident	76.3	Confident	8 Å²	8	60.4 Å²	60.4	5%	0.048	33%	0.33	C	S	.	.	S	Bend	trans	-78.8	132.3	174.5	-172	0	0	0	0	109	R202 T234 I236 E243 I244 L247	R202-V239 PolarHBondContact NH1-O 2.83Å; R202-V239 PolarHBondContact NH2-O 2.69Å; T234-V239 HydrophobicContact CG2-CG2 3.82Å; I236-V239 PolarHBondContact O-N 3.06Å; V239-E243 HydrophobicContact CG1-CB 4.32Å; V239-I244 HydrophobicContact CB-CG1 4.14Å; V239-I244 HydrophobicContact CG1-CG1 3.66Å; V239-L247 HydrophobicContact CG1-CD1 3.73Å
240	P	77.6	Confident	76.1	Confident	51 Å²	51	61.7 Å²	61.7	33%	0.331	34%	0.335	S	S	.	.			trans	-72.9	148.2	176.1	30.7	-33.5	0	0	0	111.1	D242 E243 I244	P240-D242 VanDerWaalsContact C-N 3.29Å; P240-D242 PolarHBondContact O-N 3.38Å; P240-E243 HydrophobicContact CG-CB 3.89Å; P240-E243 HydrophobicContact CG-CG 3.67Å; P240-E243 WeakPolarHBondContact CG-OE2 3.27Å; P240-E243 PolarHBondContact O-N 3.14Å; P240-I244 PolarHBondContact O-N 2.96Å
241	L	72.9	Confident	75.6	Confident	79 Å²	79	60.8 Å²	60.8	41%	0.414	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-35.9	-166.7	-65.6	173	0	0	0	113.2	I186 E243 I244	I186-L241 HydrophobicContact CD1-CD2 3.83Å; I186-L241 HydrophobicContact CG2-CD2 4.1Å; L241-E243 VanDerWaalsContact C-N 3.3Å; L241-E243 PolarHBondContact O-N 3Å; L241-I244 HydrophobicContact CD2-CD1 4.2Å; L241-I244 PolarHBondContact O-N 3.48Å
242	D	72.7	Confident	75	Confident	121 Å²	121	64.3 Å²	64.3	65%	0.647	36%	0.359	S	S	*	.	H	α-helix	trans	-70.9	-20	177.5	51.4	-49.5	0	0	0	113.7	P240 L246	P240-D242 VanDerWaalsContact C-N 3.29Å; P240-D242 PolarHBondContact O-N 3.38Å; D242-L246 WeakPolarHBondContact O-CD1 3.49Å; D242-L246 WeakPolarHBondContact O-CG 3.47Å
243	E	79.4	Confident	74.8	Confident	96 Å²	96	69.1 Å²	69.1	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-90.6	-20.7	175	-70.1	-180	-167.6	0	0	113.5	V239 P240 L241 D245 L246 L247	V239-E243 HydrophobicContact CG1-CB 4.32Å; P240-E243 HydrophobicContact CG-CB 3.89Å; P240-E243 HydrophobicContact CG-CG 3.67Å; P240-E243 WeakPolarHBondContact CG-OE2 3.27Å; P240-E243 PolarHBondContact O-N 3.14Å; L241-E243 VanDerWaalsContact C-N 3.3Å; L241-E243 PolarHBondContact O-N 3Å; E243-D245 PolarHBondContact O-N 3.45Å; E243-L246 PolarHBondContact O-N 2.93Å; E243-L247 HydrophobicContact CB-CD1 4.3Å; E243-L247 WeakPolarHBondContact O-CB 3.14Å; E243-L247 VanDerWaalsContact O-CG 3.26Å; E243-L247 WeakPolarHBondContact O-CG 3.24Å; E243-L247 PolarHBondContact O-N 3.33Å
244	I	78.9	Confident	75.4	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-51.4	-174.8	-66.2	170.9	0	0	0	111.2	V184 I186 V204 I231 I236 V239 P240 L241 L246 L247 I248	V184-I244 HydrophobicContact CG2-CG2 4.22Å; I186-I244 HydrophobicContact CD1-CD1 4.17Å; V204-I244 HydrophobicContact CG1-CG2 4.49Å; V204-I244 HydrophobicContact CG2-CD1 4.21Å; I231-I244 HydrophobicContact CD1-CG2 4.12Å; I236-I244 HydrophobicContact CD1-CD1 4.06Å; I236-I244 HydrophobicContact CD1-CG1 4.36Å; V239-I244 HydrophobicContact CB-CG1 4.14Å; V239-I244 HydrophobicContact CG1-CG1 3.66Å; P240-I244 PolarHBondContact O-N 2.96Å; L241-I244 HydrophobicContact CD2-CD1 4.2Å; L241-I244 PolarHBondContact O-N 3.48Å; I244-L246 VanDerWaalsContact C-N 3.31Å; I244-L246 PolarHBondContact O-N 3.26Å; I244-L247 PolarHBondContact O-N 3.03Å; I244-I248 HydrophobicContact CG2-CD1 3.97Å; I244-I248 WeakPolarHBondContact O-CG1 2.99Å; I244-I248 PolarHBondContact O-N 2.96Å; I244-I248 VanDerWaalsContact O-N 3.13Å
245	D	77.3	Confident	75.6	Confident	73 Å²	73	67.6 Å²	67.6	39%	0.39	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-34.9	177.6	-76	-37.7	0	0	0	111.9	V184 E243 I248 Q249	V184-D245 WeakPolarHBondContact CG2-OD1 3.26Å; E243-D245 PolarHBondContact O-N 3.45Å; D245-I248 PolarHBondContact O-N 3.49Å; D245-Q249 VanDerWaalsContact O-CB 3.26Å; D245-Q249 WeakPolarHBondContact O-CB 3.48Å; D245-Q249 WeakPolarHBondContact O-CG 3.25Å; D245-Q249 PolarHBondContact O-N 3.21Å
246	L	77.2	Confident	75.8	Confident	113 Å²	113	68.4 Å²	68.4	59%	0.592	35%	0.348	S	S	*	.	H	α-helix	trans	-66.4	-42.8	177.4	-65.7	176.5	0	0	0	112	D242 E243 I244 I248 Q249 E250	D242-L246 WeakPolarHBondContact O-CD1 3.49Å; D242-L246 WeakPolarHBondContact O-CG 3.47Å; E243-L246 PolarHBondContact O-N 2.93Å; I244-L246 VanDerWaalsContact C-N 3.31Å; I244-L246 PolarHBondContact O-N 3.26Å; L246-I248 VanDerWaalsContact C-N 3.34Å; L246-Q249 PolarHBondContact O-N 2.79Å; L246-E250 WeakPolarHBondContact O-CB 3.3Å; L246-E250 PolarHBondContact O-N 3.44Å
247	L	77.1	Confident	76	Confident	45 Å²	45	67.9 Å²	67.9	24%	0.236	35%	0.345	C	S	.	.	H	α-helix	trans	-66.7	-34.7	177.5	-71.7	167.6	0	0	0	112.2	I231 V239 E243 I244	I231-L247 HydrophobicContact CG2-CB 4.36Å; I231-L247 HydrophobicContact CG2-CD1 4.37Å; V239-L247 HydrophobicContact CG1-CD1 3.73Å; E243-L247 HydrophobicContact CB-CD1 4.3Å; E243-L247 WeakPolarHBondContact O-CB 3.14Å; E243-L247 VanDerWaalsContact O-CG 3.26Å; E243-L247 WeakPolarHBondContact O-CG 3.24Å; E243-L247 PolarHBondContact O-N 3.33Å; I244-L247 PolarHBondContact O-N 3.03Å
248	I	76.5	Confident	76.4	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-74.2	-38.2	175.8	-67.7	167.9	0	0	0	111	R180 F182 V184 I244 D245 L246	R180-I248 WeakPolarHBondContact CD-O 3.23Å; R180-I248 WeakPolarHBondContact CG-O 3.49Å; F182-I248 HydrophobicContact CD2-CG2 4.31Å; F182-I248 HydrophobicContact CE1-CG2 4.48Å; F182-I248 HydrophobicContact CE2-CG2 3.66Å; F182-I248 HydrophobicContact CZ-CG2 3.75Å; V184-I248 HydrophobicContact CB-CD1 4.33Å; V184-I248 HydrophobicContact CG1-CD1 3.62Å; V184-I248 HydrophobicContact CG2-CD1 3.7Å; I244-I248 HydrophobicContact CG2-CD1 3.97Å; I244-I248 WeakPolarHBondContact O-CG1 2.99Å; I244-I248 PolarHBondContact O-N 2.96Å; I244-I248 VanDerWaalsContact O-N 3.13Å; D245-I248 PolarHBondContact O-N 3.49Å; L246-I248 VanDerWaalsContact C-N 3.34Å
249	Q	73.3	Confident	76.8	Confident	117 Å²	117	58.5 Å²	58.5	55%	0.547	30%	0.299	S	S	.	.	H	α-helix	trans	-82.2	-20.8	-179.9	-68.1	177.2	28	0	0	113.9	D245 L246 T251	D245-Q249 VanDerWaalsContact O-CB 3.26Å; D245-Q249 WeakPolarHBondContact O-CB 3.48Å; D245-Q249 WeakPolarHBondContact O-CG 3.25Å; D245-Q249 PolarHBondContact O-N 3.21Å; L246-Q249 PolarHBondContact O-N 2.79Å; Q249-T251 PolarHBondContact O-N 2.98Å; Q249-T251 VanDerWaalsContact O-N 3.09Å
250	E	75.1	Confident	77.1	Confident	72 Å²	72	59.8 Å²	59.8	34%	0.336	30%	0.304	S	S	.	.			trans	-64.6	108.7	175.3	179.5	172.1	-141.5	0	0	110.4	R180 L246 S252 R253	R180-E250 VanDerWaalsContact CZ-O 3.32Å; R180-E250 PolarHBondContact NE-O 3Å; R180-E250 VanDerWaalsContact NE-O 3.16Å; R180-E250 PolarHBondContact NH2-O 3.17Å; L246-E250 WeakPolarHBondContact O-CB 3.3Å; L246-E250 PolarHBondContact O-N 3.44Å; E250-S252 VanDerWaalsContact CG-OG 3.23Å; E250-S252 WeakPolarHBondContact CG-OG 3.47Å; E250-S252 PolarHBondContact OE1-OG 2.83Å; E250-R253 IonicContact OE1-NE 3.79Å
251	T	71.7	Confident	77.3	Confident	49 Å²	49	58.9 Å²	58.9	30%	0.301	30%	0.296	S	S	.	.			trans	-90	-6.6	178.2	64.7	0	0	0	0	114.1	A169 S170 R180 Q249 R253	A169-T251 CarbonylContact C-O 3.58Å; A169-T251 WeakPolarHBondContact CA-O 3.24Å; S170-T251 PolarHBondContact N-O 3.19Å; S170-T251 PolarHBondContact O-OG1 2.9Å; R180-T251 HydrophobicContact CG-CG2 4.34Å; Q249-T251 PolarHBondContact O-N 2.98Å; Q249-T251 VanDerWaalsContact O-N 3.09Å; T251-R253 VanDerWaalsContact C-N 3.3Å; T251-R253 PolarHBondContact O-N 3.05Å
252	S	69	Low	77.6	Confident	77 Å²	77	57.6 Å²	57.6	54%	0.538	29%	0.289	S	S	.	.	S	Bend	trans	-71.5	-20.2	-171.9	76.3	0	0	0	0	114.3	E250	E250-S252 VanDerWaalsContact CG-OG 3.23Å; E250-S252 WeakPolarHBondContact CG-OG 3.47Å; E250-S252 PolarHBondContact OE1-OG 2.83Å
253	R	73.1	Confident	77.3	Confident	168 Å²	168	52.7 Å²	52.7	63%	0.634	26%	0.264	S	S	*	.	S	Bend	trans	-124.4	172.8	-172	-72.7	170.1	-177.6	-170.9	-0.5	111.4	A169 R180 E250 T251	A169-R253 VanDerWaalsContact CA-O 3.26Å; A169-R253 WeakPolarHBondContact CA-O 3.45Å; A169-R253 WeakPolarHBondContact CB-O 3.21Å; A169-R253 PolarHBondContact N-O 2.89Å; R180-R253 PolarHBondContact NH2-O 3.22Å; E250-R253 IonicContact OE1-NE 3.79Å; T251-R253 VanDerWaalsContact C-N 3.3Å; T251-R253 PolarHBondContact O-N 3.05Å
254	L	77.9	Confident	76.3	Confident	88 Å²	88	54.5 Å²	54.5	46%	0.461	27%	0.272	S	S	.	.			trans	-69.6	139.3	163.6	-175.4	75.5	0	0	0	108.5	I167 Q256	I167-L254 WeakPolarHBondContact O-CD1 3.33Å; L254-Q256 HydrophobicContact CD2-CG 3.83Å; L254-Q256 HydrophobicContact CG-CG 4.16Å
255	L	80.6	Confident	75.2	Confident	1 Å²	1	57 Å²	57	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.3	168.4	178.6	66.8	0	0	0	108.8	I167 R180 F182 I231 L257	I167-L255 HydrophobicContact CB-CB 4.41Å; I167-L255 HydrophobicContact CD1-CD2 4.44Å; I167-L255 PolarHBondContact N-O 3.21Å; I167-L255 PolarHBondContact O-N 2.88Å; R180-L255 VanDerWaalsContact CD-CD2 3.46Å; F182-L255 HydrophobicContact CZ-CD2 4.15Å; I231-L255 HydrophobicContact CG2-CD1 3.82Å; L255-L257 HydrophobicContact CD1-CD2 4.15Å; L255-L257 HydrophobicContact CD2-CD1 4.26Å; L255-L257 HydrophobicContact CD2-CD2 4.39Å; L255-L257 HydrophobicContact CD2-CG 4.32Å; L255-L257 HydrophobicContact CG-CD2 4.2Å; L255-L257 HydrophobicContact CG-CG 4.15Å
256	Q	80.4	Confident	73.9	Confident	55 Å²	55	60.7 Å²	60.7	26%	0.257	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.7	173.3	-62.7	-177.8	-91	0	0	109.7	V165 N232 L254	V165-Q256 CarbonylContact O-C 3.58Å; V165-Q256 WeakPolarHBondContact O-CA 3.46Å; N232-Q256 PolarHBondContact N-O 2.87Å; N232-Q256 PolarHBondContact OD1-N 3.08Å; L254-Q256 HydrophobicContact CD2-CG 3.83Å; L254-Q256 HydrophobicContact CG-CG 4.16Å
257	L	81.9	Confident	72.1	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131	-179.6	-62	177.7	0	0	0	110.5	V165 F182 I228 E230 I231 L255 I259	V165-L257 PolarHBondContact N-O 3.33Å; V165-L257 PolarHBondContact O-N 2.87Å; F182-L257 HydrophobicContact CE2-CD1 3.96Å; F182-L257 HydrophobicContact CZ-CD1 3.67Å; I228-L257 HydrophobicContact CG2-CD2 4.35Å; E230-L257 WeakPolarHBondContact O-CA 3.48Å; I231-L257 HydrophobicContact CB-CD2 4.23Å; I231-L257 HydrophobicContact CG1-CD2 3.79Å; I231-L257 HydrophobicContact CG2-CD2 4.12Å; L255-L257 HydrophobicContact CD1-CD2 4.15Å; L255-L257 HydrophobicContact CD2-CD1 4.26Å; L255-L257 HydrophobicContact CD2-CD2 4.39Å; L255-L257 HydrophobicContact CD2-CG 4.32Å; L255-L257 HydrophobicContact CG-CD2 4.2Å; L255-L257 HydrophobicContact CG-CG 4.15Å; L257-I259 HydrophobicContact CB-CD1 3.95Å; L257-I259 HydrophobicContact CB-CG1 3.81Å; L257-I259 HydrophobicContact CD1-CD1 4.21Å
258	T	80.9	Confident	70	Confident	11 Å²	11	62.5 Å²	62.5	7%	0.067	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	116.6	166.1	-52.5	0	0	0	0	107.6	V162 T163 L229 E230	V162-T258 HydrophobicContact CG1-CG2 4.02Å; T163-T258 CarbonylContact O-C 3.55Å; T163-T258 WeakPolarHBondContact O-CA 3.24Å; L229-T258 HydrophobicContact CB-CG2 4.34Å; L229-T258 HydrophobicContact CD1-CG2 4.46Å; L229-T258 PolarHBondContact N-O 3.4Å; E230-T258 PolarHBondContact N-O 2.65Å; E230-T258 PolarHBondContact O-N 2.69Å; E230-T258 VanDerWaalsContact O-N 3.1Å; E230-T258 WeakPolarHBondContact OE2-CB 3.3Å; E230-T258 PolarHBondContact OE2-OG1 2.84Å
259	I	83.8	Confident	68	Low	1 Å²	1	65.5 Å²	65.5	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.6	-168.6	-56	-178.8	0	0	0	109.9	V162 T163 V165 I222 D226 K227 L257	V162-I259 CarbonylContact C-O 3.46Å; V162-I259 VanDerWaalsContact CA-O 3.26Å; V162-I259 WeakPolarHBondContact CA-O 3.41Å; T163-I259 PolarHBondContact N-O 2.89Å; T163-I259 PolarHBondContact O-N 2.95Å; V165-I259 HydrophobicContact CB-CD1 4.33Å; V165-I259 HydrophobicContact CG2-CD1 4.02Å; I222-I259 HydrophobicContact CD1-CD1 4.19Å; I222-I259 HydrophobicContact CG1-CD1 3.86Å; D226-I259 HydrophobicContact CB-CG2 3.59Å; K227-I259 CarbonylContact O-C 3.5Å; K227-I259 WeakPolarHBondContact O-CA 3.49Å; L257-I259 HydrophobicContact CB-CD1 3.95Å; L257-I259 HydrophobicContact CB-CG1 3.81Å; L257-I259 HydrophobicContact CD1-CD1 4.21Å
260	E	83	Confident	65.9	Low	34 Å²	34	65.1 Å²	65.1	16%	0.159	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.6	175.3	174.6	176.3	-144.4	0	0	110.7	H160 T161 V162 K227 L229	H160-E260 IonicContact CD2-OE1 3.49Å; H160-E260 IonicContact CE1-OE1 3.58Å; H160-E260 IonicContact NE2-OE1 2.84Å; H160-E260 PolarHBondContact NE2-OE1 2.79Å; T161-E260 WeakPolarHBondContact O-CA 3.2Å; V162-E260 HydrophobicContact CG2-CB 4.34Å; V162-E260 HydrophobicContact CG2-CG 4.31Å; K227-E260 HydrophobicContact CB-CB 4.39Å; K227-E260 PolarHBondContact N-O 3.35Å; K227-E260 IonicContact NZ-OE2 3.67Å; K227-E260 PolarHBondContact NZ-OE2 3.36Å; K227-E260 PolarHBondContact O-N 2.97Å; L229-E260 HydrophobicContact CD1-CB 3.98Å; L229-E260 HydrophobicContact CD2-CB 4.33Å; L229-E260 HydrophobicContact CG-CB 4.1Å
261	H	81.5	Confident	63.7	Low	32 Å²	32	67.3 Å²	67.3	15%	0.148	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.4	169.9	-177.3	80.6	0	0	0	109.5	H160 T161 D226	H160-H261 WeakPolarHBondContact CA-O 3.41Å; H160-H261 PolarHBondContact CD2-O 3.49Å; T161-H261 PolarHBondContact N-O 3.1Å; T161-H261 PolarHBondContact O-N 2.86Å; D226-H261 IonicContact OD1-CE1 2.89Å; D226-H261 IonicContact OD1-CG 3.09Å; D226-H261 IonicContact OD1-ND1 3.24Å; D226-H261 PolarHBondContact OD1-ND1 3.43Å
262	D	77.6	Confident	61.9	Low	53 Å²	53	74.5 Å²	74.5	28%	0.283	43%	0.431	S	S	.	.			trans	-119.9	107.5	174.6	-173.5	-9.9	0	0	0	110.8	H264 A265	D262-H264 PolarHBondContact O-N 3.28Å; D262-H264 IonicContact OD1-CD2 3.78Å; D262-H264 PolarHBondContact OD1-N 3.11Å; D262-A265 HydrophobicContact CB-CB 4Å; D262-A265 PolarHBondContact O-N 3.32Å
263	P	67.1	Low	59.9	Low	17 Å²	17	75.8 Å²	75.8	11%	0.11	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.2	-178.1	30.6	-36.8	0	0	0	113.9	I158	I158-P263 WeakPolarHBondContact O-CG 3.44Å
264	H	58.8	Low	57.8	Low	135 Å²	135	76.5 Å²	76.5	63%	0.625	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-19.1	176.7	-63.3	-67.5	0	0	0	113.1	D262 Q266 E267	D262-H264 PolarHBondContact O-N 3.28Å; D262-H264 IonicContact OD1-CD2 3.78Å; D262-H264 PolarHBondContact OD1-N 3.11Å; H264-Q266 PolarHBondContact O-N 3.02Å; H264-E267 PolarHBondContact O-N 3.21Å
265	A	55.6	Low	55.4	Low	53 Å²	53	79.9 Å²	79.9	44%	0.438	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.1	-179.4	0	0	0	0	0	113.9	D262	D262-A265 HydrophobicContact CB-CB 4Å; D262-A265 PolarHBondContact O-N 3.32Å
266	Q	49.3	Very low	52.8	Low	149 Å²	149	87.7 Å²	87.7	70%	0.696	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.1	177.2	-86.4	-174.7	-23.8	0	0	114.7	H264	H264-Q266 PolarHBondContact O-N 3.02Å
267	E	40.4	Very low	50.3	Low	110 Å²	110	90.5 Å²	90.5	51%	0.514	53%	0.532	S	S	.	.	S	Bend	trans	-95	-5.5	-174.7	-76	-179.6	149.2	0	0	114.6	R157 H264 G269	R157-E267 IonicContact CZ-OE1 2.68Å; R157-E267 VanDerWaalsContact CZ-OE1 3.24Å; R157-E267 IonicContact NH1-OE1 2.93Å; R157-E267 PolarHBondContact NH1-OE1 3.4Å; R157-E267 IonicContact NH1-OE2 3.26Å; R157-E267 PolarHBondContact NH1-OE2 3.46Å; R157-E267 IonicContact NH2-OE1 2.68Å; R157-E267 PolarHBondContact NH2-OE1 2.94Å; H264-E267 PolarHBondContact O-N 3.21Å; E267-G269 PolarHBondContact O-N 2.8Å
268	G	33	Very low	47.6	Very low	86 Å²	86	98.2 Å²	98.2	89%	0.887	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	25.9	177.5	0	0	0	0	0	115.6
269	G	35.1	Very low	44.9	Very low	67 Å²	67	101.4 Å²	101.4	69%	0.691	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	5.9	-159.5	0	0	0	0	0	117.5	E267	E267-G269 PolarHBondContact O-N 2.8Å
270	S	28.8	Very low	42	Very low	108 Å²	108	107.1 Å²	107.1	76%	0.755	65%	0.647	S	S	*	*	S	Bend	trans	-171.3	140.5	161.9	48.7	0	0	0	0	115.3
271	S	29.3	Very low	39.3	Very low	119 Å²	119	112.8 Å²	112.8	83%	0.832	68%	0.677	S	S	*	*			trans	75.4	112.7	150.3	-55.9	0	0	0	0	120.1
272	E	32.2	Very low	36.6	Very low	200 Å²	200	116.2 Å²	116.2	94%	0.935	71%	0.705	S	S	*	*			trans	-62	136.4	161.1	-55.9	162.9	140.1	0	0	111.2
273	A	28.3	Very low	34	Very low	103 Å²	103	119.8 Å²	119.8	85%	0.851	73%	0.729	S	S	*	*			trans	-157.4	120.3	153.8	0	0	0	0	0	109.2
274	E	29.3	Very low	32.5	Very low	183 Å²	183	124.1 Å²	124.1	86%	0.855	76%	0.757	S	S	*	*			trans	-74.8	142.9	171.7	-56.3	174.9	122.9	0	0	109.8
275	D	26.5	Very low	30.9	Very low	159 Å²	159	124 Å²	124	85%	0.85	77%	0.765	S	S	*	*				-157.2	151.5	127.4	-127	-26.8	0	0	0	112.8
276	Q	26.2	Very low	29.4	Very low	166 Å²	166	125.8 Å²	125.8	78%	0.776	78%	0.775	S	S	*	*			trans	-84.6	175.3	179.4	-61.8	167.7	19.2	0	0	108.7
277	V	28.1	Very low	28.2	Very low	114 Å²	114	125.8 Å²	125.8	69%	0.691	78%	0.78	S	S	*	*				-170.3	147.8	51.1	178	0	0	0	0	110.2
278	D	25	Very low	27.3	Very low	163 Å²	163	124 Å²	124	87%	0.872	79%	0.791	S	S	*	*			trans	58	140.5	156.6	-71.6	-21.8	0	0	0	125.2
279	G	25	Very low	27.5	Very low	78 Å²	78	126.3 Å²	126.3	80%	0.804	79%	0.79	S	S	*	*				127.7	64.1	119	0	0	0	0	0	119.1
280	C	22.1	Very low	27.2	Very low	121 Å²	121	128.4 Å²	128.4	82%	0.818	79%	0.794	S	S	*	*			trans	-84.4	132.7	163.6	-178.5	0	0	0	0	111
281	L	26.5	Very low	27.5	Very low	152 Å²	152	129.4 Å²	129.4	80%	0.796	80%	0.798	S	S	*	*			trans	169.1	136.5	131.2	-91.8	159.2	0	0	0	114.9
282	S	24.7	Very low	27.3	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	80%	0.801	S	S	*	*			trans	75.7	136.5	142	-58.1	0	0	0	0	123.6
283	T	22.9	Very low	27.1	Very low	129 Å²	129	128.7 Å²	128.7	79%	0.791	80%	0.796	S	S	*	*			trans	-61	-175.2	160.2	51.9	0	0	0	0	112.8
284	P	36.2	Very low	27.6	Very low	107 Å²	107	128.9 Å²	128.9	70%	0.695	79%	0.789	S	S	*	*			cis	-146.3	171.6	11.9	34.1	-8.7	0	0	0	119.7
285	V	24.2	Very low	27.5	Very low	132 Å²	132	127.6 Å²	127.6	80%	0.8	79%	0.786	S	S	*	*			trans	50.4	122.2	134.3	177.1	0	0	0	0	122.6
286	S	25.4	Very low	27.4	Very low	91 Å²	91	125.1 Å²	125.1	64%	0.636	78%	0.777	S	S	*	*				143.9	149.2	112.1	-122.6	0	0	0	0	118.7
287	D	22.5	Very low	27.3	Very low	150 Å²	150	126.5 Å²	126.5	80%	0.802	78%	0.783	S	S	*	*			trans	75.7	134.5	147	-56.7	-9.6	0	0	0	123.2
288	G	21.6	Very low	27.2	Very low	72 Å²	72	125.4 Å²	125.4	74%	0.742	79%	0.786	S	S	*	*			trans	-96.7	-143.8	166.9	0	0	0	0	0	111.9
289	P	37.7	Very low	27.6	Very low	134 Å²	134	123.8 Å²	123.8	87%	0.87	78%	0.784	S	S	*	*			cis	-133.7	-162.8	2.6	41.5	-21.7	0	0	0	114.6
290	S	28.4	Very low	27.7	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	79%	0.786	S	S	*	*			trans	-69.8	171.9	-174.6	-35.4	0	0	0	0	117.3
291	P	36.1	Very low	28.5	Very low	129 Å²	129	126.8 Å²	126.8	84%	0.838	78%	0.78	S	S	*	*				-141.5	-166.9	125.7	37.1	-21.1	0	0	0	116.4
292	T	23.9	Very low	28.5	Very low	144 Å²	144	126.1 Å²	126.1	88%	0.883	78%	0.777	S	S	*	*			trans	-105.2	172.4	-145.6	6.8	0	0	0	0	119.5
293	L	29.3	Very low	28.7	Very low	159 Å²	159	127.8 Å²	127.8	83%	0.832	78%	0.776	S	S	*	*			trans	-57	-178	168.5	-71.1	169.1	0	0	0	115.2
294	P	38.7	Very low	28.8	Very low	108 Å²	108	126.1 Å²	126.1	70%	0.701	77%	0.77	S	S	*	*			cis	-154.5	-161.2	29.1	36.6	-8.5	0	0	0	119.7
295	I	26.3	Very low	28.4	Very low	156 Å²	156	128 Å²	128	80%	0.8	77%	0.774	S	S	*	*			trans	110.4	145.5	156.8	-61.5	168.8	0	0	0	117.7
296	T	25.1	Very low	28.6	Very low	106 Å²	106	128.1 Å²	128.1	65%	0.65	77%	0.77	S	S	*	*			cis	-172.6	135.2	-41	-79.4	0	0	0	0	112.5
297	Q	24.1	Very low	28.7	Very low	195 Å²	195	132.8 Å²	132.8	91%	0.911	78%	0.779	S	S	*	*			trans	69.5	161.4	156.9	-79.1	169.2	-10.2	0	0	124.9
298	A	25.5	Very low	28.9	Very low	91 Å²	91	130.4 Å²	130.4	75%	0.752	77%	0.774	S	S	*	*			trans	-115.9	174.6	-177.7	0	0	0	0	0	112.5
299	P	33.4	Very low	29.1	Very low	129 Å²	129	139.1 Å²	139.1	84%	0.838	78%	0.784	S	S	*	*				-155.2	175.4	103	40.5	-21.9	0	0	0	117.6
300	N	27.2	Very low	28.6	Very low	156 Å²	156	139.2 Å²	139.2	83%	0.834	78%	0.776	S	S	*	*			trans	-85.3	171.1	163.8	-111.2	-5.8	0	0	0	110.5
301	P	38	Very low	28.5	Very low	107 Å²	107	141.9 Å²	141.9	70%	0.695	78%	0.78	S	S	*	*			cis	-154.4	179.4	42.2	43	-20.3	0	0	0	120.5
302	D	26.3	Very low	28	Very low	138 Å²	138	141.3 Å²	141.3	74%	0.738	77%	0.774	S	S	*	*			trans	83.8	126.7	137.8	-85.1	-14.7	0	0	0	128.4
303	I	29.4	Very low	28.1	Very low	139 Å²	139	146.3 Å²	146.3	71%	0.713	78%	0.777	S	S	*	*			trans	83.5	104.8	134.6	-66.5	166.3	0	0	0	122.6
304	S	26.2	Very low	27.8	Very low	94 Å²	94	143.9 Å²	143.9	66%	0.657	77%	0.773	S	S	*	*				144.3	130.5	108.1	56.6	0	0	0	0	118.7
305	N	27.5	Very low	27.3	Very low	147 Å²	147	145 Å²	145	79%	0.786	78%	0.782	S	S	*	*			trans	57.2	148.2	142.1	-60.7	-27.9	0	0	0	120.8
306	L	28.4	Very low	27.3	Very low	133 Å²	133	141.8 Å²	141.8	70%	0.696	77%	0.773	S	S	*	*			cis	-161.3	152	-8.5	-137.7	69.7	0	0	0	103.8
307	K	26.9	Very low	27.4	Very low	190 Å²	190	144.6 Å²	144.6	83%	0.826	78%	0.783	S	S	*	*				176.3	147	57.3	-143.3	162.4	-168.4	168.5	0	108.5
308	S	26.4	Very low	27.5	Very low	100 Å²	100	141.4 Å²	141.4	70%	0.699	77%	0.771	S	S	*	*			trans	-101	169.4	176.7	55.1	0	0	0	0	113
309	R	27	Very low	27.7	Very low	254 Å²	254	146.7 Å²	146.7	96%	0.958	78%	0.778	S	S	*	*			trans	-132.5	128.5	157.5	-80.5	-169.2	177.4	-172.9	0.9	110.6
310	I	26.1	Very low	27.6	Very low	136 Å²	136	146 Å²	146	70%	0.697	78%	0.776	S	S	*	*			trans	-119.4	143.2	170.4	-66.7	168.1	0	0	0	106.5	T312	I310-T312 HydrophobicContact CG2-CG2 4.3Å
311	I	25.9	Very low	28.4	Very low	169 Å²	169	144.9 Å²	144.9	87%	0.867	78%	0.777	S	S	*	*			trans	-132.5	117.5	153.9	-60.8	-178.1	0	0	0	108
312	T	25.6	Very low	27.8	Very low	117 Å²	117	143 Å²	143	72%	0.718	78%	0.777	S	S	*	*			trans	-114.5	154.6	163.2	43.7	0	0	0	0	108.7	I310	I310-T312 HydrophobicContact CG2-CG2 4.3Å
313	R	26.1	Very low	27.9	Very low	249 Å²	249	141.7 Å²	141.7	94%	0.94	78%	0.779	S	S	*	*			trans	-139.5	126.7	157.7	-108.8	-174.9	169.1	176.1	-4.2	110.6
314	S	24.6	Very low	27.8	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	78%	0.777	S	S	*	*			trans	-69.9	172.3	172.2	-12.8	0	0	0	0	110.6
315	C	26.5	Very low	28	Very low	131 Å²	131	142.6 Å²	142.6	89%	0.885	79%	0.785	S	S	*	*				-153.2	162.7	58.9	-72.3	0	0	0	0	114.7
316	S	26.2	Very low	28	Very low	88 Å²	88	140.1 Å²	140.1	62%	0.615	79%	0.785	S	S	*	*			trans	-84.7	168.5	174.5	-173	0	0	0	0	112.7
317	I	28.4	Very low	27.9	Very low	166 Å²	166	138 Å²	138	85%	0.851	79%	0.787	S	S	*	*				-163.5	138.5	119.2	-93.9	149.7	0	0	0	110.6
318	D	26.7	Very low	28	Very low	127 Å²	127	134.6 Å²	134.6	68%	0.679	79%	0.787	S	S	*	*			trans	-77.2	155.8	-179.1	-54.4	-91.7	0	0	0	115
319	K	29.4	Very low	28.6	Very low	203 Å²	203	135.3 Å²	135.3	88%	0.883	79%	0.79	S	S	*	*				159.6	127	111.6	-86.9	178.6	-176.1	179.5	0	114.6
320	S	31	Very low	28.9	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	78%	0.784	S	S	*	*			trans	-73.8	178.8	154.3	-43.6	0	0	0	0	110.4
321	P	43.1	Very low	29.2	Very low	132 Å²	132	128.6 Å²	128.6	86%	0.857	79%	0.788	S	S	*	*			cis	-139.9	-172.2	7.8	43	-24	0	0	0	115.3
322	G	25.6	Very low	29.8	Very low	68 Å²	68	129 Å²	129	70%	0.701	79%	0.786	S	S	*	*			trans	142.9	97.6	149.8	0	0	0	0	0	120.6
323	S	28.5	Very low	30.1	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	79%	0.793	S	S	*	*			trans	44.1	120.8	140.1	69.2	0	0	0	0	124.7
324	S	28.5	Very low	30.7	Very low	98 Å²	98	131.9 Å²	131.9	69%	0.685	79%	0.789	S	S	*	*				73.9	135.1	122.3	68.6	0	0	0	0	124.4
325	N	28.8	Very low	31	Very low	154 Å²	154	133.9 Å²	133.9	82%	0.824	79%	0.791	S	S	*	*			trans	91.3	107.5	145.9	-67	-4.4	0	0	0	122.4
326	A	28.6	Very low	31.9	Very low	95 Å²	95	135.6 Å²	135.6	79%	0.785	79%	0.789	S	S	*	*				72.3	119.7	122.2	0	0	0	0	0	123.2
327	A	26.9	Very low	32.3	Very low	90 Å²	90	138.4 Å²	138.4	74%	0.744	80%	0.798	S	S	*	*			trans	65.4	104.8	136.6	0	0	0	0	0	122.2
328	S	27.4	Very low	32.7	Very low	118 Å²	118	141.7 Å²	141.7	83%	0.825	80%	0.799	S	S	*	*				58.8	164.9	126.9	-54.1	0	0	0	0	121.3
329	P	39.8	Very low	33.2	Very low	115 Å²	115	141.3 Å²	141.3	75%	0.747	81%	0.806	S	S	*	*			cis	-128.2	171.6	-20.1	27.5	-5.5	0	0	0	114.9
330	V	32.9	Very low	33.4	Very low	137 Å²	137	140.9 Å²	140.9	83%	0.83	81%	0.807	S	S	*	*			trans	41.4	114	151.2	-178.9	0	0	0	0	120
331	S	32	Very low	33.7	Very low	112 Å²	112	140 Å²	140	78%	0.783	80%	0.801	S	S	*	*			trans	-158.9	125.5	140.9	-174.4	0	0	0	0	111.9	R333	S331-R333 PolarHBondContact O-N 2.89Å
332	H	39.4	Very low	33.3	Very low	178 Å²	178	142.1 Å²	142.1	82%	0.824	81%	0.805	S	S	*	*			trans	-76.4	115.5	172.2	-87.3	-87	0	0	0	110.9
333	R	32.2	Very low	34	Very low	233 Å²	233	149 Å²	149	88%	0.879	81%	0.81	S	S	*	*			trans	-135.8	126.4	145.5	-71.4	-163	173.8	-163	-1.9	110	S331	S331-R333 PolarHBondContact O-N 2.89Å
334	K	38.1	Very low	34.2	Very low	193 Å²	193	150 Å²	150	84%	0.839	81%	0.811	S	S	*	*			trans	-83.5	113.8	173.5	-74.7	177.9	172.6	180	0	108.2
335	D	31	Very low	34.4	Very low	150 Å²	150	151.4 Å²	151.4	80%	0.802	81%	0.814	S	S	*	*			trans	-89.6	119.4	160.3	-75.7	-38	0	0	0	109.1	N337	D335-N337 PolarHBondContact O-N 2.86Å
336	I	46.2	Very low	34.9	Very low	166 Å²	166	148.1 Å²	148.1	85%	0.851	80%	0.804	S	S	*	*			trans	-74	107.1	178.5	-67	167.6	0	0	0	107.7
337	N	33.4	Very low	35.5	Very low	148 Å²	148	151.4 Å²	151.4	79%	0.791	81%	0.808	S	S	*	*			trans	-129.9	148.3	170	-108.2	-37	0	0	0	112	D335	D335-N337 PolarHBondContact O-N 2.86Å
338	R	37.6	Very low	36.9	Very low	235 Å²	235	153.5 Å²	153.5	89%	0.887	80%	0.797	S	S	*	*	S	Bend	trans	-66.2	145.9	-164.8	-76.3	169.2	148.7	106.1	-8.4	113.2
339	S	37.8	Very low	38.5	Very low	118 Å²	118	154.2 Å²	154.2	83%	0.825	80%	0.796	S	S	*	*			trans	83	44.2	158.7	-45.1	0	0	0	0	118.7	S341	S339-S341 PolarHBondContact O-N 2.82Å; S339-S341 VanDerWaalsContact O-N 3.09Å
340	E	32.9	Very low	40.6	Very low	194 Å²	194	152 Å²	152	91%	0.907	78%	0.776	S	S	*	*			trans	-70.1	98.2	151	-78.7	-166	145	0	0	109.9	L342	E340-L342 PolarHBondContact O-N 3.36Å
341	S	37.1	Very low	43.2	Very low	96 Å²	96	149.6 Å²	149.6	67%	0.671	75%	0.752	S	S	*	*			trans	-64.2	130.8	162.6	-178.9	0	0	0	0	108.5	S339 R343	S339-S341 PolarHBondContact O-N 2.82Å; S339-S341 VanDerWaalsContact O-N 3.09Å; S341-R343 PolarHBondContact O-N 2.97Å
342	L	35.5	Very low	45.9	Very low	177 Å²	177	151 Å²	151	93%	0.927	75%	0.749	S	S	*	*			trans	-62	78.6	177.4	-70.5	168.7	0	0	0	112	E340	E340-L342 PolarHBondContact O-N 3.36Å
343	R	38.7	Very low	48.3	Very low	213 Å²	213	142.9 Å²	142.9	80%	0.804	71%	0.711	S	S	*	*			trans	-85.9	107	163.3	-65.9	-173	-173.9	-176.3	4.2	107	S341 V345	S341-R343 PolarHBondContact O-N 2.97Å; R343-V345 PolarHBondContact O-N 2.92Å
344	V	33.1	Very low	51	Low	131 Å²	131	140.2 Å²	140.2	79%	0.794	70%	0.701	S	S	*	*			trans	-54.9	112.6	158.7	174.9	0	0	0	0	106.6	S346	V344-S346 PolarHBondContact O-N 2.79Å
345	V	32.4	Very low	53.4	Low	126 Å²	126	133.5 Å²	133.5	76%	0.764	68%	0.678	S	S	*	*			trans	-77.9	77.2	178.3	-175.3	0	0	0	0	108.3	R343	R343-V345 PolarHBondContact O-N 2.92Å
346	S	39.8	Very low	56.3	Low	86 Å²	86	129.5 Å²	129.5	60%	0.601	66%	0.661	S	S	*	*			trans	-67.6	133.3	153.6	-62.3	0	0	0	0	107.6	V344 R348	V344-S346 PolarHBondContact O-N 2.79Å; S346-R348 PolarHBondContact O-N 2.91Å
347	N	41.9	Very low	58.4	Low	164 Å²	164	123.4 Å²	123.4	88%	0.877	63%	0.631	S	S	*	*	S	Bend	trans	-68.8	28.2	-176.3	-109.2	1.8	0	0	0	114.4
348	R	55.6	Low	61.3	Low	133 Å²	133	116.6 Å²	116.6	50%	0.502	59%	0.594	S	S	.	*			trans	-142.6	88	-168.5	-62.3	-175.3	179.8	-144.5	10.8	111	S346 H350 D411	S346-R348 PolarHBondContact O-N 2.91Å; R348-H350 PolarHBondContact O-N 2.87Å; R348-D411 IonicContact CZ-OD1 2.7Å; R348-D411 VanDerWaalsContact CZ-OD1 3.25Å; R348-D411 IonicContact CZ-OD2 2.95Å; R348-D411 IonicContact NE-OD2 2.69Å; R348-D411 IonicContact NH1-OD1 3.63Å; R348-D411 PolarHBondContact NH1-OD1 2.86Å; R348-D411 IonicContact NH1-OD2 2.87Å; R348-D411 PolarHBondContact NH1-OD2 2.84Å; R348-D411 VanDerWaalsContact NH2-CG 3.25Å; R348-D411 IonicContact NH2-OD1 2.81Å; R348-D411 PolarHBondContact NH2-OD1 2.85Å; R348-D411 VanDerWaalsContact NH2-OD1 3.1Å; R348-D411 IonicContact NH2-OD2 2.96Å; R348-D411 PolarHBondContact NH2-OD2 3Å
349	T	60.7	Low	64	Low	133 Å²	133	109.7 Å²	109.7	82%	0.816	57%	0.574	S	S	*	*			trans	-80.8	103.2	166.8	48.7	0	0	0	0	109.4	R351	T349-R351 PolarHBondContact O-N 3.49Å
350	H	83.6	Confident	66.7	Low	70 Å²	70	108.1 Å²	108.1	32%	0.324	55%	0.553	S	S	.	*			trans	-53.5	136.1	166.3	-60.1	127.5	0	0	0	110	R348 R408 F418	R348-H350 PolarHBondContact O-N 2.87Å; H350-R408 PolarHBondContact CE1-O 3.32Å; H350-R408 VanDerWaalsContact CE1-O 3.24Å; H350-F418 HydrophobicContact CB-CD1 4.39Å; H350-F418 HydrophobicContact CB-CE1 4.09Å; H350-F418 AromaticContact CD2-CD1 3.64Å; H350-F418 AromaticContact CG-CD1 3.85Å; H350-F418 AromaticContact CG-CE1 3.94Å; H350-F418 AromaticContact NE2-CD1 3.98Å
351	R	88.9	Confident	69.5	Low	85 Å²	85	101 Å²	101	32%	0.321	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	150.4	-172.9	-70.2	-179.6	-77.7	-178.7	-5.7	111.4	T349 F353 E382 I419 G420 V421	T349-R351 PolarHBondContact O-N 3.49Å; R351-F353 HydrophobicContact CB-CD2 4.24Å; R351-F353 HydrophobicContact CB-CE1 4.3Å; R351-F353 HydrophobicContact CB-CE2 3.63Å; R351-F353 HydrophobicContact CB-CZ 3.68Å; R351-F353 HydrophobicContact CG-CZ 4.42Å; R351-E382 IonicContact CZ-OE1 2.8Å; R351-E382 IonicContact CZ-OE2 2.71Å; R351-E382 VanDerWaalsContact CZ-OE2 3.26Å; R351-E382 IonicContact NH1-OE1 3.6Å; R351-E382 IonicContact NH1-OE2 3.43Å; R351-E382 PolarHBondContact NH1-OE2 3.1Å; R351-E382 IonicContact NH2-OE1 3.21Å; R351-E382 PolarHBondContact NH2-OE1 2.86Å; R351-E382 IonicContact NH2-OE2 3.61Å; R351-E382 PolarHBondContact NH2-OE2 2.83Å; R351-I419 PolarHBondContact N-O 3.21Å; R351-G420 CarbonylContact O-C 3.59Å; R351-G420 WeakPolarHBondContact O-CA 3.35Å; R351-V421 PolarHBondContact O-N 3.33Å
352	I	88.6	Confident	72.1	Confident	141 Å²	141	101.2 Å²	101.2	72%	0.723	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.5	167.7	-58.3	177.4	0	0	0	106.1	V421	I352-V421 WeakPolarHBondContact CA-O 3.49Å; I352-V421 HydrophobicContact CG1-CG2 4.04Å
353	F	89.3	Confident	74.7	Confident	8 Å²	8	96.1 Å²	96.1	4%	0.035	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	145.7	-179.6	-58.6	-88.4	0	0	0	110.4	R351 L358 H377 M384 I419 V421 L422 I431	R351-F353 HydrophobicContact CB-CD2 4.24Å; R351-F353 HydrophobicContact CB-CE1 4.3Å; R351-F353 HydrophobicContact CB-CE2 3.63Å; R351-F353 HydrophobicContact CB-CZ 3.68Å; R351-F353 HydrophobicContact CG-CZ 4.42Å; F353-L358 HydrophobicContact CB-CD1 4.34Å; F353-L358 HydrophobicContact CB-CG 4.43Å; F353-L358 HydrophobicContact CD1-CD2 4.02Å; F353-L358 HydrophobicContact CE1-CD2 4.45Å; F353-L358 HydrophobicContact CG-CD2 4.45Å; F353-H377 AromaticContact CD1-CD2 3.95Å; F353-H377 AromaticContact CE1-CD2 3.95Å; F353-M384 HydrophobicContact CE1-CE 3.93Å; F353-M384 HydrophobicContact CE1-SD 4.41Å; F353-M384 HydrophobicContact CZ-CE 3.92Å; F353-M384 HydrophobicContact CZ-SD 3.86Å; F353-I419 HydrophobicContact CE2-CG2 3.96Å; F353-I419 HydrophobicContact CZ-CG2 3.86Å; F353-V421 PolarHBondContact N-O 3.21Å; F353-L422 HydrophobicContact CB-CB 4.33Å; F353-L422 HydrophobicContact CB-CD1 4.3Å; F353-I431 HydrophobicContact CD2-CB 4.27Å; F353-I431 HydrophobicContact CD2-CG1 3.63Å; F353-I431 HydrophobicContact CE2-CB 3.98Å; F353-I431 HydrophobicContact CE2-CG1 3.86Å; F353-I431 HydrophobicContact CE2-CG2 4.09Å
354	R	89.1	Confident	77	Confident	177 Å²	177	89.5 Å²	89.5	67%	0.668	48%	0.479	S	S	*	.			trans	-92.6	155	167.5	-51.7	173.8	175.1	-146.8	-2.9	109.4	S356 D357	R354-S356 VanDerWaalsContact CB-OG 3.3Å; R354-S356 WeakPolarHBondContact CB-OG 3.23Å; R354-S356 PolarHBondContact O-N 3.17Å; R354-S356 VanDerWaalsContact O-N 3.11Å; R354-D357 WeakPolarHBondContact CA-OD2 3.23Å; R354-D357 VanDerWaalsContact CB-OD2 3.25Å; R354-D357 WeakPolarHBondContact CB-OD2 3.49Å; R354-D357 WeakPolarHBondContact CG-OD2 3.49Å; R354-D357 PolarHBondContact N-OD2 3.34Å; R354-D357 WeakPolarHBondContact O-CB 3.4Å; R354-D357 PolarHBondContact O-N 3.09Å
355	P	89	Confident	79	Confident	52 Å²	52	84.9 Å²	84.9	34%	0.338	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.2	172.4	-26.7	36.3	0	0	0	114.3	D357 L422 K424	P355-D357 VanDerWaalsContact C-N 3.25Å; P355-D357 PolarHBondContact O-N 3.48Å; P355-L422 HydrophobicContact CG-CD2 4.23Å; P355-K424 HydrophobicContact CB-CD 4.3Å; P355-K424 HydrophobicContact CG-CB 3.84Å; P355-K424 HydrophobicContact CG-CD 4.11Å; P355-K424 HydrophobicContact CG-CG 3.85Å
356	S	90.7	Very high	81	Confident	66 Å²	66	86.4 Å²	86.4	46%	0.462	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.5	174.2	44.4	0	0	0	0	113.7	R354 K378	R354-S356 VanDerWaalsContact CB-OG 3.3Å; R354-S356 WeakPolarHBondContact CB-OG 3.23Å; R354-S356 PolarHBondContact O-N 3.17Å; R354-S356 VanDerWaalsContact O-N 3.11Å; S356-K378 VanDerWaalsContact O-CD 3.3Å; S356-K378 WeakPolarHBondContact O-CD 3.48Å; S356-K378 VanDerWaalsContact O-CE 3.24Å; S356-K378 WeakPolarHBondContact O-CE 3.23Å; S356-K378 PolarHBondContact O-NZ 2.94Å
357	D	90.9	Very high	82.1	Confident	39 Å²	39	84.8 Å²	84.8	21%	0.209	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-14.2	-162.7	-45.2	-16.2	0	0	0	111.5	R354 P355 H377 K378	R354-D357 WeakPolarHBondContact CA-OD2 3.23Å; R354-D357 VanDerWaalsContact CB-OD2 3.25Å; R354-D357 WeakPolarHBondContact CB-OD2 3.49Å; R354-D357 WeakPolarHBondContact CG-OD2 3.49Å; R354-D357 PolarHBondContact N-OD2 3.34Å; R354-D357 WeakPolarHBondContact O-CB 3.4Å; R354-D357 PolarHBondContact O-N 3.09Å; P355-D357 VanDerWaalsContact C-N 3.25Å; P355-D357 PolarHBondContact O-N 3.48Å; D357-H377 WeakPolarHBondContact O-CA 3.32Å; D357-H377 PolarHBondContact O-CD2 3.38Å; D357-K378 PolarHBondContact O-N 2.68Å
358	L	94.1	Very high	82.6	Confident	5 Å²	5	82 Å²	82	3%	0.026	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.7	-175.6	-57.8	-173.8	0	0	0	111.9	F353 H360 V375 T376 H377 M384 L422 I431	F353-L358 HydrophobicContact CB-CD1 4.34Å; F353-L358 HydrophobicContact CB-CG 4.43Å; F353-L358 HydrophobicContact CD1-CD2 4.02Å; F353-L358 HydrophobicContact CE1-CD2 4.45Å; F353-L358 HydrophobicContact CG-CD2 4.45Å; L358-H360 PolarHBondContact O-ND1 3.22Å; L358-V375 HydrophobicContact CB-CB 4.31Å; L358-V375 HydrophobicContact CD1-CB 4.25Å; L358-V375 HydrophobicContact CD1-CG2 4.06Å; L358-T376 WeakPolarHBondContact CA-O 3.46Å; L358-H377 HydrophobicContact CD2-CB 4.18Å; L358-M384 HydrophobicContact CD2-CE 3.66Å; L358-L422 HydrophobicContact CD1-CD1 3.5Å; L358-L422 VanDerWaalsContact CD1-CD1 3.5Å; L358-L422 HydrophobicContact CG-CD1 4.23Å; L358-I431 HydrophobicContact CD1-CD1 3.79Å
359	I	94.3	Very high	82.7	Confident	90 Å²	90	78.7 Å²	78.7	46%	0.462	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.8	165.1	-56.6	171.7	0	0	0	107.2	V375 T376 K378	I359-V375 CarbonylContact O-C 3.57Å; I359-V375 VanDerWaalsContact O-CA 3.23Å; I359-V375 WeakPolarHBondContact O-CA 3.34Å; I359-T376 PolarHBondContact N-O 3.42Å; I359-T376 PolarHBondContact O-N 3.12Å; I359-K378 HydrophobicContact CD1-CG 3.99Å; I359-K378 HydrophobicContact CG1-CD 4.27Å; I359-K378 HydrophobicContact CG1-CG 3.66Å
360	H	93.5	Very high	83.2	Confident	85 Å²	85	72.8 Å²	72.8	39%	0.394	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	131.8	177.2	-61.7	49.9	0	0	0	109.3	L358	L358-H360 PolarHBondContact O-ND1 3.22Å
361	G	92.7	Very high	83.3	Confident	45 Å²	45	71 Å²	71	46%	0.464	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-146.3	177.2	0	0	0	0	0	112.1	K374	G361-K374 WeakPolarHBondContact CA-O 3.5Å; G361-K374 PolarHBondContact N-O 3.2Å
362	E	92	Very high	83.3	Confident	100 Å²	100	68.3 Å²	68.3	47%	0.467	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	151.2	179.8	69	-109	-164.3	0	0	113.8	L364 K374	E362-L364 HydrophobicContact CG-CD2 3.81Å; E362-K374 VanDerWaalsContact CD-NZ 3.28Å; E362-K374 HydrophobicContact CG-CB 4.34Å; E362-K374 HydrophobicContact CG-CD 4.05Å; E362-K374 WeakPolarHBondContact O-CB 3.46Å; E362-K374 PolarHBondContact O-N 3.05Å; E362-K374 WeakPolarHBondContact OE1-CD 3.28Å; E362-K374 WeakPolarHBondContact OE1-CE 3.49Å; E362-K374 IonicContact OE1-NZ 3.92Å; E362-K374 PolarHBondContact OE1-NZ 3.01Å; E362-K374 WeakPolarHBondContact OE2-CD 3.5Å; E362-K374 IonicContact OE2-NZ 3.8Å; E362-K374 PolarHBondContact OE2-NZ 2.78Å
363	V	90.7	Very high	83.4	Confident	69 Å²	69	62.1 Å²	62.1	42%	0.418	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.7	167.3	179.9	0	0	0	0	107.8	K366 Q371	V363-K366 HydrophobicContact CG1-CG 3.89Å; V363-Q371 HydrophobicContact CG1-CB 4.25Å
364	L	85.3	Confident	83.7	Confident	75 Å²	75	63.8 Å²	63.8	39%	0.393	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-27.9	-177.5	-60.2	175.3	0	0	0	112.1	E362 A372 K374 V385 Y434	E362-L364 HydrophobicContact CG-CD2 3.81Å; L364-A372 HydrophobicContact CB-CB 4.37Å; L364-A372 PolarHBondContact N-O 3.33Å; L364-K374 HydrophobicContact CD1-CB 4.08Å; L364-K374 HydrophobicContact CD2-CB 4.22Å; L364-K374 HydrophobicContact CG-CB 4.11Å; L364-V385 HydrophobicContact CD1-CG1 4.21Å; L364-V385 HydrophobicContact CD1-CG2 3.61Å; L364-Y434 HydrophobicContact CD1-CD2 3.96Å; L364-Y434 HydrophobicContact CD1-CE2 3.82Å; L364-Y434 HydrophobicContact CD2-CE2 4.1Å
365	G	75.6	Confident	84	Confident	33 Å²	33	55.4 Å²	55.4	34%	0.34	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	153.3	177.5	0	0	0	0	0	112.3	Q371 A372	G365-Q371 WeakPolarHBondContact O-CA 3.34Å; G365-A372 PolarHBondContact N-O 2.85Å; G365-A372 PolarHBondContact O-N 3.17Å
366	K	75.1	Confident	84.3	Confident	159 Å²	159	55 Å²	55	69%	0.691	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.9	170.9	-64	-174.7	176.3	179.2	0	108	V363 Q371	V363-K366 HydrophobicContact CG1-CG 3.89Å; K366-Q371 HydrophobicContact CG-CB 4.07Å
367	G	62.9	Low	84.6	Confident	52 Å²	52	52.7 Å²	52.7	54%	0.536	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	177.2	177.2	0	0	0	0	0	111.4	F369 G370	G367-F369 PolarHBondContact O-N 2.83Å; G367-G370 PolarHBondContact N-O 3.17Å; G367-G370 PolarHBondContact O-N 3.03Å; G367-G370 VanDerWaalsContact O-N 3.08Å; G367-G370 VanDerWaalsContact O-O 3.07Å
368	C	53.1	Low	84.7	Confident	106 Å²	106	56.6 Å²	56.6	72%	0.716	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.7	-174.5	-56.1	0	0	0	0	113.9	R391	C368-R391 WeakPolarHBondContact O-CD 3.21Å
369	F	55.9	Low	84.6	Confident	63 Å²	63	64.5 Å²	64.5	28%	0.276	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-23.9	-178.2	-56.1	-71.9	0	0	0	113.7	G367 L389 T396 L500	G367-F369 PolarHBondContact O-N 2.83Å; F369-L389 WeakPolarHBondContact O-CD1 3.38Å; F369-T396 HydrophobicContact CD1-CG2 3.98Å; F369-T396 HydrophobicContact CE1-CG2 4.36Å; F369-L500 HydrophobicContact CZ-CD2 4.15Å
370	G	72.9	Confident	84.5	Confident	8 Å²	8	64.2 Å²	64.2	8%	0.082	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.8	-161.2	-172.8	0	0	0	0	0	114.6	G367 E388	G367-G370 PolarHBondContact N-O 3.17Å; G367-G370 PolarHBondContact O-N 3.03Å; G367-G370 VanDerWaalsContact O-N 3.08Å; G367-G370 VanDerWaalsContact O-O 3.07Å; G370-E388 CarbonylContact C-O 3.59Å; G370-E388 VanDerWaalsContact CA-O 3.23Å; G370-E388 WeakPolarHBondContact CA-O 3.27Å
371	Q	84.1	Confident	84.5	Confident	34 Å²	34	62.5 Å²	62.5	16%	0.159	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.8	177.9	60.3	-173.5	7.6	0	0	112.4	V363 G365 K366 I373 E388 I390	V363-Q371 HydrophobicContact CG1-CB 4.25Å; G365-Q371 WeakPolarHBondContact O-CA 3.34Å; K366-Q371 HydrophobicContact CG-CB 4.07Å; Q371-I373 HydrophobicContact CG-CD1 4.1Å; Q371-I373 HydrophobicContact CG-CG1 3.97Å; Q371-E388 HydrophobicContact CG-CB 4.24Å; Q371-E388 PolarHBondContact N-O 2.86Å; Q371-E388 PolarHBondContact NE2-OE2 2.84Å; Q371-E388 PolarHBondContact O-N 3.12Å; Q371-I390 HydrophobicContact CB-CD1 3.88Å; Q371-I390 HydrophobicContact CG-CD1 3.84Å; Q371-I390 HydrophobicContact CG-CG1 4.08Å
372	A	88.8	Confident	84.6	Confident	28 Å²	28	63.4 Å²	63.4	23%	0.231	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120	169.3	0	0	0	0	0	108.8	L364 G365 V385 M386	L364-A372 HydrophobicContact CB-CB 4.37Å; L364-A372 PolarHBondContact N-O 3.33Å; G365-A372 PolarHBondContact N-O 2.85Å; G365-A372 PolarHBondContact O-N 3.17Å; A372-V385 HydrophobicContact CB-CG1 3.93Å; A372-M386 WeakPolarHBondContact CA-O 3.31Å
373	I	92.1	Very high	84.8	Confident	10 Å²	10	61.5 Å²	61.5	5%	0.051	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.1	-178.5	-44.3	-178.9	0	0	0	108.5	Q371 V385 M386	Q371-I373 HydrophobicContact CG-CD1 4.1Å; Q371-I373 HydrophobicContact CG-CG1 3.97Å; I373-V385 WeakPolarHBondContact O-CA 3.4Å; I373-M386 HydrophobicContact CD1-CE 3.92Å; I373-M386 PolarHBondContact N-O 2.88Å; I373-M386 PolarHBondContact O-N 3.14Å
374	K	94.6	Very high	85	Confident	44 Å²	44	58.2 Å²	58.2	19%	0.191	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131	169.8	-171.2	179.9	-176.8	-177.5	0	109.2	G361 E362 L364 V383 Y434	G361-K374 WeakPolarHBondContact CA-O 3.5Å; G361-K374 PolarHBondContact N-O 3.2Å; E362-K374 VanDerWaalsContact CD-NZ 3.28Å; E362-K374 HydrophobicContact CG-CB 4.34Å; E362-K374 HydrophobicContact CG-CD 4.05Å; E362-K374 WeakPolarHBondContact O-CB 3.46Å; E362-K374 PolarHBondContact O-N 3.05Å; E362-K374 WeakPolarHBondContact OE1-CD 3.28Å; E362-K374 WeakPolarHBondContact OE1-CE 3.49Å; E362-K374 IonicContact OE1-NZ 3.92Å; E362-K374 PolarHBondContact OE1-NZ 3.01Å; E362-K374 WeakPolarHBondContact OE2-CD 3.5Å; E362-K374 IonicContact OE2-NZ 3.8Å; E362-K374 PolarHBondContact OE2-NZ 2.78Å; L364-K374 HydrophobicContact CD1-CB 4.08Å; L364-K374 HydrophobicContact CD2-CB 4.22Å; L364-K374 HydrophobicContact CG-CB 4.11Å; K374-V383 HydrophobicContact CG-CG1 3.97Å; K374-Y434 HydrophobicContact CD-CE2 4.21Å; K374-Y434 HydrophobicContact CG-CD2 4.37Å; K374-Y434 HydrophobicContact CG-CE2 4.26Å
375	V	95.6	Very high	85.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.1	-178.8	-66.4	0	0	0	0	111.2	L358 I359 M384 M386	L358-V375 HydrophobicContact CB-CB 4.31Å; L358-V375 HydrophobicContact CD1-CB 4.25Å; L358-V375 HydrophobicContact CD1-CG2 4.06Å; I359-V375 CarbonylContact O-C 3.57Å; I359-V375 VanDerWaalsContact O-CA 3.23Å; I359-V375 WeakPolarHBondContact O-CA 3.34Å; V375-M384 HydrophobicContact CG2-CB 4Å; V375-M384 PolarHBondContact N-O 3.19Å; V375-M384 PolarHBondContact O-N 3Å; V375-M386 HydrophobicContact CG1-CB 3.82Å; V375-M386 HydrophobicContact CG1-CE 4.35Å; V375-M386 HydrophobicContact CG2-CB 4.09Å
376	T	96.4	Very high	86.2	Confident	44 Å²	44	54.2 Å²	54.2	27%	0.27	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.7	177.8	-52.8	0	0	0	0	110.1	L358 I359 K378 E382 V383	L358-T376 WeakPolarHBondContact CA-O 3.46Å; I359-T376 PolarHBondContact N-O 3.42Å; I359-T376 PolarHBondContact O-N 3.12Å; T376-K378 PolarHBondContact O-N 2.74Å; T376-E382 CarbonylContact C-O 3.57Å; T376-E382 WeakPolarHBondContact CA-O 3.5Å; T376-V383 HydrophobicContact CG2-CG2 4.36Å
377	H	95.4	Very high	86.8	Confident	17 Å²	17	48.1 Å²	48.1	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.6	176	-173.5	-120.6	0	0	0	111	F353 D357 L358 E379 T380 G381 E382 M384	F353-H377 AromaticContact CD1-CD2 3.95Å; F353-H377 AromaticContact CE1-CD2 3.95Å; D357-H377 WeakPolarHBondContact O-CA 3.32Å; D357-H377 PolarHBondContact O-CD2 3.38Å; L358-H377 HydrophobicContact CD2-CB 4.18Å; H377-E379 IonicContact CE1-OE2 3.47Å; H377-E379 PolarHBondContact O-N 2.81Å; H377-T380 PolarHBondContact ND1-N 2.89Å; H377-T380 PolarHBondContact ND1-OG1 3.02Å; H377-G381 WeakPolarHBondContact O-CA 3.45Å; H377-G381 PolarHBondContact O-N 2.7Å; H377-E382 HydrophobicContact CB-CB 4.31Å; H377-E382 PolarHBondContact N-O 2.88Å; H377-M384 HydrophobicContact CB-CE 3.83Å
378	K	93.5	Very high	87.9	Confident	121 Å²	121	47.4 Å²	47.4	53%	0.526	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-38.2	-171.2	-73	-179.4	-175.6	170.1	0	114.1	S356 D357 I359 T376	S356-K378 VanDerWaalsContact O-CD 3.3Å; S356-K378 WeakPolarHBondContact O-CD 3.48Å; S356-K378 VanDerWaalsContact O-CE 3.24Å; S356-K378 WeakPolarHBondContact O-CE 3.23Å; S356-K378 PolarHBondContact O-NZ 2.94Å; D357-K378 PolarHBondContact O-N 2.68Å; I359-K378 HydrophobicContact CD1-CG 3.99Å; I359-K378 HydrophobicContact CG1-CD 4.27Å; I359-K378 HydrophobicContact CG1-CG 3.66Å; T376-K378 PolarHBondContact O-N 2.74Å
379	E	92.2	Very high	88.8	Confident	172 Å²	172	42.7 Å²	42.7	80%	0.804	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-33.9	-174.4	-57.3	-175.8	156.3	0	0	112.8	H377	H377-E379 IonicContact CE1-OE2 3.47Å; H377-E379 PolarHBondContact O-N 2.81Å
380	T	93.3	Very high	89.3	Confident	84 Å²	84	43.7 Å²	43.7	52%	0.515	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-12.3	-174.4	60.2	0	0	0	0	114	H377 E382	H377-T380 PolarHBondContact ND1-N 2.89Å; H377-T380 PolarHBondContact ND1-OG1 3.02Å; T380-E382 PolarHBondContact O-N 3.41Å; T380-E382 VanDerWaalsContact OG1-CB 3.3Å; T380-E382 WeakPolarHBondContact OG1-CB 3.48Å; T380-E382 PolarHBondContact OG1-N 2.77Å
381	G	93.3	Very high	88.7	Confident	49 Å²	49	49.1 Å²	49.1	51%	0.505	26%	0.256	S	S	.	.			trans	69	7.2	-171.7	0	0	0	0	0	114.4	H377 V383	H377-G381 WeakPolarHBondContact O-CA 3.45Å; H377-G381 PolarHBondContact O-N 2.7Å; G381-V383 PolarHBondContact O-N 2.98Å
382	E	94.6	Very high	87.7	Confident	64 Å²	64	52.5 Å²	52.5	30%	0.299	27%	0.27	S	S	.	.			trans	-70	124.6	-174.6	-173.1	-177.8	176.2	0	0	111.5	R351 T376 H377 T380 M384	R351-E382 IonicContact CZ-OE1 2.8Å; R351-E382 IonicContact CZ-OE2 2.71Å; R351-E382 VanDerWaalsContact CZ-OE2 3.26Å; R351-E382 IonicContact NH1-OE1 3.6Å; R351-E382 IonicContact NH1-OE2 3.43Å; R351-E382 PolarHBondContact NH1-OE2 3.1Å; R351-E382 IonicContact NH2-OE1 3.21Å; R351-E382 PolarHBondContact NH2-OE1 2.86Å; R351-E382 IonicContact NH2-OE2 3.61Å; R351-E382 PolarHBondContact NH2-OE2 2.83Å; T376-E382 CarbonylContact C-O 3.57Å; T376-E382 WeakPolarHBondContact CA-O 3.5Å; H377-E382 HydrophobicContact CB-CB 4.31Å; H377-E382 PolarHBondContact N-O 2.88Å; T380-E382 PolarHBondContact O-N 3.41Å; T380-E382 VanDerWaalsContact OG1-CB 3.3Å; T380-E382 WeakPolarHBondContact OG1-CB 3.48Å; T380-E382 PolarHBondContact OG1-N 2.77Å; E382-M384 HydrophobicContact CG-CG 3.99Å; E382-M384 HydrophobicContact CG-SD 4.26Å
383	V	95.4	Very high	86.8	Confident	60 Å²	60	53.7 Å²	53.7	36%	0.364	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129	177.7	-174	0	0	0	0	109.9	K374 T376 G381 Y434	K374-V383 HydrophobicContact CG-CG1 3.97Å; T376-V383 HydrophobicContact CG2-CG2 4.36Å; G381-V383 PolarHBondContact O-N 2.98Å; V383-Y434 HydrophobicContact CB-CD1 4.48Å; V383-Y434 HydrophobicContact CG1-CD1 3.75Å; V383-Y434 HydrophobicContact CG1-CE1 4.34Å; V383-Y434 HydrophobicContact CG1-CG 3.87Å
384	M	95.7	Very high	85.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	176.7	-172.7	-58.3	176.6	-67.4	0	0	110	F353 L358 V375 H377 E382 I419 I431 A432	F353-M384 HydrophobicContact CE1-CE 3.93Å; F353-M384 HydrophobicContact CE1-SD 4.41Å; F353-M384 HydrophobicContact CZ-CE 3.92Å; F353-M384 HydrophobicContact CZ-SD 3.86Å; L358-M384 HydrophobicContact CD2-CE 3.66Å; V375-M384 HydrophobicContact CG2-CB 4Å; V375-M384 PolarHBondContact N-O 3.19Å; V375-M384 PolarHBondContact O-N 3Å; H377-M384 HydrophobicContact CB-CE 3.83Å; E382-M384 HydrophobicContact CG-CG 3.99Å; E382-M384 HydrophobicContact CG-SD 4.26Å; M384-I419 HydrophobicContact CB-CD1 4.39Å; M384-I419 HydrophobicContact CG-CD1 3.72Å; M384-I419 HydrophobicContact SD-CD1 3.79Å; M384-I419 HydrophobicContact SD-CG2 3.91Å; M384-I431 HydrophobicContact CB-CG2 3.67Å; M384-I431 HydrophobicContact CE-CG2 4.05Å; M384-I431 HydrophobicContact CG-CG2 4.17Å; M384-I431 HydrophobicContact SD-CG2 3.6Å; M384-I431 VanDerWaalsContact SD-CG2 3.6Å; M384-A432 WeakPolarHBondContact CB-O 3.49Å
385	V	94.3	Very high	84.3	Confident	23 Å²	23	63.5 Å²	63.5	14%	0.139	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.9	173.5	-179.4	0	0	0	0	109.9	L364 A372 I373 I431 A432 Y434	L364-V385 HydrophobicContact CD1-CG1 4.21Å; L364-V385 HydrophobicContact CD1-CG2 3.61Å; A372-V385 HydrophobicContact CB-CG1 3.93Å; I373-V385 WeakPolarHBondContact O-CA 3.4Å; V385-I431 CarbonylContact O-C 3.53Å; V385-I431 VanDerWaalsContact O-CA 3.3Å; V385-I431 WeakPolarHBondContact O-CA 3.2Å; V385-A432 PolarHBondContact N-O 2.9Å; V385-A432 PolarHBondContact O-N 3.21Å; V385-Y434 HydrophobicContact CG2-CD2 3.75Å; V385-Y434 HydrophobicContact CG2-CG 4.44Å
386	M	91.7	Very high	82.9	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.7	169.2	-177.3	173.3	67.2	0	0	109.8	A372 I373 V375 L422 N429 F430 I431	A372-M386 WeakPolarHBondContact CA-O 3.31Å; I373-M386 HydrophobicContact CD1-CE 3.92Å; I373-M386 PolarHBondContact N-O 2.88Å; I373-M386 PolarHBondContact O-N 3.14Å; V375-M386 HydrophobicContact CG1-CB 3.82Å; V375-M386 HydrophobicContact CG1-CE 4.35Å; V375-M386 HydrophobicContact CG2-CB 4.09Å; M386-L422 HydrophobicContact SD-CD1 4.13Å; M386-L422 HydrophobicContact SD-CD2 4.29Å; M386-N429 HydrophobicContact CG-CB 3.85Å; M386-N429 HydrophobicContact SD-CB 3.93Å; M386-N429 PolarHBondContact SD-ND2 3.05Å; M386-N429 VanDerWaalsContact SD-ND2 3.4Å; M386-F430 WeakPolarHBondContact CA-O 3.48Å; M386-I431 HydrophobicContact CB-CD1 3.63Å; M386-I431 HydrophobicContact CG-CD1 3.68Å; M386-I431 HydrophobicContact SD-CD1 4.24Å
387	K	88	Confident	81.5	Confident	31 Å²	31	65.1 Å²	65.1	14%	0.135	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114.2	166.3	-154.2	-179.6	-168.9	-173.2	0	107.6	E403 N429 F430 D497	K387-E403 IonicContact NZ-OE1 3.39Å; K387-E403 PolarHBondContact NZ-OE1 3.09Å; K387-E403 IonicContact NZ-OE2 2.66Å; K387-E403 PolarHBondContact NZ-OE2 2.86Å; K387-N429 WeakPolarHBondContact O-CA 3.22Å; K387-F430 HydrophobicContact CB-CD1 4.17Å; K387-F430 HydrophobicContact CB-CD2 4.39Å; K387-F430 HydrophobicContact CB-CE1 3.81Å; K387-F430 HydrophobicContact CB-CE2 4.02Å; K387-F430 HydrophobicContact CB-CG 4.47Å; K387-F430 HydrophobicContact CB-CZ 3.74Å; K387-F430 HydrophobicContact CD-CE1 3.54Å; K387-F430 HydrophobicContact CD-CE2 4.38Å; K387-F430 HydrophobicContact CD-CZ 3.39Å; K387-F430 HydrophobicContact CG-CE1 4.23Å; K387-F430 HydrophobicContact CG-CZ 4.19Å; K387-F430 PolarHBondContact N-O 3.38Å; K387-F430 PolarHBondContact O-N 2.99Å; K387-D497 VanDerWaalsContact NZ-CG 3.32Å; K387-D497 IonicContact NZ-OD1 3.24Å; K387-D497 PolarHBondContact NZ-OD1 3.41Å; K387-D497 IonicContact NZ-OD2 3.53Å; K387-D497 PolarHBondContact NZ-OD2 2.81Å
388	E	84.3	Confident	80.4	Confident	36 Å²	36	71.8 Å²	71.8	17%	0.168	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.9	-180	176.9	172.4	-121.3	0	0	110.3	G370 Q371 I390	G370-E388 CarbonylContact C-O 3.59Å; G370-E388 VanDerWaalsContact CA-O 3.23Å; G370-E388 WeakPolarHBondContact CA-O 3.27Å; Q371-E388 HydrophobicContact CG-CB 4.24Å; Q371-E388 PolarHBondContact N-O 2.86Å; Q371-E388 PolarHBondContact NE2-OE2 2.84Å; Q371-E388 PolarHBondContact O-N 3.12Å; E388-I390 PolarHBondContact O-N 3.26Å
389	L	73.2	Confident	79.2	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.042	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	110.5	178	-156.1	80.9	0	0	0	110	F369 R391 F400 R427	F369-L389 WeakPolarHBondContact O-CD1 3.38Å; L389-R391 VanDerWaalsContact CD2-O 3.27Å; L389-R391 WeakPolarHBondContact CD2-O 3.29Å; L389-R391 VanDerWaalsContact CG-O 3.32Å; L389-R391 WeakPolarHBondContact CG-O 3.49Å; L389-F400 HydrophobicContact CD1-CB 3.86Å; L389-F400 HydrophobicContact CD1-CD2 3.66Å; L389-F400 HydrophobicContact CD1-CE2 4.42Å; L389-F400 HydrophobicContact CD1-CG 3.91Å; L389-F400 HydrophobicContact CD2-CB 4.38Å; L389-R427 PolarHBondContact O-NH1 2.91Å
390	I	66.3	Low	78.2	Confident	84 Å²	84	59.2 Å²	59.2	43%	0.431	30%	0.297	S	S	.	.			trans	-77	-47.7	-179.8	-64.6	171.5	0	0	0	109.9	Q371 E388 R427	Q371-I390 HydrophobicContact CB-CD1 3.88Å; Q371-I390 HydrophobicContact CG-CD1 3.84Å; Q371-I390 HydrophobicContact CG-CG1 4.08Å; E388-I390 PolarHBondContact O-N 3.26Å; I390-R427 PolarHBondContact O-NH1 3.44Å
391	R	61.2	Low	77.3	Confident	122 Å²	122	59.2 Å²	59.2	46%	0.46	29%	0.294	S	S	.	.			trans	-78.6	158.6	176.7	-64.5	178.8	63	150.5	0.3	110.6	C368 L389 D393	C368-R391 WeakPolarHBondContact O-CD 3.21Å; L389-R391 VanDerWaalsContact CD2-O 3.27Å; L389-R391 WeakPolarHBondContact CD2-O 3.29Å; L389-R391 VanDerWaalsContact CG-O 3.32Å; L389-R391 WeakPolarHBondContact CG-O 3.49Å; R391-D393 IonicContact CZ-OD1 2.69Å; R391-D393 IonicContact NE-OD1 2.83Å; R391-D393 PolarHBondContact NE-OD1 3.4Å; R391-D393 IonicContact NH2-OD1 3.43Å; R391-D393 PolarHBondContact NH2-OD1 2.84Å
392	F	61.6	Low	76.3	Confident	104 Å²	104	62.9 Å²	62.9	46%	0.456	30%	0.296	S	S	.	.			trans	-145.7	47.9	-176.1	-148.2	-90.3	0	0	0	110.8	R427	F392-R427 HydrophobicContact CD2-CG 4.21Å; F392-R427 HydrophobicContact CE2-CG 3.93Å
393	D	70.1	Confident	75.4	Confident	53 Å²	53	60.1 Å²	60.1	28%	0.283	28%	0.283	S	S	.	.			trans	-90.9	155	167.3	55.9	-105	0	0	0	109.9	R391 E395 T396 Q397	R391-D393 IonicContact CZ-OD1 2.69Å; R391-D393 IonicContact NE-OD1 2.83Å; R391-D393 PolarHBondContact NE-OD1 3.4Å; R391-D393 IonicContact NH2-OD1 3.43Å; R391-D393 PolarHBondContact NH2-OD1 2.84Å; D393-E395 PolarHBondContact O-N 3.17Å; D393-E395 VanDerWaalsContact O-N 3.17Å; D393-E395 PolarHBondContact OD2-N 3.02Å; D393-T396 PolarHBondContact N-OG1 2.89Å; D393-T396 PolarHBondContact O-N 3.46Å; D393-T396 PolarHBondContact O-OG1 3.5Å; D393-T396 VanDerWaalsContact O-OG1 3.12Å; D393-T396 PolarHBondContact OD1-OG1 3.48Å; D393-T396 VanDerWaalsContact OD2-CB 3.28Å; D393-T396 WeakPolarHBondContact OD2-CB 3.3Å; D393-T396 VanDerWaalsContact OD2-CG2 3.23Å; D393-T396 WeakPolarHBondContact OD2-CG2 3.18Å; D393-T396 PolarHBondContact OD2-N 2.64Å; D393-T396 PolarHBondContact OD2-OG1 3.25Å; D393-Q397 WeakPolarHBondContact O-CB 3.49Å; D393-Q397 PolarHBondContact O-N 3.2Å
394	D	67.8	Low	74.7	Confident	113 Å²	113	57.7 Å²	57.7	60%	0.604	27%	0.268	S	S	*	.	H	α-helix	trans	-61.8	-26.4	-173.7	-89.1	-16.4	0	0	0	112.9	R398	D394-R398 WeakPolarHBondContact O-CB 3.37Å; D394-R398 VanDerWaalsContact O-CD 3.23Å; D394-R398 WeakPolarHBondContact O-CD 3.4Å; D394-R398 WeakPolarHBondContact O-CG 3.47Å; D394-R398 PolarHBondContact O-N 2.96Å; D394-R398 VanDerWaalsContact O-N 3.11Å
395	E	66.8	Low	73.8	Confident	148 Å²	148	64.6 Å²	64.6	69%	0.692	30%	0.298	S	S	*	.	H	α-helix	trans	-77.8	-48.9	179	-174.1	167	-152.8	0	0	111.9	D393 Q397 R398 T399	D393-E395 PolarHBondContact O-N 3.17Å; D393-E395 VanDerWaalsContact O-N 3.17Å; D393-E395 PolarHBondContact OD2-N 3.02Å; E395-Q397 VanDerWaalsContact C-N 3.27Å; E395-Q397 PolarHBondContact O-N 3.08Å; E395-R398 CarbonylContact O-C 3.55Å; E395-R398 WeakPolarHBondContact O-CA 3.34Å; E395-R398 WeakPolarHBondContact O-CB 3.43Å; E395-R398 PolarHBondContact O-N 3.01Å; E395-T399 PolarHBondContact O-N 3.05Å; E395-T399 PolarHBondContact O-OG1 3.02Å
396	T	64.9	Low	73	Confident	13 Å²	13	64 Å²	64	8%	0.08	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-34.6	175.3	53.5	0	0	0	0	112	F369 D393 T399 F400	F369-T396 HydrophobicContact CD1-CG2 3.98Å; F369-T396 HydrophobicContact CE1-CG2 4.36Å; D393-T396 PolarHBondContact N-OG1 2.89Å; D393-T396 PolarHBondContact O-N 3.46Å; D393-T396 PolarHBondContact O-OG1 3.5Å; D393-T396 VanDerWaalsContact O-OG1 3.12Å; D393-T396 PolarHBondContact OD1-OG1 3.48Å; D393-T396 VanDerWaalsContact OD2-CB 3.28Å; D393-T396 WeakPolarHBondContact OD2-CB 3.3Å; D393-T396 VanDerWaalsContact OD2-CG2 3.23Å; D393-T396 WeakPolarHBondContact OD2-CG2 3.18Å; D393-T396 PolarHBondContact OD2-N 2.64Å; D393-T396 PolarHBondContact OD2-OG1 3.25Å; T396-T399 WeakPolarHBondContact CA-OG1 3.41Å; T396-T399 PolarHBondContact O-N 3.28Å; T396-T399 PolarHBondContact O-OG1 2.91Å; T396-F400 VanDerWaalsContact O-CB 3.23Å; T396-F400 WeakPolarHBondContact O-CB 3.49Å; T396-F400 PolarHBondContact O-N 2.88Å
397	Q	68.4	Low	72.6	Confident	65 Å²	65	64.1 Å²	64.1	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-65.4	-39.1	170.6	-170.8	177.8	-55.1	0	0	111.8	D393 E395 L401	D393-Q397 WeakPolarHBondContact O-CB 3.49Å; D393-Q397 PolarHBondContact O-N 3.2Å; E395-Q397 VanDerWaalsContact C-N 3.27Å; E395-Q397 PolarHBondContact O-N 3.08Å; Q397-L401 HydrophobicContact CG-CD1 4.05Å; Q397-L401 WeakPolarHBondContact O-CB 3.47Å; Q397-L401 VanDerWaalsContact O-CG 3.23Å; Q397-L401 WeakPolarHBondContact O-CG 3.3Å; Q397-L401 PolarHBondContact O-N 2.78Å
398	R	71.6	Confident	72.3	Confident	157 Å²	157	69.4 Å²	69.4	59%	0.592	31%	0.314	S	S	*	.	H	α-helix	trans	-68.4	-38.9	175.4	-75.3	165.2	-166.8	-161	6.3	112.6	D394 E395 K402	D394-R398 WeakPolarHBondContact O-CB 3.37Å; D394-R398 VanDerWaalsContact O-CD 3.23Å; D394-R398 WeakPolarHBondContact O-CD 3.4Å; D394-R398 WeakPolarHBondContact O-CG 3.47Å; D394-R398 PolarHBondContact O-N 2.96Å; D394-R398 VanDerWaalsContact O-N 3.11Å; E395-R398 CarbonylContact O-C 3.55Å; E395-R398 WeakPolarHBondContact O-CA 3.34Å; E395-R398 WeakPolarHBondContact O-CB 3.43Å; E395-R398 PolarHBondContact O-N 3.01Å; R398-K402 WeakPolarHBondContact O-CD 3Å; R398-K402 WeakPolarHBondContact O-CG 3.21Å; R398-K402 PolarHBondContact O-N 3.33Å
399	T	68.3	Low	72.2	Confident	22 Å²	22	71.6 Å²	71.6	14%	0.135	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-43.7	175.7	56.5	0	0	0	0	110.9	E395 T396 L401 K402 E403	E395-T399 PolarHBondContact O-N 3.05Å; E395-T399 PolarHBondContact O-OG1 3.02Å; T396-T399 WeakPolarHBondContact CA-OG1 3.41Å; T396-T399 PolarHBondContact O-N 3.28Å; T396-T399 PolarHBondContact O-OG1 2.91Å; T399-L401 PolarHBondContact O-N 2.87Å; T399-K402 CarbonylContact O-C 3.53Å; T399-K402 WeakPolarHBondContact O-CB 3.35Å; T399-K402 PolarHBondContact O-N 3.03Å; T399-K402 VanDerWaalsContact O-N 3.12Å; T399-E403 PolarHBondContact O-N 2.91Å
400	F	71.6	Confident	72.8	Confident	7 Å²	7	72 Å²	72	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-42.4	175.7	-172.9	-94.4	0	0	0	113.1	L389 T396 K402 E403 V404 L428 F430	L389-F400 HydrophobicContact CD1-CB 3.86Å; L389-F400 HydrophobicContact CD1-CD2 3.66Å; L389-F400 HydrophobicContact CD1-CE2 4.42Å; L389-F400 HydrophobicContact CD1-CG 3.91Å; L389-F400 HydrophobicContact CD2-CB 4.38Å; T396-F400 VanDerWaalsContact O-CB 3.23Å; T396-F400 WeakPolarHBondContact O-CB 3.49Å; T396-F400 PolarHBondContact O-N 2.88Å; F400-K402 VanDerWaalsContact C-N 3.31Å; F400-K402 PolarHBondContact O-N 2.7Å; F400-E403 WeakPolarHBondContact O-CB 3.31Å; F400-E403 PolarHBondContact O-N 3.39Å; F400-V404 HydrophobicContact CD1-CG2 4.21Å; F400-V404 HydrophobicContact CE1-CG2 3.87Å; F400-V404 HydrophobicContact CZ-CG2 4.25Å; F400-V404 WeakPolarHBondContact O-CG2 3.43Å; F400-V404 PolarHBondContact O-N 2.99Å; F400-L428 HydrophobicContact CE1-CB 4.13Å; F400-L428 HydrophobicContact CE1-CD2 4.18Å; F400-L428 HydrophobicContact CE1-CG 4.12Å; F400-L428 WeakPolarHBondContact CE1-O 3.49Å; F400-L428 VanDerWaalsContact CZ-O 3.24Å; F400-L428 WeakPolarHBondContact CZ-O 3.25Å; F400-F430 HydrophobicContact CD2-CD1 4.41Å; F400-F430 HydrophobicContact CD2-CE1 4.35Å; F400-F430 HydrophobicContact CE1-CD1 4.32Å; F400-F430 AromaticContact CE2-CD1 3.53Å; F400-F430 HydrophobicContact CE2-CD1 3.53Å; F400-F430 AromaticContact CE2-CE1 3.72Å; F400-F430 HydrophobicContact CE2-CE1 3.72Å; F400-F430 AromaticContact CZ-CD1 3.48Å; F400-F430 HydrophobicContact CZ-CD1 3.48Å; F400-F430 VanDerWaalsContact CZ-CD1 3.48Å; F400-F430 HydrophobicContact CZ-CE1 4.17Å; F400-F430 HydrophobicContact CZ-CG 4.42Å
401	L	75.1	Confident	73.9	Confident	84 Å²	84	71.8 Å²	71.8	44%	0.44	33%	0.334	S	S	.	.	H	α-helix	trans	-66.8	-31.1	174.7	-72.8	170.8	0	0	0	112.6	Q397 T399 K405 L428	Q397-L401 HydrophobicContact CG-CD1 4.05Å; Q397-L401 WeakPolarHBondContact O-CB 3.47Å; Q397-L401 VanDerWaalsContact O-CG 3.23Å; Q397-L401 WeakPolarHBondContact O-CG 3.3Å; Q397-L401 PolarHBondContact O-N 2.78Å; T399-L401 PolarHBondContact O-N 2.87Å; L401-K405 VanDerWaalsContact O-CB 3.29Å; L401-K405 WeakPolarHBondContact O-CB 3.3Å; L401-K405 PolarHBondContact O-N 3.14Å; L401-L428 HydrophobicContact CD2-CD2 3.69Å
402	K	71.3	Confident	75.5	Confident	126 Å²	126	68.1 Å²	68.1	55%	0.548	32%	0.322	S	S	.	.	H	α-helix	trans	-67.8	-45.8	170	-71.7	162.9	-172.2	168	0	111	R398 T399 F400 K405 V406	R398-K402 WeakPolarHBondContact O-CD 3Å; R398-K402 WeakPolarHBondContact O-CG 3.21Å; R398-K402 PolarHBondContact O-N 3.33Å; T399-K402 CarbonylContact O-C 3.53Å; T399-K402 WeakPolarHBondContact O-CB 3.35Å; T399-K402 PolarHBondContact O-N 3.03Å; T399-K402 VanDerWaalsContact O-N 3.12Å; F400-K402 VanDerWaalsContact C-N 3.31Å; F400-K402 PolarHBondContact O-N 2.7Å; K402-K405 WeakPolarHBondContact O-CB 3.47Å; K402-K405 PolarHBondContact O-N 3.16Å; K402-K405 VanDerWaalsContact O-N 3.14Å; K402-V406 WeakPolarHBondContact O-CG2 3.2Å; K402-V406 PolarHBondContact O-N 3.24Å
403	E	77	Confident	77.1	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.028	33%	0.328	C	S	.	.	H	α-helix	trans	-55.8	-52.6	176.7	-175.2	176.5	-172.6	0	0	110.4	K387 T399 F400 K405 V406 M407 F430 F498	K387-E403 IonicContact NZ-OE1 3.39Å; K387-E403 PolarHBondContact NZ-OE1 3.09Å; K387-E403 IonicContact NZ-OE2 2.66Å; K387-E403 PolarHBondContact NZ-OE2 2.86Å; T399-E403 PolarHBondContact O-N 2.91Å; F400-E403 WeakPolarHBondContact O-CB 3.31Å; F400-E403 PolarHBondContact O-N 3.39Å; E403-K405 VanDerWaalsContact C-N 3.31Å; E403-K405 PolarHBondContact O-N 3.26Å; E403-V406 PolarHBondContact O-N 3.07Å; E403-V406 VanDerWaalsContact O-N 3.17Å; E403-M407 HydrophobicContact CG-CG 4.33Å; E403-M407 HydrophobicContact CG-SD 4Å; E403-M407 WeakPolarHBondContact O-CB 3.27Å; E403-M407 WeakPolarHBondContact O-CG 3.43Å; E403-M407 PolarHBondContact O-N 3.25Å; E403-F430 HydrophobicContact CG-CE1 4.08Å; E403-F430 HydrophobicContact CG-CZ 4.31Å; E403-F430 WeakPolarHBondContact OE1-CZ 3.4Å; E403-F498 HydrophobicContact CG-CB 4.12Å
404	V	79.7	Confident	78.4	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.055	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-38.8	176.2	174.1	0	0	0	0	112.2	F400 R408 F418 V421 F430	F400-V404 HydrophobicContact CD1-CG2 4.21Å; F400-V404 HydrophobicContact CE1-CG2 3.87Å; F400-V404 HydrophobicContact CZ-CG2 4.25Å; F400-V404 WeakPolarHBondContact O-CG2 3.43Å; F400-V404 PolarHBondContact O-N 2.99Å; V404-R408 HydrophobicContact CG1-CG 4.47Å; V404-R408 WeakPolarHBondContact O-CB 3.39Å; V404-R408 WeakPolarHBondContact O-CD 3.32Å; V404-R408 WeakPolarHBondContact O-CG 3.32Å; V404-R408 PolarHBondContact O-N 3.02Å; V404-F418 HydrophobicContact CG1-CE2 4.2Å; V404-F418 HydrophobicContact CG1-CZ 4.16Å; V404-V421 HydrophobicContact CG1-CG1 4.26Å; V404-F430 HydrophobicContact CG2-CB 3.94Å; V404-F430 HydrophobicContact CG2-CD1 3.52Å; V404-F430 HydrophobicContact CG2-CE1 4.34Å; V404-F430 HydrophobicContact CG2-CG 4.06Å
405	K	77.7	Confident	79.7	Confident	145 Å²	145	60.3 Å²	60.3	63%	0.63	29%	0.29	S	S	*	.	H	α-helix	trans	-66	-41	177	-176.9	-179.2	178	-176.4	0	111.8	L401 K402 E403	L401-K405 VanDerWaalsContact O-CB 3.29Å; L401-K405 WeakPolarHBondContact O-CB 3.3Å; L401-K405 PolarHBondContact O-N 3.14Å; K402-K405 WeakPolarHBondContact O-CB 3.47Å; K402-K405 PolarHBondContact O-N 3.16Å; K402-K405 VanDerWaalsContact O-N 3.14Å; E403-K405 VanDerWaalsContact C-N 3.31Å; E403-K405 PolarHBondContact O-N 3.26Å
406	V	77.6	Confident	80.9	Confident	11 Å²	11	54.3 Å²	54.3	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-57.7	176.9	166.7	0	0	0	0	110	K402 E403 R408 C409 L410 I475 F498	K402-V406 WeakPolarHBondContact O-CG2 3.2Å; K402-V406 PolarHBondContact O-N 3.24Å; E403-V406 PolarHBondContact O-N 3.07Å; E403-V406 VanDerWaalsContact O-N 3.17Å; V406-R408 PolarHBondContact O-N 3.41Å; V406-R408 VanDerWaalsContact O-N 3.14Å; V406-C409 WeakPolarHBondContact O-CB 3.15Å; V406-C409 PolarHBondContact O-N 3.23Å; V406-L410 HydrophobicContact CG1-CD1 3.89Å; V406-L410 HydrophobicContact CG1-CG 4.36Å; V406-L410 WeakPolarHBondContact O-CG 3.37Å; V406-I475 HydrophobicContact CG1-CD1 3.81Å; V406-F498 HydrophobicContact CG1-CB 4.46Å
407	M	81.8	Confident	82.2	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-34.4	-175.6	-70.4	-172.1	77.3	0	0	113.7	E403 C409 L410 L416 F418 F430 A432 F498	E403-M407 HydrophobicContact CG-CG 4.33Å; E403-M407 HydrophobicContact CG-SD 4Å; E403-M407 WeakPolarHBondContact O-CB 3.27Å; E403-M407 WeakPolarHBondContact O-CG 3.43Å; E403-M407 PolarHBondContact O-N 3.25Å; M407-C409 PolarHBondContact O-N 3.11Å; M407-C409 VanDerWaalsContact O-N 3.16Å; M407-L410 PolarHBondContact O-N 3.13Å; M407-L416 HydrophobicContact CE-CD2 4.19Å; M407-L416 HydrophobicContact CE-CG 4.43Å; M407-F418 HydrophobicContact CB-CB 4.14Å; M407-F418 HydrophobicContact CB-CD2 3.61Å; M407-F418 HydrophobicContact CB-CE2 4.4Å; M407-F418 HydrophobicContact CB-CG 4.19Å; M407-F418 HydrophobicContact CE-CD2 4.42Å; M407-F418 WeakPolarHBondContact O-CB 3.22Å; M407-F418 HydrophobicContact SD-CD2 4.43Å; M407-F430 HydrophobicContact CE-CE2 3.9Å; M407-F430 HydrophobicContact CE-CZ 4.39Å; M407-F430 HydrophobicContact SD-CD2 4.3Å; M407-F430 HydrophobicContact SD-CE1 4.28Å; M407-F430 HydrophobicContact SD-CE2 3.54Å; M407-F430 VanDerWaalsContact SD-CE2 3.54Å; M407-F430 HydrophobicContact SD-CZ 3.51Å; M407-F430 VanDerWaalsContact SD-CZ 3.51Å; M407-A432 HydrophobicContact CE-CB 4.45Å; M407-F498 HydrophobicContact CE-CD2 4.33Å; M407-F498 HydrophobicContact CE-CE2 4.43Å; M407-F498 HydrophobicContact CG-CB 4.5Å; M407-F498 HydrophobicContact CG-CD2 3.57Å; M407-F498 HydrophobicContact CG-CE2 4.29Å; M407-F498 HydrophobicContact CG-CG 4.37Å; M407-F498 HydrophobicContact SD-CD2 4.04Å
408	R	82.6	Confident	83.3	Confident	141 Å²	141	56.2 Å²	56.2	53%	0.532	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.2	174.6	-80.5	178.6	61.7	172	2.2	115	H350 V404 V406 F418	H350-R408 PolarHBondContact CE1-O 3.32Å; H350-R408 VanDerWaalsContact CE1-O 3.24Å; V404-R408 HydrophobicContact CG1-CG 4.47Å; V404-R408 WeakPolarHBondContact O-CB 3.39Å; V404-R408 WeakPolarHBondContact O-CD 3.32Å; V404-R408 WeakPolarHBondContact O-CG 3.32Å; V404-R408 PolarHBondContact O-N 3.02Å; V406-R408 PolarHBondContact O-N 3.41Å; V406-R408 VanDerWaalsContact O-N 3.14Å; R408-F418 HydrophobicContact CG-CD1 3.74Å; R408-F418 HydrophobicContact CG-CD2 4.44Å; R408-F418 HydrophobicContact CG-CE1 3.38Å; R408-F418 HydrophobicContact CG-CE2 4.12Å; R408-F418 HydrophobicContact CG-CG 4.26Å; R408-F418 HydrophobicContact CG-CZ 3.58Å
409	C	81.9	Confident	84.2	Confident	83 Å²	83	49.5 Å²	49.5	56%	0.561	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	1.4	178.4	-67.7	0	0	0	0	112.8	V406 M407 M473	V406-C409 WeakPolarHBondContact O-CB 3.15Å; V406-C409 PolarHBondContact O-N 3.23Å; M407-C409 PolarHBondContact O-N 3.11Å; M407-C409 VanDerWaalsContact O-N 3.16Å; C409-M473 WeakPolarHBondContact O-CE 3.49Å
410	L	86.2	Confident	85.3	Confident	15 Å²	15	48.5 Å²	48.5	8%	0.079	24%	0.239	C	C	.	.			trans	-101	135.3	-177.2	-57.2	179.8	0	0	0	111.6	V406 M407 V415 Y469 L470 I475 F498	V406-L410 HydrophobicContact CG1-CD1 3.89Å; V406-L410 HydrophobicContact CG1-CG 4.36Å; V406-L410 WeakPolarHBondContact O-CG 3.37Å; M407-L410 PolarHBondContact O-N 3.13Å; L410-V415 HydrophobicContact CB-CG1 4.03Å; L410-V415 HydrophobicContact CD1-CG1 3.9Å; L410-Y469 HydrophobicContact CB-CE1 4.18Å; L410-Y469 HydrophobicContact CD2-CE1 3.78Å; L410-L470 HydrophobicContact CD1-CD2 3.65Å; L410-L470 HydrophobicContact CD2-CD2 3.88Å; L410-L470 HydrophobicContact CG-CD2 4.42Å; L410-I475 HydrophobicContact CD2-CD1 3.72Å; L410-F498 HydrophobicContact CD1-CD2 4.45Å; L410-F498 HydrophobicContact CD1-CE1 4.33Å; L410-F498 HydrophobicContact CD1-CE2 4.22Å; L410-F498 HydrophobicContact CD1-CZ 4.18Å
411	D	88.6	Confident	86.1	Confident	80 Å²	80	49.5 Å²	49.5	43%	0.428	25%	0.246	S	C	.	.			trans	-152.5	94.7	176.7	179.8	40.9	0	0	0	109.7	R348 Y469	R348-D411 IonicContact CZ-OD1 2.7Å; R348-D411 VanDerWaalsContact CZ-OD1 3.25Å; R348-D411 IonicContact CZ-OD2 2.95Å; R348-D411 IonicContact NE-OD2 2.69Å; R348-D411 IonicContact NH1-OD1 3.63Å; R348-D411 PolarHBondContact NH1-OD1 2.86Å; R348-D411 IonicContact NH1-OD2 2.87Å; R348-D411 PolarHBondContact NH1-OD2 2.84Å; R348-D411 VanDerWaalsContact NH2-CG 3.25Å; R348-D411 IonicContact NH2-OD1 2.81Å; R348-D411 PolarHBondContact NH2-OD1 2.85Å; R348-D411 VanDerWaalsContact NH2-OD1 3.1Å; R348-D411 IonicContact NH2-OD2 2.96Å; R348-D411 PolarHBondContact NH2-OD2 3Å; D411-Y469 PolarHBondContact N-OH 2.84Å; D411-Y469 PolarHBondContact O-OH 2.83Å
412	H	94.7	Very high	86.8	Confident	46 Å²	46	45.6 Å²	45.6	21%	0.213	23%	0.225	C	C	.	.			trans	-153.1	141.4	179.1	-172.2	-94.9	0	0	0	109.3	N414 V415 Y469	H412-N414 PolarHBondContact CE1-OD1 2.83Å; H412-N414 VanDerWaalsContact CE1-OD1 3.31Å; H412-N414 PolarHBondContact ND1-N 3.12Å; H412-N414 PolarHBondContact O-N 3.06Å; H412-V415 HydrophobicContact CB-CB 4.05Å; H412-V415 HydrophobicContact CB-CG2 3.95Å; H412-V415 PolarHBondContact O-N 3.29Å; H412-V415 VanDerWaalsContact O-N 3.09Å; H412-Y469 HydrophobicContact CB-CD1 3.51Å; H412-Y469 HydrophobicContact CB-CD2 4.07Å; H412-Y469 HydrophobicContact CB-CE1 3.8Å; H412-Y469 HydrophobicContact CB-CE2 4.34Å; H412-Y469 HydrophobicContact CB-CG 3.64Å; H412-Y469 AromaticContact CD2-CD2 3.86Å; H412-Y469 AromaticContact CD2-CG 3.76Å; H412-Y469 AromaticContact CG-CG 3.72Å
413	P	95	Very high	87.4	Confident	89 Å²	89	46.2 Å²	46.2	58%	0.578	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-36.9	-177.6	19.7	-33.4	0	0	0	113.7	V494	P413-V494 WeakPolarHBondContact O-CG1 3.44Å
414	N	97.3	Very high	87.6	Confident	13 Å²	13	49.2 Å²	49.2	7%	0.07	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	21.5	179.9	-49.9	98.6	0	0	0	114.3	H412 D462 V493 V494 V495	H412-N414 PolarHBondContact CE1-OD1 2.83Å; H412-N414 VanDerWaalsContact CE1-OD1 3.31Å; H412-N414 PolarHBondContact ND1-N 3.12Å; H412-N414 PolarHBondContact O-N 3.06Å; N414-D462 WeakPolarHBondContact CB-O 3.32Å; N414-D462 WeakPolarHBondContact ND2-CB 3.48Å; N414-D462 PolarHBondContact ND2-OD1 3.35Å; N414-V493 WeakPolarHBondContact CA-O 3.26Å; N414-V493 WeakPolarHBondContact CB-O 3.35Å; N414-V493 PolarHBondContact ND2-O 2.62Å; N414-V494 WeakPolarHBondContact O-CA 3.07Å; N414-V495 PolarHBondContact O-N 3.17Å
415	V	95	Very high	87.7	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.018	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-130.4	134.2	176.5	171.1	0	0	0	0	108.8	L410 H412 K417 Y469 L470 F498	L410-V415 HydrophobicContact CB-CG1 4.03Å; L410-V415 HydrophobicContact CD1-CG1 3.9Å; H412-V415 HydrophobicContact CB-CB 4.05Å; H412-V415 HydrophobicContact CB-CG2 3.95Å; H412-V415 PolarHBondContact O-N 3.29Å; H412-V415 VanDerWaalsContact O-N 3.09Å; V415-K417 PolarHBondContact O-N 3.49Å; V415-K417 VanDerWaalsContact O-N 3.11Å; V415-Y469 HydrophobicContact CG2-CD1 4.08Å; V415-L470 HydrophobicContact CG2-CG 4.41Å; V415-F498 HydrophobicContact CG1-CE2 4.28Å; V415-F498 HydrophobicContact CG1-CZ 3.84Å
416	L	93.4	Very high	87.6	Confident	22 Å²	22	56.1 Å²	56.1	12%	0.115	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-57.5	116.5	-174.7	-176.3	69.3	0	0	0	111.9	M407 F418 A432 E433 I435 L486 V494 V495 A496	M407-L416 HydrophobicContact CE-CD2 4.19Å; M407-L416 HydrophobicContact CE-CG 4.43Å; L416-F418 PolarHBondContact O-N 3.47Å; L416-A432 HydrophobicContact CD2-CB 3.96Å; L416-A432 HydrophobicContact CG-CB 4.12Å; L416-E433 HydrophobicContact CD1-CG 3.68Å; L416-I435 HydrophobicContact CD1-CD1 4.28Å; L416-I435 HydrophobicContact CD1-CG1 3.78Å; L416-L486 HydrophobicContact CD1-CD1 4.4Å; L416-V494 HydrophobicContact CD1-CG2 4.35Å; L416-V495 WeakPolarHBondContact CB-O 3.44Å; L416-V495 PolarHBondContact N-O 2.96Å; L416-A496 HydrophobicContact CB-CB 4.1Å; L416-A496 HydrophobicContact CD2-CB 3.9Å
417	K	91.5	Very high	87.5	Confident	108 Å²	108	59.5 Å²	59.5	47%	0.47	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-70.3	122.7	-173.7	-170.5	177.9	-176.9	177.4	0	112.6	V415 A432 E433	V415-K417 PolarHBondContact O-N 3.49Å; V415-K417 VanDerWaalsContact O-N 3.11Å; K417-A432 WeakPolarHBondContact O-CA 3.45Å; K417-E433 HydrophobicContact CB-CB 4.37Å; K417-E433 VanDerWaalsContact CB-CD 3.4Å; K417-E433 HydrophobicContact CB-CG 3.9Å; K417-E433 WeakPolarHBondContact CB-OE1 3.49Å; K417-E433 PolarHBondContact N-OE1 3.37Å; K417-E433 PolarHBondContact O-N 3.28Å; K417-E433 VanDerWaalsContact O-N 3.09Å
418	F	91	Very high	87.5	Confident	10 Å²	10	61.6 Å²	61.6	4%	0.044	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.2	169.1	-170	-91	0	0	0	111	H350 V404 M407 R408 L416 G420 V421 F430	H350-F418 HydrophobicContact CB-CD1 4.39Å; H350-F418 HydrophobicContact CB-CE1 4.09Å; H350-F418 AromaticContact CD2-CD1 3.64Å; H350-F418 AromaticContact CG-CD1 3.85Å; H350-F418 AromaticContact CG-CE1 3.94Å; H350-F418 AromaticContact NE2-CD1 3.98Å; V404-F418 HydrophobicContact CG1-CE2 4.2Å; V404-F418 HydrophobicContact CG1-CZ 4.16Å; M407-F418 HydrophobicContact CB-CB 4.14Å; M407-F418 HydrophobicContact CB-CD2 3.61Å; M407-F418 HydrophobicContact CB-CE2 4.4Å; M407-F418 HydrophobicContact CB-CG 4.19Å; M407-F418 HydrophobicContact CE-CD2 4.42Å; M407-F418 WeakPolarHBondContact O-CB 3.22Å; M407-F418 HydrophobicContact SD-CD2 4.43Å; R408-F418 HydrophobicContact CG-CD1 3.74Å; R408-F418 HydrophobicContact CG-CD2 4.44Å; R408-F418 HydrophobicContact CG-CE1 3.38Å; R408-F418 HydrophobicContact CG-CE2 4.12Å; R408-F418 HydrophobicContact CG-CG 4.26Å; R408-F418 HydrophobicContact CG-CZ 3.58Å; L416-F418 PolarHBondContact O-N 3.47Å; F418-G420 WeakPolarHBondContact CZ-O 3.48Å; F418-V421 HydrophobicContact CZ-CG1 3.8Å; F418-F430 HydrophobicContact CD2-CD2 4.36Å; F418-F430 HydrophobicContact CE2-CB 3.75Å; F418-F430 HydrophobicContact CE2-CD2 4.19Å; F418-F430 HydrophobicContact CE2-CG 4.13Å; F418-F430 HydrophobicContact CZ-CB 4.3Å
419	I	92.1	Very high	87.7	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.087	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-43.2	179.3	-65.2	-178	0	0	0	111.5	R351 F353 M384 I431 E433	R351-I419 PolarHBondContact N-O 3.21Å; F353-I419 HydrophobicContact CE2-CG2 3.96Å; F353-I419 HydrophobicContact CZ-CG2 3.86Å; M384-I419 HydrophobicContact CB-CD1 4.39Å; M384-I419 HydrophobicContact CG-CD1 3.72Å; M384-I419 HydrophobicContact SD-CD1 3.79Å; M384-I419 HydrophobicContact SD-CG2 3.91Å; I419-I431 WeakPolarHBondContact CA-O 3.48Å; I419-I431 HydrophobicContact CB-CB 4.48Å; I419-I431 HydrophobicContact CB-CG2 4.23Å; I419-I431 WeakPolarHBondContact CB-O 3.28Å; I419-I431 HydrophobicContact CG2-CG2 4.38Å; I419-I431 PolarHBondContact N-O 2.9Å; I419-E433 HydrophobicContact CD1-CB 4.15Å
420	G	89.7	Confident	88	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-170.4	-170.3	0	0	0	0	0	115.3	R351 F418 I431	R351-G420 CarbonylContact O-C 3.59Å; R351-G420 WeakPolarHBondContact O-CA 3.35Å; F418-G420 WeakPolarHBondContact CZ-O 3.48Å; G420-I431 PolarHBondContact N-O 2.89Å; G420-I431 VanDerWaalsContact N-O 3.1Å; G420-I431 PolarHBondContact O-N 3.1Å
421	V	90.1	Very high	88.3	Confident	28 Å²	28	50.5 Å²	50.5	17%	0.17	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155	175.7	-63.8	0	0	0	0	111.1	R351 I352 F353 V404 F418 L428 N429	R351-V421 PolarHBondContact O-N 3.33Å; I352-V421 WeakPolarHBondContact CA-O 3.49Å; I352-V421 HydrophobicContact CG1-CG2 4.04Å; F353-V421 PolarHBondContact N-O 3.21Å; V404-V421 HydrophobicContact CG1-CG1 4.26Å; F418-V421 HydrophobicContact CZ-CG1 3.8Å; V421-L428 HydrophobicContact CB-CD1 4.07Å; V421-L428 HydrophobicContact CG1-CD1 4.33Å; V421-N429 WeakPolarHBondContact CA-O 3.4Å
422	L	89.1	Confident	88.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.2	170.2	177.7	155.9	0	0	0	107.7	F353 P355 L358 M386 K424 N429 I431	F353-L422 HydrophobicContact CB-CB 4.33Å; F353-L422 HydrophobicContact CB-CD1 4.3Å; P355-L422 HydrophobicContact CG-CD2 4.23Å; L358-L422 HydrophobicContact CD1-CD1 3.5Å; L358-L422 VanDerWaalsContact CD1-CD1 3.5Å; L358-L422 HydrophobicContact CG-CD1 4.23Å; M386-L422 HydrophobicContact SD-CD1 4.13Å; M386-L422 HydrophobicContact SD-CD2 4.29Å; L422-K424 HydrophobicContact CD2-CB 3.72Å; L422-N429 HydrophobicContact CB-CB 4.39Å; L422-N429 HydrophobicContact CD2-CB 4.29Å; L422-N429 PolarHBondContact N-O 3.49Å; L422-N429 PolarHBondContact O-N 3.37Å; L422-N429 VanDerWaalsContact O-O 3.08Å; L422-I431 HydrophobicContact CB-CD1 4.33Å
423	Y	84.6	Confident	88.5	Confident	139 Å²	139	46 Å²	46	55%	0.545	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.1	176.8	-168.1	-106.4	0	0	0	109.6	K426 R427 L428	Y423-K426 WeakPolarHBondContact CE2-O 3.49Å; Y423-K426 WeakPolarHBondContact OH-CA 3.49Å; Y423-K426 PolarHBondContact OH-O 2.82Å; Y423-R427 WeakPolarHBondContact CA-O 3.31Å; Y423-R427 VanDerWaalsContact CD2-O 3.26Å; Y423-R427 WeakPolarHBondContact CD2-O 3.41Å; Y423-L428 HydrophobicContact CD2-CB 4.37Å; Y423-L428 HydrophobicContact CD2-CD1 4.19Å
424	K	80.1	Confident	88.5	Confident	70 Å²	70	44.6 Å²	44.6	30%	0.304	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	129.9	-174.9	-178.4	-176.4	169.7	-163.3	0	109.4	P355 L422 K426 R427	P355-K424 HydrophobicContact CB-CD 4.3Å; P355-K424 HydrophobicContact CG-CB 3.84Å; P355-K424 HydrophobicContact CG-CD 4.11Å; P355-K424 HydrophobicContact CG-CG 3.85Å; L422-K424 HydrophobicContact CD2-CB 3.72Å; K424-K426 PolarHBondContact O-N 3.44Å; K424-K426 VanDerWaalsContact O-N 3.13Å; K424-R427 PolarHBondContact N-O 3.24Å; K424-R427 WeakPolarHBondContact O-CA 3.26Å; K424-R427 WeakPolarHBondContact O-CB 3.49Å; K424-R427 PolarHBondContact O-N 3.14Å
425	D	81.6	Confident	88.3	Confident	128 Å²	128	44.7 Å²	44.7	68%	0.684	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	42.9	171.8	-50.9	-31.2	0	0	0	114	R427	D425-R427 PolarHBondContact O-N 2.83Å
426	K	75.7	Confident	88.1	Confident	170 Å²	170	50.7 Å²	50.7	74%	0.739	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	-1.1	-172.4	-58.9	-179.1	-179.5	176.9	0	116.7	Y423 K424	Y423-K426 WeakPolarHBondContact CE2-O 3.49Å; Y423-K426 WeakPolarHBondContact OH-CA 3.49Å; Y423-K426 PolarHBondContact OH-O 2.82Å; K424-K426 PolarHBondContact O-N 3.44Å; K424-K426 VanDerWaalsContact O-N 3.13Å
427	R	76.2	Confident	87.9	Confident	83 Å²	83	51.1 Å²	51.1	31%	0.313	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	137.3	175.3	-55.5	-178.7	178	-117.5	-3.5	110.7	L389 I390 F392 Y423 K424 D425	L389-R427 PolarHBondContact O-NH1 2.91Å; I390-R427 PolarHBondContact O-NH1 3.44Å; F392-R427 HydrophobicContact CD2-CG 4.21Å; F392-R427 HydrophobicContact CE2-CG 3.93Å; Y423-R427 WeakPolarHBondContact CA-O 3.31Å; Y423-R427 VanDerWaalsContact CD2-O 3.26Å; Y423-R427 WeakPolarHBondContact CD2-O 3.41Å; K424-R427 PolarHBondContact N-O 3.24Å; K424-R427 WeakPolarHBondContact O-CA 3.26Å; K424-R427 WeakPolarHBondContact O-CB 3.49Å; K424-R427 PolarHBondContact O-N 3.14Å; D425-R427 PolarHBondContact O-N 2.83Å
428	L	81.7	Confident	88	Confident	46 Å²	46	46.9 Å²	46.9	24%	0.241	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.1	167.8	-172.7	71.7	0	0	0	108	F400 L401 V421 Y423	F400-L428 HydrophobicContact CE1-CB 4.13Å; F400-L428 HydrophobicContact CE1-CD2 4.18Å; F400-L428 HydrophobicContact CE1-CG 4.12Å; F400-L428 WeakPolarHBondContact CE1-O 3.49Å; F400-L428 VanDerWaalsContact CZ-O 3.24Å; F400-L428 WeakPolarHBondContact CZ-O 3.25Å; L401-L428 HydrophobicContact CD2-CD2 3.69Å; V421-L428 HydrophobicContact CB-CD1 4.07Å; V421-L428 HydrophobicContact CG1-CD1 4.33Å; Y423-L428 HydrophobicContact CD2-CB 4.37Å; Y423-L428 HydrophobicContact CD2-CD1 4.19Å
429	N	87.2	Confident	88.1	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	153.3	168.1	-64	-10.4	0	0	0	107.7	M386 K387 V421 L422	M386-N429 HydrophobicContact CG-CB 3.85Å; M386-N429 HydrophobicContact SD-CB 3.93Å; M386-N429 PolarHBondContact SD-ND2 3.05Å; M386-N429 VanDerWaalsContact SD-ND2 3.4Å; K387-N429 WeakPolarHBondContact O-CA 3.22Å; V421-N429 WeakPolarHBondContact CA-O 3.4Å; L422-N429 HydrophobicContact CB-CB 4.39Å; L422-N429 HydrophobicContact CD2-CB 4.29Å; L422-N429 PolarHBondContact N-O 3.49Å; L422-N429 PolarHBondContact O-N 3.37Å; L422-N429 VanDerWaalsContact O-O 3.08Å
430	F	88.4	Confident	88.3	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.6	170.9	76.3	-106.1	0	0	0	112.4	M386 K387 F400 E403 V404 M407 F418 A432	M386-F430 WeakPolarHBondContact CA-O 3.48Å; K387-F430 HydrophobicContact CB-CD1 4.17Å; K387-F430 HydrophobicContact CB-CD2 4.39Å; K387-F430 HydrophobicContact CB-CE1 3.81Å; K387-F430 HydrophobicContact CB-CE2 4.02Å; K387-F430 HydrophobicContact CB-CG 4.47Å; K387-F430 HydrophobicContact CB-CZ 3.74Å; K387-F430 HydrophobicContact CD-CE1 3.54Å; K387-F430 HydrophobicContact CD-CE2 4.38Å; K387-F430 HydrophobicContact CD-CZ 3.39Å; K387-F430 HydrophobicContact CG-CE1 4.23Å; K387-F430 HydrophobicContact CG-CZ 4.19Å; K387-F430 PolarHBondContact N-O 3.38Å; K387-F430 PolarHBondContact O-N 2.99Å; F400-F430 HydrophobicContact CD2-CD1 4.41Å; F400-F430 HydrophobicContact CD2-CE1 4.35Å; F400-F430 HydrophobicContact CE1-CD1 4.32Å; F400-F430 AromaticContact CE2-CD1 3.53Å; F400-F430 HydrophobicContact CE2-CD1 3.53Å; F400-F430 AromaticContact CE2-CE1 3.72Å; F400-F430 HydrophobicContact CE2-CE1 3.72Å; F400-F430 AromaticContact CZ-CD1 3.48Å; F400-F430 HydrophobicContact CZ-CD1 3.48Å; F400-F430 VanDerWaalsContact CZ-CD1 3.48Å; F400-F430 HydrophobicContact CZ-CE1 4.17Å; F400-F430 HydrophobicContact CZ-CG 4.42Å; E403-F430 HydrophobicContact CG-CE1 4.08Å; E403-F430 HydrophobicContact CG-CZ 4.31Å; E403-F430 WeakPolarHBondContact OE1-CZ 3.4Å; V404-F430 HydrophobicContact CG2-CB 3.94Å; V404-F430 HydrophobicContact CG2-CD1 3.52Å; V404-F430 HydrophobicContact CG2-CE1 4.34Å; V404-F430 HydrophobicContact CG2-CG 4.06Å; M407-F430 HydrophobicContact CE-CE2 3.9Å; M407-F430 HydrophobicContact CE-CZ 4.39Å; M407-F430 HydrophobicContact SD-CD2 4.3Å; M407-F430 HydrophobicContact SD-CE1 4.28Å; M407-F430 HydrophobicContact SD-CE2 3.54Å; M407-F430 VanDerWaalsContact SD-CE2 3.54Å; M407-F430 HydrophobicContact SD-CZ 3.51Å; M407-F430 VanDerWaalsContact SD-CZ 3.51Å; F418-F430 HydrophobicContact CD2-CD2 4.36Å; F418-F430 HydrophobicContact CE2-CB 3.75Å; F418-F430 HydrophobicContact CE2-CD2 4.19Å; F418-F430 HydrophobicContact CE2-CG 4.13Å; F418-F430 HydrophobicContact CZ-CB 4.3Å; F430-A432 HydrophobicContact CE2-CB 4.31Å
431	I	92.1	Very high	88.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.2	-177.5	-48.4	-58.3	0	0	0	108.5	F353 L358 M384 V385 M386 I419 G420 L422	F353-I431 HydrophobicContact CD2-CB 4.27Å; F353-I431 HydrophobicContact CD2-CG1 3.63Å; F353-I431 HydrophobicContact CE2-CB 3.98Å; F353-I431 HydrophobicContact CE2-CG1 3.86Å; F353-I431 HydrophobicContact CE2-CG2 4.09Å; L358-I431 HydrophobicContact CD1-CD1 3.79Å; M384-I431 HydrophobicContact CB-CG2 3.67Å; M384-I431 HydrophobicContact CE-CG2 4.05Å; M384-I431 HydrophobicContact CG-CG2 4.17Å; M384-I431 HydrophobicContact SD-CG2 3.6Å; M384-I431 VanDerWaalsContact SD-CG2 3.6Å; V385-I431 CarbonylContact O-C 3.53Å; V385-I431 VanDerWaalsContact O-CA 3.3Å; V385-I431 WeakPolarHBondContact O-CA 3.2Å; M386-I431 HydrophobicContact CB-CD1 3.63Å; M386-I431 HydrophobicContact CG-CD1 3.68Å; M386-I431 HydrophobicContact SD-CD1 4.24Å; I419-I431 WeakPolarHBondContact CA-O 3.48Å; I419-I431 HydrophobicContact CB-CB 4.48Å; I419-I431 HydrophobicContact CB-CG2 4.23Å; I419-I431 WeakPolarHBondContact CB-O 3.28Å; I419-I431 HydrophobicContact CG2-CG2 4.38Å; I419-I431 PolarHBondContact N-O 2.9Å; G420-I431 PolarHBondContact N-O 2.89Å; G420-I431 VanDerWaalsContact N-O 3.1Å; G420-I431 PolarHBondContact O-N 3.1Å; L422-I431 HydrophobicContact CB-CD1 4.33Å
432	A	93	Very high	88.8	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	168.2	173.4	0	0	0	0	0	110.3	M384 V385 M407 L416 K417 F430	M384-A432 WeakPolarHBondContact CB-O 3.49Å; V385-A432 PolarHBondContact N-O 2.9Å; V385-A432 PolarHBondContact O-N 3.21Å; M407-A432 HydrophobicContact CE-CB 4.45Å; L416-A432 HydrophobicContact CD2-CB 3.96Å; L416-A432 HydrophobicContact CG-CB 4.12Å; K417-A432 WeakPolarHBondContact O-CA 3.45Å; F430-A432 HydrophobicContact CE2-CB 4.31Å
433	E	93.9	Very high	89	Confident	29 Å²	29	51.2 Å²	51.2	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	153.1	173.3	65.6	-178.3	154.9	0	0	112.8	L416 K417 I419 I435 R488	L416-E433 HydrophobicContact CD1-CG 3.68Å; K417-E433 HydrophobicContact CB-CB 4.37Å; K417-E433 VanDerWaalsContact CB-CD 3.4Å; K417-E433 HydrophobicContact CB-CG 3.9Å; K417-E433 WeakPolarHBondContact CB-OE1 3.49Å; K417-E433 PolarHBondContact N-OE1 3.37Å; K417-E433 PolarHBondContact O-N 3.28Å; K417-E433 VanDerWaalsContact O-N 3.09Å; I419-E433 HydrophobicContact CD1-CB 4.15Å; E433-I435 HydrophobicContact CG-CD1 3.9Å; E433-I435 HydrophobicContact CG-CG1 4.49Å; E433-R488 VanDerWaalsContact CD-NH1 3.32Å; E433-R488 VanDerWaalsContact CD-NH2 3.32Å; E433-R488 IonicContact OE1-CZ 2.66Å; E433-R488 IonicContact OE1-NH1 3.36Å; E433-R488 IonicContact OE1-NH2 3.49Å; E433-R488 PolarHBondContact OE1-NH2 3.12Å; E433-R488 IonicContact OE2-CZ 2.67Å; E433-R488 IonicContact OE2-NH1 3.85Å; E433-R488 PolarHBondContact OE2-NH1 3.01Å; E433-R488 IonicContact OE2-NH2 3.86Å; E433-R488 PolarHBondContact OE2-NH2 3.25Å
434	Y	94.6	Very high	89.5	Confident	59 Å²	59	44.7 Å²	44.7	23%	0.231	22%	0.218	C	C	.	.			trans	-91.2	124.7	174.9	175.7	-110.4	0	0	0	111.4	L364 K374 V383 V385 K436	L364-Y434 HydrophobicContact CD1-CD2 3.96Å; L364-Y434 HydrophobicContact CD1-CE2 3.82Å; L364-Y434 HydrophobicContact CD2-CE2 4.1Å; K374-Y434 HydrophobicContact CD-CE2 4.21Å; K374-Y434 HydrophobicContact CG-CD2 4.37Å; K374-Y434 HydrophobicContact CG-CE2 4.26Å; V383-Y434 HydrophobicContact CB-CD1 4.48Å; V383-Y434 HydrophobicContact CG1-CD1 3.75Å; V383-Y434 HydrophobicContact CG1-CE1 4.34Å; V383-Y434 HydrophobicContact CG1-CG 3.87Å; V385-Y434 HydrophobicContact CG2-CD2 3.75Å; V385-Y434 HydrophobicContact CG2-CG 4.44Å; Y434-K436 HydrophobicContact CD1-CB 4.44Å; Y434-K436 HydrophobicContact CE1-CB 3.77Å; Y434-K436 HydrophobicContact CE1-CG 3.93Å
435	I	94.3	Very high	90.1	Very high	15 Å²	15	48.6 Å²	48.6	8%	0.077	24%	0.236	C	C	.	.			trans	-108	111.6	177.7	-51.2	-63.4	0	0	0	108.2	L416 E433 L486 V487 R488 V494	L416-I435 HydrophobicContact CD1-CD1 4.28Å; L416-I435 HydrophobicContact CD1-CG1 3.78Å; E433-I435 HydrophobicContact CG-CD1 3.9Å; E433-I435 HydrophobicContact CG-CG1 4.49Å; I435-L486 HydrophobicContact CB-CB 3.99Å; I435-L486 HydrophobicContact CB-CD1 4.14Å; I435-L486 HydrophobicContact CG1-CB 4.23Å; I435-L486 HydrophobicContact CG1-CD1 4.05Å; I435-L486 HydrophobicContact CG2-CB 3.66Å; I435-V487 VanDerWaalsContact CG2-C 3.43Å; I435-V487 WeakPolarHBondContact CG2-O 3.3Å; I435-R488 HydrophobicContact CD1-CG 4.06Å; I435-R488 HydrophobicContact CG2-CG 4.23Å; I435-V494 HydrophobicContact CD1-CG2 3.93Å; I435-V494 HydrophobicContact CG1-CG2 3.88Å
436	K	90.9	Very high	90.5	Very high	129 Å²	129	50.1 Å²	50.1	56%	0.561	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-26.1	-167.1	-168.1	-167.5	177.2	-176.1	0	114.7	Y434 G438 E489	Y434-K436 HydrophobicContact CD1-CB 4.44Å; Y434-K436 HydrophobicContact CE1-CB 3.77Å; Y434-K436 HydrophobicContact CE1-CG 3.93Å; K436-G438 PolarHBondContact O-N 2.97Å; K436-E489 HydrophobicContact CB-CG 4.22Å; K436-E489 HydrophobicContact CD-CG 3.91Å; K436-E489 WeakPolarHBondContact CD-OE1 3.41Å; K436-E489 WeakPolarHBondContact CE-OE1 3.46Å; K436-E489 IonicContact NZ-OE1 3.31Å; K436-E489 PolarHBondContact NZ-OE1 3.42Å
437	G	89.1	Confident	91.3	Very high	32 Å²	32	42.4 Å²	42.4	33%	0.33	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.1	-174.3	0	0	0	0	0	115.3	V487	G437-V487 WeakPolarHBondContact CA-O 3.47Å; G437-V487 PolarHBondContact N-O 2.72Å
438	G	92.1	Very high	91.9	Very high	18 Å²	18	42.6 Å²	42.6	19%	0.186	21%	0.21	C	C	.	.			trans	77	-160.4	179.4	0	0	0	0	0	113.2	K436 L486 V487	K436-G438 PolarHBondContact O-N 2.97Å; G438-L486 WeakPolarHBondContact O-CA 3.26Å; G438-V487 PolarHBondContact O-N 3.21Å
439	T	94.7	Very high	91.9	Very high	23 Å²	23	44.1 Å²	44.1	14%	0.141	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-80.8	152	179.1	64.2	0	0	0	0	112.3	R441 E442 I443 H483 C485 L486	T439-R441 PolarHBondContact O-N 3.21Å; T439-E442 WeakPolarHBondContact CB-OE1 3.45Å; T439-E442 WeakPolarHBondContact CG2-OE1 3.38Å; T439-E442 PolarHBondContact N-OE1 3.2Å; T439-E442 WeakPolarHBondContact O-CB 3.45Å; T439-E442 PolarHBondContact O-N 2.93Å; T439-E442 VanDerWaalsContact O-N 3.13Å; T439-E442 VanDerWaalsContact OG1-CG 3.31Å; T439-E442 WeakPolarHBondContact OG1-CG 3.41Å; T439-E442 PolarHBondContact OG1-N 3.1Å; T439-E442 PolarHBondContact OG1-OE1 3.26Å; T439-I443 PolarHBondContact O-N 3.44Å; T439-H483 VanDerWaalsContact CG2-O 3.28Å; T439-H483 WeakPolarHBondContact CG2-O 3.41Å; T439-C485 CarbonylContact C-O 3.59Å; T439-C485 WeakPolarHBondContact CA-O 3.47Å; T439-L486 HydrophobicContact CG2-CD2 3.95Å
440	L	96.1	Very high	91.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-35.9	172.7	178.5	62.3	0	0	0	111.3	E442 I443 I444 F459 I463 S482 C485 V487 M561 I565	L440-E442 VanDerWaalsContact C-N 3.33Å; L440-E442 PolarHBondContact O-N 3.35Å; L440-I443 PolarHBondContact O-N 3.4Å; L440-I443 VanDerWaalsContact O-N 3.11Å; L440-I444 HydrophobicContact CD1-CD1 4.39Å; L440-I444 HydrophobicContact CD1-CG1 4.32Å; L440-I444 HydrophobicContact CD2-CD1 4.47Å; L440-I444 HydrophobicContact CG-CD1 3.91Å; L440-I444 HydrophobicContact CG-CG1 4.31Å; L440-I444 WeakPolarHBondContact O-CG1 3.34Å; L440-I444 PolarHBondContact O-N 2.92Å; L440-F459 HydrophobicContact CD1-CD2 3.91Å; L440-F459 HydrophobicContact CD1-CE2 4.28Å; L440-F459 HydrophobicContact CD1-CG 4.27Å; L440-I463 HydrophobicContact CD2-CD1 3.61Å; L440-S482 PolarHBondContact N-O 2.83Å; L440-C485 HydrophobicContact CB-CB 3.91Å; L440-C485 HydrophobicContact CD2-CB 4.09Å; L440-C485 PolarHBondContact N-O 2.84Å; L440-V487 HydrophobicContact CB-CG2 4.22Å; L440-V487 HydrophobicContact CD1-CG2 4.22Å; L440-M561 HydrophobicContact CD2-CG 4.41Å; L440-M561 HydrophobicContact CD2-SD 3.79Å; L440-I565 HydrophobicContact CD2-CD1 4.24Å
441	R	95.1	Very high	92.1	Very high	16 Å²	16	51.3 Å²	51.3	6%	0.06	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-43.7	173.7	-172.1	78.5	-167.4	124.2	14.7	112.4	T439 I443 I444 K445 S482 E564 V569 N570	T439-R441 PolarHBondContact O-N 3.21Å; R441-I443 VanDerWaalsContact C-N 3.32Å; R441-I443 PolarHBondContact O-N 3.44Å; R441-I444 PolarHBondContact O-N 3.38Å; R441-K445 WeakPolarHBondContact O-CG 3.08Å; R441-K445 PolarHBondContact O-N 2.93Å; R441-S482 VanDerWaalsContact CD-OG 3.22Å; R441-S482 WeakPolarHBondContact CD-OG 3.22Å; R441-S482 PolarHBondContact N-O 2.71Å; R441-E564 WeakPolarHBondContact CD-OE1 3.28Å; R441-E564 IonicContact CZ-OE1 3.76Å; R441-E564 IonicContact NE-OE1 2.82Å; R441-E564 IonicContact NH1-OE1 2.78Å; R441-E564 PolarHBondContact NH1-OE1 3.23Å; R441-V569 PolarHBondContact NH1-O 2.89Å; R441-N570 VanDerWaalsContact CZ-OD1 3.3Å; R441-N570 PolarHBondContact NE-OD1 3.09Å; R441-N570 VanDerWaalsContact NH2-CA 3.3Å; R441-N570 VanDerWaalsContact NH2-CB 3.34Å; R441-N570 VanDerWaalsContact NH2-CG 3.28Å; R441-N570 PolarHBondContact NH2-OD1 2.95Å
442	E	93.8	Very high	92.2	Very high	80 Å²	80	54.5 Å²	54.5	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-65.1	-35.5	176.3	-72.8	159.6	-110.6	0	0	112.5	T439 L440 K446	T439-E442 WeakPolarHBondContact CB-OE1 3.45Å; T439-E442 WeakPolarHBondContact CG2-OE1 3.38Å; T439-E442 PolarHBondContact N-OE1 3.2Å; T439-E442 WeakPolarHBondContact O-CB 3.45Å; T439-E442 PolarHBondContact O-N 2.93Å; T439-E442 VanDerWaalsContact O-N 3.13Å; T439-E442 VanDerWaalsContact OG1-CG 3.31Å; T439-E442 WeakPolarHBondContact OG1-CG 3.41Å; T439-E442 PolarHBondContact OG1-N 3.1Å; T439-E442 PolarHBondContact OG1-OE1 3.26Å; L440-E442 VanDerWaalsContact C-N 3.33Å; L440-E442 PolarHBondContact O-N 3.35Å; E442-K446 WeakPolarHBondContact O-CD 3.45Å; E442-K446 VanDerWaalsContact O-CG 3.26Å; E442-K446 WeakPolarHBondContact O-CG 3.41Å; E442-K446 PolarHBondContact O-N 3.09Å
443	I	94.3	Very high	92.3	Very high	29 Å²	29	55.9 Å²	55.9	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-69.5	-46.4	175.7	-63.7	-173.5	0	0	0	110.2	T439 L440 R441 K445 K446 M447 F459 V487	T439-I443 PolarHBondContact O-N 3.44Å; L440-I443 PolarHBondContact O-N 3.4Å; L440-I443 VanDerWaalsContact O-N 3.11Å; R441-I443 VanDerWaalsContact C-N 3.32Å; R441-I443 PolarHBondContact O-N 3.44Å; I443-K445 VanDerWaalsContact C-N 3.3Å; I443-K445 PolarHBondContact O-N 2.68Å; I443-K446 CarbonylContact O-C 3.56Å; I443-K446 WeakPolarHBondContact O-CA 3.31Å; I443-K446 PolarHBondContact O-N 3.17Å; I443-M447 HydrophobicContact CG2-CE 3.92Å; I443-M447 WeakPolarHBondContact O-CG 3.47Å; I443-M447 PolarHBondContact O-N 3.03Å; I443-F459 HydrophobicContact CG2-CE2 4.14Å; I443-F459 HydrophobicContact CG2-CZ 4.31Å; I443-V487 HydrophobicContact CD1-CB 3.54Å; I443-V487 HydrophobicContact CD1-CG1 3.69Å; I443-V487 HydrophobicContact CD1-CG2 3.74Å
444	I	94.4	Very high	92.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-55.5	-44.9	176.2	-67.9	168.8	0	0	0	110.9	L440 R441 K446 M447 E564 I565 R568	L440-I444 HydrophobicContact CD1-CD1 4.39Å; L440-I444 HydrophobicContact CD1-CG1 4.32Å; L440-I444 HydrophobicContact CD2-CD1 4.47Å; L440-I444 HydrophobicContact CG-CD1 3.91Å; L440-I444 HydrophobicContact CG-CG1 4.31Å; L440-I444 WeakPolarHBondContact O-CG1 3.34Å; L440-I444 PolarHBondContact O-N 2.92Å; R441-I444 PolarHBondContact O-N 3.38Å; I444-K446 PolarHBondContact O-N 2.95Å; I444-M447 HydrophobicContact CG1-CE 4Å; I444-M447 WeakPolarHBondContact O-CB 3.38Å; I444-M447 PolarHBondContact O-N 3.48Å; I444-M447 VanDerWaalsContact O-N 3.12Å; I444-E564 HydrophobicContact CD1-CB 3.94Å; I444-I565 HydrophobicContact CD1-CG1 3.83Å; I444-I565 HydrophobicContact CG1-CG1 4.42Å; I444-R568 HydrophobicContact CG2-CB 4.47Å
445	K	92.8	Very high	92.5	Very high	153 Å²	153	56.4 Å²	56.4	67%	0.665	29%	0.293	S	S	*	.	H	α-helix	trans	-60.6	-27.2	174.7	-76.1	-176.1	175.1	-169.1	0	114.1	R441 I443	R441-K445 WeakPolarHBondContact O-CG 3.08Å; R441-K445 PolarHBondContact O-N 2.93Å; I443-K445 VanDerWaalsContact C-N 3.3Å; I443-K445 PolarHBondContact O-N 2.68Å
446	K	91.1	Very high	92.6	Very high	159 Å²	159	55.8 Å²	55.8	69%	0.691	29%	0.29	S	S	*	.	H	α-helix	trans	-93.9	-3	178.4	-66.9	166.3	-171.8	165.7	0	113	E442 I443 I444 D448	E442-K446 WeakPolarHBondContact O-CD 3.45Å; E442-K446 VanDerWaalsContact O-CG 3.26Å; E442-K446 WeakPolarHBondContact O-CG 3.41Å; E442-K446 PolarHBondContact O-N 3.09Å; I443-K446 CarbonylContact O-C 3.56Å; I443-K446 WeakPolarHBondContact O-CA 3.31Å; I443-K446 PolarHBondContact O-N 3.17Å; I444-K446 PolarHBondContact O-N 2.95Å; K446-D448 PolarHBondContact O-N 2.71Å
447	M	90.6	Very high	93	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.044	26%	0.263	C	S	.	.			trans	-73.2	121.1	179.1	-69.4	-174.2	-171.4	0	0	111.2	I443 I444 F451 R456 F459 R568	I443-M447 HydrophobicContact CG2-CE 3.92Å; I443-M447 WeakPolarHBondContact O-CG 3.47Å; I443-M447 PolarHBondContact O-N 3.03Å; I444-M447 HydrophobicContact CG1-CE 4Å; I444-M447 WeakPolarHBondContact O-CB 3.38Å; I444-M447 PolarHBondContact O-N 3.48Å; I444-M447 VanDerWaalsContact O-N 3.12Å; M447-F451 HydrophobicContact CB-CB 3.99Å; M447-F451 HydrophobicContact CB-CD2 4.46Å; M447-F451 HydrophobicContact CB-CG 4.13Å; M447-F451 HydrophobicContact CE-CD1 3.94Å; M447-F451 HydrophobicContact CE-CE1 3.67Å; M447-F451 HydrophobicContact CE-CZ 4.06Å; M447-F451 HydrophobicContact CG-CB 4.08Å; M447-F451 HydrophobicContact CG-CD1 3.93Å; M447-F451 HydrophobicContact CG-CD2 3.88Å; M447-F451 HydrophobicContact CG-CE1 4.39Å; M447-F451 HydrophobicContact CG-CE2 4.33Å; M447-F451 HydrophobicContact CG-CG 3.66Å; M447-F451 HydrophobicContact SD-CD1 3.67Å; M447-F451 HydrophobicContact SD-CE1 4.06Å; M447-F451 HydrophobicContact SD-CG 4.03Å; M447-R456 HydrophobicContact SD-CG 4.47Å; M447-F459 HydrophobicContact CE-CD2 4.08Å; M447-F459 HydrophobicContact CE-CE2 3.7Å; M447-R568 HydrophobicContact CB-CG 4.07Å; M447-R568 WeakPolarHBondContact O-CD 3.1Å; M447-R568 PolarHBondContact O-NH1 3.4Å; M447-R568 HydrophobicContact SD-CG 4.4Å
448	D	89.7	Confident	93.4	Very high	87 Å²	87	49.1 Å²	49.1	47%	0.465	25%	0.254	S	S	.	.			trans	-75.5	-175.6	165.1	70.4	18	0	0	0	111.9	K446 N450 F451 R568	K446-D448 PolarHBondContact O-N 2.71Å; D448-N450 VanDerWaalsContact C-N 3.26Å; D448-N450 PolarHBondContact O-N 2.83Å; D448-N450 VanDerWaalsContact OD1-C 3.31Å; D448-N450 VanDerWaalsContact OD1-CA 3.31Å; D448-N450 WeakPolarHBondContact OD1-CA 3.27Å; D448-N450 PolarHBondContact OD1-N 3.4Å; D448-F451 PolarHBondContact OD1-N 3.13Å; D448-R568 VanDerWaalsContact C-NH1 3.31Å; D448-R568 WeakPolarHBondContact O-CD 3.49Å; D448-R568 PolarHBondContact O-NH1 2.7Å
449	S	82.6	Confident	93.7	Very high	78 Å²	78	48.3 Å²	48.3	55%	0.545	25%	0.245	S	C	.	.	S	Bend	trans	-74.6	-12.6	177	53.8	0	0	0	0	114
450	N	86.8	Confident	93.8	Very high	112 Å²	112	47.2 Å²	47.2	60%	0.599	24%	0.239	S	C	*	.	S	Bend	trans	-100.1	-10	-179.4	-66.8	-43.5	0	0	0	113	D448	D448-N450 VanDerWaalsContact C-N 3.26Å; D448-N450 PolarHBondContact O-N 2.83Å; D448-N450 VanDerWaalsContact OD1-C 3.31Å; D448-N450 VanDerWaalsContact OD1-CA 3.31Å; D448-N450 WeakPolarHBondContact OD1-CA 3.27Å; D448-N450 PolarHBondContact OD1-N 3.4Å
451	F	92.3	Very high	94	Very high	46 Å²	46	48.9 Å²	48.9	20%	0.202	25%	0.246	C	C	.	.	S	Bend	trans	-51.6	120.9	-179.3	-171.8	-83.5	0	0	0	111.1	M447 D448 Q455 R456 F459	M447-F451 HydrophobicContact CB-CB 3.99Å; M447-F451 HydrophobicContact CB-CD2 4.46Å; M447-F451 HydrophobicContact CB-CG 4.13Å; M447-F451 HydrophobicContact CE-CD1 3.94Å; M447-F451 HydrophobicContact CE-CE1 3.67Å; M447-F451 HydrophobicContact CE-CZ 4.06Å; M447-F451 HydrophobicContact CG-CB 4.08Å; M447-F451 HydrophobicContact CG-CD1 3.93Å; M447-F451 HydrophobicContact CG-CD2 3.88Å; M447-F451 HydrophobicContact CG-CE1 4.39Å; M447-F451 HydrophobicContact CG-CE2 4.33Å; M447-F451 HydrophobicContact CG-CG 3.66Å; M447-F451 HydrophobicContact SD-CD1 3.67Å; M447-F451 HydrophobicContact SD-CE1 4.06Å; M447-F451 HydrophobicContact SD-CG 4.03Å; D448-F451 PolarHBondContact OD1-N 3.13Å; F451-Q455 HydrophobicContact CE1-CB 3.99Å; F451-Q455 HydrophobicContact CE1-CG 3.93Å; F451-Q455 HydrophobicContact CZ-CB 4.29Å; F451-Q455 HydrophobicContact CZ-CG 3.81Å; F451-R456 HydrophobicContact CD1-CG 3.74Å; F451-R456 HydrophobicContact CE1-CG 3.92Å; F451-R456 PolarHBondContact O-NE 2.8Å; F451-R456 VanDerWaalsContact O-NE 3.09Å; F451-R456 PolarHBondContact O-NH2 3.08Å; F451-R456 VanDerWaalsContact O-NH2 3.12Å; F451-F459 AromaticContact CE1-CE2 3.87Å; F451-F459 HydrophobicContact CE1-CE2 3.87Å; F451-F459 HydrophobicContact CE1-CZ 4.5Å; F451-F459 AromaticContact CZ-CE2 3.77Å; F451-F459 HydrophobicContact CZ-CE2 3.77Å; F451-F459 HydrophobicContact CZ-CZ 4.02Å
452	P	94.6	Very high	94.1	Very high	66 Å²	66	48.9 Å²	48.9	43%	0.429	25%	0.247	S	C	.	.			trans	-73	139.5	-154.8	28.4	-36.8	0	0	0	112.9	N454 Q455 R456	P452-N454 PolarHBondContact O-N 3.27Å; P452-Q455 HydrophobicContact CG-CB 4.06Å; P452-Q455 PolarHBondContact O-N 2.66Å; P452-R456 PolarHBondContact O-N 3.42Å
453	W	95.6	Very high	94.3	Very high	32 Å²	32	45 Å²	45	12%	0.121	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-34.3	-172.5	-75.3	104.5	0	0	0	114.2	Q455 R456 V457 I566 P595 K597 C598 P599 F602 L634	W453-Q455 VanDerWaalsContact C-N 3.27Å; W453-Q455 PolarHBondContact O-N 3.06Å; W453-R456 HydrophobicContact CE3-CB 4.32Å; W453-R456 HydrophobicContact CE3-CG 4.5Å; W453-R456 PolarHBondContact O-N 2.65Å; W453-V457 WeakPolarHBondContact O-CG2 3.43Å; W453-V457 PolarHBondContact O-N 3.2Å; W453-I566 HydrophobicContact CH2-CG2 4.39Å; W453-I566 HydrophobicContact CZ3-CG1 4.42Å; W453-P595 HydrophobicContact CH2-CG 3.38Å; W453-P595 HydrophobicContact CZ2-CB 4.11Å; W453-P595 HydrophobicContact CZ2-CG 3.39Å; W453-K597 PolarHBondContact NE1-O 3.26Å; W453-K597 VanDerWaalsContact NE1-O 3.12Å; W453-C598 HydrophobicContact CH2-CB 4.11Å; W453-C598 HydrophobicContact CZ2-CB 4.33Å; W453-C598 HydrophobicContact CZ3-CB 4.5Å; W453-P599 HydrophobicContact CB-CG 3.75Å; W453-P599 VanDerWaalsContact CD2-CD 3.42Å; W453-P599 HydrophobicContact CD2-CG 4.1Å; W453-P599 HydrophobicContact CE3-CG 4Å; W453-P599 HydrophobicContact CG-CG 3.99Å; W453-F602 HydrophobicContact CE3-CD1 4.17Å; W453-F602 HydrophobicContact CE3-CE1 4.22Å; W453-F602 AromaticContact CZ3-CD1 3.95Å; W453-F602 HydrophobicContact CZ3-CD1 3.95Å; W453-F602 AromaticContact CZ3-CE1 3.98Å; W453-F602 HydrophobicContact CZ3-CE1 3.98Å; W453-L634 HydrophobicContact CB-CD1 4.43Å
454	N	95.3	Very high	94.5	Very high	60 Å²	60	43.7 Å²	43.7	32%	0.321	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-36.9	175.4	67.4	-22.8	0	0	0	111.7	P452 V457 S458 L634 D635	P452-N454 PolarHBondContact O-N 3.27Å; N454-V457 PolarHBondContact O-N 2.83Å; N454-S458 WeakPolarHBondContact O-CB 3.47Å; N454-S458 PolarHBondContact O-N 3.4Å; N454-L634 HydrophobicContact CB-CB 4.32Å; N454-D635 WeakPolarHBondContact CB-OD1 3.22Å; N454-D635 PolarHBondContact ND2-OD1 3.24Å
455	Q	96.3	Very high	94.7	Very high	38 Å²	38	43.7 Å²	43.7	18%	0.178	22%	0.222	C	C	.	.	H	α-helix	trans	-69.3	-38.1	174.8	-169.8	58.9	65.4	0	0	112.2	F451 P452 W453 S458 F459 H491	F451-Q455 HydrophobicContact CE1-CB 3.99Å; F451-Q455 HydrophobicContact CE1-CG 3.93Å; F451-Q455 HydrophobicContact CZ-CB 4.29Å; F451-Q455 HydrophobicContact CZ-CG 3.81Å; P452-Q455 HydrophobicContact CG-CB 4.06Å; P452-Q455 PolarHBondContact O-N 2.66Å; W453-Q455 VanDerWaalsContact C-N 3.27Å; W453-Q455 PolarHBondContact O-N 3.06Å; Q455-S458 WeakPolarHBondContact O-CB 3.49Å; Q455-S458 PolarHBondContact O-N 3.4Å; Q455-F459 HydrophobicContact CG-CE1 3.97Å; Q455-F459 HydrophobicContact CG-CE2 4.13Å; Q455-F459 HydrophobicContact CG-CZ 3.74Å; Q455-F459 VanDerWaalsContact O-CG 3.3Å; Q455-F459 WeakPolarHBondContact O-CG 3.5Å; Q455-F459 PolarHBondContact O-N 2.79Å; Q455-H491 PolarHBondContact NE2-O 2.92Å
456	R	97.3	Very high	94.9	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.011	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-43.4	173.9	-62.3	-169.4	-157.6	-153.7	7.2	112.3	M447 F451 P452 W453 S458 F459 A460 I565 I566 F602	M447-R456 HydrophobicContact SD-CG 4.47Å; F451-R456 HydrophobicContact CD1-CG 3.74Å; F451-R456 HydrophobicContact CE1-CG 3.92Å; F451-R456 PolarHBondContact O-NE 2.8Å; F451-R456 VanDerWaalsContact O-NE 3.09Å; F451-R456 PolarHBondContact O-NH2 3.08Å; F451-R456 VanDerWaalsContact O-NH2 3.12Å; P452-R456 PolarHBondContact O-N 3.42Å; W453-R456 HydrophobicContact CE3-CB 4.32Å; W453-R456 HydrophobicContact CE3-CG 4.5Å; W453-R456 PolarHBondContact O-N 2.65Å; R456-S458 VanDerWaalsContact C-N 3.34Å; R456-F459 PolarHBondContact O-N 3.09Å; R456-A460 PolarHBondContact O-N 3.09Å; R456-A460 VanDerWaalsContact O-N 3.13Å; R456-I565 HydrophobicContact CB-CG2 3.66Å; R456-I565 HydrophobicContact CG-CG2 4.06Å; R456-I565 PolarHBondContact NH1-O 3.4Å; R456-I566 PolarHBondContact NH1-O 3.44Å; R456-F602 HydrophobicContact CB-CE1 4.44Å
457	V	97.8	Very high	95.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.3	-36.3	174.3	177.3	0	0	0	0	110.7	W453 N454 A460 K461 F602 L627 L630 K631 L634	W453-V457 WeakPolarHBondContact O-CG2 3.43Å; W453-V457 PolarHBondContact O-N 3.2Å; N454-V457 PolarHBondContact O-N 2.83Å; V457-A460 WeakPolarHBondContact O-CB 3.27Å; V457-A460 PolarHBondContact O-N 3.21Å; V457-K461 WeakPolarHBondContact O-CB 3.44Å; V457-K461 PolarHBondContact O-N 2.94Å; V457-F602 HydrophobicContact CG2-CD1 4.27Å; V457-F602 HydrophobicContact CG2-CD2 4.06Å; V457-F602 HydrophobicContact CG2-CE1 4.17Å; V457-F602 HydrophobicContact CG2-CE2 3.97Å; V457-F602 HydrophobicContact CG2-CG 4.22Å; V457-F602 HydrophobicContact CG2-CZ 4.03Å; V457-L627 HydrophobicContact CG1-CD2 4.35Å; V457-L627 WeakPolarHBondContact CG1-O 3.32Å; V457-L630 HydrophobicContact CG1-CB 4.25Å; V457-L630 HydrophobicContact CG1-CD2 4.11Å; V457-L630 HydrophobicContact CG1-CG 4.12Å; V457-L630 HydrophobicContact CG2-CD2 3.92Å; V457-L630 HydrophobicContact CG2-CG 4.27Å; V457-K631 HydrophobicContact CG1-CB 4.01Å; V457-L634 HydrophobicContact CB-CD1 4.43Å; V457-L634 HydrophobicContact CG2-CD1 3.86Å
458	S	97.9	Very high	95.6	Very high	20 Å²	20	29.1 Å²	29.1	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-43.5	173.5	-155.6	0	0	0	0	112.1	N454 Q455 R456 A460 K461 D462 K631	N454-S458 WeakPolarHBondContact O-CB 3.47Å; N454-S458 PolarHBondContact O-N 3.4Å; Q455-S458 WeakPolarHBondContact O-CB 3.49Å; Q455-S458 PolarHBondContact O-N 3.4Å; R456-S458 VanDerWaalsContact C-N 3.34Å; S458-A460 PolarHBondContact O-N 3.34Å; S458-K461 PolarHBondContact O-N 2.84Å; S458-D462 WeakPolarHBondContact O-CB 3.49Å; S458-D462 PolarHBondContact O-N 2.69Å; S458-K631 WeakPolarHBondContact OG-CE 3.38Å
459	F	98.2	Very high	95.9	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-47.2	174.4	-64.4	-26.5	0	0	0	111.7	L440 I443 M447 F451 Q455 R456 K461 D462 I463 V487 H491 V493	L440-F459 HydrophobicContact CD1-CD2 3.91Å; L440-F459 HydrophobicContact CD1-CE2 4.28Å; L440-F459 HydrophobicContact CD1-CG 4.27Å; I443-F459 HydrophobicContact CG2-CE2 4.14Å; I443-F459 HydrophobicContact CG2-CZ 4.31Å; M447-F459 HydrophobicContact CE-CD2 4.08Å; M447-F459 HydrophobicContact CE-CE2 3.7Å; F451-F459 AromaticContact CE1-CE2 3.87Å; F451-F459 HydrophobicContact CE1-CE2 3.87Å; F451-F459 HydrophobicContact CE1-CZ 4.5Å; F451-F459 AromaticContact CZ-CE2 3.77Å; F451-F459 HydrophobicContact CZ-CE2 3.77Å; F451-F459 HydrophobicContact CZ-CZ 4.02Å; Q455-F459 HydrophobicContact CG-CE1 3.97Å; Q455-F459 HydrophobicContact CG-CE2 4.13Å; Q455-F459 HydrophobicContact CG-CZ 3.74Å; Q455-F459 VanDerWaalsContact O-CG 3.3Å; Q455-F459 WeakPolarHBondContact O-CG 3.5Å; Q455-F459 PolarHBondContact O-N 2.79Å; R456-F459 PolarHBondContact O-N 3.09Å; F459-K461 VanDerWaalsContact C-N 3.34Å; F459-K461 PolarHBondContact O-N 3.43Å; F459-D462 PolarHBondContact O-N 2.73Å; F459-I463 WeakPolarHBondContact O-CD1 3.32Å; F459-I463 VanDerWaalsContact O-CG1 3.28Å; F459-I463 WeakPolarHBondContact O-CG1 3.36Å; F459-I463 PolarHBondContact O-N 3.13Å; F459-I463 VanDerWaalsContact O-N 3.14Å; F459-V487 HydrophobicContact CE1-CG1 3.98Å; F459-V487 HydrophobicContact CZ-CG1 4.46Å; F459-H491 HydrophobicContact CE1-CB 4.12Å; F459-H491 VanDerWaalsContact CE1-O 3.28Å; F459-H491 WeakPolarHBondContact CE1-O 3.49Å; F459-V493 HydrophobicContact CB-CG2 3.84Å; F459-V493 HydrophobicContact CD1-CG2 3.38Å; F459-V493 HydrophobicContact CE1-CG2 4.19Å; F459-V493 HydrophobicContact CG-CG2 3.91Å
460	A	98.3	Very high	96.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-44.8	175.8	0	0	0	0	0	112.1	R456 V457 S458 I463 A464 F558 L562 F602 L627	R456-A460 PolarHBondContact O-N 3.09Å; R456-A460 VanDerWaalsContact O-N 3.13Å; V457-A460 WeakPolarHBondContact O-CB 3.27Å; V457-A460 PolarHBondContact O-N 3.21Å; S458-A460 PolarHBondContact O-N 3.34Å; A460-I463 PolarHBondContact O-N 3.26Å; A460-A464 WeakPolarHBondContact O-CB 3.46Å; A460-A464 PolarHBondContact O-N 3.03Å; A460-F558 HydrophobicContact CB-CZ 4.29Å; A460-F558 WeakPolarHBondContact O-CZ 3.4Å; A460-L562 HydrophobicContact CB-CD2 3.43Å; A460-L562 VanDerWaalsContact CB-CD2 3.43Å; A460-F602 HydrophobicContact CB-CE2 3.93Å; A460-F602 HydrophobicContact CB-CZ 4.14Å; A460-L627 HydrophobicContact CB-CD1 3.99Å; A460-L627 HydrophobicContact CB-CD2 4.05Å
461	K	98.3	Very high	96.6	Very high	36 Å²	36	19.3 Å²	19.3	16%	0.157	10%	0.099	C	C	.	.	H	α-helix	trans	-64.2	-44	-179.8	-174.9	-96.1	159	143.4	0	112.2	V457 S458 F459 A464 A465 L627 E628	V457-K461 WeakPolarHBondContact O-CB 3.44Å; V457-K461 PolarHBondContact O-N 2.94Å; S458-K461 PolarHBondContact O-N 2.84Å; F459-K461 VanDerWaalsContact C-N 3.34Å; F459-K461 PolarHBondContact O-N 3.43Å; K461-A464 PolarHBondContact O-N 3.35Å; K461-A465 WeakPolarHBondContact O-CB 3.48Å; K461-A465 PolarHBondContact O-N 2.83Å; K461-L627 HydrophobicContact CB-CB 3.84Å; K461-L627 HydrophobicContact CG-CB 4.19Å; K461-E628 VanDerWaalsContact CD-OE2 3.31Å; K461-E628 WeakPolarHBondContact CD-OE2 3.21Å; K461-E628 WeakPolarHBondContact CE-OE2 3.38Å; K461-E628 HydrophobicContact CG-CB 4.34Å; K461-E628 IonicContact NZ-OE2 3.94Å; K461-E628 PolarHBondContact NZ-OE2 3.36Å
462	D	98.3	Very high	96.6	Very high	15 Å²	15	20.9 Å²	20.9	8%	0.08	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-45.2	178.1	-83.3	-7.6	0	0	0	111.8	N414 S458 F459 A465 G466 T492 V493	N414-D462 WeakPolarHBondContact CB-O 3.32Å; N414-D462 WeakPolarHBondContact ND2-CB 3.48Å; N414-D462 PolarHBondContact ND2-OD1 3.35Å; S458-D462 WeakPolarHBondContact O-CB 3.49Å; S458-D462 PolarHBondContact O-N 2.69Å; F459-D462 PolarHBondContact O-N 2.73Å; D462-A465 PolarHBondContact O-N 3Å; D462-G466 PolarHBondContact O-N 3.16Å; D462-T492 VanDerWaalsContact OD2-CA 3.25Å; D462-T492 WeakPolarHBondContact OD2-CA 3.14Å; D462-V493 HydrophobicContact CB-CB 3.81Å; D462-V493 HydrophobicContact CB-CG2 4.21Å; D462-V493 PolarHBondContact OD2-N 3.02Å
463	I	98.3	Very high	96.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.3	-44	175.7	-64.4	161.7	0	0	0	110.2	L440 F459 A460 A465 G466 M467 L480 C485 V493 V495 F558 M561	L440-I463 HydrophobicContact CD2-CD1 3.61Å; F459-I463 WeakPolarHBondContact O-CD1 3.32Å; F459-I463 VanDerWaalsContact O-CG1 3.28Å; F459-I463 WeakPolarHBondContact O-CG1 3.36Å; F459-I463 PolarHBondContact O-N 3.13Å; F459-I463 VanDerWaalsContact O-N 3.14Å; A460-I463 PolarHBondContact O-N 3.26Å; I463-A465 PolarHBondContact O-N 2.94Å; I463-G466 PolarHBondContact O-N 3.37Å; I463-M467 HydrophobicContact CG2-CG 4.34Å; I463-M467 WeakPolarHBondContact O-CB 3.31Å; I463-M467 WeakPolarHBondContact O-CG 3.45Å; I463-M467 PolarHBondContact O-N 2.9Å; I463-L480 HydrophobicContact CG2-CD1 4.46Å; I463-C485 HydrophobicContact CD1-CB 4.41Å; I463-V493 HydrophobicContact CD1-CG1 4.07Å; I463-V493 HydrophobicContact CG1-CB 4.16Å; I463-V493 HydrophobicContact CG1-CG1 3.61Å; I463-V495 HydrophobicContact CG2-CG2 4.39Å; I463-F558 HydrophobicContact CB-CD2 4.4Å; I463-F558 HydrophobicContact CB-CE2 3.96Å; I463-F558 HydrophobicContact CG2-CD2 3.69Å; I463-F558 HydrophobicContact CG2-CE2 3.76Å; I463-M561 HydrophobicContact CD1-SD 3.62Å
464	A	98.4	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-42.8	177.6	0	0	0	0	0	112.2	A460 K461 M467 A468 F558 F620 L623 E624 L627	A460-A464 WeakPolarHBondContact O-CB 3.46Å; A460-A464 PolarHBondContact O-N 3.03Å; K461-A464 PolarHBondContact O-N 3.35Å; A464-M467 PolarHBondContact O-N 2.76Å; A464-A468 VanDerWaalsContact O-CB 3.28Å; A464-A468 WeakPolarHBondContact O-CB 3.36Å; A464-A468 PolarHBondContact O-N 3.2Å; A464-F558 HydrophobicContact CB-CZ 4.07Å; A464-F620 HydrophobicContact CB-CD1 4.2Å; A464-L623 HydrophobicContact CB-CB 4.22Å; A464-E624 HydrophobicContact CB-CB 4.36Å; A464-L627 HydrophobicContact CB-CD1 3.97Å
465	A	98.3	Very high	95.2	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-45	175.3	0	0	0	0	0	112.2	K461 D462 I463 M467 A468 Y469 E624	K461-A465 WeakPolarHBondContact O-CB 3.48Å; K461-A465 PolarHBondContact O-N 2.83Å; D462-A465 PolarHBondContact O-N 3Å; I463-A465 PolarHBondContact O-N 2.94Å; A465-M467 VanDerWaalsContact C-N 3.35Å; A465-M467 PolarHBondContact O-N 3.35Å; A465-A468 PolarHBondContact O-N 2.67Å; A465-Y469 PolarHBondContact O-N 3.3Å; A465-E624 VanDerWaalsContact CB-CD 3.5Å; A465-E624 HydrophobicContact CB-CG 4.03Å; A465-E624 WeakPolarHBondContact CB-OE1 3.45Å
466	G	97.2	Very high	94.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.3	-43.2	175.1	0	0	0	0	0	112.9	D462 I463 Y469 L470	D462-G466 PolarHBondContact O-N 3.16Å; I463-G466 PolarHBondContact O-N 3.37Å; G466-Y469 PolarHBondContact O-N 3.22Å; G466-L470 WeakPolarHBondContact O-CG 3.46Å; G466-L470 PolarHBondContact O-N 3.36Å; G466-L470 VanDerWaalsContact O-N 3.15Å
467	M	97.7	Very high	94.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.5	-36.8	177.3	-68	-58.4	-57.3	0	0	113.1	I463 A464 A465 Y469 L470 H471 H477 L480 V495 D554 F620	I463-M467 HydrophobicContact CG2-CG 4.34Å; I463-M467 WeakPolarHBondContact O-CB 3.31Å; I463-M467 WeakPolarHBondContact O-CG 3.45Å; I463-M467 PolarHBondContact O-N 2.9Å; A464-M467 PolarHBondContact O-N 2.76Å; A465-M467 VanDerWaalsContact C-N 3.35Å; A465-M467 PolarHBondContact O-N 3.35Å; M467-Y469 VanDerWaalsContact C-N 3.29Å; M467-Y469 PolarHBondContact O-N 3.17Å; M467-L470 HydrophobicContact CE-CD1 4.42Å; M467-L470 PolarHBondContact O-N 3.17Å; M467-L470 HydrophobicContact SD-CD1 3.71Å; M467-H471 WeakPolarHBondContact O-CB 3.31Å; M467-H471 PolarHBondContact O-CD2 3Å; M467-H471 PolarHBondContact O-N 2.76Å; M467-H477 HydrophobicContact CE-CB 3.67Å; M467-H477 HydrophobicContact SD-CB 4.28Å; M467-L480 HydrophobicContact CE-CD2 4.05Å; M467-L480 HydrophobicContact CG-CD1 4.42Å; M467-L480 HydrophobicContact CG-CD2 3.89Å; M467-L480 HydrophobicContact SD-CD1 3.91Å; M467-L480 HydrophobicContact SD-CD2 3.9Å; M467-L480 HydrophobicContact SD-CG 4.42Å; M467-V495 HydrophobicContact CG-CG2 4.44Å; M467-V495 HydrophobicContact SD-CG1 4.08Å; M467-V495 HydrophobicContact SD-CG2 4.36Å; M467-D554 HydrophobicContact CE-CB 3.59Å; M467-D554 VanDerWaalsContact CE-OD2 3.32Å; M467-D554 WeakPolarHBondContact CE-OD2 3.28Å; M467-F620 HydrophobicContact CB-CB 4.28Å; M467-F620 HydrophobicContact CB-CD1 3.6Å; M467-F620 HydrophobicContact CB-CD2 3.6Å; M467-F620 HydrophobicContact CB-CE1 3.64Å; M467-F620 HydrophobicContact CB-CE2 3.66Å; M467-F620 HydrophobicContact CB-CG 3.56Å; M467-F620 HydrophobicContact CB-CZ 3.67Å; M467-F620 HydrophobicContact CE-CE2 3.98Å; M467-F620 HydrophobicContact CE-CZ 4.26Å; M467-F620 HydrophobicContact CG-CD1 4.39Å; M467-F620 HydrophobicContact CG-CE1 3.95Å; M467-F620 HydrophobicContact CG-CE2 4.19Å; M467-F620 HydrophobicContact CG-CZ 3.83Å
468	A	97.6	Very high	94.1	Very high	15 Å²	15	18.4 Å²	18.4	12%	0.124	10%	0.1	C	C	.	.	H	α-helix	trans	-58.5	-43.4	172.8	0	0	0	0	0	111	A464 A465 H471 S472 F620	A464-A468 VanDerWaalsContact O-CB 3.28Å; A464-A468 WeakPolarHBondContact O-CB 3.36Å; A464-A468 PolarHBondContact O-N 3.2Å; A465-A468 PolarHBondContact O-N 2.67Å; A468-H471 PolarHBondContact O-N 2.87Å; A468-S472 WeakPolarHBondContact O-CB 3.27Å; A468-S472 PolarHBondContact O-N 3.02Å; A468-F620 HydrophobicContact CB-CB 3.83Å
469	Y	95.9	Very high	93.7	Very high	43 Å²	43	18.8 Å²	18.8	17%	0.169	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-47.7	174.1	174.6	-100.5	0	0	0	112.3	L410 D411 H412 V415 A465 G466 M467 H471 S472 M473	L410-Y469 HydrophobicContact CB-CE1 4.18Å; L410-Y469 HydrophobicContact CD2-CE1 3.78Å; D411-Y469 PolarHBondContact N-OH 2.84Å; D411-Y469 PolarHBondContact O-OH 2.83Å; H412-Y469 HydrophobicContact CB-CD1 3.51Å; H412-Y469 HydrophobicContact CB-CD2 4.07Å; H412-Y469 HydrophobicContact CB-CE1 3.8Å; H412-Y469 HydrophobicContact CB-CE2 4.34Å; H412-Y469 HydrophobicContact CB-CG 3.64Å; H412-Y469 AromaticContact CD2-CD2 3.86Å; H412-Y469 AromaticContact CD2-CG 3.76Å; H412-Y469 AromaticContact CG-CG 3.72Å; V415-Y469 HydrophobicContact CG2-CD1 4.08Å; A465-Y469 PolarHBondContact O-N 3.3Å; G466-Y469 PolarHBondContact O-N 3.22Å; M467-Y469 VanDerWaalsContact C-N 3.29Å; M467-Y469 PolarHBondContact O-N 3.17Å; Y469-H471 PolarHBondContact O-N 3.5Å; Y469-S472 WeakPolarHBondContact O-CB 3.33Å; Y469-S472 PolarHBondContact O-N 3.12Å; Y469-S472 PolarHBondContact O-OG 3.06Å; Y469-M473 HydrophobicContact CE1-CG 4.24Å; Y469-M473 HydrophobicContact CE2-CG 4.15Å; Y469-M473 WeakPolarHBondContact O-CG 3.3Å; Y469-M473 PolarHBondContact O-N 3.13Å; Y469-M473 VanDerWaalsContact O-N 3.07Å
470	L	92	Very high	93.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.6	-45.1	177.6	-69.3	166.2	0	0	0	112.3	L410 V415 G466 M467 S472 M473 N474 I475 V495 F498	L410-L470 HydrophobicContact CD1-CD2 3.65Å; L410-L470 HydrophobicContact CD2-CD2 3.88Å; L410-L470 HydrophobicContact CG-CD2 4.42Å; V415-L470 HydrophobicContact CG2-CG 4.41Å; G466-L470 WeakPolarHBondContact O-CG 3.46Å; G466-L470 PolarHBondContact O-N 3.36Å; G466-L470 VanDerWaalsContact O-N 3.15Å; M467-L470 HydrophobicContact CE-CD1 4.42Å; M467-L470 PolarHBondContact O-N 3.17Å; M467-L470 HydrophobicContact SD-CD1 3.71Å; L470-S472 VanDerWaalsContact C-N 3.32Å; L470-S472 PolarHBondContact O-N 2.75Å; L470-M473 CarbonylContact O-C 3.57Å; L470-M473 WeakPolarHBondContact O-CA 3.46Å; L470-M473 PolarHBondContact O-N 3.24Å; L470-M473 VanDerWaalsContact O-N 3.1Å; L470-N474 PolarHBondContact O-N 2.66Å; L470-I475 CarbonylContact C-O 3.54Å; L470-I475 HydrophobicContact CB-CB 4.5Å; L470-I475 HydrophobicContact CD2-CD1 4.47Å; L470-I475 HydrophobicContact CD2-CG2 4.4Å; L470-I475 WeakPolarHBondContact O-CB 3.24Å; L470-I475 PolarHBondContact O-N 2.77Å; L470-V495 HydrophobicContact CD1-CG1 4.31Å; L470-F498 HydrophobicContact CD1-CE1 3.74Å; L470-F498 HydrophobicContact CD1-CZ 4.49Å; L470-F498 HydrophobicContact CD2-CD1 4.4Å; L470-F498 HydrophobicContact CD2-CE1 3.8Å; L470-F498 HydrophobicContact CD2-CZ 4.44Å; L470-F498 HydrophobicContact CG-CE1 4.44Å
471	H	92.9	Very high	93.4	Very high	28 Å²	28	19 Å²	19	13%	0.13	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-35.7	177.7	-74.6	-159.9	0	0	0	111.8	M467 A468 Y469 M473 N474 I475 E551 D554 F620	M467-H471 WeakPolarHBondContact O-CB 3.31Å; M467-H471 PolarHBondContact O-CD2 3Å; M467-H471 PolarHBondContact O-N 2.76Å; A468-H471 PolarHBondContact O-N 2.87Å; Y469-H471 PolarHBondContact O-N 3.5Å; H471-M473 PolarHBondContact O-N 3.15Å; H471-N474 PolarHBondContact O-N 2.92Å; H471-I475 PolarHBondContact CD2-O 3.4Å; H471-I475 VanDerWaalsContact CD2-O 3.26Å; H471-E551 PolarHBondContact CE1-O 3.36Å; H471-D554 IonicContact CD2-OD2 3.45Å; H471-D554 IonicContact CE1-OD2 3.08Å; H471-D554 IonicContact NE2-OD2 3.45Å; H471-D554 PolarHBondContact NE2-OD2 3.06Å; H471-F620 AromaticContact CE1-CD2 3.4Å; H471-F620 VanDerWaalsContact CE1-CD2 3.4Å; H471-F620 WeakPolarHBondContact CE1-CD2 3.44Å; H471-F620 AromaticContact CE1-CE2 3.53Å; H471-F620 AromaticContact ND1-CD2 3.57Å; H471-F620 AromaticContact NE2-CE2 3.96Å
472	S	91.9	Very high	93.2	Very high	80 Å²	80	17.2 Å²	17.2	56%	0.559	9%	0.094	S	C	*	.	H	α-helix	trans	-64.3	-28.6	173.1	84.6	0	0	0	0	113.1	A468 Y469 L470 N474	A468-S472 WeakPolarHBondContact O-CB 3.27Å; A468-S472 PolarHBondContact O-N 3.02Å; Y469-S472 WeakPolarHBondContact O-CB 3.33Å; Y469-S472 PolarHBondContact O-N 3.12Å; Y469-S472 PolarHBondContact O-OG 3.06Å; L470-S472 VanDerWaalsContact C-N 3.32Å; L470-S472 PolarHBondContact O-N 2.75Å; S472-N474 PolarHBondContact O-N 2.84Å
473	M	86.4	Confident	92.9	Very high	74 Å²	74	20.7 Å²	20.7	37%	0.365	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	13.9	173.9	-66.8	-67.4	-72.4	0	0	112.8	C409 Y469 L470 H471 I475	C409-M473 WeakPolarHBondContact O-CE 3.49Å; Y469-M473 HydrophobicContact CE1-CG 4.24Å; Y469-M473 HydrophobicContact CE2-CG 4.15Å; Y469-M473 WeakPolarHBondContact O-CG 3.3Å; Y469-M473 PolarHBondContact O-N 3.13Å; Y469-M473 VanDerWaalsContact O-N 3.07Å; L470-M473 CarbonylContact O-C 3.57Å; L470-M473 WeakPolarHBondContact O-CA 3.46Å; L470-M473 PolarHBondContact O-N 3.24Å; L470-M473 VanDerWaalsContact O-N 3.1Å; H471-M473 PolarHBondContact O-N 3.15Å; M473-I475 VanDerWaalsContact C-N 3.29Å; M473-I475 HydrophobicContact CB-CD1 3.97Å; M473-I475 PolarHBondContact O-N 2.96Å
474	N	84.8	Confident	92.7	Very high	48 Å²	48	21.8 Å²	21.8	26%	0.257	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	32.5	-177	-73.6	83.8	0	0	0	114	L470 H471 S472 L503 M504 D506 R526	L470-N474 PolarHBondContact O-N 2.66Å; H471-N474 PolarHBondContact O-N 2.92Å; S472-N474 PolarHBondContact O-N 2.84Å; N474-L503 WeakPolarHBondContact O-CA 3.16Å; N474-M504 HydrophobicContact CB-CB 4.27Å; N474-M504 HydrophobicContact CB-CE 4.38Å; N474-M504 PolarHBondContact O-N 2.78Å; N474-D506 PolarHBondContact ND2-OD1 2.84Å; N474-R526 PolarHBondContact ND2-NH2 3.2Å
475	I	85.6	Confident	92.6	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.2	179.3	-64.9	156.1	0	0	0	110.3	V406 L410 L470 H471 M473 A501 R502 L503	V406-I475 HydrophobicContact CG1-CD1 3.81Å; L410-I475 HydrophobicContact CD2-CD1 3.72Å; L470-I475 CarbonylContact C-O 3.54Å; L470-I475 HydrophobicContact CB-CB 4.5Å; L470-I475 HydrophobicContact CD2-CD1 4.47Å; L470-I475 HydrophobicContact CD2-CG2 4.4Å; L470-I475 WeakPolarHBondContact O-CB 3.24Å; L470-I475 PolarHBondContact O-N 2.77Å; H471-I475 PolarHBondContact CD2-O 3.4Å; H471-I475 VanDerWaalsContact CD2-O 3.26Å; M473-I475 VanDerWaalsContact C-N 3.29Å; M473-I475 HydrophobicContact CB-CD1 3.97Å; M473-I475 PolarHBondContact O-N 2.96Å; I475-A501 HydrophobicContact CG2-CB 4.03Å; I475-R502 WeakPolarHBondContact CA-O 3.21Å; I475-L503 HydrophobicContact CD1-CD2 4.33Å; I475-L503 HydrophobicContact CG1-CD2 3.61Å; I475-L503 HydrophobicContact CG1-CG 4.49Å
476	I	89.3	Confident	92.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.1	167.2	-45.7	176.6	0	0	0	107.9	R478 A501 R502 M504 Y530 E551 V553 D554	I476-R478 HydrophobicContact CB-CG 4.09Å; I476-R478 HydrophobicContact CG2-CG 3.57Å; I476-A501 CarbonylContact O-C 3.52Å; I476-A501 VanDerWaalsContact O-CA 3.26Å; I476-A501 WeakPolarHBondContact O-CA 3.31Å; I476-R502 PolarHBondContact N-O 3.08Å; I476-R502 PolarHBondContact O-N 3.45Å; I476-M504 HydrophobicContact CD1-CG 3.73Å; I476-M504 HydrophobicContact CD1-SD 3.98Å; I476-M504 HydrophobicContact CG1-CE 4.4Å; I476-M504 HydrophobicContact CG1-CG 3.67Å; I476-M504 HydrophobicContact CG1-SD 3.92Å; I476-Y530 HydrophobicContact CD1-CE2 4.17Å; I476-E551 HydrophobicContact CG1-CB 4.17Å; I476-V553 HydrophobicContact CG2-CG2 3.81Å; I476-D554 WeakPolarHBondContact CG2-OD2 3.2Å
477	H	91.4	Very high	92.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.			trans	-76.4	-46.5	-178.1	-161.8	-76.6	0	0	0	112.2	M467 D479 L480 V495 A496 D497 F498 D554	M467-H477 HydrophobicContact CE-CB 3.67Å; M467-H477 HydrophobicContact SD-CB 4.28Å; H477-D479 PolarHBondContact CE1-O 3.11Å; H477-D479 PolarHBondContact ND1-O 2.89Å; H477-D479 PolarHBondContact O-N 2.9Å; H477-L480 HydrophobicContact CB-CB 4.5Å; H477-L480 PolarHBondContact ND1-N 3.29Å; H477-V495 WeakPolarHBondContact NE2-CG1 3.48Å; H477-A496 PolarHBondContact CE1-O 2.86Å; H477-A496 PolarHBondContact NE2-O 3.03Å; H477-D497 PolarHBondContact CE1-O 2.77Å; H477-D497 VanDerWaalsContact CE1-O 3.28Å; H477-F498 AromaticContact CD2-CD1 3.83Å; H477-F498 AromaticContact CD2-CE1 3.65Å; H477-F498 AromaticContact NE2-CD1 3.82Å; H477-F498 AromaticContact NE2-CE1 3.68Å; H477-D554 PolarHBondContact N-OD1 3.01Å; H477-D554 PolarHBondContact N-OD2 3.21Å
478	R	86.5	Confident	92.3	Very high	21 Å²	21	26.5 Å²	26.5	8%	0.079	14%	0.135	C	C	.	.	S	Bend	trans	64.5	-15.4	-179.8	-51.6	-168	-64.9	155.9	6.2	117	I476 L500 T531 V533 M543 Y549 D554	I476-R478 HydrophobicContact CB-CG 4.09Å; I476-R478 HydrophobicContact CG2-CG 3.57Å; R478-L500 VanDerWaalsContact CZ-O 3.26Å; R478-L500 PolarHBondContact NE-O 2.85Å; R478-L500 PolarHBondContact NH2-O 2.91Å; R478-T531 PolarHBondContact NH1-O 3.39Å; R478-T531 PolarHBondContact NH1-OG1 2.92Å; R478-V533 HydrophobicContact CB-CG2 4.27Å; R478-V533 VanDerWaalsContact CZ-CG2 3.42Å; R478-M543 HydrophobicContact CB-CE 4.4Å; R478-M543 HydrophobicContact CG-CE 4.48Å; R478-Y549 VanDerWaalsContact CD-OH 3.22Å; R478-Y549 WeakPolarHBondContact CD-OH 3.36Å; R478-Y549 HydrophobicContact CG-CE2 4.43Å; R478-Y549 PolarHBondContact NH1-OH 3.33Å; R478-D554 PolarHBondContact N-OD1 3.4Å
479	D	89.9	Confident	92	Very high	28 Å²	28	32.3 Å²	32.3	15%	0.15	16%	0.16	C	C	.	.			trans	-130.7	49.3	172.2	-169	37	0	0	0	112.1	H477 N481 N484 L500 G534 N535	H477-D479 PolarHBondContact CE1-O 3.11Å; H477-D479 PolarHBondContact ND1-O 2.89Å; H477-D479 PolarHBondContact O-N 2.9Å; D479-N481 PolarHBondContact O-N 2.92Å; D479-N481 PolarHBondContact O-ND2 3.39Å; D479-N481 PolarHBondContact OD1-ND2 3.21Å; D479-N481 VanDerWaalsContact OD1-ND2 3.12Å; D479-N484 PolarHBondContact O-ND2 2.81Å; D479-N484 PolarHBondContact OD2-ND2 2.93Å; D479-L500 HydrophobicContact CB-CB 4.24Å; D479-L500 HydrophobicContact CB-CD1 3.79Å; D479-G534 WeakPolarHBondContact OD1-CA 3.4Å; D479-N535 PolarHBondContact OD1-N 3.44Å
480	L	95.3	Very high	91.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.			trans	-78.3	118.9	175.7	-179.4	64.8	0	0	0	109.1	I463 M467 H477 V495 S557 F558 M561 F620	I463-L480 HydrophobicContact CG2-CD1 4.46Å; M467-L480 HydrophobicContact CE-CD2 4.05Å; M467-L480 HydrophobicContact CG-CD1 4.42Å; M467-L480 HydrophobicContact CG-CD2 3.89Å; M467-L480 HydrophobicContact SD-CD1 3.91Å; M467-L480 HydrophobicContact SD-CD2 3.9Å; M467-L480 HydrophobicContact SD-CG 4.42Å; H477-L480 HydrophobicContact CB-CB 4.5Å; H477-L480 PolarHBondContact ND1-N 3.29Å; L480-V495 HydrophobicContact CD1-CG1 4.2Å; L480-S557 WeakPolarHBondContact O-CB 3.15Å; L480-F558 HydrophobicContact CD2-CB 3.98Å; L480-M561 HydrophobicContact CD1-CE 3.84Å; L480-M561 HydrophobicContact CD2-CE 4.39Å; L480-M561 HydrophobicContact CG-CE 3.7Å; L480-F620 HydrophobicContact CD2-CZ 4.14Å
481	N	94.4	Very high	91.9	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.2	C	C	.	.			trans	-155.1	167.6	-179.4	63.1	59.7	0	0	0	110.1	D479 H483 N484 C485 W538 M561	D479-N481 PolarHBondContact O-N 2.92Å; D479-N481 PolarHBondContact O-ND2 3.39Å; D479-N481 PolarHBondContact OD1-ND2 3.21Å; D479-N481 VanDerWaalsContact OD1-ND2 3.12Å; N481-H483 PolarHBondContact O-N 2.94Å; N481-H483 WeakPolarHBondContact OD1-CA 3.42Å; N481-H483 VanDerWaalsContact OD1-CB 3.3Å; N481-H483 WeakPolarHBondContact OD1-CB 3.17Å; N481-H483 PolarHBondContact OD1-N 2.9Å; N481-N484 PolarHBondContact ND2-ND2 3.03Å; N481-N484 PolarHBondContact O-N 3.42Å; N481-N484 VanDerWaalsContact O-N 3.1Å; N481-N484 PolarHBondContact OD1-N 3.36Å; N481-C485 PolarHBondContact O-N 3.1Å; N481-W538 HydrophobicContact CB-CB 4.39Å; N481-W538 HydrophobicContact CB-CD2 3.46Å; N481-W538 VanDerWaalsContact CB-CD2 3.46Å; N481-W538 HydrophobicContact CB-CE3 3.72Å; N481-W538 HydrophobicContact CB-CG 3.78Å; N481-W538 HydrophobicContact CB-CH2 4.44Å; N481-W538 HydrophobicContact CB-CZ2 4.2Å; N481-W538 HydrophobicContact CB-CZ3 4.22Å; N481-M561 VanDerWaalsContact C-CE 3.45Å
482	S	95.5	Very high	92	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.3	-176.6	55.3	0	0	0	0	115.1	L440 R441 W538 E564	L440-S482 PolarHBondContact N-O 2.83Å; R441-S482 VanDerWaalsContact CD-OG 3.22Å; R441-S482 WeakPolarHBondContact CD-OG 3.22Å; R441-S482 PolarHBondContact N-O 2.71Å; S482-W538 WeakPolarHBondContact OG-CZ2 3.45Å; S482-E564 WeakPolarHBondContact CB-OE2 3.39Å; S482-E564 VanDerWaalsContact OG-CD 3.23Å; S482-E564 PolarHBondContact OG-OE1 3.03Å; S482-E564 PolarHBondContact OG-OE2 3.36Å
483	H	92.3	Very high	92.3	Very high	87 Å²	87	36.7 Å²	36.7	40%	0.403	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-31.6	169.4	-62	-95.6	0	0	0	111.9	T439 N481 C485 W538	T439-H483 VanDerWaalsContact CG2-O 3.28Å; T439-H483 WeakPolarHBondContact CG2-O 3.41Å; N481-H483 PolarHBondContact O-N 2.94Å; N481-H483 WeakPolarHBondContact OD1-CA 3.42Å; N481-H483 VanDerWaalsContact OD1-CB 3.3Å; N481-H483 WeakPolarHBondContact OD1-CB 3.17Å; N481-H483 PolarHBondContact OD1-N 2.9Å; H483-C485 VanDerWaalsContact C-N 3.33Å; H483-W538 AromaticContact CD2-CH2 3.96Å
484	N	94.1	Very high	92.7	Very high	23 Å²	23	33.1 Å²	33.1	12%	0.123	16%	0.162	C	C	.	.	S	Bend	trans	-87.1	2	179.9	-69.9	-11	0	0	0	113.4	D479 N481 A496	D479-N484 PolarHBondContact O-ND2 2.81Å; D479-N484 PolarHBondContact OD2-ND2 2.93Å; N481-N484 PolarHBondContact ND2-ND2 3.03Å; N481-N484 PolarHBondContact O-N 3.42Å; N481-N484 VanDerWaalsContact O-N 3.1Å; N481-N484 PolarHBondContact OD1-N 3.36Å; N484-A496 WeakPolarHBondContact O-CA 3.37Å; N484-A496 WeakPolarHBondContact O-CB 3.44Å; N484-A496 PolarHBondContact O-N 3.32Å
485	C	96.5	Very high	93.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.6	166.9	-66.1	0	0	0	0	110	T439 L440 I463 N481 H483 V493 V494	T439-C485 CarbonylContact C-O 3.59Å; T439-C485 WeakPolarHBondContact CA-O 3.47Å; L440-C485 HydrophobicContact CB-CB 3.91Å; L440-C485 HydrophobicContact CD2-CB 4.09Å; L440-C485 PolarHBondContact N-O 2.84Å; I463-C485 HydrophobicContact CD1-CB 4.41Å; N481-C485 PolarHBondContact O-N 3.1Å; H483-C485 VanDerWaalsContact C-N 3.33Å; C485-V493 HydrophobicContact CB-CG1 3.9Å; C485-V494 WeakPolarHBondContact CA-O 3.49Å
486	L	95.8	Very high	93.5	Very high	40 Å²	40	31 Å²	31	21%	0.209	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.7	179.3	-53.5	177.3	0	0	0	110.4	L416 I435 G438 T439 V493 V494 A496	L416-L486 HydrophobicContact CD1-CD1 4.4Å; I435-L486 HydrophobicContact CB-CB 3.99Å; I435-L486 HydrophobicContact CB-CD1 4.14Å; I435-L486 HydrophobicContact CG1-CB 4.23Å; I435-L486 HydrophobicContact CG1-CD1 4.05Å; I435-L486 HydrophobicContact CG2-CB 3.66Å; G438-L486 WeakPolarHBondContact O-CA 3.26Å; T439-L486 HydrophobicContact CG2-CD2 3.95Å; L486-V493 WeakPolarHBondContact O-CA 3.16Å; L486-V494 HydrophobicContact CB-CG2 3.87Å; L486-V494 PolarHBondContact N-O 3.43Å; L486-V494 PolarHBondContact O-N 2.8Å; L486-A496 HydrophobicContact CD1-CB 3.96Å; L486-A496 HydrophobicContact CG-CB 4.1Å
487	V	96	Very high	93.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.7	-175.4	-172.6	0	0	0	0	111.3	I435 G437 G438 L440 I443 F459 T492 V493	I435-V487 VanDerWaalsContact CG2-C 3.43Å; I435-V487 WeakPolarHBondContact CG2-O 3.3Å; G437-V487 WeakPolarHBondContact CA-O 3.47Å; G437-V487 PolarHBondContact N-O 2.72Å; G438-V487 PolarHBondContact O-N 3.21Å; L440-V487 HydrophobicContact CB-CG2 4.22Å; L440-V487 HydrophobicContact CD1-CG2 4.22Å; I443-V487 HydrophobicContact CD1-CB 3.54Å; I443-V487 HydrophobicContact CD1-CG1 3.69Å; I443-V487 HydrophobicContact CD1-CG2 3.74Å; F459-V487 HydrophobicContact CE1-CG1 3.98Å; F459-V487 HydrophobicContact CZ-CG1 4.46Å; V487-T492 WeakPolarHBondContact CA-O 3.38Å; V487-V493 HydrophobicContact CG2-CG1 4.37Å; V487-V493 HydrophobicContact CG2-CG2 4.12Å
488	R	94.6	Very high	92.4	Very high	61 Å²	61	33.5 Å²	33.5	23%	0.23	17%	0.165	C	C	.	.			trans	-78.9	171.2	178.9	-65.8	-164.6	-162.2	-97.8	-0.4	112.2	E433 I435 D490 H491 T492	E433-R488 VanDerWaalsContact CD-NH1 3.32Å; E433-R488 VanDerWaalsContact CD-NH2 3.32Å; E433-R488 IonicContact OE1-CZ 2.66Å; E433-R488 IonicContact OE1-NH1 3.36Å; E433-R488 IonicContact OE1-NH2 3.49Å; E433-R488 PolarHBondContact OE1-NH2 3.12Å; E433-R488 IonicContact OE2-CZ 2.67Å; E433-R488 IonicContact OE2-NH1 3.85Å; E433-R488 PolarHBondContact OE2-NH1 3.01Å; E433-R488 IonicContact OE2-NH2 3.86Å; E433-R488 PolarHBondContact OE2-NH2 3.25Å; I435-R488 HydrophobicContact CD1-CG 4.06Å; I435-R488 HydrophobicContact CG2-CG 4.23Å; R488-D490 WeakPolarHBondContact CB-OD1 3.39Å; R488-D490 PolarHBondContact O-N 3.34Å; R488-H491 PolarHBondContact O-N 2.86Å; R488-H491 VanDerWaalsContact O-N 3.15Å; R488-T492 VanDerWaalsContact CD-OG1 3.23Å; R488-T492 WeakPolarHBondContact CD-OG1 3.37Å; R488-T492 PolarHBondContact N-O 3.28Å
489	E	90.9	Very high	91.4	Very high	136 Å²	136	32.9 Å²	32.9	64%	0.636	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.2	174.8	-66.5	-171.3	123.9	0	0	113.1	K436 H491	K436-E489 HydrophobicContact CB-CG 4.22Å; K436-E489 HydrophobicContact CD-CG 3.91Å; K436-E489 WeakPolarHBondContact CD-OE1 3.41Å; K436-E489 WeakPolarHBondContact CE-OE1 3.46Å; K436-E489 IonicContact NZ-OE1 3.31Å; K436-E489 PolarHBondContact NZ-OE1 3.42Å; E489-H491 PolarHBondContact O-N 3.04Å
490	D	92.4	Very high	90.3	Very high	105 Å²	105	33 Å²	33	56%	0.561	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	12	175.3	64.6	2.8	0	0	0	113.3	R488 T492	R488-D490 WeakPolarHBondContact CB-OD1 3.39Å; R488-D490 PolarHBondContact O-N 3.34Å; D490-T492 PolarHBondContact O-N 3.49Å; D490-T492 WeakPolarHBondContact OD1-CB 3.45Å; D490-T492 WeakPolarHBondContact OD1-CG2 3.42Å; D490-T492 PolarHBondContact OD1-N 3.11Å; D490-T492 PolarHBondContact OD1-OG1 3.28Å
491	H	92.5	Very high	89.4	Confident	97 Å²	97	33.6 Å²	33.6	45%	0.449	17%	0.17	S	C	.	.	S	Bend	trans	60.8	16.7	-175.8	-52.5	-60.1	0	0	0	115.6	Q455 F459 R488 E489	Q455-H491 PolarHBondContact NE2-O 2.92Å; F459-H491 HydrophobicContact CE1-CB 4.12Å; F459-H491 VanDerWaalsContact CE1-O 3.28Å; F459-H491 WeakPolarHBondContact CE1-O 3.49Å; R488-H491 PolarHBondContact O-N 2.86Å; R488-H491 VanDerWaalsContact O-N 3.15Å; E489-H491 PolarHBondContact O-N 3.04Å
492	T	95.7	Very high	88.4	Confident	41 Å²	41	38 Å²	38	25%	0.252	19%	0.187	S	C	.	.			trans	-77	144	168	61.2	0	0	0	0	111.5	D462 V487 R488 D490	D462-T492 VanDerWaalsContact OD2-CA 3.25Å; D462-T492 WeakPolarHBondContact OD2-CA 3.14Å; V487-T492 WeakPolarHBondContact CA-O 3.38Å; R488-T492 VanDerWaalsContact CD-OG1 3.23Å; R488-T492 WeakPolarHBondContact CD-OG1 3.37Å; R488-T492 PolarHBondContact N-O 3.28Å; D490-T492 PolarHBondContact O-N 3.49Å; D490-T492 WeakPolarHBondContact OD1-CB 3.45Å; D490-T492 WeakPolarHBondContact OD1-CG2 3.42Å; D490-T492 PolarHBondContact OD1-N 3.11Å; D490-T492 PolarHBondContact OD1-OG1 3.28Å
493	V	97.6	Very high	87.3	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.5	179.5	-167.9	0	0	0	0	111.1	N414 F459 D462 I463 C485 L486 V487	N414-V493 WeakPolarHBondContact CA-O 3.26Å; N414-V493 WeakPolarHBondContact CB-O 3.35Å; N414-V493 PolarHBondContact ND2-O 2.62Å; F459-V493 HydrophobicContact CB-CG2 3.84Å; F459-V493 HydrophobicContact CD1-CG2 3.38Å; F459-V493 HydrophobicContact CE1-CG2 4.19Å; F459-V493 HydrophobicContact CG-CG2 3.91Å; D462-V493 HydrophobicContact CB-CB 3.81Å; D462-V493 HydrophobicContact CB-CG2 4.21Å; D462-V493 PolarHBondContact OD2-N 3.02Å; I463-V493 HydrophobicContact CD1-CG1 4.07Å; I463-V493 HydrophobicContact CG1-CB 4.16Å; I463-V493 HydrophobicContact CG1-CG1 3.61Å; C485-V493 HydrophobicContact CB-CG1 3.9Å; L486-V493 WeakPolarHBondContact O-CA 3.16Å; V487-V493 HydrophobicContact CG2-CG1 4.37Å; V487-V493 HydrophobicContact CG2-CG2 4.12Å
494	V	96.7	Very high	86.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.4	171.5	-53.3	0	0	0	0	111.6	P413 N414 L416 I435 C485 L486	P413-V494 WeakPolarHBondContact O-CG1 3.44Å; N414-V494 WeakPolarHBondContact O-CA 3.07Å; L416-V494 HydrophobicContact CD1-CG2 4.35Å; I435-V494 HydrophobicContact CD1-CG2 3.93Å; I435-V494 HydrophobicContact CG1-CG2 3.88Å; C485-V494 WeakPolarHBondContact CA-O 3.49Å; L486-V494 HydrophobicContact CB-CG2 3.87Å; L486-V494 PolarHBondContact N-O 3.43Å; L486-V494 PolarHBondContact O-N 2.8Å
495	V	96.1	Very high	84.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	134.9	172.4	-176.6	0	0	0	0	109.8	N414 L416 I463 M467 L470 H477 L480 F498	N414-V495 PolarHBondContact O-N 3.17Å; L416-V495 WeakPolarHBondContact CB-O 3.44Å; L416-V495 PolarHBondContact N-O 2.96Å; I463-V495 HydrophobicContact CG2-CG2 4.39Å; M467-V495 HydrophobicContact CG-CG2 4.44Å; M467-V495 HydrophobicContact SD-CG1 4.08Å; M467-V495 HydrophobicContact SD-CG2 4.36Å; L470-V495 HydrophobicContact CD1-CG1 4.31Å; H477-V495 WeakPolarHBondContact NE2-CG1 3.48Å; L480-V495 HydrophobicContact CD1-CG1 4.2Å; V495-F498 HydrophobicContact CG1-CE1 4.33Å; V495-F498 HydrophobicContact CG1-CZ 4.4Å
496	A	90.7	Very high	82.5	Confident	7 Å²	7	44.9 Å²	44.9	6%	0.058	23%	0.228	C	C	.	.			trans	-136.8	173.9	-175.3	0	0	0	0	0	112.4	L416 H477 N484 L486	L416-A496 HydrophobicContact CB-CB 4.1Å; L416-A496 HydrophobicContact CD2-CB 3.9Å; H477-A496 PolarHBondContact CE1-O 2.86Å; H477-A496 PolarHBondContact NE2-O 3.03Å; N484-A496 WeakPolarHBondContact O-CA 3.37Å; N484-A496 WeakPolarHBondContact O-CB 3.44Å; N484-A496 PolarHBondContact O-N 3.32Å; L486-A496 HydrophobicContact CD1-CB 3.96Å; L486-A496 HydrophobicContact CG-CB 4.1Å
497	D	81.1	Confident	80.1	Confident	51 Å²	51	47.9 Å²	47.9	27%	0.273	25%	0.245	S	C	.	.			trans	56.6	84.1	-176.5	-150.3	-20.6	0	0	0	116.1	K387 H477 G499	K387-D497 VanDerWaalsContact NZ-CG 3.32Å; K387-D497 IonicContact NZ-OD1 3.24Å; K387-D497 PolarHBondContact NZ-OD1 3.41Å; K387-D497 IonicContact NZ-OD2 3.53Å; K387-D497 PolarHBondContact NZ-OD2 2.81Å; H477-D497 PolarHBondContact CE1-O 2.77Å; H477-D497 VanDerWaalsContact CE1-O 3.28Å; D497-G499 VanDerWaalsContact C-N 3.28Å; D497-G499 PolarHBondContact O-N 2.8Å; D497-G499 PolarHBondContact OD1-N 3.41Å; D497-G499 VanDerWaalsContact OD1-N 3.12Å
498	F	75.6	Confident	77.4	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.009	28%	0.278	C	S	.	.			trans	-90.4	17.1	177.3	-53.2	-76.8	0	0	0	112.8	E403 V406 M407 L410 V415 L470 H477 V495 L500 A501	E403-F498 HydrophobicContact CG-CB 4.12Å; V406-F498 HydrophobicContact CG1-CB 4.46Å; M407-F498 HydrophobicContact CE-CD2 4.33Å; M407-F498 HydrophobicContact CE-CE2 4.43Å; M407-F498 HydrophobicContact CG-CB 4.5Å; M407-F498 HydrophobicContact CG-CD2 3.57Å; M407-F498 HydrophobicContact CG-CE2 4.29Å; M407-F498 HydrophobicContact CG-CG 4.37Å; M407-F498 HydrophobicContact SD-CD2 4.04Å; L410-F498 HydrophobicContact CD1-CD2 4.45Å; L410-F498 HydrophobicContact CD1-CE1 4.33Å; L410-F498 HydrophobicContact CD1-CE2 4.22Å; L410-F498 HydrophobicContact CD1-CZ 4.18Å; V415-F498 HydrophobicContact CG1-CE2 4.28Å; V415-F498 HydrophobicContact CG1-CZ 3.84Å; L470-F498 HydrophobicContact CD1-CE1 3.74Å; L470-F498 HydrophobicContact CD1-CZ 4.49Å; L470-F498 HydrophobicContact CD2-CD1 4.4Å; L470-F498 HydrophobicContact CD2-CE1 3.8Å; L470-F498 HydrophobicContact CD2-CZ 4.44Å; L470-F498 HydrophobicContact CG-CE1 4.44Å; H477-F498 AromaticContact CD2-CD1 3.83Å; H477-F498 AromaticContact CD2-CE1 3.65Å; H477-F498 AromaticContact NE2-CD1 3.82Å; H477-F498 AromaticContact NE2-CE1 3.68Å; V495-F498 HydrophobicContact CG1-CE1 4.33Å; V495-F498 HydrophobicContact CG1-CZ 4.4Å; F498-L500 PolarHBondContact O-N 2.69Å; F498-A501 HydrophobicContact CB-CB 3.86Å; F498-A501 HydrophobicContact CD1-CB 4.34Å; F498-A501 VanDerWaalsContact O-CB 3.3Å; F498-A501 WeakPolarHBondContact O-CB 3.41Å; F498-A501 PolarHBondContact O-N 2.8Å
499	G	66.6	Low	74.7	Confident	8 Å²	8	58.2 Å²	58.2	8%	0.082	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.1	-177.4	0	0	0	0	0	114.3	D497	D497-G499 VanDerWaalsContact C-N 3.28Å; D497-G499 PolarHBondContact O-N 2.8Å; D497-G499 PolarHBondContact OD1-N 3.41Å; D497-G499 VanDerWaalsContact OD1-N 3.12Å
500	L	65.3	Low	72.1	Confident	29 Å²	29	59.9 Å²	59.9	15%	0.152	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	0.6	176.4	-64.4	178	0	0	0	113.9	F369 R478 D479 F498 V533	F369-L500 HydrophobicContact CZ-CD2 4.15Å; R478-L500 VanDerWaalsContact CZ-O 3.26Å; R478-L500 PolarHBondContact NE-O 2.85Å; R478-L500 PolarHBondContact NH2-O 2.91Å; D479-L500 HydrophobicContact CB-CB 4.24Å; D479-L500 HydrophobicContact CB-CD1 3.79Å; F498-L500 PolarHBondContact O-N 2.69Å; L500-V533 HydrophobicContact CB-CG2 4.31Å; L500-V533 HydrophobicContact CD1-CB 4.21Å; L500-V533 HydrophobicContact CD1-CG2 4.45Å; L500-V533 HydrophobicContact CD2-CB 4.11Å; L500-V533 HydrophobicContact CD2-CG1 4.42Å; L500-V533 HydrophobicContact CD2-CG2 4.29Å
501	A	77.1	Confident	69.5	Low	13 Å²	13	62 Å²	62	11%	0.107	32%	0.324	C	S	.	.			trans	-64.6	150.9	-177.1	0	0	0	0	0	112.7	I475 I476 F498	I475-A501 HydrophobicContact CG2-CB 4.03Å; I476-A501 CarbonylContact O-C 3.52Å; I476-A501 VanDerWaalsContact O-CA 3.26Å; I476-A501 WeakPolarHBondContact O-CA 3.31Å; F498-A501 HydrophobicContact CB-CB 3.86Å; F498-A501 HydrophobicContact CD1-CB 4.34Å; F498-A501 VanDerWaalsContact O-CB 3.3Å; F498-A501 WeakPolarHBondContact O-CB 3.41Å; F498-A501 PolarHBondContact O-N 2.8Å
502	R	72.6	Confident	66.8	Low	98 Å²	98	66.2 Å²	66.2	37%	0.37	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.7	-177.8	-169.5	170.6	-175.2	126.5	-2.4	112.2	I475 I476 Y530	I475-R502 WeakPolarHBondContact CA-O 3.21Å; I476-R502 PolarHBondContact N-O 3.08Å; I476-R502 PolarHBondContact O-N 3.45Å; R502-Y530 VanDerWaalsContact CZ-CD1 3.44Å; R502-Y530 VanDerWaalsContact NE-CE1 3.3Å
503	L	74.1	Confident	64.2	Low	84 Å²	84	72.3 Å²	72.3	44%	0.44	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.3	168.8	-70.7	163.7	0	0	0	110	N474 I475 V505	N474-L503 WeakPolarHBondContact O-CA 3.16Å; I475-L503 HydrophobicContact CD1-CD2 4.33Å; I475-L503 HydrophobicContact CG1-CD2 3.61Å; I475-L503 HydrophobicContact CG1-CG 4.49Å; L503-V505 PolarHBondContact O-N 3.45Å
504	M	69.5	Low	61.3	Low	19 Å²	19	78.3 Å²	78.3	9%	0.094	41%	0.408	C	S	.	.			trans	-71	122	169.5	-64.4	-169.5	-85.2	0	0	109.6	N474 I476 D506 E551	N474-M504 HydrophobicContact CB-CB 4.27Å; N474-M504 HydrophobicContact CB-CE 4.38Å; N474-M504 PolarHBondContact O-N 2.78Å; I476-M504 HydrophobicContact CD1-CG 3.73Å; I476-M504 HydrophobicContact CD1-SD 3.98Å; I476-M504 HydrophobicContact CG1-CE 4.4Å; I476-M504 HydrophobicContact CG1-CG 3.67Å; I476-M504 HydrophobicContact CG1-SD 3.92Å; M504-D506 PolarHBondContact O-N 3.31Å; M504-E551 HydrophobicContact CE-CB 4.1Å; M504-E551 HydrophobicContact SD-CB 4.18Å
505	V	59.6	Low	58.6	Low	96 Å²	96	88.3 Å²	88.3	58%	0.582	46%	0.455	S	S	*	.			trans	-86.7	101.7	170.2	-175.6	0	0	0	0	107.6	L503 D507 K528	L503-V505 PolarHBondContact O-N 3.45Å; V505-D507 PolarHBondContact O-N 3.25Å; V505-K528 PolarHBondContact O-NZ 3.42Å
506	D	52.1	Low	55.7	Low	54 Å²	54	91.9 Å²	91.9	29%	0.289	49%	0.491	S	S	.	.			trans	-70.2	115.6	165.3	-71.1	-14	0	0	0	108.1	N474 M504 K508 R526	N474-D506 PolarHBondContact ND2-OD1 2.84Å; M504-D506 PolarHBondContact O-N 3.31Å; D506-K508 HydrophobicContact CB-CD 4.14Å; D506-K508 HydrophobicContact CB-CG 4.09Å; D506-K508 PolarHBondContact O-N 2.8Å; D506-K508 WeakPolarHBondContact OD2-CE 3.5Å; D506-K508 IonicContact OD2-NZ 2.84Å; D506-K508 PolarHBondContact OD2-NZ 3.47Å; D506-R526 IonicContact OD1-CZ 2.7Å; D506-R526 IonicContact OD1-NE 3.1Å; D506-R526 IonicContact OD1-NH2 3.25Å; D506-R526 PolarHBondContact OD1-NH2 3.04Å
507	D	45	Very low	53.3	Low	104 Å²	104	101.7 Å²	101.7	56%	0.556	53%	0.533	S	S	*	.			trans	-76.2	67.7	178.8	-57.1	-37.6	0	0	0	111.3	V505 C509 K528	V505-D507 PolarHBondContact O-N 3.25Å; D507-C509 PolarHBondContact O-N 3.24Å; D507-C509 VanDerWaalsContact O-N 3.09Å; D507-K528 IonicContact OD1-NZ 2.62Å; D507-K528 PolarHBondContact OD1-NZ 3.03Å; D507-K528 VanDerWaalsContact OD1-NZ 3.09Å; D507-K528 VanDerWaalsContact OD2-CE 3.27Å; D507-K528 WeakPolarHBondContact OD2-CE 3.47Å; D507-K528 IonicContact OD2-NZ 2.72Å; D507-K528 PolarHBondContact OD2-NZ 2.94Å
508	K	39.7	Very low	51	Low	161 Å²	161	106.3 Å²	106.3	70%	0.7	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	11.2	-179.4	-75.4	172.1	176	151.3	0	114.1	D506	D506-K508 HydrophobicContact CB-CD 4.14Å; D506-K508 HydrophobicContact CB-CG 4.09Å; D506-K508 PolarHBondContact O-N 2.8Å; D506-K508 WeakPolarHBondContact OD2-CE 3.5Å; D506-K508 IonicContact OD2-NZ 2.84Å; D506-K508 PolarHBondContact OD2-NZ 3.47Å
509	C	38.3	Very low	49.3	Very low	118 Å²	118	112.5 Å²	112.5	80%	0.797	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-19.5	-172.3	-74.5	0	0	0	0	116.5	D507	D507-C509 PolarHBondContact O-N 3.24Å; D507-C509 VanDerWaalsContact O-N 3.09Å
510	E	35.4	Very low	48	Very low	170 Å²	170	115.6 Å²	115.6	79%	0.794	63%	0.629	S	S	*	*	S	Bend	trans	-85.8	-28.3	-176.8	-65.1	-162.6	143.2	0	0	113.9	K512	E510-K512 PolarHBondContact O-N 2.93Å; E510-K512 VanDerWaalsContact O-N 3.17Å
511	N	37.3	Very low	46.7	Very low	150 Å²	150	121.8 Å²	121.8	80%	0.802	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	58.3	-175.8	-77.4	-24.7	0	0	0	114.4
512	K	37.2	Very low	45.1	Very low	185 Å²	185	130.4 Å²	130.4	80%	0.804	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	5.6	169.6	-85.3	-166.6	176.6	-178.1	0	115.8	E510	E510-K512 PolarHBondContact O-N 2.93Å; E510-K512 VanDerWaalsContact O-N 3.17Å
513	L	40.4	Very low	43.7	Very low	170 Å²	170	134.7 Å²	134.7	89%	0.89	72%	0.718	S	S	*	*	S	Bend	trans	-131	30.2	-175	-80	170.3	0	0	0	116.3
514	T	36.1	Very low	42.3	Very low	125 Å²	125	135.7 Å²	135.7	77%	0.767	73%	0.73	S	S	*	*			trans	-139.8	102.2	160.3	52.2	0	0	0	0	111.6
515	Q	40	Very low	41.6	Very low	211 Å²	211	140.7 Å²	140.7	99%	0.986	76%	0.757	S	S	*	*			trans	-76.3	120.1	166.2	-75.9	-175	-12.4	0	0	109.8
516	G	36.2	Very low	41.6	Very low	74 Å²	74	139.8 Å²	139.8	76%	0.763	74%	0.743	S	S	*	*			trans	-179.1	99.2	174	0	0	0	0	0	111.2
517	K	39.7	Very low	42.2	Very low	213 Å²	213	140.4 Å²	140.4	93%	0.926	74%	0.741	S	S	*	*			trans	-76.1	123.6	179	-79.2	-179.3	174.4	178.6	0	111
518	L	32.7	Very low	42.8	Very low	149 Å²	149	138.2 Å²	138.2	78%	0.78	73%	0.726	S	S	*	*			trans	-132.2	121.4	155.9	-83.9	164.2	0	0	0	108.5	G520	L518-G520 PolarHBondContact O-N 3.28Å
519	P	40.4	Very low	43.5	Very low	131 Å²	131	140.5 Å²	140.5	85%	0.851	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	108.9	176.9	31.2	-30.6	0	0	0	109.8
520	G	40	Very low	44.4	Very low	74 Å²	74	136.1 Å²	136.1	76%	0.763	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	156.4	6.2	-179.5	0	0	0	0	0	116.2	L518 K522	L518-G520 PolarHBondContact O-N 3.28Å; G520-K522 PolarHBondContact O-N 3.12Å
521	L	37.5	Very low	45.6	Very low	158 Å²	158	131.9 Å²	131.9	83%	0.827	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-71.9	127	177.6	-108.1	65	0	0	0	111.4
522	K	42.4	Very low	46.9	Very low	195 Å²	195	128.2 Å²	128.2	85%	0.848	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-50.2	154.1	167.7	-63	177.1	176.9	-178.1	0	110.1	G520	G520-K522 PolarHBondContact O-N 3.12Å
523	K	44.7	Very low	48.4	Very low	187 Å²	187	121 Å²	121	81%	0.813	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-47.2	134.9	169.1	-74.1	-178.4	178.4	178.1	0	108.5	D525	K523-D525 PolarHBondContact O-N 2.94Å
524	P	44.8	Very low	49.9	Very low	106 Å²	106	114 Å²	114	69%	0.688	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-56.9	138.7	177.7	25.4	-34.1	0	0	0	108.8	R526	P524-R526 WeakPolarHBondContact O-CG 3.25Å; P524-R526 PolarHBondContact O-N 3.45Å
525	D	53.9	Low	51.9	Low	124 Å²	124	110.7 Å²	110.7	66%	0.663	58%	0.584	S	S	*	*			trans	-65.5	110.6	178.7	-168.9	-3.7	0	0	0	109	K523 R527	K523-D525 PolarHBondContact O-N 2.94Å; D525-R527 WeakPolarHBondContact OD1-CB 3.5Å; D525-R527 WeakPolarHBondContact OD1-CG 3.41Å; D525-R527 PolarHBondContact OD1-N 3.04Å
526	R	59.4	Low	53.9	Low	76 Å²	76	104.4 Å²	104.4	29%	0.287	56%	0.562	S	S	.	*			trans	-90.1	-7	179.5	-55.7	-176.8	82.8	-161.3	10.7	111.7	N474 D506 P524 K528 E551	N474-R526 PolarHBondContact ND2-NH2 3.2Å; D506-R526 IonicContact OD1-CZ 2.7Å; D506-R526 IonicContact OD1-NE 3.1Å; D506-R526 IonicContact OD1-NH2 3.25Å; D506-R526 PolarHBondContact OD1-NH2 3.04Å; P524-R526 WeakPolarHBondContact O-CG 3.25Å; P524-R526 PolarHBondContact O-N 3.45Å; R526-K528 PolarHBondContact O-N 3.1Å; R526-E551 VanDerWaalsContact NH1-CD 3.35Å; R526-E551 IonicContact NH1-OE1 3.16Å; R526-E551 PolarHBondContact NH1-OE1 2.92Å; R526-E551 IonicContact NH1-OE2 3.85Å; R526-E551 PolarHBondContact NH1-OE2 3.3Å
527	R	65.2	Low	56.4	Low	68 Å²	68	104.6 Å²	104.6	26%	0.257	54%	0.54	S	S	.	.			trans	-67.7	116.5	-176.8	-65.3	177.9	172.9	151.7	0.8	109.2	D525 Y549 D550 D615	D525-R527 WeakPolarHBondContact OD1-CB 3.5Å; D525-R527 WeakPolarHBondContact OD1-CG 3.41Å; D525-R527 PolarHBondContact OD1-N 3.04Å; R527-Y549 WeakPolarHBondContact CA-O 3.4Å; R527-D550 HydrophobicContact CG-CB 3.96Å; R527-D550 IonicContact NE-OD2 2.74Å; R527-D550 PolarHBondContact NE-OD2 3.38Å; R527-D615 IonicContact CZ-OD2 2.65Å; R527-D615 VanDerWaalsContact CZ-OD2 3.26Å; R527-D615 IonicContact NH1-OD2 3.21Å; R527-D615 PolarHBondContact NH1-OD2 3.45Å; R527-D615 VanDerWaalsContact NH1-OD2 3.08Å; R527-D615 IonicContact NH2-OD1 3.91Å; R527-D615 PolarHBondContact NH2-OD1 3.39Å; R527-D615 IonicContact NH2-OD2 2.69Å; R527-D615 PolarHBondContact NH2-OD2 3.07Å
528	K	58.4	Low	59	Low	57 Å²	57	94.8 Å²	94.8	25%	0.248	50%	0.497	C	S	.	.	B	Isolated β-bridge	trans	-118.6	148.8	176.4	-70.9	-179.1	175.2	-177.2	0	109.1	V505 D507 R526 Y530 S548 Y549	V505-K528 PolarHBondContact O-NZ 3.42Å; D507-K528 IonicContact OD1-NZ 2.62Å; D507-K528 PolarHBondContact OD1-NZ 3.03Å; D507-K528 VanDerWaalsContact OD1-NZ 3.09Å; D507-K528 VanDerWaalsContact OD2-CE 3.27Å; D507-K528 WeakPolarHBondContact OD2-CE 3.47Å; D507-K528 IonicContact OD2-NZ 2.72Å; D507-K528 PolarHBondContact OD2-NZ 2.94Å; R526-K528 PolarHBondContact O-N 3.1Å; K528-Y530 HydrophobicContact CB-CD1 4.28Å; K528-Y530 HydrophobicContact CB-CD2 4.32Å; K528-Y530 HydrophobicContact CB-CE1 3.8Å; K528-Y530 HydrophobicContact CB-CE2 3.84Å; K528-Y530 HydrophobicContact CD-CE1 4.36Å; K528-Y530 WeakPolarHBondContact O-CD2 3.3Å; K528-Y530 PolarHBondContact O-N 2.9Å; K528-Y530 VanDerWaalsContact O-N 3.08Å; K528-S548 WeakPolarHBondContact O-CA 3.37Å; K528-Y549 PolarHBondContact N-O 3.45Å; K528-Y549 VanDerWaalsContact N-O 3.08Å; K528-Y549 PolarHBondContact O-N 2.7Å
529	R	53.1	Low	61.7	Low	209 Å²	209	88.5 Å²	88.5	79%	0.789	46%	0.464	S	S	*	.			trans	-75.6	99.8	173.7	-162.7	176.6	-170.9	-160.4	-3.1	108.3	G546	R529-G546 PolarHBondContact NE-O 3.28Å
530	Y	57.1	Low	64.2	Low	26 Å²	26	82.3 Å²	82.3	10%	0.102	42%	0.424	C	S	.	.			trans	-104.3	169.3	176.1	-61.1	-56.3	0	0	0	110.2	I476 R502 K528 Y549	I476-Y530 HydrophobicContact CD1-CE2 4.17Å; R502-Y530 VanDerWaalsContact CZ-CD1 3.44Å; R502-Y530 VanDerWaalsContact NE-CE1 3.3Å; K528-Y530 HydrophobicContact CB-CD1 4.28Å; K528-Y530 HydrophobicContact CB-CD2 4.32Å; K528-Y530 HydrophobicContact CB-CE1 3.8Å; K528-Y530 HydrophobicContact CB-CE2 3.84Å; K528-Y530 HydrophobicContact CD-CE1 4.36Å; K528-Y530 WeakPolarHBondContact O-CD2 3.3Å; K528-Y530 PolarHBondContact O-N 2.9Å; K528-Y530 VanDerWaalsContact O-N 3.08Å; Y530-Y549 VanDerWaalsContact CB-CZ 3.48Å; Y530-Y549 VanDerWaalsContact CB-OH 3.32Å; Y530-Y549 WeakPolarHBondContact CB-OH 3.47Å; Y530-Y549 HydrophobicContact CD2-CD2 4Å; Y530-Y549 AromaticContact CD2-CE2 3.69Å; Y530-Y549 HydrophobicContact CD2-CE2 3.69Å; Y530-Y549 HydrophobicContact CG-CE2 4.37Å
531	T	61	Low	66.5	Low	81 Å²	81	79.1 Å²	79.1	50%	0.497	39%	0.39	S	S	.	.			trans	-63	140.5	176.1	52.8	0	0	0	0	111.5	R478 V533 Y549	R478-T531 PolarHBondContact NH1-O 3.39Å; R478-T531 PolarHBondContact NH1-OG1 2.92Å; T531-V533 PolarHBondContact O-N 3.47Å; T531-Y549 PolarHBondContact O-OH 3.5Å
532	V	65.4	Low	68.8	Low	74 Å²	74	72.6 Å²	72.6	45%	0.448	36%	0.355	S	S	.	.			trans	-77.1	115.9	171.1	-177.1	0	0	0	0	107.6	M539 M543	V532-M539 HydrophobicContact CG1-CE 4.31Å; V532-M539 HydrophobicContact CG1-SD 3.78Å; V532-M543 HydrophobicContact CG1-CG 4.29Å; V532-M543 VanDerWaalsContact CG2-O 3.27Å; V532-M543 WeakPolarHBondContact CG2-O 3.46Å
533	V	67.1	Low	70.7	Confident	34 Å²	34	63.4 Å²	63.4	21%	0.206	32%	0.315	C	S	.	.			trans	-152.6	157.9	-176.7	-63.5	0	0	0	0	109.9	R478 L500 T531 M539	R478-V533 HydrophobicContact CB-CG2 4.27Å; R478-V533 VanDerWaalsContact CZ-CG2 3.42Å; L500-V533 HydrophobicContact CB-CG2 4.31Å; L500-V533 HydrophobicContact CD1-CB 4.21Å; L500-V533 HydrophobicContact CD1-CG2 4.45Å; L500-V533 HydrophobicContact CD2-CB 4.11Å; L500-V533 HydrophobicContact CD2-CG1 4.42Å; L500-V533 HydrophobicContact CD2-CG2 4.29Å; T531-V533 PolarHBondContact O-N 3.47Å; V533-M539 WeakPolarHBondContact O-CE 3.48Å
534	G	72.2	Confident	72.4	Confident	23 Å²	23	57.1 Å²	57.1	24%	0.237	29%	0.29	C	S	.	.	S	Bend	trans	110.9	173.1	178.5	0	0	0	0	0	112.5	D479 M539	D479-G534 WeakPolarHBondContact OD1-CA 3.4Å; G534-M539 WeakPolarHBondContact O-CE 3.45Å
535	N	78.6	Confident	73.8	Confident	54 Å²	54	56.8 Å²	56.8	29%	0.289	28%	0.279	S	S	.	.			trans	-70.4	124.9	179.7	-170.3	-52	0	0	0	111.3	D479 Y537 W538 M539	D479-N535 PolarHBondContact OD1-N 3.44Å; N535-Y537 PolarHBondContact O-N 3.15Å; N535-Y537 VanDerWaalsContact O-N 3.13Å; N535-Y537 PolarHBondContact OD1-N 3.42Å; N535-Y537 VanDerWaalsContact OD1-N 3.11Å; N535-W538 HydrophobicContact CB-CE3 3.9Å; N535-W538 HydrophobicContact CB-CZ3 4.27Å; N535-W538 VanDerWaalsContact CG-CE3 3.5Å; N535-W538 VanDerWaalsContact CG-CZ3 3.46Å; N535-W538 PolarHBondContact O-N 3.02Å; N535-W538 WeakPolarHBondContact OD1-CZ3 3.28Å; N535-M539 PolarHBondContact O-N 3.49Å
536	P	81.1	Confident	74.7	Confident	79 Å²	79	51.8 Å²	51.8	51%	0.513	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.7	-173.4	24.7	-35.6	0	0	0	114.3	M539	P536-M539 PolarHBondContact O-N 3.23Å
537	Y	89.6	Confident	75.5	Confident	79 Å²	79	54 Å²	54	31%	0.31	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-33.1	-175.9	-56.2	-17.7	0	0	0	112.7	N535 D572 P573 R578	N535-Y537 PolarHBondContact O-N 3.15Å; N535-Y537 VanDerWaalsContact O-N 3.13Å; N535-Y537 PolarHBondContact OD1-N 3.42Å; N535-Y537 VanDerWaalsContact OD1-N 3.11Å; Y537-D572 HydrophobicContact CD2-CB 4.02Å; Y537-D572 HydrophobicContact CE2-CB 3.65Å; Y537-D572 VanDerWaalsContact CE2-OD2 3.31Å; Y537-D572 WeakPolarHBondContact CE2-OD2 3.47Å; Y537-D572 VanDerWaalsContact CZ-OD2 3.27Å; Y537-D572 PolarHBondContact OH-OD2 3.22Å; Y537-P573 HydrophobicContact CD1-CG 4.41Å; Y537-R578 PolarHBondContact O-NH1 3.36Å
538	W	94.6	Very high	75.9	Confident	6 Å²	6	53.4 Å²	53.4	2%	0.023	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-2.5	175.4	-63.2	-101	0	0	0	112.7	N481 S482 H483 N535 S557 I560 E564 A571	N481-W538 HydrophobicContact CB-CB 4.39Å; N481-W538 HydrophobicContact CB-CD2 3.46Å; N481-W538 VanDerWaalsContact CB-CD2 3.46Å; N481-W538 HydrophobicContact CB-CE3 3.72Å; N481-W538 HydrophobicContact CB-CG 3.78Å; N481-W538 HydrophobicContact CB-CH2 4.44Å; N481-W538 HydrophobicContact CB-CZ2 4.2Å; N481-W538 HydrophobicContact CB-CZ3 4.22Å; S482-W538 WeakPolarHBondContact OG-CZ2 3.45Å; H483-W538 AromaticContact CD2-CH2 3.96Å; N535-W538 HydrophobicContact CB-CE3 3.9Å; N535-W538 HydrophobicContact CB-CZ3 4.27Å; N535-W538 VanDerWaalsContact CG-CE3 3.5Å; N535-W538 VanDerWaalsContact CG-CZ3 3.46Å; N535-W538 PolarHBondContact O-N 3.02Å; N535-W538 WeakPolarHBondContact OD1-CZ3 3.28Å; W538-S557 VanDerWaalsContact O-CA 3.27Å; W538-S557 WeakPolarHBondContact O-CA 3.46Å; W538-S557 VanDerWaalsContact O-CB 3.31Å; W538-S557 WeakPolarHBondContact O-CB 3.43Å; W538-S557 PolarHBondContact O-OG 3.39Å; W538-I560 HydrophobicContact CG-CB 4.45Å; W538-I560 HydrophobicContact CG-CG2 4.02Å; W538-E564 VanDerWaalsContact CZ2-OE2 3.28Å; W538-E564 WeakPolarHBondContact CZ2-OE2 3.36Å; W538-E564 PolarHBondContact NE1-OE2 3.15Å; W538-A571 HydrophobicContact CD2-CB 4Å; W538-A571 VanDerWaalsContact CE2-CB 3.41Å; W538-A571 HydrophobicContact CE3-CB 4.42Å; W538-A571 HydrophobicContact CH2-CB 3.82Å; W538-A571 HydrophobicContact CZ2-CB 3.33Å; W538-A571 HydrophobicContact CZ3-CB 4.33Å
539	M	89.5	Confident	77.1	Confident	17 Å²	17	50.8 Å²	50.8	8%	0.084	26%	0.263	C	S	.	.			trans	-70	136.7	-175	-166.1	179.4	-62.7	0	0	112	V532 V533 G534 N535 P536 M543 I544 F556	V532-M539 HydrophobicContact CG1-CE 4.31Å; V532-M539 HydrophobicContact CG1-SD 3.78Å; V533-M539 WeakPolarHBondContact O-CE 3.48Å; G534-M539 WeakPolarHBondContact O-CE 3.45Å; N535-M539 PolarHBondContact O-N 3.49Å; P536-M539 PolarHBondContact O-N 3.23Å; M539-M543 HydrophobicContact CG-CB 3.96Å; M539-M543 HydrophobicContact CG-CG 4.1Å; M539-M543 HydrophobicContact CG-SD 3.92Å; M539-M543 HydrophobicContact SD-CB 4.3Å; M539-M543 HydrophobicContact SD-CG 4Å; M539-M543 HydrophobicContact SD-SD 4.07Å; M539-I544 HydrophobicContact CB-CD1 4.22Å; M539-I544 HydrophobicContact CB-CG1 3.93Å; M539-I544 HydrophobicContact CG-CG1 3.75Å; M539-I544 HydrophobicContact SD-CG1 3.67Å; M539-F556 WeakPolarHBondContact O-CE1 3.38Å
540	A	92.1	Very high	78.8	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.008	23%	0.227	C	C	.	.			trans	-69.5	142.3	178.6	0	0	0	0	0	112	E542 M543 I544 V553 F556	A540-E542 VanDerWaalsContact C-N 3.3Å; A540-E542 PolarHBondContact O-N 2.81Å; A540-M543 WeakPolarHBondContact O-CA 3.47Å; A540-M543 WeakPolarHBondContact O-CB 3.47Å; A540-M543 PolarHBondContact O-N 3.4Å; A540-I544 PolarHBondContact O-N 3.02Å; A540-V553 HydrophobicContact CB-CB 3.89Å; A540-V553 HydrophobicContact CB-CG1 3.96Å; A540-F556 HydrophobicContact CB-CB 3.82Å; A540-F556 HydrophobicContact CB-CD1 4.14Å; A540-F556 HydrophobicContact CB-CG 4Å
541	P	87.9	Confident	80.4	Confident	8 Å²	8	41.7 Å²	41.7	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-55.7	-40.1	-176.6	-27.4	35.2	0	0	0	113.6	M543 I544 H545 F556 F582 L612	P541-M543 VanDerWaalsContact C-N 3.26Å; P541-M543 PolarHBondContact O-N 3.36Å; P541-I544 PolarHBondContact O-N 3.39Å; P541-H545 PolarHBondContact O-N 2.92Å; P541-H545 PolarHBondContact O-ND1 3.02Å; P541-F556 HydrophobicContact CG-CE2 3.93Å; P541-F556 HydrophobicContact CG-CZ 4Å; P541-F582 HydrophobicContact CB-CB 4.4Å; P541-F582 HydrophobicContact CG-CB 4.22Å; P541-L612 HydrophobicContact CB-CD2 4.46Å; P541-L612 HydrophobicContact CG-CD2 3.9Å
542	E	86.8	Confident	82.1	Confident	21 Å²	21	39.9 Å²	39.9	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-29.5	177.8	68.1	-81.5	-168.9	0	0	113.3	A540 K547 V553 R617	A540-E542 VanDerWaalsContact C-N 3.3Å; A540-E542 PolarHBondContact O-N 2.81Å; E542-K547 HydrophobicContact CB-CB 4.4Å; E542-K547 HydrophobicContact CB-CD 4.47Å; E542-K547 WeakPolarHBondContact O-CB 3.49Å; E542-K547 PolarHBondContact O-N 2.92Å; E542-V553 HydrophobicContact CG-CG1 4.34Å; E542-V553 WeakPolarHBondContact OE1-CG1 3.33Å; E542-R617 IonicContact OE1-CZ 3.75Å; E542-R617 IonicContact OE1-NH1 2.69Å; E542-R617 PolarHBondContact OE1-NH1 2.66Å; E542-R617 IonicContact OE1-NH2 3.26Å; E542-R617 PolarHBondContact OE1-NH2 3.48Å; E542-R617 IonicContact OE2-CZ 2.8Å; E542-R617 IonicContact OE2-NH1 2.8Å; E542-R617 IonicContact OE2-NH2 3.72Å; E542-R617 PolarHBondContact OE2-NH2 2.93Å
543	M	83.1	Confident	83.5	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-75.7	-43.3	173.6	-169.6	-177.1	-49	0	0	111.1	R478 V532 M539 A540 P541 H545 G546 Y549 V553	R478-M543 HydrophobicContact CB-CE 4.4Å; R478-M543 HydrophobicContact CG-CE 4.48Å; V532-M543 HydrophobicContact CG1-CG 4.29Å; V532-M543 VanDerWaalsContact CG2-O 3.27Å; V532-M543 WeakPolarHBondContact CG2-O 3.46Å; M539-M543 HydrophobicContact CG-CB 3.96Å; M539-M543 HydrophobicContact CG-CG 4.1Å; M539-M543 HydrophobicContact CG-SD 3.92Å; M539-M543 HydrophobicContact SD-CB 4.3Å; M539-M543 HydrophobicContact SD-CG 4Å; M539-M543 HydrophobicContact SD-SD 4.07Å; A540-M543 WeakPolarHBondContact O-CA 3.47Å; A540-M543 WeakPolarHBondContact O-CB 3.47Å; A540-M543 PolarHBondContact O-N 3.4Å; P541-M543 VanDerWaalsContact C-N 3.26Å; P541-M543 PolarHBondContact O-N 3.36Å; M543-H545 VanDerWaalsContact C-N 3.26Å; M543-H545 PolarHBondContact O-N 3.18Å; M543-G546 PolarHBondContact O-N 3.47Å; M543-Y549 HydrophobicContact CB-CD1 4.23Å; M543-Y549 HydrophobicContact CB-CE1 4.36Å; M543-Y549 HydrophobicContact CE-CD2 4.1Å; M543-Y549 HydrophobicContact CE-CE1 4.16Å; M543-Y549 HydrophobicContact CE-CE2 3.68Å; M543-Y549 HydrophobicContact CG-CD1 4.03Å; M543-Y549 HydrophobicContact CG-CE1 3.66Å; M543-Y549 HydrophobicContact SD-CE1 4.25Å; M543-V553 HydrophobicContact CB-CG1 4.43Å; M543-V553 HydrophobicContact CE-CB 3.61Å; M543-V553 HydrophobicContact CE-CG1 3.73Å; M543-V553 HydrophobicContact CE-CG2 3.52Å
544	I	78.8	Confident	84.9	Confident	54 Å²	54	34.7 Å²	34.7	28%	0.277	18%	0.183	S	C	.	.	H	α-helix	trans	-55.5	-43.5	175.4	-64	171.5	0	0	0	110.5	M539 A540 P541 G546 F582	M539-I544 HydrophobicContact CB-CD1 4.22Å; M539-I544 HydrophobicContact CB-CG1 3.93Å; M539-I544 HydrophobicContact CG-CG1 3.75Å; M539-I544 HydrophobicContact SD-CG1 3.67Å; A540-I544 PolarHBondContact O-N 3.02Å; P541-I544 PolarHBondContact O-N 3.39Å; I544-G546 PolarHBondContact O-N 3Å; I544-F582 HydrophobicContact CD1-CB 4.02Å; I544-F582 HydrophobicContact CD1-CD1 4.13Å; I544-F582 HydrophobicContact CD1-CG 4.03Å; I544-F582 HydrophobicContact CG2-CD2 4.43Å; I544-F582 HydrophobicContact CG2-CE2 4.27Å; I544-F582 HydrophobicContact CG2-CZ 4.32Å
545	H	75.1	Confident	86.2	Confident	100 Å²	100	33.8 Å²	33.8	46%	0.463	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	5.2	178	-65.9	98.7	0	0	0	114.5	P541 M543 K547 F582	P541-H545 PolarHBondContact O-N 2.92Å; P541-H545 PolarHBondContact O-ND1 3.02Å; M543-H545 VanDerWaalsContact C-N 3.26Å; M543-H545 PolarHBondContact O-N 3.18Å; H545-K547 HydrophobicContact CB-CD 4.17Å; H545-K547 HydrophobicContact CB-CG 4Å; H545-K547 PolarHBondContact O-N 3.38Å; H545-F582 AromaticContact CE1-CD2 3.73Å; H545-F582 AromaticContact CE1-CE2 3.91Å; H545-F582 AromaticContact NE2-CE2 4Å
546	G	72.2	Confident	87.1	Confident	18 Å²	18	31.2 Å²	31.2	19%	0.186	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	21.7	178.9	0	0	0	0	0	115.2	R529 M543 I544	R529-G546 PolarHBondContact NE-O 3.28Å; M543-G546 PolarHBondContact O-N 3.47Å; I544-G546 PolarHBondContact O-N 3Å
547	K	77.6	Confident	87.9	Confident	122 Å²	122	27.7 Å²	27.7	53%	0.53	14%	0.137	S	C	.	.			trans	-74.9	169.3	178.2	-60.5	176.6	-178	171.5	0	110.3	E542 H545	E542-K547 HydrophobicContact CB-CB 4.4Å; E542-K547 HydrophobicContact CB-CD 4.47Å; E542-K547 WeakPolarHBondContact O-CB 3.49Å; E542-K547 PolarHBondContact O-N 2.92Å; H545-K547 HydrophobicContact CB-CD 4.17Å; H545-K547 HydrophobicContact CB-CG 4Å; H545-K547 PolarHBondContact O-N 3.38Å
548	S	72.9	Confident	88.3	Confident	56 Å²	56	24 Å²	24	39%	0.392	12%	0.122	S	C	.	.			trans	-66.9	132.6	168.8	49.7	0	0	0	0	110.1	K528	K528-S548 WeakPolarHBondContact O-CA 3.37Å
549	Y	82.7	Confident	88.5	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.008	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-135.6	162.4	-176.9	68.4	-102.3	0	0	0	112.3	R478 R527 K528 Y530 T531 M543 V553	R478-Y549 VanDerWaalsContact CD-OH 3.22Å; R478-Y549 WeakPolarHBondContact CD-OH 3.36Å; R478-Y549 HydrophobicContact CG-CE2 4.43Å; R478-Y549 PolarHBondContact NH1-OH 3.33Å; R527-Y549 WeakPolarHBondContact CA-O 3.4Å; K528-Y549 PolarHBondContact N-O 3.45Å; K528-Y549 VanDerWaalsContact N-O 3.08Å; K528-Y549 PolarHBondContact O-N 2.7Å; Y530-Y549 VanDerWaalsContact CB-CZ 3.48Å; Y530-Y549 VanDerWaalsContact CB-OH 3.32Å; Y530-Y549 WeakPolarHBondContact CB-OH 3.47Å; Y530-Y549 HydrophobicContact CD2-CD2 4Å; Y530-Y549 AromaticContact CD2-CE2 3.69Å; Y530-Y549 HydrophobicContact CD2-CE2 3.69Å; Y530-Y549 HydrophobicContact CG-CE2 4.37Å; T531-Y549 PolarHBondContact O-OH 3.5Å; M543-Y549 HydrophobicContact CB-CD1 4.23Å; M543-Y549 HydrophobicContact CB-CE1 4.36Å; M543-Y549 HydrophobicContact CE-CD2 4.1Å; M543-Y549 HydrophobicContact CE-CE1 4.16Å; M543-Y549 HydrophobicContact CE-CE2 3.68Å; M543-Y549 HydrophobicContact CG-CD1 4.03Å; M543-Y549 HydrophobicContact CG-CE1 3.66Å; M543-Y549 HydrophobicContact SD-CE1 4.25Å; Y549-V553 HydrophobicContact CD2-CG1 3.62Å; Y549-V553 HydrophobicContact CD2-CG2 4.1Å; Y549-V553 HydrophobicContact CE2-CG1 4.44Å; Y549-V553 HydrophobicContact CE2-CG2 4.32Å; Y549-V553 HydrophobicContact CG-CG1 3.81Å
550	D	88.6	Confident	88.9	Confident	6 Å²	6	22.9 Å²	22.9	3%	0.032	12%	0.117	C	C	.	.			trans	-126.1	-165.2	-175.8	60.2	22.1	0	0	0	110.1	R527 R552 V553	R527-D550 HydrophobicContact CG-CB 3.96Å; R527-D550 IonicContact NE-OD2 2.74Å; R527-D550 PolarHBondContact NE-OD2 3.38Å; D550-R552 PolarHBondContact O-N 2.86Å; D550-R552 VanDerWaalsContact O-N 3.13Å; D550-R552 WeakPolarHBondContact OD1-CB 3.36Å; D550-R552 WeakPolarHBondContact OD1-CG 3.44Å; D550-R552 PolarHBondContact OD1-N 3.44Å; D550-R552 IonicContact OD2-CZ 3.04Å; D550-R552 IonicContact OD2-NH1 2.68Å; D550-R552 PolarHBondContact OD2-NH1 3.09Å; D550-V553 WeakPolarHBondContact O-CG2 3.44Å
551	E	92.4	Very high	89.2	Confident	39 Å²	39	22.8 Å²	22.8	18%	0.182	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.7	178.8	64.8	-94	-145.5	0	0	114.5	H471 I476 M504 R526 V553 D554	H471-E551 PolarHBondContact CE1-O 3.36Å; I476-E551 HydrophobicContact CG1-CB 4.17Å; M504-E551 HydrophobicContact CE-CB 4.1Å; M504-E551 HydrophobicContact SD-CB 4.18Å; R526-E551 VanDerWaalsContact NH1-CD 3.35Å; R526-E551 IonicContact NH1-OE1 3.16Å; R526-E551 PolarHBondContact NH1-OE1 2.92Å; R526-E551 IonicContact NH1-OE2 3.85Å; R526-E551 PolarHBondContact NH1-OE2 3.3Å; E551-V553 PolarHBondContact O-N 3.39Å; E551-D554 PolarHBondContact O-N 3.46Å
552	R	95.7	Very high	89.7	Confident	42 Å²	42	22.4 Å²	22.4	16%	0.158	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.7	-171.2	-50.8	-175.3	-177.1	129.5	-40.6	114.4	D550 D554 I555 F556 A614 D615 R617	D550-R552 PolarHBondContact O-N 2.86Å; D550-R552 VanDerWaalsContact O-N 3.13Å; D550-R552 WeakPolarHBondContact OD1-CB 3.36Å; D550-R552 WeakPolarHBondContact OD1-CG 3.44Å; D550-R552 PolarHBondContact OD1-N 3.44Å; D550-R552 IonicContact OD2-CZ 3.04Å; D550-R552 IonicContact OD2-NH1 2.68Å; D550-R552 PolarHBondContact OD2-NH1 3.09Å; R552-D554 VanDerWaalsContact C-N 3.27Å; R552-I555 HydrophobicContact CB-CD1 3.83Å; R552-I555 HydrophobicContact CG-CD1 3.9Å; R552-I555 WeakPolarHBondContact O-CB 3.37Å; R552-I555 PolarHBondContact O-N 3.08Å; R552-F556 PolarHBondContact O-N 3.16Å; R552-A614 HydrophobicContact CB-CB 4.29Å; R552-A614 WeakPolarHBondContact CD-O 3.31Å; R552-D615 IonicContact CZ-OD1 2.66Å; R552-D615 IonicContact NH1-OD1 2.68Å; R552-D615 PolarHBondContact NH1-OD1 3.46Å; R552-D615 IonicContact NH2-OD1 2.67Å; R552-D615 PolarHBondContact NH2-OD1 2.8Å; R552-R617 PolarHBondContact O-NH1 2.91Å
553	V	94.8	Very high	90.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-39.7	167.3	-61.8	0	0	0	0	111.2	I476 A540 E542 M543 Y549 D550 E551 I555 F556 S557	I476-V553 HydrophobicContact CG2-CG2 3.81Å; A540-V553 HydrophobicContact CB-CB 3.89Å; A540-V553 HydrophobicContact CB-CG1 3.96Å; E542-V553 HydrophobicContact CG-CG1 4.34Å; E542-V553 WeakPolarHBondContact OE1-CG1 3.33Å; M543-V553 HydrophobicContact CB-CG1 4.43Å; M543-V553 HydrophobicContact CE-CB 3.61Å; M543-V553 HydrophobicContact CE-CG1 3.73Å; M543-V553 HydrophobicContact CE-CG2 3.52Å; Y549-V553 HydrophobicContact CD2-CG1 3.62Å; Y549-V553 HydrophobicContact CD2-CG2 4.1Å; Y549-V553 HydrophobicContact CE2-CG1 4.44Å; Y549-V553 HydrophobicContact CE2-CG2 4.32Å; Y549-V553 HydrophobicContact CG-CG1 3.81Å; D550-V553 WeakPolarHBondContact O-CG2 3.44Å; E551-V553 PolarHBondContact O-N 3.39Å; V553-I555 PolarHBondContact O-N 2.98Å; V553-F556 WeakPolarHBondContact O-CB 3.36Å; V553-F556 PolarHBondContact O-N 3.26Å; V553-S557 PolarHBondContact O-N 3.1Å; V553-S557 VanDerWaalsContact O-N 3.17Å; V553-S557 PolarHBondContact O-OG 3.12Å
554	D	97.1	Very high	90.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.3	-29.7	178.9	-65.9	-22.2	0	0	0	111.4	M467 H471 I476 H477 R478 E551 R552 S557 F558 F620	M467-D554 HydrophobicContact CE-CB 3.59Å; M467-D554 VanDerWaalsContact CE-OD2 3.32Å; M467-D554 WeakPolarHBondContact CE-OD2 3.28Å; H471-D554 IonicContact CD2-OD2 3.45Å; H471-D554 IonicContact CE1-OD2 3.08Å; H471-D554 IonicContact NE2-OD2 3.45Å; H471-D554 PolarHBondContact NE2-OD2 3.06Å; I476-D554 WeakPolarHBondContact CG2-OD2 3.2Å; H477-D554 PolarHBondContact N-OD1 3.01Å; H477-D554 PolarHBondContact N-OD2 3.21Å; R478-D554 PolarHBondContact N-OD1 3.4Å; E551-D554 PolarHBondContact O-N 3.46Å; R552-D554 VanDerWaalsContact C-N 3.27Å; D554-S557 PolarHBondContact O-N 2.68Å; D554-F558 WeakPolarHBondContact O-CB 3.38Å; D554-F558 PolarHBondContact O-N 2.89Å; D554-F620 HydrophobicContact CB-CE2 3.79Å; D554-F620 HydrophobicContact CB-CZ 4.24Å
555	I	98.3	Very high	91.7	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.015	10%	0.096	C	C	.	.	H	α-helix	trans	-70.1	-38.5	179.2	-53.3	167.7	0	0	0	110.4	R552 V553 F558 G559 C609 R617 P618 F620 L623	R552-I555 HydrophobicContact CB-CD1 3.83Å; R552-I555 HydrophobicContact CG-CD1 3.9Å; R552-I555 WeakPolarHBondContact O-CB 3.37Å; R552-I555 PolarHBondContact O-N 3.08Å; V553-I555 PolarHBondContact O-N 2.98Å; I555-F558 WeakPolarHBondContact O-CB 3.23Å; I555-F558 PolarHBondContact O-N 3.48Å; I555-G559 PolarHBondContact O-N 3.19Å; I555-C609 HydrophobicContact CG2-CB 4.17Å; I555-R617 HydrophobicContact CB-CB 4.32Å; I555-R617 HydrophobicContact CD1-CB 4.32Å; I555-R617 HydrophobicContact CG2-CB 3.91Å; I555-P618 WeakPolarHBondContact CD1-O 3.34Å; I555-F620 HydrophobicContact CB-CE2 4.41Å; I555-F620 HydrophobicContact CG1-CD2 3.89Å; I555-F620 HydrophobicContact CG1-CE2 3.6Å; I555-F620 HydrophobicContact CG1-CZ 4.15Å; I555-L623 HydrophobicContact CG2-CD1 3.98Å
556	F	98.1	Very high	92.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.5	-46.3	172.3	-174.9	-83.1	0	0	0	111	M539 A540 P541 R552 V553 F558 G559 I560 C609 C610	M539-F556 WeakPolarHBondContact O-CE1 3.38Å; A540-F556 HydrophobicContact CB-CB 3.82Å; A540-F556 HydrophobicContact CB-CD1 4.14Å; A540-F556 HydrophobicContact CB-CG 4Å; P541-F556 HydrophobicContact CG-CE2 3.93Å; P541-F556 HydrophobicContact CG-CZ 4Å; R552-F556 PolarHBondContact O-N 3.16Å; V553-F556 WeakPolarHBondContact O-CB 3.36Å; V553-F556 PolarHBondContact O-N 3.26Å; F556-F558 VanDerWaalsContact C-N 3.27Å; F556-F558 PolarHBondContact O-N 3.01Å; F556-G559 WeakPolarHBondContact O-CA 3.37Å; F556-G559 PolarHBondContact O-N 3.09Å; F556-I560 HydrophobicContact CD1-CG1 4.05Å; F556-I560 HydrophobicContact CE1-CD1 3.95Å; F556-I560 HydrophobicContact CE1-CG1 3.67Å; F556-I560 HydrophobicContact CZ-CD1 4.15Å; F556-I560 HydrophobicContact CZ-CG1 4.34Å; F556-I560 PolarHBondContact O-N 3.22Å; F556-C609 WeakPolarHBondContact CA-O 3.25Å; F556-C610 HydrophobicContact CE2-CB 4.24Å; F556-C610 WeakPolarHBondContact CE2-O 3.39Å
557	S	97.9	Very high	93.8	Very high	6 Å²	6	13.7 Å²	13.7	4%	0.042	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-38.2	175.9	-53.7	0	0	0	0	112.6	L480 W538 V553 D554 M561	L480-S557 WeakPolarHBondContact O-CB 3.15Å; W538-S557 VanDerWaalsContact O-CA 3.27Å; W538-S557 WeakPolarHBondContact O-CA 3.46Å; W538-S557 VanDerWaalsContact O-CB 3.31Å; W538-S557 WeakPolarHBondContact O-CB 3.43Å; W538-S557 PolarHBondContact O-OG 3.39Å; V553-S557 PolarHBondContact O-N 3.1Å; V553-S557 VanDerWaalsContact O-N 3.17Å; V553-S557 PolarHBondContact O-OG 3.12Å; D554-S557 PolarHBondContact O-N 2.68Å; S557-M561 PolarHBondContact O-N 3.24Å; S557-M561 VanDerWaalsContact O-N 3.13Å
558	F	98.6	Very high	94.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.1	-40.8	170.9	178	-113	0	0	0	112.6	A460 I463 A464 L480 D554 I555 F556 I560 M561 L562 F620 L623 L627	A460-F558 HydrophobicContact CB-CZ 4.29Å; A460-F558 WeakPolarHBondContact O-CZ 3.4Å; I463-F558 HydrophobicContact CB-CD2 4.4Å; I463-F558 HydrophobicContact CB-CE2 3.96Å; I463-F558 HydrophobicContact CG2-CD2 3.69Å; I463-F558 HydrophobicContact CG2-CE2 3.76Å; A464-F558 HydrophobicContact CB-CZ 4.07Å; L480-F558 HydrophobicContact CD2-CB 3.98Å; D554-F558 WeakPolarHBondContact O-CB 3.38Å; D554-F558 PolarHBondContact O-N 2.89Å; I555-F558 WeakPolarHBondContact O-CB 3.23Å; I555-F558 PolarHBondContact O-N 3.48Å; F556-F558 VanDerWaalsContact C-N 3.27Å; F556-F558 PolarHBondContact O-N 3.01Å; F558-I560 PolarHBondContact O-N 2.89Å; F558-M561 CarbonylContact O-C 3.58Å; F558-M561 WeakPolarHBondContact O-CA 3.38Å; F558-M561 WeakPolarHBondContact O-CB 3.4Å; F558-M561 PolarHBondContact O-N 3.14Å; F558-M561 VanDerWaalsContact O-N 3.09Å; F558-L562 HydrophobicContact CD1-CD1 4.07Å; F558-L562 HydrophobicContact CD1-CG 4.33Å; F558-L562 HydrophobicContact CE1-CD1 3.65Å; F558-L562 HydrophobicContact CE1-CD2 4.23Å; F558-L562 HydrophobicContact CE1-CG 4.03Å; F558-L562 HydrophobicContact CE2-CD2 4.08Å; F558-L562 HydrophobicContact CE2-CG 4.35Å; F558-L562 HydrophobicContact CZ-CD1 4.07Å; F558-L562 HydrophobicContact CZ-CD2 3.78Å; F558-L562 HydrophobicContact CZ-CG 4.04Å; F558-L562 WeakPolarHBondContact O-CG 3.21Å; F558-L562 PolarHBondContact O-N 2.98Å; F558-F620 HydrophobicContact CB-CE1 3.7Å; F558-F620 HydrophobicContact CB-CZ 3.75Å; F558-F620 AromaticContact CD1-CE1 3.78Å; F558-F620 HydrophobicContact CD1-CE1 3.78Å; F558-F620 HydrophobicContact CD2-CE1 4.14Å; F558-F620 HydrophobicContact CE1-CE1 4.4Å; F558-F620 AromaticContact CG-CE1 3.62Å; F558-F620 HydrophobicContact CG-CE1 3.62Å; F558-F620 HydrophobicContact CG-CZ 4.21Å; F558-L623 HydrophobicContact CD1-CD1 3.9Å; F558-L623 HydrophobicContact CE1-CD1 3.93Å; F558-L623 HydrophobicContact CE1-CD2 4.48Å; F558-L627 HydrophobicContact CE1-CD1 4.21Å; F558-L627 HydrophobicContact CZ-CD1 3.82Å
559	G	98.2	Very high	95.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57	-46.7	174.2	0	0	0	0	0	113.1	I555 F556 M561 L562 C563 C609	I555-G559 PolarHBondContact O-N 3.19Å; F556-G559 WeakPolarHBondContact O-CA 3.37Å; F556-G559 PolarHBondContact O-N 3.09Å; G559-M561 VanDerWaalsContact C-N 3.29Å; G559-M561 PolarHBondContact O-N 3.35Å; G559-L562 WeakPolarHBondContact O-CB 3.09Å; G559-L562 PolarHBondContact O-N 2.85Å; G559-L562 VanDerWaalsContact O-N 3.16Å; G559-C563 PolarHBondContact O-N 3.48Å; G559-C563 VanDerWaalsContact O-N 3.08Å; G559-C609 VanDerWaalsContact CA-CB 3.48Å
560	I	98.1	Very high	96.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.1	-39.8	173.7	-61.5	-61.8	0	0	0	111.1	W538 F556 F558 C563 E564 A571 L576	W538-I560 HydrophobicContact CG-CB 4.45Å; W538-I560 HydrophobicContact CG-CG2 4.02Å; F556-I560 HydrophobicContact CD1-CG1 4.05Å; F556-I560 HydrophobicContact CE1-CD1 3.95Å; F556-I560 HydrophobicContact CE1-CG1 3.67Å; F556-I560 HydrophobicContact CZ-CD1 4.15Å; F556-I560 HydrophobicContact CZ-CG1 4.34Å; F556-I560 PolarHBondContact O-N 3.22Å; F558-I560 PolarHBondContact O-N 2.89Å; I560-C563 WeakPolarHBondContact O-CB 3.25Å; I560-C563 PolarHBondContact O-N 2.89Å; I560-E564 PolarHBondContact O-N 3.2Å; I560-E564 VanDerWaalsContact O-N 3.12Å; I560-A571 HydrophobicContact CG2-CB 3.8Å; I560-L576 HydrophobicContact CD1-CD2 4.09Å; I560-L576 HydrophobicContact CG2-CD2 3.8Å
561	M	97.6	Very high	96.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.5	-35.5	176	-158.9	-173.3	-48.4	0	0	112.9	L440 I463 L480 N481 S557 F558 G559 C563 E564 I565	L440-M561 HydrophobicContact CD2-CG 4.41Å; L440-M561 HydrophobicContact CD2-SD 3.79Å; I463-M561 HydrophobicContact CD1-SD 3.62Å; L480-M561 HydrophobicContact CD1-CE 3.84Å; L480-M561 HydrophobicContact CD2-CE 4.39Å; L480-M561 HydrophobicContact CG-CE 3.7Å; N481-M561 VanDerWaalsContact C-CE 3.45Å; S557-M561 PolarHBondContact O-N 3.24Å; S557-M561 VanDerWaalsContact O-N 3.13Å; F558-M561 CarbonylContact O-C 3.58Å; F558-M561 WeakPolarHBondContact O-CA 3.38Å; F558-M561 WeakPolarHBondContact O-CB 3.4Å; F558-M561 PolarHBondContact O-N 3.14Å; F558-M561 VanDerWaalsContact O-N 3.09Å; G559-M561 VanDerWaalsContact C-N 3.29Å; G559-M561 PolarHBondContact O-N 3.35Å; M561-C563 VanDerWaalsContact C-N 3.32Å; M561-E564 WeakPolarHBondContact O-CB 3.3Å; M561-E564 PolarHBondContact O-N 2.92Å; M561-I565 WeakPolarHBondContact O-CG1 3.49Å; M561-I565 PolarHBondContact O-N 3.22Å
562	L	98.3	Very high	96.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.5	-38.6	171.9	-67.1	179.4	0	0	0	111.4	A460 F558 G559 E564 I565 I566 F602 I605 A606	A460-L562 HydrophobicContact CB-CD2 3.43Å; A460-L562 VanDerWaalsContact CB-CD2 3.43Å; F558-L562 HydrophobicContact CD1-CD1 4.07Å; F558-L562 HydrophobicContact CD1-CG 4.33Å; F558-L562 HydrophobicContact CE1-CD1 3.65Å; F558-L562 HydrophobicContact CE1-CD2 4.23Å; F558-L562 HydrophobicContact CE1-CG 4.03Å; F558-L562 HydrophobicContact CE2-CD2 4.08Å; F558-L562 HydrophobicContact CE2-CG 4.35Å; F558-L562 HydrophobicContact CZ-CD1 4.07Å; F558-L562 HydrophobicContact CZ-CD2 3.78Å; F558-L562 HydrophobicContact CZ-CG 4.04Å; F558-L562 WeakPolarHBondContact O-CG 3.21Å; F558-L562 PolarHBondContact O-N 2.98Å; G559-L562 WeakPolarHBondContact O-CB 3.09Å; G559-L562 PolarHBondContact O-N 2.85Å; G559-L562 VanDerWaalsContact O-N 3.16Å; L562-E564 VanDerWaalsContact C-N 3.34Å; L562-E564 PolarHBondContact O-N 2.87Å; L562-I565 HydrophobicContact CD2-CD1 4.44Å; L562-I565 PolarHBondContact O-N 3.38Å; L562-I566 WeakPolarHBondContact O-CB 3.46Å; L562-I566 VanDerWaalsContact O-CG1 3.24Å; L562-I566 WeakPolarHBondContact O-CG1 3.35Å; L562-I566 PolarHBondContact O-N 3.48Å; L562-F602 HydrophobicContact CD2-CE2 4.08Å; L562-F602 HydrophobicContact CD2-CZ 4.26Å; L562-I605 HydrophobicContact CD1-CG2 3.99Å; L562-A606 HydrophobicContact CB-CB 3.56Å; L562-A606 HydrophobicContact CD1-CB 3.96Å; L562-A606 HydrophobicContact CG-CB 4.43Å
563	C	97.9	Very high	95.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.9	-40.8	172.6	-66.5	0	0	0	0	112.1	G559 I560 M561 G567 L576 F589	G559-C563 PolarHBondContact O-N 3.48Å; G559-C563 VanDerWaalsContact O-N 3.08Å; I560-C563 WeakPolarHBondContact O-CB 3.25Å; I560-C563 PolarHBondContact O-N 2.89Å; M561-C563 VanDerWaalsContact C-N 3.32Å; C563-G567 PolarHBondContact O-N 2.83Å; C563-L576 HydrophobicContact CB-CD1 3.75Å; C563-L576 HydrophobicContact CB-CD2 4.38Å; C563-F589 HydrophobicContact CB-CD2 4.39Å; C563-F589 HydrophobicContact CB-CE2 3.73Å; C563-F589 HydrophobicContact CB-CZ 4.18Å
564	E	97.4	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-44.6	172	-62.6	-174.5	86.5	0	0	112.2	R441 I444 S482 W538 I560 M561 L562 R568 A571	R441-E564 WeakPolarHBondContact CD-OE1 3.28Å; R441-E564 IonicContact CZ-OE1 3.76Å; R441-E564 IonicContact NE-OE1 2.82Å; R441-E564 IonicContact NH1-OE1 2.78Å; R441-E564 PolarHBondContact NH1-OE1 3.23Å; I444-E564 HydrophobicContact CD1-CB 3.94Å; S482-E564 WeakPolarHBondContact CB-OE2 3.39Å; S482-E564 VanDerWaalsContact OG-CD 3.23Å; S482-E564 PolarHBondContact OG-OE1 3.03Å; S482-E564 PolarHBondContact OG-OE2 3.36Å; W538-E564 VanDerWaalsContact CZ2-OE2 3.28Å; W538-E564 WeakPolarHBondContact CZ2-OE2 3.36Å; W538-E564 PolarHBondContact NE1-OE2 3.15Å; I560-E564 PolarHBondContact O-N 3.2Å; I560-E564 VanDerWaalsContact O-N 3.12Å; M561-E564 WeakPolarHBondContact O-CB 3.3Å; M561-E564 PolarHBondContact O-N 2.92Å; L562-E564 VanDerWaalsContact C-N 3.34Å; L562-E564 PolarHBondContact O-N 2.87Å; E564-R568 WeakPolarHBondContact O-CA 3.23Å; E564-R568 PolarHBondContact O-N 2.65Å; E564-A571 HydrophobicContact CG-CB 4.05Å
565	I	97.1	Very high	94.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67	-40	-179.5	-67	165.1	0	0	0	111.9	L440 I444 R456 M561 L562 F602	L440-I565 HydrophobicContact CD2-CD1 4.24Å; I444-I565 HydrophobicContact CD1-CG1 3.83Å; I444-I565 HydrophobicContact CG1-CG1 4.42Å; R456-I565 HydrophobicContact CB-CG2 3.66Å; R456-I565 HydrophobicContact CG-CG2 4.06Å; R456-I565 PolarHBondContact NH1-O 3.4Å; M561-I565 WeakPolarHBondContact O-CG1 3.49Å; M561-I565 PolarHBondContact O-N 3.22Å; L562-I565 HydrophobicContact CD2-CD1 4.44Å; L562-I565 PolarHBondContact O-N 3.38Å; I565-F602 HydrophobicContact CG2-CE1 4.49Å; I565-F602 HydrophobicContact CG2-CZ 4.39Å
566	I	96.8	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.8	-57.8	-179.4	-69.2	165.8	0	0	0	110	W453 R456 L562 F589 P595 F602 F603 A606	W453-I566 HydrophobicContact CH2-CG2 4.39Å; W453-I566 HydrophobicContact CZ3-CG1 4.42Å; R456-I566 PolarHBondContact NH1-O 3.44Å; L562-I566 WeakPolarHBondContact O-CB 3.46Å; L562-I566 VanDerWaalsContact O-CG1 3.24Å; L562-I566 WeakPolarHBondContact O-CG1 3.35Å; L562-I566 PolarHBondContact O-N 3.48Å; I566-F589 HydrophobicContact CB-CZ 4.3Å; I566-F589 HydrophobicContact CG2-CE1 4.01Å; I566-F589 HydrophobicContact CG2-CZ 4.08Å; I566-P595 HydrophobicContact CG2-CG 4.29Å; I566-F602 HydrophobicContact CD1-CD1 3.86Å; I566-F602 HydrophobicContact CD1-CE1 4.06Å; I566-F602 HydrophobicContact CD1-CG 4.27Å; I566-F602 HydrophobicContact CG1-CD1 3.61Å; I566-F602 HydrophobicContact CG1-CE1 3.5Å; I566-F602 VanDerWaalsContact CG1-CE1 3.5Å; I566-F602 HydrophobicContact CG1-CG 4.5Å; I566-F602 HydrophobicContact CG1-CZ 4.3Å; I566-F603 HydrophobicContact CD1-CB 4.14Å; I566-F603 HydrophobicContact CD1-CD2 4.12Å; I566-A606 HydrophobicContact CD1-CB 4.1Å
567	G	94.6	Very high	93.9	Very high	12 Å²	12	24.6 Å²	24.6	12%	0.124	12%	0.124	C	C	.	.	H	α-helix	trans	-83.1	-13.7	-173.1	0	0	0	0	0	114.9	C563 V569 Y593	C563-G567 PolarHBondContact O-N 2.83Å; G567-V569 PolarHBondContact O-N 2.81Å; G567-Y593 WeakPolarHBondContact CA-O 3.28Å
568	R	94.7	Very high	93.5	Very high	107 Å²	107	26.1 Å²	26.1	40%	0.404	13%	0.128	S	C	.	.			trans	57.1	30.5	-169.5	-54.6	173.3	-64.9	132.7	9	112.7	I444 M447 D448 E564	I444-R568 HydrophobicContact CG2-CB 4.47Å; M447-R568 HydrophobicContact CB-CG 4.07Å; M447-R568 WeakPolarHBondContact O-CD 3.1Å; M447-R568 PolarHBondContact O-NH1 3.4Å; M447-R568 HydrophobicContact SD-CG 4.4Å; D448-R568 VanDerWaalsContact C-NH1 3.31Å; D448-R568 WeakPolarHBondContact O-CD 3.49Å; D448-R568 PolarHBondContact O-NH1 2.7Å; E564-R568 WeakPolarHBondContact O-CA 3.23Å; E564-R568 PolarHBondContact O-N 2.65Å
569	V	93.9	Very high	92.9	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.048	14%	0.141	C	C	.	.			trans	-93.8	167.4	-174.2	67.9	0	0	0	0	111.4	R441 G567 L576 F589 Y593	R441-V569 PolarHBondContact NH1-O 2.89Å; G567-V569 PolarHBondContact O-N 2.81Å; V569-L576 HydrophobicContact CG1-CB 4.43Å; V569-L576 HydrophobicContact CG1-CD1 3.83Å; V569-F589 HydrophobicContact CG1-CE2 4.25Å; V569-Y593 HydrophobicContact CB-CD1 3.85Å; V569-Y593 HydrophobicContact CB-CE1 4.05Å; V569-Y593 HydrophobicContact CB-CG 4.42Å; V569-Y593 HydrophobicContact CG2-CD1 3.78Å; V569-Y593 HydrophobicContact CG2-CE1 3.49Å; V569-Y593 VanDerWaalsContact CG2-CE1 3.49Å; V569-Y593 HydrophobicContact CG2-CE2 4.37Å; V569-Y593 HydrophobicContact CG2-CG 4.35Å
570	N	92.9	Very high	92	Very high	46 Å²	46	33.6 Å²	33.6	25%	0.246	17%	0.17	C	C	.	.			trans	-85.7	138.3	168.2	-162.3	16.3	0	0	0	110	R441 D572 Y575 L576	R441-N570 VanDerWaalsContact CZ-OD1 3.3Å; R441-N570 PolarHBondContact NE-OD1 3.09Å; R441-N570 VanDerWaalsContact NH2-CA 3.3Å; R441-N570 VanDerWaalsContact NH2-CB 3.34Å; R441-N570 VanDerWaalsContact NH2-CG 3.28Å; R441-N570 PolarHBondContact NH2-OD1 2.95Å; N570-D572 HydrophobicContact CB-CB 4.39Å; N570-D572 WeakPolarHBondContact ND2-CB 3.43Å; N570-D572 PolarHBondContact O-N 2.96Å; N570-Y575 HydrophobicContact CB-CD2 4.09Å; N570-Y575 HydrophobicContact CB-CG 4.12Å; N570-L576 VanDerWaalsContact O-CB 3.24Å; N570-L576 WeakPolarHBondContact O-CB 2.88Å; N570-L576 PolarHBondContact O-N 3.39Å
571	A	91.2	Very high	91.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-67.6	-14.3	177.8	0	0	0	0	0	114.1	W538 I560 E564	W538-A571 HydrophobicContact CD2-CB 4Å; W538-A571 VanDerWaalsContact CE2-CB 3.41Å; W538-A571 HydrophobicContact CE3-CB 4.42Å; W538-A571 HydrophobicContact CH2-CB 3.82Å; W538-A571 HydrophobicContact CZ2-CB 3.33Å; W538-A571 HydrophobicContact CZ3-CB 4.33Å; I560-A571 HydrophobicContact CG2-CB 3.8Å; E564-A571 HydrophobicContact CG-CB 4.05Å
572	D	88.6	Confident	90.6	Very high	27 Å²	27	41.4 Å²	41.4	14%	0.144	21%	0.208	C	C	.	.	S	Bend	trans	-52.3	126.7	171.7	-169.1	-48.2	0	0	0	110.6	Y537 N570 D574 Y575 L576	Y537-D572 HydrophobicContact CD2-CB 4.02Å; Y537-D572 HydrophobicContact CE2-CB 3.65Å; Y537-D572 VanDerWaalsContact CE2-OD2 3.31Å; Y537-D572 WeakPolarHBondContact CE2-OD2 3.47Å; Y537-D572 VanDerWaalsContact CZ-OD2 3.27Å; Y537-D572 PolarHBondContact OH-OD2 3.22Å; N570-D572 HydrophobicContact CB-CB 4.39Å; N570-D572 WeakPolarHBondContact ND2-CB 3.43Å; N570-D572 PolarHBondContact O-N 2.96Å; D572-D574 PolarHBondContact O-N 3.09Å; D572-D574 VanDerWaalsContact O-N 3.1Å; D572-D574 PolarHBondContact OD1-N 3.38Å; D572-Y575 HydrophobicContact CB-CD2 4.05Å; D572-Y575 PolarHBondContact O-N 2.85Å; D572-L576 PolarHBondContact O-N 3.42Å
573	P	83.3	Confident	90.2	Very high	60 Å²	60	41.5 Å²	41.5	39%	0.39	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.1	-177.6	-25.8	35	0	0	0	115.7	Y537 Y575 R578	Y537-P573 HydrophobicContact CD1-CG 4.41Å; P573-Y575 PolarHBondContact O-N 3.25Å; P573-R578 HydrophobicContact CB-CG 3.95Å; P573-R578 HydrophobicContact CG-CG 4.19Å
574	D	82.9	Confident	90	Very high	109 Å²	109	42.2 Å²	42.2	58%	0.583	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-12.6	172.9	-70.9	-15.6	0	0	0	111.6	K75 D572	K75-D574 IonicContact NZ-OD2 3.42Å; K75-D574 PolarHBondContact NZ-OD2 3.31Å; D572-D574 PolarHBondContact O-N 3.09Å; D572-D574 VanDerWaalsContact O-N 3.1Å; D572-D574 PolarHBondContact OD1-N 3.38Å
575	Y	88.5	Confident	89.8	Confident	120 Å²	120	45.2 Å²	45.2	47%	0.471	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-49.2	178.5	-58	-96.1	0	0	0	113.5	N570 D572 P573 P577 Y593	N570-Y575 HydrophobicContact CB-CD2 4.09Å; N570-Y575 HydrophobicContact CB-CG 4.12Å; D572-Y575 HydrophobicContact CB-CD2 4.05Å; D572-Y575 PolarHBondContact O-N 2.85Å; P573-Y575 PolarHBondContact O-N 3.25Å; Y575-P577 WeakPolarHBondContact O-CD 3.46Å; Y575-Y593 WeakPolarHBondContact O-CE2 3.19Å; Y575-Y593 VanDerWaalsContact O-CZ 3.23Å; Y575-Y593 PolarHBondContact O-OH 3.03Å; Y575-Y593 VanDerWaalsContact O-OH 3.1Å
576	L	91.6	Very high	89.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-80.8	120.5	177	176.1	67.4	0	0	0	109.2	I560 C563 V569 N570 D572 R578 L584 F589	I560-L576 HydrophobicContact CD1-CD2 4.09Å; I560-L576 HydrophobicContact CG2-CD2 3.8Å; C563-L576 HydrophobicContact CB-CD1 3.75Å; C563-L576 HydrophobicContact CB-CD2 4.38Å; V569-L576 HydrophobicContact CG1-CB 4.43Å; V569-L576 HydrophobicContact CG1-CD1 3.83Å; N570-L576 VanDerWaalsContact O-CB 3.24Å; N570-L576 WeakPolarHBondContact O-CB 2.88Å; N570-L576 PolarHBondContact O-N 3.39Å; D572-L576 PolarHBondContact O-N 3.42Å; L576-R578 WeakPolarHBondContact O-CG 3.46Å; L576-R578 PolarHBondContact O-N 3.16Å; L576-R578 VanDerWaalsContact O-N 3.12Å; L576-L584 HydrophobicContact CD1-CD1 4.14Å; L576-L584 HydrophobicContact CG-CD1 4.47Å; L576-F589 HydrophobicContact CD1-CD2 3.63Å; L576-F589 HydrophobicContact CD1-CE2 3.78Å
577	P	90.9	Very high	89.4	Confident	22 Å²	22	49.9 Å²	49.9	14%	0.143	26%	0.258	C	S	.	.			trans	-61.7	117.2	-178	-27.6	38.8	0	0	0	112.4	Y575 N585 Y593	Y575-P577 WeakPolarHBondContact O-CD 3.46Å; P577-N585 HydrophobicContact CB-CB 3.84Å; P577-N585 PolarHBondContact O-N 3.31Å; P577-Y593 HydrophobicContact CG-CD2 3.88Å; P577-Y593 HydrophobicContact CG-CE2 3.81Å
578	R	90.3	Very high	89.2	Confident	37 Å²	37	49.6 Å²	49.6	14%	0.14	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-112.3	150.4	175.6	-57.3	-58.6	-77.3	-88.7	-1.4	111.3	Y537 P573 L576 F582 G583	Y537-R578 PolarHBondContact O-NH1 3.36Å; P573-R578 HydrophobicContact CB-CG 3.95Å; P573-R578 HydrophobicContact CG-CG 4.19Å; L576-R578 WeakPolarHBondContact O-CG 3.46Å; L576-R578 PolarHBondContact O-N 3.16Å; L576-R578 VanDerWaalsContact O-N 3.12Å; R578-F582 PolarHBondContact NE-O 3.04Å; R578-F582 PolarHBondContact NH2-O 2.87Å; R578-G583 WeakPolarHBondContact CA-O 3.4Å; R578-G583 WeakPolarHBondContact CD-O 3.4Å; R578-G583 PolarHBondContact NE-O 3.11Å
579	A	86.1	Confident	89.3	Confident	32 Å²	32	44.5 Å²	44.5	26%	0.264	24%	0.236	S	C	.	.			trans	-88.8	163.8	171.6	0	0	0	0	0	111.1	D581 F582 G583	A579-D581 VanDerWaalsContact CB-OD1 3.25Å; A579-D581 WeakPolarHBondContact CB-OD1 3.41Å; A579-D581 PolarHBondContact O-N 3.16Å; A579-D581 VanDerWaalsContact O-N 3.16Å; A579-F582 PolarHBondContact O-N 2.85Å; A579-G583 PolarHBondContact N-O 2.96Å
580	M	78.6	Confident	89.2	Confident	125 Å²	125	44.9 Å²	44.9	62%	0.616	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.2	-176.7	-55.7	-65.2	-77.1	0	0	113.4	C7 W64 F582	C7-M580 HydrophobicContact CB-CE 3.94Å; C7-M580 HydrophobicContact CB-SD 4.3Å; W64-M580 HydrophobicContact CH2-CE 3.55Å; W64-M580 HydrophobicContact CH2-SD 3.27Å; W64-M580 WeakPolarHBondContact CH2-SD 3.33Å; W64-M580 HydrophobicContact CZ2-CE 4.42Å; W64-M580 HydrophobicContact CZ2-SD 3.57Å; W64-M580 VanDerWaalsContact CZ2-SD 3.57Å; W64-M580 HydrophobicContact CZ3-CE 3.78Å; W64-M580 HydrophobicContact CZ3-SD 4.01Å; M580-F582 VanDerWaalsContact C-N 3.27Å
581	D	82.4	Confident	89.2	Confident	72 Å²	72	49.4 Å²	49.4	39%	0.385	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	11.4	176.7	52	29.4	0	0	0	113.4	A579 G583 L612	A579-D581 VanDerWaalsContact CB-OD1 3.25Å; A579-D581 WeakPolarHBondContact CB-OD1 3.41Å; A579-D581 PolarHBondContact O-N 3.16Å; A579-D581 VanDerWaalsContact O-N 3.16Å; D581-G583 PolarHBondContact O-N 3.43Å; D581-G583 WeakPolarHBondContact OD1-CA 3.28Å; D581-G583 PolarHBondContact OD1-N 3.26Å; D581-L612 HydrophobicContact CB-CD1 4.2Å; D581-L612 HydrophobicContact CB-CD2 4.4Å; D581-L612 VanDerWaalsContact OD2-CD1 3.31Å; D581-L612 WeakPolarHBondContact OD2-CD1 3.43Å
582	F	85.5	Confident	89.1	Confident	92 Å²	92	54.7 Å²	54.7	40%	0.404	29%	0.286	S	S	.	.	S	Bend	trans	66.2	9.7	-172	-48.6	-87.3	0	0	0	114.9	P541 I544 H545 R578 A579 M580	P541-F582 HydrophobicContact CB-CB 4.4Å; P541-F582 HydrophobicContact CG-CB 4.22Å; I544-F582 HydrophobicContact CD1-CB 4.02Å; I544-F582 HydrophobicContact CD1-CD1 4.13Å; I544-F582 HydrophobicContact CD1-CG 4.03Å; I544-F582 HydrophobicContact CG2-CD2 4.43Å; I544-F582 HydrophobicContact CG2-CE2 4.27Å; I544-F582 HydrophobicContact CG2-CZ 4.32Å; H545-F582 AromaticContact CE1-CD2 3.73Å; H545-F582 AromaticContact CE1-CE2 3.91Å; H545-F582 AromaticContact NE2-CE2 4Å; R578-F582 PolarHBondContact NE-O 3.04Å; R578-F582 PolarHBondContact NH2-O 2.87Å; A579-F582 PolarHBondContact O-N 2.85Å; M580-F582 VanDerWaalsContact C-N 3.27Å
583	G	88.4	Confident	89.3	Confident	3 Å²	3	56.9 Å²	56.9	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	-69	-179.2	170.5	0	0	0	0	0	113.9	R578 A579 D581	R578-G583 WeakPolarHBondContact CA-O 3.4Å; R578-G583 WeakPolarHBondContact CD-O 3.4Å; R578-G583 PolarHBondContact NE-O 3.11Å; A579-G583 PolarHBondContact N-O 2.96Å; D581-G583 PolarHBondContact O-N 3.43Å; D581-G583 WeakPolarHBondContact OD1-CA 3.28Å; D581-G583 PolarHBondContact OD1-N 3.26Å
584	L	94.1	Very high	89.7	Confident	15 Å²	15	56.8 Å²	56.8	8%	0.079	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-82.3	128.6	168.6	177.8	69.6	0	0	0	109.4	L576 I586 F603 C610	L576-L584 HydrophobicContact CD1-CD1 4.14Å; L576-L584 HydrophobicContact CG-CD1 4.47Å; L584-I586 HydrophobicContact CD2-CG1 4.31Å; L584-I586 HydrophobicContact CG-CG1 4.46Å; L584-I586 PolarHBondContact O-N 3.03Å; L584-F603 HydrophobicContact CD2-CE2 4.33Å; L584-F603 HydrophobicContact CD2-CZ 4.42Å; L584-C610 HydrophobicContact CB-CB 3.79Å; L584-C610 HydrophobicContact CD2-CB 4.23Å
585	N	94.2	Very high	90.1	Very high	62 Å²	62	53.1 Å²	53.1	33%	0.332	27%	0.267	S	S	.	.			trans	-80.5	97.8	168	177.6	-6.9	0	0	0	108.7	P577 S587 G588 F589	P577-N585 HydrophobicContact CB-CB 3.84Å; P577-N585 PolarHBondContact O-N 3.31Å; N585-S587 PolarHBondContact OD1-N 3.31Å; N585-G588 PolarHBondContact OD1-N 2.83Å; N585-F589 WeakPolarHBondContact O-CB 3.49Å; N585-F589 PolarHBondContact O-N 2.98Å
586	I	93.5	Very high	90	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.185	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-48.8	-175	-64.2	171.1	0	0	0	111.2	L584 F589 L590 F603 A607 F651	L584-I586 HydrophobicContact CD2-CG1 4.31Å; L584-I586 HydrophobicContact CG-CG1 4.46Å; L584-I586 PolarHBondContact O-N 3.03Å; I586-F589 PolarHBondContact O-N 3.39Å; I586-L590 HydrophobicContact CG2-CD1 3.86Å; I586-L590 HydrophobicContact CG2-CG 4.29Å; I586-L590 WeakPolarHBondContact O-CB 3.45Å; I586-L590 WeakPolarHBondContact O-CG 3.47Å; I586-L590 PolarHBondContact O-N 3.31Å; I586-F603 HydrophobicContact CG2-CE1 4.12Å; I586-F603 HydrophobicContact CG2-CZ 4.32Å; I586-A607 HydrophobicContact CD1-CB 4.2Å; I586-A607 HydrophobicContact CG1-CB 4.48Å; I586-F651 HydrophobicContact CD1-CE2 4.4Å; I586-F651 HydrophobicContact CG2-CE2 4.11Å; I586-F651 HydrophobicContact CG2-CZ 3.68Å
587	S	91.3	Very high	90	Very high	62 Å²	62	60.3 Å²	60.3	43%	0.434	32%	0.315	S	S	.	.	H	α-helix	trans	-61.3	-49.7	-178.9	-50.2	0	0	0	0	111.6	N585 F589 L590 E591	N585-S587 PolarHBondContact OD1-N 3.31Å; S587-F589 VanDerWaalsContact C-N 3.26Å; S587-F589 PolarHBondContact O-N 3.22Å; S587-L590 WeakPolarHBondContact O-CB 3.4Å; S587-L590 PolarHBondContact O-N 2.96Å; S587-E591 WeakPolarHBondContact O-CG 3.39Å; S587-E591 PolarHBondContact O-N 3.28Å
588	G	91.4	Very high	90.1	Very high	7 Å²	7	59.9 Å²	59.9	7%	0.072	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-33.1	178.2	0	0	0	0	0	113.1	N585 N592	N585-G588 PolarHBondContact OD1-N 2.83Å; G588-N592 WeakPolarHBondContact O-CB 3.49Å; G588-N592 PolarHBondContact O-N 2.9Å; G588-N592 PolarHBondContact O-ND2 2.85Å
589	F	94.8	Very high	90.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-70.9	-41.8	172.6	-171.5	-83	0	0	0	112.2	C563 I566 V569 L576 N585 I586 S587 E591 Y593 Y594 F603	C563-F589 HydrophobicContact CB-CD2 4.39Å; C563-F589 HydrophobicContact CB-CE2 3.73Å; C563-F589 HydrophobicContact CB-CZ 4.18Å; I566-F589 HydrophobicContact CB-CZ 4.3Å; I566-F589 HydrophobicContact CG2-CE1 4.01Å; I566-F589 HydrophobicContact CG2-CZ 4.08Å; V569-F589 HydrophobicContact CG1-CE2 4.25Å; L576-F589 HydrophobicContact CD1-CD2 3.63Å; L576-F589 HydrophobicContact CD1-CE2 3.78Å; N585-F589 WeakPolarHBondContact O-CB 3.49Å; N585-F589 PolarHBondContact O-N 2.98Å; I586-F589 PolarHBondContact O-N 3.39Å; S587-F589 VanDerWaalsContact C-N 3.26Å; S587-F589 PolarHBondContact O-N 3.22Å; F589-E591 VanDerWaalsContact C-N 3.32Å; F589-E591 PolarHBondContact O-N 2.9Å; F589-Y593 HydrophobicContact CD2-CD2 4.48Å; F589-Y593 CarbonylContact O-C 3.53Å; F589-Y593 WeakPolarHBondContact O-CA 3.3Å; F589-Y593 PolarHBondContact O-N 2.94Å; F589-Y594 PolarHBondContact O-N 3.24Å; F589-F603 HydrophobicContact CB-CZ 4.3Å; F589-F603 AromaticContact CD1-CD2 3.96Å; F589-F603 HydrophobicContact CD1-CD2 3.96Å; F589-F603 HydrophobicContact CD1-CE1 4.37Å; F589-F603 AromaticContact CD1-CE2 3.2Å; F589-F603 HydrophobicContact CD1-CE2 3.2Å; F589-F603 AromaticContact CD1-CZ 3.45Å; F589-F603 HydrophobicContact CD1-CZ 3.45Å; F589-F603 VanDerWaalsContact CD1-CZ 3.45Å; F589-F603 AromaticContact CE1-CD2 3.72Å; F589-F603 HydrophobicContact CE1-CD2 3.72Å; F589-F603 AromaticContact CE1-CE2 3.4Å; F589-F603 HydrophobicContact CE1-CE2 3.4Å; F589-F603 HydrophobicContact CE1-CZ 4.1Å; F589-F603 AromaticContact CG-CE2 3.95Å; F589-F603 HydrophobicContact CG-CE2 3.95Å; F589-F603 HydrophobicContact CG-CZ 4.11Å; F589-F603 HydrophobicContact CZ-CE2 4.28Å
590	L	93.6	Very high	90.4	Very high	15 Å²	15	59.2 Å²	59.2	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-37.1	178	-75.7	176.5	0	0	0	112.8	I586 S587 Y594 F603 F651 W652 H655 I657	I586-L590 HydrophobicContact CG2-CD1 3.86Å; I586-L590 HydrophobicContact CG2-CG 4.29Å; I586-L590 WeakPolarHBondContact O-CB 3.45Å; I586-L590 WeakPolarHBondContact O-CG 3.47Å; I586-L590 PolarHBondContact O-N 3.31Å; S587-L590 WeakPolarHBondContact O-CB 3.4Å; S587-L590 PolarHBondContact O-N 2.96Å; L590-Y594 HydrophobicContact CD2-CD1 4.21Å; L590-Y594 HydrophobicContact CD2-CD2 3.89Å; L590-Y594 HydrophobicContact CD2-CE2 4.46Å; L590-Y594 HydrophobicContact CD2-CG 3.75Å; L590-F603 HydrophobicContact CD1-CE1 4.32Å; L590-F603 HydrophobicContact CD2-CD1 3.67Å; L590-F603 HydrophobicContact CD2-CE1 3.35Å; L590-F603 HydrophobicContact CD2-CZ 4.24Å; L590-F603 HydrophobicContact CG-CE1 3.72Å; L590-F603 HydrophobicContact CG-CZ 4.36Å; L590-F651 HydrophobicContact CD1-CE1 4.48Å; L590-F651 HydrophobicContact CD1-CZ 4.45Å; L590-W652 HydrophobicContact CD1-CH2 4.38Å; L590-W652 HydrophobicContact CD1-CZ3 4.01Å; L590-W652 HydrophobicContact CD2-CH2 3.62Å; L590-W652 HydrophobicContact CD2-CZ3 4.09Å; L590-H655 HydrophobicContact CD1-CB 4.33Å; L590-I657 HydrophobicContact CB-CD1 4Å; L590-I657 HydrophobicContact CB-CG1 4.46Å; L590-I657 HydrophobicContact CD1-CD1 4.13Å; L590-I657 HydrophobicContact CD1-CG1 4.16Å; L590-I657 HydrophobicContact CD2-CD1 4.19Å; L590-I657 HydrophobicContact CG-CD1 4.33Å
591	E	91.1	Very high	91	Very high	142 Å²	142	53.3 Å²	53.3	66%	0.664	28%	0.28	S	S	*	.	H	α-helix	trans	-75	-45	178.7	-70.9	154.3	-156.9	0	0	112.6	S587 F589	S587-E591 WeakPolarHBondContact O-CG 3.39Å; S587-E591 PolarHBondContact O-N 3.28Å; F589-E591 VanDerWaalsContact C-N 3.32Å; F589-E591 PolarHBondContact O-N 2.9Å
592	N	90.1	Very high	91.7	Very high	110 Å²	110	49.9 Å²	49.9	59%	0.588	26%	0.262	S	S	*	.	H	α-helix	trans	-102.8	-25	-166.1	-63.4	-80.6	0	0	0	114.7	G588	G588-N592 WeakPolarHBondContact O-CB 3.49Å; G588-N592 PolarHBondContact O-N 2.9Å; G588-N592 PolarHBondContact O-ND2 2.85Å
593	Y	93.1	Very high	92.3	Very high	74 Å²	74	45.5 Å²	45.5	29%	0.29	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-15.4	-168	-64.1	-73.2	0	0	0	115.1	G567 V569 Y575 P577 F589 P595	G567-Y593 WeakPolarHBondContact CA-O 3.28Å; V569-Y593 HydrophobicContact CB-CD1 3.85Å; V569-Y593 HydrophobicContact CB-CE1 4.05Å; V569-Y593 HydrophobicContact CB-CG 4.42Å; V569-Y593 HydrophobicContact CG2-CD1 3.78Å; V569-Y593 HydrophobicContact CG2-CE1 3.49Å; V569-Y593 VanDerWaalsContact CG2-CE1 3.49Å; V569-Y593 HydrophobicContact CG2-CE2 4.37Å; V569-Y593 HydrophobicContact CG2-CG 4.35Å; Y575-Y593 WeakPolarHBondContact O-CE2 3.19Å; Y575-Y593 VanDerWaalsContact O-CZ 3.23Å; Y575-Y593 PolarHBondContact O-OH 3.03Å; Y575-Y593 VanDerWaalsContact O-OH 3.1Å; P577-Y593 HydrophobicContact CG-CD2 3.88Å; P577-Y593 HydrophobicContact CG-CE2 3.81Å; F589-Y593 HydrophobicContact CD2-CD2 4.48Å; F589-Y593 CarbonylContact O-C 3.53Å; F589-Y593 WeakPolarHBondContact O-CA 3.3Å; F589-Y593 PolarHBondContact O-N 2.94Å; Y593-P595 VanDerWaalsContact O-CD 3.25Å; Y593-P595 WeakPolarHBondContact O-CD 3.42Å
594	Y	92.4	Very high	92.7	Very high	57 Å²	57	45.4 Å²	45.4	22%	0.224	24%	0.242	C	C	.	.			trans	-75	115.1	-178.9	179.7	-98.4	0	0	0	111.9	F589 L590 C598 F603 W652	F589-Y594 PolarHBondContact O-N 3.24Å; L590-Y594 HydrophobicContact CD2-CD1 4.21Å; L590-Y594 HydrophobicContact CD2-CD2 3.89Å; L590-Y594 HydrophobicContact CD2-CE2 4.46Å; L590-Y594 HydrophobicContact CD2-CG 3.75Å; Y594-C598 HydrophobicContact CD2-CB 4.38Å; Y594-C598 HydrophobicContact CE2-CB 3.63Å; Y594-F603 HydrophobicContact CD2-CB 4.05Å; Y594-F603 HydrophobicContact CD2-CD1 4.1Å; Y594-F603 AromaticContact CD2-CG 3.99Å; Y594-F603 HydrophobicContact CD2-CG 3.99Å; Y594-F603 HydrophobicContact CE2-CB 3.69Å; Y594-F603 HydrophobicContact CE2-CD1 4.21Å; Y594-F603 HydrophobicContact CE2-CG 4.09Å; Y594-W652 HydrophobicContact CE1-CH2 4.3Å; Y594-W652 HydrophobicContact CE1-CZ2 4.5Å; Y594-W652 HydrophobicContact CE2-CZ2 4.5Å
595	P	91	Very high	92.9	Very high	32 Å²	32	44.7 Å²	44.7	21%	0.208	24%	0.238	C	C	.	.			trans	-83.5	142.6	-175.9	32.3	-32.3	0	0	0	111.8	W453 I566 Y593 K597 C598	W453-P595 HydrophobicContact CH2-CG 3.38Å; W453-P595 HydrophobicContact CZ2-CB 4.11Å; W453-P595 HydrophobicContact CZ2-CG 3.39Å; I566-P595 HydrophobicContact CG2-CG 4.29Å; Y593-P595 VanDerWaalsContact O-CD 3.25Å; Y593-P595 WeakPolarHBondContact O-CD 3.42Å; P595-K597 PolarHBondContact O-N 2.91Å; P595-C598 HydrophobicContact CG-CB 4.24Å; P595-C598 WeakPolarHBondContact O-CB 3.47Å; P595-C598 PolarHBondContact O-N 3.46Å
596	P	86.3	Confident	93.1	Very high	134 Å²	134	41.8 Å²	41.8	87%	0.87	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.7	-172.4	26.6	-36.4	0	0	0	114.7
597	K	90.7	Very high	93.2	Very high	138 Å²	138	40.5 Å²	40.5	60%	0.6	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	6.2	176.8	-64	-179.2	-178	173.4	0	113.3	W453 P595	W453-K597 PolarHBondContact NE1-O 3.26Å; W453-K597 VanDerWaalsContact NE1-O 3.12Å; P595-K597 PolarHBondContact O-N 2.91Å
598	C	93.3	Very high	93.5	Very high	13 Å²	13	39.5 Å²	39.5	9%	0.088	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-60.1	131.2	-178.4	-162.7	0	0	0	0	111.1	W453 Y594 P595	W453-C598 HydrophobicContact CH2-CB 4.11Å; W453-C598 HydrophobicContact CZ2-CB 4.33Å; W453-C598 HydrophobicContact CZ3-CB 4.5Å; Y594-C598 HydrophobicContact CD2-CB 4.38Å; Y594-C598 HydrophobicContact CE2-CB 3.63Å; P595-C598 HydrophobicContact CG-CB 4.24Å; P595-C598 WeakPolarHBondContact O-CB 3.47Å; P595-C598 PolarHBondContact O-N 3.46Å
599	P	94.1	Very high	93.8	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.039	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-57.9	149.7	177.8	-28.1	35	0	0	0	113.2	W453 F602 L630 L634	W453-P599 HydrophobicContact CB-CG 3.75Å; W453-P599 VanDerWaalsContact CD2-CD 3.42Å; W453-P599 HydrophobicContact CD2-CG 4.1Å; W453-P599 HydrophobicContact CE3-CG 4Å; W453-P599 HydrophobicContact CG-CG 3.99Å; P599-F602 HydrophobicContact CB-CB 4.25Å; P599-F602 PolarHBondContact O-N 3.28Å; P599-L630 HydrophobicContact CB-CD1 4.07Å; P599-L634 HydrophobicContact CB-CD1 4.12Å; P599-L634 HydrophobicContact CB-CD2 4.09Å; P599-L634 HydrophobicContact CG-CD1 3.73Å; P599-L634 HydrophobicContact CG-CD2 4.03Å; P599-L634 HydrophobicContact CG-CG 4.47Å
600	P	88	Confident	93.9	Very high	49 Å²	49	39.4 Å²	39.4	32%	0.318	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	147.2	170.3	-24	33.7	0	0	0	111.5	F602 L630 L640	P600-F602 PolarHBondContact O-N 2.85Å; P600-L630 VanDerWaalsContact O-CD1 3.31Å; P600-L630 WeakPolarHBondContact O-CD1 3.32Å; P600-L640 HydrophobicContact CB-CD1 3.95Å
601	A	92.7	Very high	94.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-13.5	-177.4	0	0	0	0	0	118.3	F603 P604 I605 L644 H648	A601-F603 PolarHBondContact O-N 3.45Å; A601-P604 WeakPolarHBondContact O-CD 3.48Å; A601-I605 WeakPolarHBondContact O-CG1 3.37Å; A601-I605 PolarHBondContact O-N 2.91Å; A601-L644 HydrophobicContact CB-CD1 3.43Å; A601-L644 VanDerWaalsContact CB-CD1 3.43Å; A601-L644 HydrophobicContact CB-CD2 4.26Å; A601-L644 HydrophobicContact CB-CG 3.55Å; A601-H648 HydrophobicContact CB-CB 3.98Å; A601-H648 PolarHBondContact N-ND1 3.24Å
602	F	97.1	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-46	-174.1	-166.1	-142.1	0	0	0	113.4	W453 R456 V457 A460 L562 I565 I566 P599 P600 A606 L627 L630	W453-F602 HydrophobicContact CE3-CD1 4.17Å; W453-F602 HydrophobicContact CE3-CE1 4.22Å; W453-F602 AromaticContact CZ3-CD1 3.95Å; W453-F602 HydrophobicContact CZ3-CD1 3.95Å; W453-F602 AromaticContact CZ3-CE1 3.98Å; W453-F602 HydrophobicContact CZ3-CE1 3.98Å; R456-F602 HydrophobicContact CB-CE1 4.44Å; V457-F602 HydrophobicContact CG2-CD1 4.27Å; V457-F602 HydrophobicContact CG2-CD2 4.06Å; V457-F602 HydrophobicContact CG2-CE1 4.17Å; V457-F602 HydrophobicContact CG2-CE2 3.97Å; V457-F602 HydrophobicContact CG2-CG 4.22Å; V457-F602 HydrophobicContact CG2-CZ 4.03Å; A460-F602 HydrophobicContact CB-CE2 3.93Å; A460-F602 HydrophobicContact CB-CZ 4.14Å; L562-F602 HydrophobicContact CD2-CE2 4.08Å; L562-F602 HydrophobicContact CD2-CZ 4.26Å; I565-F602 HydrophobicContact CG2-CE1 4.49Å; I565-F602 HydrophobicContact CG2-CZ 4.39Å; I566-F602 HydrophobicContact CD1-CD1 3.86Å; I566-F602 HydrophobicContact CD1-CE1 4.06Å; I566-F602 HydrophobicContact CD1-CG 4.27Å; I566-F602 HydrophobicContact CG1-CD1 3.61Å; I566-F602 HydrophobicContact CG1-CE1 3.5Å; I566-F602 VanDerWaalsContact CG1-CE1 3.5Å; I566-F602 HydrophobicContact CG1-CG 4.5Å; I566-F602 HydrophobicContact CG1-CZ 4.3Å; P599-F602 HydrophobicContact CB-CB 4.25Å; P599-F602 PolarHBondContact O-N 3.28Å; P600-F602 PolarHBondContact O-N 2.85Å; F602-A606 PolarHBondContact O-N 2.95Å; F602-L627 HydrophobicContact CD2-CD2 3.97Å; F602-L627 HydrophobicContact CE2-CD2 3.78Å; F602-L630 HydrophobicContact CB-CD2 3.79Å; F602-L630 HydrophobicContact CD2-CD2 3.81Å; F602-L630 HydrophobicContact CG-CD2 4.06Å
603	F	97.3	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.2	-40.9	172.9	-178.3	-113.2	0	0	0	113.5	I566 L584 I586 F589 L590 Y594 A601 I605 A606 A607 F651	I566-F603 HydrophobicContact CD1-CB 4.14Å; I566-F603 HydrophobicContact CD1-CD2 4.12Å; L584-F603 HydrophobicContact CD2-CE2 4.33Å; L584-F603 HydrophobicContact CD2-CZ 4.42Å; I586-F603 HydrophobicContact CG2-CE1 4.12Å; I586-F603 HydrophobicContact CG2-CZ 4.32Å; F589-F603 HydrophobicContact CB-CZ 4.3Å; F589-F603 AromaticContact CD1-CD2 3.96Å; F589-F603 HydrophobicContact CD1-CD2 3.96Å; F589-F603 HydrophobicContact CD1-CE1 4.37Å; F589-F603 AromaticContact CD1-CE2 3.2Å; F589-F603 HydrophobicContact CD1-CE2 3.2Å; F589-F603 AromaticContact CD1-CZ 3.45Å; F589-F603 HydrophobicContact CD1-CZ 3.45Å; F589-F603 VanDerWaalsContact CD1-CZ 3.45Å; F589-F603 AromaticContact CE1-CD2 3.72Å; F589-F603 HydrophobicContact CE1-CD2 3.72Å; F589-F603 AromaticContact CE1-CE2 3.4Å; F589-F603 HydrophobicContact CE1-CE2 3.4Å; F589-F603 HydrophobicContact CE1-CZ 4.1Å; F589-F603 AromaticContact CG-CE2 3.95Å; F589-F603 HydrophobicContact CG-CE2 3.95Å; F589-F603 HydrophobicContact CG-CZ 4.11Å; F589-F603 HydrophobicContact CZ-CE2 4.28Å; L590-F603 HydrophobicContact CD1-CE1 4.32Å; L590-F603 HydrophobicContact CD2-CD1 3.67Å; L590-F603 HydrophobicContact CD2-CE1 3.35Å; L590-F603 HydrophobicContact CD2-CZ 4.24Å; L590-F603 HydrophobicContact CG-CE1 3.72Å; L590-F603 HydrophobicContact CG-CZ 4.36Å; Y594-F603 HydrophobicContact CD2-CB 4.05Å; Y594-F603 HydrophobicContact CD2-CD1 4.1Å; Y594-F603 AromaticContact CD2-CG 3.99Å; Y594-F603 HydrophobicContact CD2-CG 3.99Å; Y594-F603 HydrophobicContact CE2-CB 3.69Å; Y594-F603 HydrophobicContact CE2-CD1 4.21Å; Y594-F603 HydrophobicContact CE2-CG 4.09Å; A601-F603 PolarHBondContact O-N 3.45Å; F603-I605 VanDerWaalsContact C-N 3.27Å; F603-I605 PolarHBondContact O-N 3.12Å; F603-A606 HydrophobicContact CD2-CB 4.3Å; F603-A606 WeakPolarHBondContact O-CA 3.4Å; F603-A606 WeakPolarHBondContact O-CB 3.49Å; F603-A606 PolarHBondContact O-N 2.92Å; F603-A607 PolarHBondContact O-N 2.87Å; F603-F651 HydrophobicContact CD1-CE1 4.08Å; F603-F651 AromaticContact CD1-CZ 3.87Å; F603-F651 HydrophobicContact CD1-CZ 3.87Å; F603-F651 HydrophobicContact CE1-CE1 4.2Å; F603-F651 AromaticContact CE1-CZ 3.63Å; F603-F651 HydrophobicContact CE1-CZ 3.63Å
604	P	96.9	Very high	94.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-51.7	-38.1	168.2	-32.3	34.9	0	0	0	115	A601 L608 L647 F651	A601-P604 WeakPolarHBondContact O-CD 3.48Å; P604-L608 WeakPolarHBondContact O-CB 3.42Å; P604-L608 PolarHBondContact O-N 2.92Å; P604-L647 HydrophobicContact CB-CG 4.15Å; P604-F651 HydrophobicContact CB-CB 3.92Å; P604-F651 HydrophobicContact CB-CD1 4.42Å; P604-F651 HydrophobicContact CB-CD2 4.26Å; P604-F651 HydrophobicContact CB-CG 3.93Å; P604-F651 HydrophobicContact CG-CB 3.94Å; P604-F651 HydrophobicContact CG-CD1 3.75Å; P604-F651 HydrophobicContact CG-CD2 4.43Å; P604-F651 HydrophobicContact CG-CE1 4.42Å; P604-F651 HydrophobicContact CG-CG 3.76Å
605	I	97.9	Very high	94.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-50	170.7	-67.7	165.2	0	0	0	110.4	L562 A601 F603 A607 L608 C609 L623 W626 L627 L644 L647	L562-I605 HydrophobicContact CD1-CG2 3.99Å; A601-I605 WeakPolarHBondContact O-CG1 3.37Å; A601-I605 PolarHBondContact O-N 2.91Å; F603-I605 VanDerWaalsContact C-N 3.27Å; F603-I605 PolarHBondContact O-N 3.12Å; I605-A607 PolarHBondContact O-N 2.94Å; I605-L608 PolarHBondContact O-N 3.48Å; I605-C609 PolarHBondContact O-N 3.13Å; I605-C609 PolarHBondContact O-SG 3.46Å; I605-L623 HydrophobicContact CG2-CD2 3.45Å; I605-L623 VanDerWaalsContact CG2-CD2 3.45Å; I605-W626 HydrophobicContact CD1-CB 4.32Å; I605-W626 HydrophobicContact CG1-CE3 4.11Å; I605-L627 HydrophobicContact CD1-CD2 4.01Å; I605-L644 HydrophobicContact CD1-CD1 3.78Å; I605-L644 HydrophobicContact CG1-CD1 3.87Å; I605-L647 HydrophobicContact CG1-CD2 4.27Å
606	A	97.7	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-44.6	-179.9	0	0	0	0	0	112.4	L562 I566 F602 F603 C609 C610	L562-A606 HydrophobicContact CB-CB 3.56Å; L562-A606 HydrophobicContact CD1-CB 3.96Å; L562-A606 HydrophobicContact CG-CB 4.43Å; I566-A606 HydrophobicContact CD1-CB 4.1Å; F602-A606 PolarHBondContact O-N 2.95Å; F603-A606 HydrophobicContact CD2-CB 4.3Å; F603-A606 WeakPolarHBondContact O-CA 3.4Å; F603-A606 WeakPolarHBondContact O-CB 3.49Å; F603-A606 PolarHBondContact O-N 2.92Å; A606-C609 WeakPolarHBondContact O-CB 3.46Å; A606-C609 PolarHBondContact O-N 3.41Å; A606-C610 PolarHBondContact O-N 3.49Å; A606-C610 VanDerWaalsContact O-N 3.16Å; A606-C610 PolarHBondContact O-SG 2.84Å; A606-C610 VanDerWaalsContact O-SG 3.38Å
607	A	96.9	Very high	95.3	Very high	10 Å²	10	31.4 Å²	31.4	8%	0.083	16%	0.161	C	C	.	.	H	α-helix	trans	-62.8	-42.4	176.8	0	0	0	0	0	112.3	I586 F603 I605 C610 D611 F651	I586-A607 HydrophobicContact CD1-CB 4.2Å; I586-A607 HydrophobicContact CG1-CB 4.48Å; F603-A607 PolarHBondContact O-N 2.87Å; I605-A607 PolarHBondContact O-N 2.94Å; A607-C610 CarbonylContact O-C 3.51Å; A607-C610 WeakPolarHBondContact O-CA 3.24Å; A607-C610 PolarHBondContact O-N 3.31Å; A607-C610 VanDerWaalsContact O-N 3.11Å; A607-D611 PolarHBondContact O-N 3.27Å; A607-F651 HydrophobicContact CB-CD2 4.25Å; A607-F651 HydrophobicContact CB-CE2 3.58Å; A607-F651 HydrophobicContact CB-CZ 4.38Å
608	L	97.3	Very high	95.6	Very high	40 Å²	40	25.5 Å²	25.5	21%	0.209	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-35.5	177.4	-175.5	68.1	0	0	0	112.6	P604 I605 C610 D611 P618 W626 L647	P604-L608 WeakPolarHBondContact O-CB 3.42Å; P604-L608 PolarHBondContact O-N 2.92Å; I605-L608 PolarHBondContact O-N 3.48Å; L608-C610 PolarHBondContact O-N 2.91Å; L608-D611 PolarHBondContact O-N 3.27Å; L608-P618 HydrophobicContact CD2-CG 4.05Å; L608-P618 HydrophobicContact CG-CG 4.43Å; L608-W626 HydrophobicContact CD2-CH2 4.06Å; L608-W626 HydrophobicContact CD2-CZ3 3.98Å; L608-L647 HydrophobicContact CD2-CD1 3.99Å; L608-L647 HydrophobicContact CD2-CD2 4.08Å
609	C	98.1	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-33.3	170.8	-71.1	0	0	0	0	112	I555 F556 G559 I605 A606 R617	I555-C609 HydrophobicContact CG2-CB 4.17Å; F556-C609 WeakPolarHBondContact CA-O 3.25Å; G559-C609 VanDerWaalsContact CA-CB 3.48Å; I605-C609 PolarHBondContact O-N 3.13Å; I605-C609 PolarHBondContact O-SG 3.46Å; A606-C609 WeakPolarHBondContact O-CB 3.46Å; A606-C609 PolarHBondContact O-N 3.41Å; C609-R617 VanDerWaalsContact O-CD 3.3Å; C609-R617 WeakPolarHBondContact O-CD 3.46Å
610	C	97.3	Very high	95.9	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.041	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	9.3	178.9	-68.3	0	0	0	0	114.9	F556 L584 A606 A607 L608	F556-C610 HydrophobicContact CE2-CB 4.24Å; F556-C610 WeakPolarHBondContact CE2-O 3.39Å; L584-C610 HydrophobicContact CB-CB 3.79Å; L584-C610 HydrophobicContact CD2-CB 4.23Å; A606-C610 PolarHBondContact O-N 3.49Å; A606-C610 VanDerWaalsContact O-N 3.16Å; A606-C610 PolarHBondContact O-SG 2.84Å; A606-C610 VanDerWaalsContact O-SG 3.38Å; A607-C610 CarbonylContact O-C 3.51Å; A607-C610 WeakPolarHBondContact O-CA 3.24Å; A607-C610 PolarHBondContact O-N 3.31Å; A607-C610 VanDerWaalsContact O-N 3.11Å; L608-C610 PolarHBondContact O-N 2.91Å
611	D	97	Very high	96.4	Very high	42 Å²	42	28.9 Å²	28.9	23%	0.225	17%	0.165	C	C	.	.			trans	-62.6	138.6	177.5	-161.5	-57.2	0	0	0	110.9	A607 L608 D613 K616 R617	A607-D611 PolarHBondContact O-N 3.27Å; L608-D611 PolarHBondContact O-N 3.27Å; D611-D613 VanDerWaalsContact C-N 3.25Å; D611-D613 PolarHBondContact O-N 3.25Å; D611-D613 WeakPolarHBondContact OD1-CB 3.41Å; D611-D613 PolarHBondContact OD1-N 3.18Å; D611-K616 IonicContact OD1-NZ 3.38Å; D611-K616 PolarHBondContact OD1-NZ 2.78Å; D611-K616 WeakPolarHBondContact OD2-CD 3.36Å; D611-K616 IonicContact OD2-NZ 2.7Å; D611-K616 PolarHBondContact OD2-NZ 3.29Å; D611-R617 PolarHBondContact O-NE 2.83Å; D611-R617 PolarHBondContact O-NH2 3.27Å
612	L	93.5	Very high	96.6	Very high	76 Å²	76	31.5 Å²	31.5	40%	0.398	18%	0.177	S	C	.	.	S	Bend	trans	-64.5	-33.1	178.3	-59.4	174.3	0	0	0	111.6	P541 D581 A614 R617	P541-L612 HydrophobicContact CB-CD2 4.46Å; P541-L612 HydrophobicContact CG-CD2 3.9Å; D581-L612 HydrophobicContact CB-CD1 4.2Å; D581-L612 HydrophobicContact CB-CD2 4.4Å; D581-L612 VanDerWaalsContact OD2-CD1 3.31Å; D581-L612 WeakPolarHBondContact OD2-CD1 3.43Å; L612-A614 PolarHBondContact O-N 3.12Å; L612-R617 PolarHBondContact O-NH2 3.09Å
613	D	94.6	Very high	96.6	Very high	66 Å²	66	31.5 Å²	31.5	35%	0.353	18%	0.177	S	C	.	.			trans	-80.4	101.3	172.5	-176.4	1.6	0	0	0	109.8	D611 D615 K616	D611-D613 VanDerWaalsContact C-N 3.25Å; D611-D613 PolarHBondContact O-N 3.25Å; D611-D613 WeakPolarHBondContact OD1-CB 3.41Å; D611-D613 PolarHBondContact OD1-N 3.18Å; D613-D615 PolarHBondContact O-N 3.44Å; D613-D615 VanDerWaalsContact O-N 3.09Å; D613-D615 WeakPolarHBondContact OD1-CB 3.4Å; D613-D615 PolarHBondContact OD1-N 3.22Å; D613-K616 HydrophobicContact CB-CD 4Å; D613-K616 HydrophobicContact CB-CG 4.09Å; D613-K616 PolarHBondContact O-N 2.75Å; D613-K616 VanDerWaalsContact O-N 3.09Å; D613-K616 WeakPolarHBondContact OD2-CE 3.42Å
614	A	93.5	Very high	96.7	Very high	6 Å²	6	34.2 Å²	34.2	5%	0.05	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-51.9	-31.4	174.7	0	0	0	0	0	112.6	R552 L612 K616 R617	R552-A614 HydrophobicContact CB-CB 4.29Å; R552-A614 WeakPolarHBondContact CD-O 3.31Å; L612-A614 PolarHBondContact O-N 3.12Å; A614-K616 PolarHBondContact O-N 3.44Å; A614-R617 PolarHBondContact O-N 3.48Å
615	D	93.9	Very high	96.7	Very high	84 Å²	84	38.5 Å²	38.5	45%	0.449	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-66.2	-23.5	-178.9	-76.6	-60.9	0	0	0	114.6	R527 R552 D613	R527-D615 IonicContact CZ-OD2 2.65Å; R527-D615 VanDerWaalsContact CZ-OD2 3.26Å; R527-D615 IonicContact NH1-OD2 3.21Å; R527-D615 PolarHBondContact NH1-OD2 3.45Å; R527-D615 VanDerWaalsContact NH1-OD2 3.08Å; R527-D615 IonicContact NH2-OD1 3.91Å; R527-D615 PolarHBondContact NH2-OD1 3.39Å; R527-D615 IonicContact NH2-OD2 2.69Å; R527-D615 PolarHBondContact NH2-OD2 3.07Å; R552-D615 IonicContact CZ-OD1 2.66Å; R552-D615 IonicContact NH1-OD1 2.68Å; R552-D615 PolarHBondContact NH1-OD1 3.46Å; R552-D615 IonicContact NH2-OD1 2.67Å; R552-D615 PolarHBondContact NH2-OD1 2.8Å; D613-D615 PolarHBondContact O-N 3.44Å; D613-D615 VanDerWaalsContact O-N 3.09Å; D613-D615 WeakPolarHBondContact OD1-CB 3.4Å; D613-D615 PolarHBondContact OD1-N 3.22Å
616	K	95.3	Very high	96.7	Very high	114 Å²	114	39.5 Å²	39.5	50%	0.496	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-83.8	-19.4	176.9	-58.2	175.7	-159.9	152.1	0	113.8	D611 D613 A614	D611-K616 IonicContact OD1-NZ 3.38Å; D611-K616 PolarHBondContact OD1-NZ 2.78Å; D611-K616 WeakPolarHBondContact OD2-CD 3.36Å; D611-K616 IonicContact OD2-NZ 2.7Å; D611-K616 PolarHBondContact OD2-NZ 3.29Å; D613-K616 HydrophobicContact CB-CD 4Å; D613-K616 HydrophobicContact CB-CG 4.09Å; D613-K616 PolarHBondContact O-N 2.75Å; D613-K616 VanDerWaalsContact O-N 3.09Å; D613-K616 WeakPolarHBondContact OD2-CE 3.42Å; A614-K616 PolarHBondContact O-N 3.44Å
617	R	97.4	Very high	96.7	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.026	21%	0.213	C	C	.	.	S	Bend	trans	-64.7	127.5	-176.3	-61	-178	-162.6	143.5	10.1	110.3	E542 R552 I555 C609 D611 L612 A614	E542-R617 IonicContact OE1-CZ 3.75Å; E542-R617 IonicContact OE1-NH1 2.69Å; E542-R617 PolarHBondContact OE1-NH1 2.66Å; E542-R617 IonicContact OE1-NH2 3.26Å; E542-R617 PolarHBondContact OE1-NH2 3.48Å; E542-R617 IonicContact OE2-CZ 2.8Å; E542-R617 IonicContact OE2-NH1 2.8Å; E542-R617 IonicContact OE2-NH2 3.72Å; E542-R617 PolarHBondContact OE2-NH2 2.93Å; R552-R617 PolarHBondContact O-NH1 2.91Å; I555-R617 HydrophobicContact CB-CB 4.32Å; I555-R617 HydrophobicContact CD1-CB 4.32Å; I555-R617 HydrophobicContact CG2-CB 3.91Å; C609-R617 VanDerWaalsContact O-CD 3.3Å; C609-R617 WeakPolarHBondContact O-CD 3.46Å; D611-R617 PolarHBondContact O-NE 2.83Å; D611-R617 PolarHBondContact O-NH2 3.27Å; L612-R617 PolarHBondContact O-NH2 3.09Å; A614-R617 PolarHBondContact O-N 3.48Å
618	P	96.8	Very high	96.7	Very high	15 Å²	15	41.7 Å²	41.7	10%	0.097	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-70.8	133.7	-177.4	29.1	-37	0	0	0	111.1	I555 L608 L623 W626	I555-P618 WeakPolarHBondContact CD1-O 3.34Å; L608-P618 HydrophobicContact CD2-CG 4.05Å; L608-P618 HydrophobicContact CG-CG 4.43Å; P618-L623 HydrophobicContact CB-CD2 4.32Å; P618-L623 HydrophobicContact CB-CG 4.21Å; P618-L623 HydrophobicContact CG-CD1 4.23Å; P618-L623 HydrophobicContact CG-CD2 3.63Å; P618-L623 HydrophobicContact CG-CG 3.88Å; P618-L623 WeakPolarHBondContact O-CD1 3.26Å; P618-W626 HydrophobicContact CB-CH2 4.18Å; P618-W626 HydrophobicContact CB-CZ3 3.95Å; P618-W626 HydrophobicContact CG-CZ3 3.99Å
619	A	97.3	Very high	96.7	Very high	54 Å²	54	40.5 Å²	40.5	45%	0.446	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-59.3	149.2	176.8	0	0	0	0	0	111.9	S621 K622 L623	A619-S621 VanDerWaalsContact C-N 3.26Å; A619-S621 PolarHBondContact O-N 3.38Å; A619-S621 VanDerWaalsContact O-N 3.16Å; A619-K622 WeakPolarHBondContact O-CA 3.17Å; A619-K622 WeakPolarHBondContact O-CB 3.28Å; A619-K622 PolarHBondContact O-N 3.39Å; A619-L623 PolarHBondContact O-N 3.49Å
620	F	98.3	Very high	96.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-34	-177.2	-81.5	-70.8	0	0	0	114.8	A464 M467 A468 H471 L480 D554 I555 F558 K622 L623 E624	A464-F620 HydrophobicContact CB-CD1 4.2Å; M467-F620 HydrophobicContact CB-CB 4.28Å; M467-F620 HydrophobicContact CB-CD1 3.6Å; M467-F620 HydrophobicContact CB-CD2 3.6Å; M467-F620 HydrophobicContact CB-CE1 3.64Å; M467-F620 HydrophobicContact CB-CE2 3.66Å; M467-F620 HydrophobicContact CB-CG 3.56Å; M467-F620 HydrophobicContact CB-CZ 3.67Å; M467-F620 HydrophobicContact CE-CE2 3.98Å; M467-F620 HydrophobicContact CE-CZ 4.26Å; M467-F620 HydrophobicContact CG-CD1 4.39Å; M467-F620 HydrophobicContact CG-CE1 3.95Å; M467-F620 HydrophobicContact CG-CE2 4.19Å; M467-F620 HydrophobicContact CG-CZ 3.83Å; A468-F620 HydrophobicContact CB-CB 3.83Å; H471-F620 AromaticContact CE1-CD2 3.4Å; H471-F620 VanDerWaalsContact CE1-CD2 3.4Å; H471-F620 WeakPolarHBondContact CE1-CD2 3.44Å; H471-F620 AromaticContact CE1-CE2 3.53Å; H471-F620 AromaticContact ND1-CD2 3.57Å; H471-F620 AromaticContact NE2-CE2 3.96Å; L480-F620 HydrophobicContact CD2-CZ 4.14Å; D554-F620 HydrophobicContact CB-CE2 3.79Å; D554-F620 HydrophobicContact CB-CZ 4.24Å; I555-F620 HydrophobicContact CB-CE2 4.41Å; I555-F620 HydrophobicContact CG1-CD2 3.89Å; I555-F620 HydrophobicContact CG1-CE2 3.6Å; I555-F620 HydrophobicContact CG1-CZ 4.15Å; F558-F620 HydrophobicContact CB-CE1 3.7Å; F558-F620 HydrophobicContact CB-CZ 3.75Å; F558-F620 AromaticContact CD1-CE1 3.78Å; F558-F620 HydrophobicContact CD1-CE1 3.78Å; F558-F620 HydrophobicContact CD2-CE1 4.14Å; F558-F620 HydrophobicContact CE1-CE1 4.4Å; F558-F620 AromaticContact CG-CE1 3.62Å; F558-F620 HydrophobicContact CG-CE1 3.62Å; F558-F620 HydrophobicContact CG-CZ 4.21Å; F620-K622 PolarHBondContact O-N 2.97Å; F620-L623 HydrophobicContact CD1-CD1 3.95Å; F620-L623 HydrophobicContact CE1-CD1 4.29Å; F620-L623 PolarHBondContact O-N 2.87Å; F620-E624 WeakPolarHBondContact O-CB 3.37Å; F620-E624 PolarHBondContact O-N 3.4Å
621	S	97.3	Very high	96.5	Very high	83 Å²	83	42.3 Å²	42.3	58%	0.58	22%	0.223	S	C	*	.	H	α-helix	trans	-62.8	-27.7	173.9	55.9	0	0	0	0	113.4	A619 E625	A619-S621 VanDerWaalsContact C-N 3.26Å; A619-S621 PolarHBondContact O-N 3.38Å; A619-S621 VanDerWaalsContact O-N 3.16Å; S621-E625 PolarHBondContact O-N 2.86Å
622	K	97.3	Very high	96.4	Very high	54 Å²	54	43.6 Å²	43.6	24%	0.235	23%	0.228	C	C	.	.	H	α-helix	trans	-83.2	-36.8	175.1	-167.8	52	162.9	173.1	0	111.6	A619 F620 E625 W626 E643	A619-K622 WeakPolarHBondContact O-CA 3.17Å; A619-K622 WeakPolarHBondContact O-CB 3.28Å; A619-K622 PolarHBondContact O-N 3.39Å; F620-K622 PolarHBondContact O-N 2.97Å; K622-E625 WeakPolarHBondContact CD-OE2 3.32Å; K622-E625 WeakPolarHBondContact CE-OE2 3.4Å; K622-E625 IonicContact NZ-OE1 3.22Å; K622-E625 IonicContact NZ-OE2 2.66Å; K622-E625 PolarHBondContact NZ-OE2 3.01Å; K622-E625 PolarHBondContact O-N 2.69Å; K622-W626 VanDerWaalsContact CE-NE1 3.31Å; K622-W626 HydrophobicContact CG-CD2 4.38Å; K622-W626 HydrophobicContact CG-CZ2 4.09Å; K622-W626 WeakPolarHBondContact O-CB 3.38Å; K622-W626 VanDerWaalsContact O-CG 3.28Å; K622-W626 PolarHBondContact O-N 2.86Å; K622-E643 WeakPolarHBondContact CE-OE2 3.35Å; K622-E643 IonicContact NZ-OE1 3.94Å; K622-E643 IonicContact NZ-OE2 3.52Å; K622-E643 PolarHBondContact NZ-OE2 3.01Å
623	L	98.1	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-41.4	171.8	-72.1	168.3	0	0	0	112	A464 I555 F558 I605 P618 A619 F620 W626 L627	A464-L623 HydrophobicContact CB-CB 4.22Å; I555-L623 HydrophobicContact CG2-CD1 3.98Å; F558-L623 HydrophobicContact CD1-CD1 3.9Å; F558-L623 HydrophobicContact CE1-CD1 3.93Å; F558-L623 HydrophobicContact CE1-CD2 4.48Å; I605-L623 HydrophobicContact CG2-CD2 3.45Å; I605-L623 VanDerWaalsContact CG2-CD2 3.45Å; P618-L623 HydrophobicContact CB-CD2 4.32Å; P618-L623 HydrophobicContact CB-CG 4.21Å; P618-L623 HydrophobicContact CG-CD1 4.23Å; P618-L623 HydrophobicContact CG-CD2 3.63Å; P618-L623 HydrophobicContact CG-CG 3.88Å; P618-L623 WeakPolarHBondContact O-CD1 3.26Å; A619-L623 PolarHBondContact O-N 3.49Å; F620-L623 HydrophobicContact CD1-CD1 3.95Å; F620-L623 HydrophobicContact CE1-CD1 4.29Å; F620-L623 PolarHBondContact O-N 2.87Å; L623-W626 HydrophobicContact CD2-CE3 4.29Å; L623-W626 PolarHBondContact O-N 3.47Å; L623-L627 HydrophobicContact CB-CD1 4.49Å; L623-L627 VanDerWaalsContact O-CB 3.28Å; L623-L627 WeakPolarHBondContact O-CB 3.33Å; L623-L627 WeakPolarHBondContact O-CD1 3.33Å; L623-L627 WeakPolarHBondContact O-CG 3.36Å; L623-L627 PolarHBondContact O-N 2.87Å
624	E	97.9	Very high	96.5	Very high	57 Å²	57	42.5 Å²	42.5	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-58.6	-48.7	174.3	-175.2	-176.7	179.5	0	0	111.4	A464 A465 F620 W626 L627 E628	A464-E624 HydrophobicContact CB-CB 4.36Å; A465-E624 VanDerWaalsContact CB-CD 3.5Å; A465-E624 HydrophobicContact CB-CG 4.03Å; A465-E624 WeakPolarHBondContact CB-OE1 3.45Å; F620-E624 WeakPolarHBondContact O-CB 3.37Å; F620-E624 PolarHBondContact O-N 3.4Å; E624-W626 PolarHBondContact O-N 3.32Å; E624-L627 PolarHBondContact O-N 3.46Å; E624-E628 VanDerWaalsContact O-CB 3.26Å; E624-E628 WeakPolarHBondContact O-CB 3.09Å; E624-E628 PolarHBondContact O-N 2.86Å
625	E	97.1	Very high	96.4	Very high	92 Å²	92	45.3 Å²	45.3	43%	0.43	24%	0.235	S	C	.	.	H	α-helix	trans	-59	-46.9	176.5	-171.6	-168.2	-165.6	0	0	111.9	S621 K622 N629 M641	S621-E625 PolarHBondContact O-N 2.86Å; K622-E625 WeakPolarHBondContact CD-OE2 3.32Å; K622-E625 WeakPolarHBondContact CE-OE2 3.4Å; K622-E625 IonicContact NZ-OE1 3.22Å; K622-E625 IonicContact NZ-OE2 2.66Å; K622-E625 PolarHBondContact NZ-OE2 3.01Å; K622-E625 PolarHBondContact O-N 2.69Å; E625-N629 WeakPolarHBondContact O-CB 3.31Å; E625-N629 PolarHBondContact O-N 2.66Å; E625-M641 HydrophobicContact CG-CE 4.09Å; E625-M641 HydrophobicContact CG-SD 4.15Å
626	W	97.8	Very high	96.4	Very high	22 Å²	22	47.3 Å²	47.3	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-42.7	178.8	-72.9	1.8	0	0	0	112.6	I605 L608 P618 K622 L623 E624 L630 M641 E643 L644 L647	I605-W626 HydrophobicContact CD1-CB 4.32Å; I605-W626 HydrophobicContact CG1-CE3 4.11Å; L608-W626 HydrophobicContact CD2-CH2 4.06Å; L608-W626 HydrophobicContact CD2-CZ3 3.98Å; P618-W626 HydrophobicContact CB-CH2 4.18Å; P618-W626 HydrophobicContact CB-CZ3 3.95Å; P618-W626 HydrophobicContact CG-CZ3 3.99Å; K622-W626 VanDerWaalsContact CE-NE1 3.31Å; K622-W626 HydrophobicContact CG-CD2 4.38Å; K622-W626 HydrophobicContact CG-CZ2 4.09Å; K622-W626 WeakPolarHBondContact O-CB 3.38Å; K622-W626 VanDerWaalsContact O-CG 3.28Å; K622-W626 PolarHBondContact O-N 2.86Å; L623-W626 HydrophobicContact CD2-CE3 4.29Å; L623-W626 PolarHBondContact O-N 3.47Å; E624-W626 PolarHBondContact O-N 3.32Å; W626-L630 WeakPolarHBondContact O-CB 3.47Å; W626-L630 PolarHBondContact O-N 2.68Å; W626-M641 VanDerWaalsContact CD1-CE 3.46Å; W626-M641 HydrophobicContact CG-CE 4.32Å; W626-E643 PolarHBondContact NE1-OE2 3.04Å; W626-L644 HydrophobicContact CB-CD1 4.38Å; W626-L644 HydrophobicContact CD2-CD1 4.34Å; W626-L644 HydrophobicContact CE3-CD1 4.47Å; W626-L644 HydrophobicContact CG-CD1 4.35Å; W626-L647 HydrophobicContact CE3-CD2 4.35Å; W626-L647 HydrophobicContact CH2-CD2 4.1Å; W626-L647 HydrophobicContact CZ3-CD2 3.75Å
627	L	98	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-74.6	-34.3	-179.2	-67.8	164.6	0	0	0	112.1	V457 A460 K461 A464 F558 F602 I605 L623 E624 L630 K631	V457-L627 HydrophobicContact CG1-CD2 4.35Å; V457-L627 WeakPolarHBondContact CG1-O 3.32Å; A460-L627 HydrophobicContact CB-CD1 3.99Å; A460-L627 HydrophobicContact CB-CD2 4.05Å; K461-L627 HydrophobicContact CB-CB 3.84Å; K461-L627 HydrophobicContact CG-CB 4.19Å; A464-L627 HydrophobicContact CB-CD1 3.97Å; F558-L627 HydrophobicContact CE1-CD1 4.21Å; F558-L627 HydrophobicContact CZ-CD1 3.82Å; F602-L627 HydrophobicContact CD2-CD2 3.97Å; F602-L627 HydrophobicContact CE2-CD2 3.78Å; I605-L627 HydrophobicContact CD1-CD2 4.01Å; L623-L627 HydrophobicContact CB-CD1 4.49Å; L623-L627 VanDerWaalsContact O-CB 3.28Å; L623-L627 WeakPolarHBondContact O-CB 3.33Å; L623-L627 WeakPolarHBondContact O-CD1 3.33Å; L623-L627 WeakPolarHBondContact O-CG 3.36Å; L623-L627 PolarHBondContact O-N 2.87Å; E624-L627 PolarHBondContact O-N 3.46Å; L627-L630 PolarHBondContact O-N 3.03Å; L627-K631 WeakPolarHBondContact O-CB 3.34Å; L627-K631 PolarHBondContact O-N 3.12Å
628	E	97	Very high	96	Very high	55 Å²	55	47.6 Å²	47.6	26%	0.257	26%	0.264	S	S	.	.	H	α-helix	trans	-65.6	-44.3	171.7	-174.4	67	-142.7	0	0	111.1	K461 E624 L630 K631 M632	K461-E628 VanDerWaalsContact CD-OE2 3.31Å; K461-E628 WeakPolarHBondContact CD-OE2 3.21Å; K461-E628 WeakPolarHBondContact CE-OE2 3.38Å; K461-E628 HydrophobicContact CG-CB 4.34Å; K461-E628 IonicContact NZ-OE2 3.94Å; K461-E628 PolarHBondContact NZ-OE2 3.36Å; E624-E628 VanDerWaalsContact O-CB 3.26Å; E624-E628 WeakPolarHBondContact O-CB 3.09Å; E624-E628 PolarHBondContact O-N 2.86Å; E628-L630 PolarHBondContact O-N 3.4Å; E628-K631 WeakPolarHBondContact O-CB 2.9Å; E628-K631 PolarHBondContact O-N 3.38Å; E628-M632 WeakPolarHBondContact O-CG 3.44Å; E628-M632 PolarHBondContact O-N 2.86Å; E628-M632 WeakPolarHBondContact OE1-CE 3.1Å
629	N	96.8	Very high	95.8	Very high	16 Å²	16	51.7 Å²	51.7	9%	0.086	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-43.1	174	173.6	-114.5	0	0	0	112.1	E625 K631 M632 H633 P639 L640 M641	E625-N629 WeakPolarHBondContact O-CB 3.31Å; E625-N629 PolarHBondContact O-N 2.66Å; N629-K631 VanDerWaalsContact C-N 3.33Å; N629-K631 PolarHBondContact O-N 3.12Å; N629-M632 PolarHBondContact O-N 3.22Å; N629-H633 WeakPolarHBondContact O-CB 3.4Å; N629-H633 PolarHBondContact O-N 2.67Å; N629-P639 PolarHBondContact ND2-O 2.98Å; N629-P639 VanDerWaalsContact ND2-O 3.12Å; N629-L640 WeakPolarHBondContact OD1-CA 3.21Å; N629-M641 HydrophobicContact CB-CE 3.54Å; N629-M641 HydrophobicContact CB-CG 4.25Å; N629-M641 HydrophobicContact CB-SD 4.18Å; N629-M641 PolarHBondContact OD1-N 3.4Å
630	L	96.3	Very high	95.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-37.8	175.2	-179.7	61.6	0	0	0	112.1	V457 P599 P600 F602 W626 L627 E628 H633 L634 L640 L644	V457-L630 HydrophobicContact CG1-CB 4.25Å; V457-L630 HydrophobicContact CG1-CD2 4.11Å; V457-L630 HydrophobicContact CG1-CG 4.12Å; V457-L630 HydrophobicContact CG2-CD2 3.92Å; V457-L630 HydrophobicContact CG2-CG 4.27Å; P599-L630 HydrophobicContact CB-CD1 4.07Å; P600-L630 VanDerWaalsContact O-CD1 3.31Å; P600-L630 WeakPolarHBondContact O-CD1 3.32Å; F602-L630 HydrophobicContact CB-CD2 3.79Å; F602-L630 HydrophobicContact CD2-CD2 3.81Å; F602-L630 HydrophobicContact CG-CD2 4.06Å; W626-L630 WeakPolarHBondContact O-CB 3.47Å; W626-L630 PolarHBondContact O-N 2.68Å; L627-L630 PolarHBondContact O-N 3.03Å; E628-L630 PolarHBondContact O-N 3.4Å; L630-H633 WeakPolarHBondContact O-CB 3.42Å; L630-H633 PolarHBondContact O-N 3.47Å; L630-L634 WeakPolarHBondContact O-CG 3.48Å; L630-L634 PolarHBondContact O-N 3.1Å; L630-L634 VanDerWaalsContact O-N 3.08Å; L630-L640 HydrophobicContact CD1-CD2 3.9Å; L630-L644 HydrophobicContact CB-CD2 4.41Å
631	K	96.1	Very high	95.2	Very high	44 Å²	44	53 Å²	53	19%	0.191	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-47.2	174.2	-170.7	-176.3	-178.5	-61.8	0	111.1	V457 S458 L627 E628 N629 H633 L634 D635	V457-K631 HydrophobicContact CG1-CB 4.01Å; S458-K631 WeakPolarHBondContact OG-CE 3.38Å; L627-K631 WeakPolarHBondContact O-CB 3.34Å; L627-K631 PolarHBondContact O-N 3.12Å; E628-K631 WeakPolarHBondContact O-CB 2.9Å; E628-K631 PolarHBondContact O-N 3.38Å; N629-K631 VanDerWaalsContact C-N 3.33Å; N629-K631 PolarHBondContact O-N 3.12Å; K631-H633 VanDerWaalsContact C-N 3.3Å; K631-H633 PolarHBondContact O-N 2.99Å; K631-L634 PolarHBondContact O-N 3.28Å; K631-L634 VanDerWaalsContact O-N 3.13Å; K631-D635 IonicContact NZ-OD2 3.41Å; K631-D635 PolarHBondContact NZ-OD2 3.31Å; K631-D635 PolarHBondContact O-N 3.46Å
632	M	95.1	Very high	94.9	Very high	69 Å²	69	52.8 Å²	52.8	34%	0.34	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-34.1	175.7	-69.2	-72.2	174.3	0	0	112.6	E628 N629 I636 G637 L638	E628-M632 WeakPolarHBondContact O-CG 3.44Å; E628-M632 PolarHBondContact O-N 2.86Å; E628-M632 WeakPolarHBondContact OE1-CE 3.1Å; N629-M632 PolarHBondContact O-N 3.22Å; M632-I636 WeakPolarHBondContact O-CG1 3.31Å; M632-I636 PolarHBondContact O-N 3.22Å; M632-I636 HydrophobicContact SD-CD1 4.2Å; M632-G637 PolarHBondContact O-N 2.94Å; M632-L638 HydrophobicContact CB-CB 4.04Å; M632-L638 HydrophobicContact CB-CD2 3.7Å; M632-L638 PolarHBondContact O-N 3.01Å
633	H	94.7	Very high	94.6	Very high	55 Å²	55	54.7 Å²	54.7	26%	0.255	30%	0.298	S	S	.	.	H	α-helix	trans	-60.7	-44	171.3	177.6	68.4	0	0	0	111.7	N629 L630 K631 G637 L638 L640	N629-H633 WeakPolarHBondContact O-CB 3.4Å; N629-H633 PolarHBondContact O-N 2.67Å; L630-H633 WeakPolarHBondContact O-CB 3.42Å; L630-H633 PolarHBondContact O-N 3.47Å; K631-H633 VanDerWaalsContact C-N 3.3Å; K631-H633 PolarHBondContact O-N 2.99Å; H633-G637 WeakPolarHBondContact O-CA 3.47Å; H633-G637 PolarHBondContact O-N 3.18Å; H633-L638 WeakPolarHBondContact CA-O 3.34Å; H633-L638 VanDerWaalsContact CB-O 3.31Å; H633-L638 WeakPolarHBondContact CB-O 3.38Å; H633-L638 PolarHBondContact ND1-O 3.5Å; H633-L640 HydrophobicContact CB-CD2 3.71Å; H633-L640 HydrophobicContact CB-CG 4.44Å
634	L	94.2	Very high	94.2	Very high	63 Å²	63	54.7 Å²	54.7	33%	0.33	30%	0.298	S	S	.	.	H	α-helix	trans	-72.8	-38.4	179.5	-68	171.8	0	0	0	113.7	W453 N454 V457 P599 L630 K631	W453-L634 HydrophobicContact CB-CD1 4.43Å; N454-L634 HydrophobicContact CB-CB 4.32Å; V457-L634 HydrophobicContact CB-CD1 4.43Å; V457-L634 HydrophobicContact CG2-CD1 3.86Å; P599-L634 HydrophobicContact CB-CD1 4.12Å; P599-L634 HydrophobicContact CB-CD2 4.09Å; P599-L634 HydrophobicContact CG-CD1 3.73Å; P599-L634 HydrophobicContact CG-CD2 4.03Å; P599-L634 HydrophobicContact CG-CG 4.47Å; L630-L634 WeakPolarHBondContact O-CG 3.48Å; L630-L634 PolarHBondContact O-N 3.1Å; L630-L634 VanDerWaalsContact O-N 3.08Å; K631-L634 PolarHBondContact O-N 3.28Å; K631-L634 VanDerWaalsContact O-N 3.13Å
635	D	92.6	Very high	93.9	Very high	66 Å²	66	54.4 Å²	54.4	35%	0.353	30%	0.298	S	S	.	.	H	α-helix	trans	-82.5	-37	-175.1	-71.4	-28.4	0	0	0	113.1	N454 K631	N454-D635 WeakPolarHBondContact CB-OD1 3.22Å; N454-D635 PolarHBondContact ND2-OD1 3.24Å; K631-D635 IonicContact NZ-OD2 3.41Å; K631-D635 PolarHBondContact NZ-OD2 3.31Å; K631-D635 PolarHBondContact O-N 3.46Å
636	I	93.4	Very high	93.7	Very high	125 Å²	125	55.6 Å²	55.6	64%	0.641	30%	0.303	S	S	*	.	H	α-helix	trans	-132.6	6.9	-173.7	63.3	166.4	0	0	0	114.9	M632 L638	M632-I636 WeakPolarHBondContact O-CG1 3.31Å; M632-I636 PolarHBondContact O-N 3.22Å; M632-I636 HydrophobicContact SD-CD1 4.2Å; I636-L638 VanDerWaalsContact C-N 3.31Å; I636-L638 HydrophobicContact CG1-CB 4.32Å; I636-L638 PolarHBondContact O-N 3.27Å
637	G	91.4	Very high	93.5	Very high	56 Å²	56	56.1 Å²	56.1	58%	0.577	31%	0.308	S	S	*	.			trans	72.7	19.5	178.6	0	0	0	0	0	114.7	M632 H633	M632-G637 PolarHBondContact O-N 2.94Å; H633-G637 WeakPolarHBondContact O-CA 3.47Å; H633-G637 PolarHBondContact O-N 3.18Å
638	L	92.6	Very high	93.2	Very high	71 Å²	71	58.2 Å²	58.2	37%	0.372	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-56.3	138.4	176.3	-167.9	78.1	0	0	0	110.6	M632 H633 I636	M632-L638 HydrophobicContact CB-CB 4.04Å; M632-L638 HydrophobicContact CB-CD2 3.7Å; M632-L638 PolarHBondContact O-N 3.01Å; H633-L638 WeakPolarHBondContact CA-O 3.34Å; H633-L638 VanDerWaalsContact CB-O 3.31Å; H633-L638 WeakPolarHBondContact CB-O 3.38Å; H633-L638 PolarHBondContact ND1-O 3.5Å; I636-L638 VanDerWaalsContact C-N 3.31Å; I636-L638 HydrophobicContact CG1-CB 4.32Å; I636-L638 PolarHBondContact O-N 3.27Å
639	P	91.9	Very high	93	Very high	102 Å²	102	60.6 Å²	60.6	66%	0.662	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-57.5	141	173.3	-26.2	35.6	0	0	0	112.7	N629	N629-P639 PolarHBondContact ND2-O 2.98Å; N629-P639 VanDerWaalsContact ND2-O 3.12Å
640	L	92	Very high	92.8	Very high	36 Å²	36	61.8 Å²	61.8	19%	0.188	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-65.6	143.3	170.5	-64.4	172.4	0	0	0	109.9	P600 N629 L630 H633 L644	P600-L640 HydrophobicContact CB-CD1 3.95Å; N629-L640 WeakPolarHBondContact OD1-CA 3.21Å; L630-L640 HydrophobicContact CD1-CD2 3.9Å; H633-L640 HydrophobicContact CB-CD2 3.71Å; H633-L640 HydrophobicContact CB-CG 4.44Å; L640-L644 HydrophobicContact CD2-CD2 4.09Å
641	M	91.6	Very high	92.6	Very high	46 Å²	46	62.5 Å²	62.5	23%	0.227	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61.9	145.7	174.3	-72.4	179.1	-56.4	0	0	111.2	E625 W626 N629 E643 L644 D645	E625-M641 HydrophobicContact CG-CE 4.09Å; E625-M641 HydrophobicContact CG-SD 4.15Å; W626-M641 VanDerWaalsContact CD1-CE 3.46Å; W626-M641 HydrophobicContact CG-CE 4.32Å; N629-M641 HydrophobicContact CB-CE 3.54Å; N629-M641 HydrophobicContact CB-CG 4.25Å; N629-M641 HydrophobicContact CB-SD 4.18Å; N629-M641 PolarHBondContact OD1-N 3.4Å; M641-E643 VanDerWaalsContact C-N 3.28Å; M641-E643 PolarHBondContact O-N 2.88Å; M641-L644 HydrophobicContact CB-CB 4.41Å; M641-L644 WeakPolarHBondContact O-CB 3.37Å; M641-L644 PolarHBondContact O-N 3.11Å; M641-D645 PolarHBondContact O-N 3.25Å
642	S	90.5	Very high	92.4	Very high	79 Å²	79	63.2 Å²	63.2	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-57.3	-38.4	-175.8	-169.6	0	0	0	0	113.1	L644 Q646	S642-L644 VanDerWaalsContact C-N 3.32Å; S642-L644 PolarHBondContact O-N 3.41Å; S642-Q646 VanDerWaalsContact O-CB 3.3Å; S642-Q646 WeakPolarHBondContact O-CB 3.14Å; S642-Q646 WeakPolarHBondContact O-CG 3.3Å; S642-Q646 PolarHBondContact O-N 3.29Å; S642-Q646 PolarHBondContact O-NE2 3.49Å; S642-Q646 PolarHBondContact OG-NE2 2.96Å
643	E	91.3	Very high	92.1	Very high	95 Å²	95	67 Å²	67	44%	0.444	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-37.8	174.7	-62.4	173.7	170.6	0	0	112.8	K622 W626 M641 L647	K622-E643 WeakPolarHBondContact CE-OE2 3.35Å; K622-E643 IonicContact NZ-OE1 3.94Å; K622-E643 IonicContact NZ-OE2 3.52Å; K622-E643 PolarHBondContact NZ-OE2 3.01Å; W626-E643 PolarHBondContact NE1-OE2 3.04Å; M641-E643 VanDerWaalsContact C-N 3.28Å; M641-E643 PolarHBondContact O-N 2.88Å; E643-L647 WeakPolarHBondContact O-CB 3.43Å; E643-L647 PolarHBondContact O-N 2.86Å
644	L	90.8	Very high	91.6	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-78.2	-36.7	-176.3	-173.9	61.4	0	0	0	111.5	A601 I605 W626 L630 L640 M641 S642 L647 H648	A601-L644 HydrophobicContact CB-CD1 3.43Å; A601-L644 VanDerWaalsContact CB-CD1 3.43Å; A601-L644 HydrophobicContact CB-CD2 4.26Å; A601-L644 HydrophobicContact CB-CG 3.55Å; I605-L644 HydrophobicContact CD1-CD1 3.78Å; I605-L644 HydrophobicContact CG1-CD1 3.87Å; W626-L644 HydrophobicContact CB-CD1 4.38Å; W626-L644 HydrophobicContact CD2-CD1 4.34Å; W626-L644 HydrophobicContact CE3-CD1 4.47Å; W626-L644 HydrophobicContact CG-CD1 4.35Å; L630-L644 HydrophobicContact CB-CD2 4.41Å; L640-L644 HydrophobicContact CD2-CD2 4.09Å; M641-L644 HydrophobicContact CB-CB 4.41Å; M641-L644 WeakPolarHBondContact O-CB 3.37Å; M641-L644 PolarHBondContact O-N 3.11Å; S642-L644 VanDerWaalsContact C-N 3.32Å; S642-L644 PolarHBondContact O-N 3.41Å; L644-L647 HydrophobicContact CD1-CD2 4.36Å; L644-H648 WeakPolarHBondContact O-CB 3.43Å; L644-H648 PolarHBondContact O-N 3.34Å
645	D	91.6	Very high	91	Very high	50 Å²	50	71.5 Å²	71.5	27%	0.267	38%	0.38	S	S	.	.	H	α-helix	trans	-66.3	-40	169.3	175.5	59.9	0	0	0	111.8	M641 H648 K649	M641-D645 PolarHBondContact O-N 3.25Å; D645-H648 PolarHBondContact O-N 3.49Å; D645-K649 VanDerWaalsContact CG-NZ 3.31Å; D645-K649 WeakPolarHBondContact O-CG 3.34Å; D645-K649 PolarHBondContact O-N 3.03Å; D645-K649 WeakPolarHBondContact OD1-CE 3.39Å; D645-K649 IonicContact OD1-NZ 3.57Å; D645-K649 PolarHBondContact OD1-NZ 3.08Å; D645-K649 WeakPolarHBondContact OD2-CE 3.31Å; D645-K649 IonicContact OD2-NZ 2.64Å; D645-K649 PolarHBondContact OD2-NZ 3.42Å
646	Q	93	Very high	89.5	Confident	117 Å²	117	73 Å²	73	55%	0.547	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-46.1	171.8	-75.5	169.7	47.1	0	0	111.9	S642 H648 K649 A650	S642-Q646 VanDerWaalsContact O-CB 3.3Å; S642-Q646 WeakPolarHBondContact O-CB 3.14Å; S642-Q646 WeakPolarHBondContact O-CG 3.3Å; S642-Q646 PolarHBondContact O-N 3.29Å; S642-Q646 PolarHBondContact O-NE2 3.49Å; S642-Q646 PolarHBondContact OG-NE2 2.96Å; Q646-H648 VanDerWaalsContact C-N 3.3Å; Q646-H648 PolarHBondContact O-N 2.92Å; Q646-K649 PolarHBondContact O-N 3.13Å; Q646-A650 WeakPolarHBondContact O-CB 3.36Å; Q646-A650 PolarHBondContact O-N 2.9Å
647	L	93.2	Very high	87.7	Confident	33 Å²	33	70.6 Å²	70.6	17%	0.173	38%	0.383	C	S	.	.	H	α-helix	trans	-57.8	-44	175.2	176.6	62	0	0	0	111.3	P604 I605 L608 W626 E643 L644 F651	P604-L647 HydrophobicContact CB-CG 4.15Å; I605-L647 HydrophobicContact CG1-CD2 4.27Å; L608-L647 HydrophobicContact CD2-CD1 3.99Å; L608-L647 HydrophobicContact CD2-CD2 4.08Å; W626-L647 HydrophobicContact CE3-CD2 4.35Å; W626-L647 HydrophobicContact CH2-CD2 4.1Å; W626-L647 HydrophobicContact CZ3-CD2 3.75Å; E643-L647 WeakPolarHBondContact O-CB 3.43Å; E643-L647 PolarHBondContact O-N 2.86Å; L644-L647 HydrophobicContact CD1-CD2 4.36Å; L647-F651 WeakPolarHBondContact O-CB 3.19Å; L647-F651 PolarHBondContact O-N 3.36Å
648	H	92.1	Very high	85.3	Confident	45 Å²	45	73.6 Å²	73.6	21%	0.208	39%	0.392	C	S	.	.	H	α-helix	trans	-61.7	-47.4	176.8	177.3	61.6	0	0	0	112.4	A601 L644 D645 Q646 W652	A601-H648 HydrophobicContact CB-CB 3.98Å; A601-H648 PolarHBondContact N-ND1 3.24Å; L644-H648 WeakPolarHBondContact O-CB 3.43Å; L644-H648 PolarHBondContact O-N 3.34Å; D645-H648 PolarHBondContact O-N 3.49Å; Q646-H648 VanDerWaalsContact C-N 3.3Å; Q646-H648 PolarHBondContact O-N 2.92Å; H648-W652 AromaticContact CE1-CD1 3.36Å; H648-W652 AromaticContact CE1-NE1 3.11Å; H648-W652 PolarHBondContact CE1-NE1 2.89Å; H648-W652 AromaticContact ND1-CD1 3.43Å; H648-W652 AromaticContact ND1-NE1 3.25Å; H648-W652 PolarHBondContact ND1-NE1 2.97Å; H648-W652 PolarHBondContact O-N 3.48Å
649	K	92	Very high	82.7	Confident	105 Å²	105	81 Å²	81	46%	0.457	42%	0.415	S	S	.	.	H	α-helix	trans	-64	-53.6	179.6	-73.7	165.7	178.4	167.2	0	111.9	D645 Q646 F651 W652 E653	D645-K649 VanDerWaalsContact CG-NZ 3.31Å; D645-K649 WeakPolarHBondContact O-CG 3.34Å; D645-K649 PolarHBondContact O-N 3.03Å; D645-K649 WeakPolarHBondContact OD1-CE 3.39Å; D645-K649 IonicContact OD1-NZ 3.57Å; D645-K649 PolarHBondContact OD1-NZ 3.08Å; D645-K649 WeakPolarHBondContact OD2-CE 3.31Å; D645-K649 IonicContact OD2-NZ 2.64Å; D645-K649 PolarHBondContact OD2-NZ 3.42Å; Q646-K649 PolarHBondContact O-N 3.13Å; K649-F651 VanDerWaalsContact C-N 3.25Å; K649-F651 PolarHBondContact O-N 3.29Å; K649-W652 PolarHBondContact O-N 3.21Å; K649-W652 VanDerWaalsContact O-N 3.1Å; K649-E653 WeakPolarHBondContact O-CG 3.11Å; K649-E653 PolarHBondContact O-N 2.96Å
650	A	92.3	Very high	80	Confident	40 Å²	40	82 Å²	82	33%	0.331	42%	0.422	S	S	.	.	H	α-helix	trans	-58.3	-38.2	179.2	0	0	0	0	0	112	Q646 W652 H654	Q646-A650 WeakPolarHBondContact O-CB 3.36Å; Q646-A650 PolarHBondContact O-N 2.9Å; A650-W652 PolarHBondContact O-N 2.91Å; A650-H654 PolarHBondContact O-CD2 3.12Å; A650-H654 PolarHBondContact O-N 3.45Å
651	F	93.4	Very high	77.2	Confident	16 Å²	16	88.7 Å²	88.7	7%	0.07	45%	0.452	C	S	.	.	H	α-helix	trans	-59.1	-48.4	175.3	179.5	-89	0	0	0	112.2	I586 L590 F603 P604 A607 L647 K649 H654 H655	I586-F651 HydrophobicContact CD1-CE2 4.4Å; I586-F651 HydrophobicContact CG2-CE2 4.11Å; I586-F651 HydrophobicContact CG2-CZ 3.68Å; L590-F651 HydrophobicContact CD1-CE1 4.48Å; L590-F651 HydrophobicContact CD1-CZ 4.45Å; F603-F651 HydrophobicContact CD1-CE1 4.08Å; F603-F651 AromaticContact CD1-CZ 3.87Å; F603-F651 HydrophobicContact CD1-CZ 3.87Å; F603-F651 HydrophobicContact CE1-CE1 4.2Å; F603-F651 AromaticContact CE1-CZ 3.63Å; F603-F651 HydrophobicContact CE1-CZ 3.63Å; P604-F651 HydrophobicContact CB-CB 3.92Å; P604-F651 HydrophobicContact CB-CD1 4.42Å; P604-F651 HydrophobicContact CB-CD2 4.26Å; P604-F651 HydrophobicContact CB-CG 3.93Å; P604-F651 HydrophobicContact CG-CB 3.94Å; P604-F651 HydrophobicContact CG-CD1 3.75Å; P604-F651 HydrophobicContact CG-CD2 4.43Å; P604-F651 HydrophobicContact CG-CE1 4.42Å; P604-F651 HydrophobicContact CG-CG 3.76Å; A607-F651 HydrophobicContact CB-CD2 4.25Å; A607-F651 HydrophobicContact CB-CE2 3.58Å; A607-F651 HydrophobicContact CB-CZ 4.38Å; L647-F651 WeakPolarHBondContact O-CB 3.19Å; L647-F651 PolarHBondContact O-N 3.36Å; K649-F651 VanDerWaalsContact C-N 3.25Å; K649-F651 PolarHBondContact O-N 3.29Å; F651-H654 PolarHBondContact O-N 2.92Å; F651-H655 AromaticContact CD2-ND1 3.75Å; F651-H655 HydrophobicContact CE1-CB 4.13Å; F651-H655 AromaticContact CE2-CE1 3.85Å; F651-H655 AromaticContact CE2-ND1 3.66Å; F651-H655 HydrophobicContact CZ-CB 4.22Å; F651-H655 AromaticContact CZ-CG 3.99Å; F651-H655 AromaticContact CZ-ND1 3.94Å; F651-H655 WeakPolarHBondContact O-CB 3.18Å; F651-H655 PolarHBondContact O-N 2.76Å; F651-H655 PolarHBondContact O-ND1 3.43Å
652	W	90.7	Very high	74.6	Confident	59 Å²	59	94.1 Å²	94.1	22%	0.223	48%	0.482	C	S	.	.	H	α-helix	trans	-77.3	-25.9	-177.6	-68.9	117.1	0	0	0	114.1	L590 Y594 H648 K649 A650 H654 H655 S656 I657	L590-W652 HydrophobicContact CD1-CH2 4.38Å; L590-W652 HydrophobicContact CD1-CZ3 4.01Å; L590-W652 HydrophobicContact CD2-CH2 3.62Å; L590-W652 HydrophobicContact CD2-CZ3 4.09Å; Y594-W652 HydrophobicContact CE1-CH2 4.3Å; Y594-W652 HydrophobicContact CE1-CZ2 4.5Å; Y594-W652 HydrophobicContact CE2-CZ2 4.5Å; H648-W652 AromaticContact CE1-CD1 3.36Å; H648-W652 AromaticContact CE1-NE1 3.11Å; H648-W652 PolarHBondContact CE1-NE1 2.89Å; H648-W652 AromaticContact ND1-CD1 3.43Å; H648-W652 AromaticContact ND1-NE1 3.25Å; H648-W652 PolarHBondContact ND1-NE1 2.97Å; H648-W652 PolarHBondContact O-N 3.48Å; K649-W652 PolarHBondContact O-N 3.21Å; K649-W652 VanDerWaalsContact O-N 3.1Å; A650-W652 PolarHBondContact O-N 2.91Å; W652-H654 VanDerWaalsContact C-N 3.26Å; W652-H654 PolarHBondContact O-N 2.9Å; W652-H655 PolarHBondContact O-N 3.45Å; W652-S656 PolarHBondContact O-N 3.01Å; W652-S656 PolarHBondContact O-OG 3.28Å; W652-I657 HydrophobicContact CH2-CD1 4.07Å; W652-I657 HydrophobicContact CZ3-CD1 3.67Å; W652-I657 HydrophobicContact CZ3-CG1 4.02Å
653	E	89.8	Confident	71.8	Confident	149 Å²	149	93.8 Å²	93.8	70%	0.696	49%	0.491	S	S	*	.	H	α-helix	trans	-60.2	-37.5	167.4	-74.4	172.4	-171.9	0	0	111.5	K649	K649-E653 WeakPolarHBondContact O-CG 3.11Å; K649-E653 PolarHBondContact O-N 2.96Å
654	H	84	Confident	69.4	Low	153 Å²	153	97.2 Å²	97.2	71%	0.708	51%	0.511	S	S	*	.	H	α-helix	trans	-86.1	-24.3	177.7	-70.2	-56.3	0	0	0	114.9	A650 F651 W652	A650-H654 PolarHBondContact O-CD2 3.12Å; A650-H654 PolarHBondContact O-N 3.45Å; F651-H654 PolarHBondContact O-N 2.92Å; W652-H654 VanDerWaalsContact C-N 3.26Å; W652-H654 PolarHBondContact O-N 2.9Å
655	H	80.6	Confident	66.6	Low	59 Å²	59	106.3 Å²	106.3	27%	0.273	55%	0.553	S	S	.	*	S	Bend	trans	-123.3	50.5	-173	-55.6	87	0	0	0	112.1	L590 F651 W652 I657	L590-H655 HydrophobicContact CD1-CB 4.33Å; F651-H655 AromaticContact CD2-ND1 3.75Å; F651-H655 HydrophobicContact CE1-CB 4.13Å; F651-H655 AromaticContact CE2-CE1 3.85Å; F651-H655 AromaticContact CE2-ND1 3.66Å; F651-H655 HydrophobicContact CZ-CB 4.22Å; F651-H655 AromaticContact CZ-CG 3.99Å; F651-H655 AromaticContact CZ-ND1 3.94Å; F651-H655 WeakPolarHBondContact O-CB 3.18Å; F651-H655 PolarHBondContact O-N 2.76Å; F651-H655 PolarHBondContact O-ND1 3.43Å; W652-H655 PolarHBondContact O-N 3.45Å; H655-I657 PolarHBondContact O-N 3.44Å
656	S	62.5	Low	64	Low	97 Å²	97	110 Å²	110	68%	0.678	58%	0.578	S	S	*	*			trans	-65.1	105	-179.6	-76.4	0	0	0	0	112	W652	W652-S656 PolarHBondContact O-N 3.01Å; W652-S656 PolarHBondContact O-OG 3.28Å
657	I	54.3	Low	61.2	Low	75 Å²	75	113 Å²	113	39%	0.385	59%	0.591	S	S	.	*			trans	-70.8	126.7	169.3	-55.1	170.9	0	0	0	108.4	L590 W652 H655 R659	L590-I657 HydrophobicContact CB-CD1 4Å; L590-I657 HydrophobicContact CB-CG1 4.46Å; L590-I657 HydrophobicContact CD1-CD1 4.13Å; L590-I657 HydrophobicContact CD1-CG1 4.16Å; L590-I657 HydrophobicContact CD2-CD1 4.19Å; L590-I657 HydrophobicContact CG-CD1 4.33Å; W652-I657 HydrophobicContact CH2-CD1 4.07Å; W652-I657 HydrophobicContact CZ3-CD1 3.67Å; W652-I657 HydrophobicContact CZ3-CG1 4.02Å; H655-I657 PolarHBondContact O-N 3.44Å; I657-R659 PolarHBondContact O-N 3.02Å
658	P	40.6	Very low	58.4	Low	118 Å²	118	117.1 Å²	117.1	77%	0.766	62%	0.62	S	S	*	*			trans	-66.5	105.2	165	27.2	-29.9	0	0	0	108.3	P660	P658-P660 WeakPolarHBondContact O-CD 3.43Å
659	R	38.1	Very low	55.7	Low	228 Å²	228	123.9 Å²	123.9	86%	0.86	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-64.1	123.7	173.7	-74.6	-175.8	175	-175	-0.7	108.8	I657 E661	I657-R659 PolarHBondContact O-N 3.02Å; R659-E661 PolarHBondContact O-N 2.98Å
660	P	35.2	Very low	52.9	Low	123 Å²	123	127.1 Å²	127.1	80%	0.799	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-69.5	120.8	168.5	26.3	-29.2	0	0	0	109.1	P658 N662	P658-P660 WeakPolarHBondContact O-CD 3.43Å; P660-N662 PolarHBondContact O-N 3.37Å
661	E	34.6	Very low	50.3	Low	176 Å²	176	131.2 Å²	131.2	82%	0.822	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-76	118.8	166.2	-70.8	-165.8	149.6	0	0	109.5	R659	R659-E661 PolarHBondContact O-N 2.98Å
662	N	35.4	Very low	47.5	Very low	160 Å²	160	143.5 Å²	143.5	86%	0.856	75%	0.749	S	S	*	*	S	Bend	trans	69.5	131.4	170	-49.9	-55.2	0	0	0	117.4	P660	P660-N662 PolarHBondContact O-N 3.37Å
663	G	33.4	Very low	45.4	Very low	72 Å²	72	147.8 Å²	147.8	74%	0.742	78%	0.776	S	S	*	*			trans	141.9	111.6	166.6	0	0	0	0	0	112.8
664	L	40.3	Very low	43.1	Very low	167 Å²	167	147.7 Å²	147.7	87%	0.874	78%	0.78	S	S	*	*			trans	-69.1	130.9	169.2	-70.1	82	0	0	0	109.1
665	H	32.2	Very low	40.8	Very low	191 Å²	191	147.4 Å²	147.4	88%	0.884	78%	0.784	S	S	*	*			trans	-140.9	145.8	151.7	-91.4	-67.1	0	0	0	112.8
666	T	36	Very low	38.4	Very low	127 Å²	127	152.6 Å²	152.6	78%	0.779	81%	0.814	S	S	*	*			trans	-76.3	143.3	-174.1	42.4	0	0	0	0	112.3
667	H	34.3	Very low	36.9	Very low	180 Å²	180	156.1 Å²	156.1	83%	0.833	82%	0.822	S	S	*	*			trans	-57.7	138.2	169.1	-72.4	-70.9	0	0	0	111.3	E669	H667-E669 PolarHBondContact O-N 3.22Å
668	P	34.5	Very low	35.8	Very low	119 Å²	119	161.5 Å²	161.5	77%	0.773	85%	0.852	S	S	*	*			trans	-75.5	115.8	161.1	30.5	-29.7	0	0	0	108.9	Q670	P668-Q670 PolarHBondContact O-N 2.66Å
669	E	35.7	Very low	35.4	Very low	188 Å²	188	164.6 Å²	164.6	88%	0.879	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-64.5	128.7	163.2	-66.7	176.7	138.7	0	0	108.4	H667	H667-E669 PolarHBondContact O-N 3.22Å
670	Q	33.3	Very low	35.2	Very low	173 Å²	173	159.7 Å²	159.7	81%	0.808	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-78.8	139.6	165.7	-74.9	-168.5	-51.7	0	0	109.1	P668	P668-Q670 PolarHBondContact O-N 2.66Å
671	P	38.3	Very low	35.2	Very low	125 Å²	125	162.8 Å²	162.8	81%	0.812	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-69.6	159.4	176.5	30.7	-35.2	0	0	0	112
672	E	34.7	Very low	35.3	Very low	275 Å²	275	161.5 Å²	161.5	100%	1.285	87%	0.866	S	S	*	*			trans	-53	0	-170.4	-57.7	-178.8	133.7	0	0	116.6

Retrieved 672 of 672 residues in 424.5 ms (Link to these results)

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