A0A077ZI54_TRITR Loading...

T-complex protein 1 subunit epsilon

AlphaFold DB , UniProt , Accession A0A077ZI54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 542 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	38	Very low	64.1	Low	237 Å²	237	113.7 Å²	113.7	100%	1.167	61%	0.607	S	S	*	*				0	116.3	0	-78.9	169.5	170	0	0	107.2	T3	M1-T3 PolarHBondContact O-N 3.09Å; M1-T3 VanDerWaalsContact O-N 3.09Å
2	L	38.9	Very low	65.9	Low	181 Å²	181	118.5 Å²	118.5	95%	0.948	62%	0.619	S	S	*	*			trans	-65.4	105.1	165.8	-77.5	152.8	0	0	0	105.5	E4	L2-E4 PolarHBondContact O-N 2.93Å
3	T	49	Very low	67.2	Low	65 Å²	65	113.2 Å²	113.2	40%	0.399	61%	0.61	S	S	.	*			trans	-54.3	123.2	172.2	13.4	0	0	0	0	107.1	M1 G5	M1-T3 PolarHBondContact O-N 3.09Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-G5 VanDerWaalsContact C-N 3.31Å; T3-G5 PolarHBondContact O-N 3.03Å
4	E	50.2	Low	68.4	Low	147 Å²	147	113.4 Å²	113.4	69%	0.687	61%	0.605	S	S	*	*			trans	-55.1	100.2	173.6	-76.2	-175.6	164	0	0	108.1	L2 K20	L2-E4 PolarHBondContact O-N 2.93Å; E4-K20 PolarHBondContact O-N 3.16Å; E4-K20 IonicContact OE2-NZ 3.85Å
5	G	58.7	Low	69.2	Low	35 Å²	35	110.9 Å²	110.9	36%	0.361	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.1	126.4	175.2	0	0	0	0	0	108.1	T3 L18	T3-G5 VanDerWaalsContact C-N 3.31Å; T3-G5 PolarHBondContact O-N 3.03Å; G5-L18 CarbonylContact C-O 3.55Å; G5-L18 WeakPolarHBondContact CA-O 3.45Å
6	S	69.8	Low	69.6	Low	65 Å²	65	109.9 Å²	109.9	46%	0.455	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.7	123.4	166.8	50.5	0	0	0	0	108.2	L8 L18	S6-L8 PolarHBondContact O-N 2.96Å; S6-L18 PolarHBondContact N-O 3.2Å; S6-L18 PolarHBondContact O-N 2.9Å
7	M	75.2	Confident	70.2	Confident	111 Å²	111	111 Å²	111	55%	0.547	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.7	114.1	167.9	-171.2	179.4	75	0	0	107.3	P15 F17	M7-P15 HydrophobicContact CG-CB 3.92Å; M7-P15 HydrophobicContact SD-CB 3.91Å; M7-F17 HydrophobicContact CB-CD1 4.04Å; M7-F17 HydrophobicContact CB-CE1 3.82Å; M7-F17 HydrophobicContact CG-CD1 4.25Å; M7-F17 HydrophobicContact CG-CE1 3.84Å; M7-F17 HydrophobicContact CG-CZ 4.12Å; M7-F17 HydrophobicContact SD-CE1 4.04Å; M7-F17 HydrophobicContact SD-CZ 3.95Å
8	L	77.5	Confident	69.9	Low	79 Å²	79	109.8 Å²	109.8	41%	0.414	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.5	159.2	171.9	-62.8	-177.2	0	0	0	108.8	S6 P15 F16 L18	S6-L8 PolarHBondContact O-N 2.96Å; L8-P15 CarbonylContact O-C 3.52Å; L8-P15 VanDerWaalsContact O-CA 3.28Å; L8-P15 WeakPolarHBondContact O-CA 3.2Å; L8-F16 HydrophobicContact CB-CE1 4.29Å; L8-F16 HydrophobicContact CB-CE2 4.08Å; L8-F16 HydrophobicContact CB-CZ 3.9Å; L8-F16 PolarHBondContact N-O 2.77Å; L8-F16 PolarHBondContact O-N 2.77Å; L8-L18 HydrophobicContact CD1-CD1 3.63Å
9	V	80.8	Confident	69.8	Low	85 Å²	85	111.2 Å²	111.2	52%	0.515	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119	130.2	-179.6	-173.8	0	0	0	0	106.9	G13 H14	V9-G13 WeakPolarHBondContact CG1-O 3.46Å; V9-H14 WeakPolarHBondContact CA-O 3.28Å
10	D	83.2	Confident	69	Low	54 Å²	54	111.8 Å²	111.8	29%	0.289	58%	0.577	S	S	.	*			trans	-69.3	175.3	175.6	74.2	5.2	0	0	0	111.6	F12 G13 H14 F16	D10-F12 PolarHBondContact O-N 3.02Å; D10-F12 VanDerWaalsContact OD1-C 3.29Å; D10-F12 VanDerWaalsContact OD1-CA 3.32Å; D10-F12 WeakPolarHBondContact OD1-CA 3.32Å; D10-F12 WeakPolarHBondContact OD1-CB 3.45Å; D10-F12 PolarHBondContact OD1-N 3.43Å; D10-G13 PolarHBondContact O-N 2.95Å; D10-G13 VanDerWaalsContact O-N 3.09Å; D10-G13 PolarHBondContact OD1-N 2.81Å; D10-H14 PolarHBondContact N-O 3.44Å; D10-H14 IonicContact OD1-CG 3.83Å; D10-H14 PolarHBondContact OD1-N 3.07Å; D10-H14 IonicContact OD1-ND1 3.54Å; D10-H14 WeakPolarHBondContact OD2-CB 3.47Å; D10-H14 IonicContact OD2-CG 3.64Å; D10-H14 IonicContact OD2-ND1 3.02Å; D10-H14 PolarHBondContact OD2-ND1 3.03Å; D10-F16 HydrophobicContact CB-CD1 4.29Å; D10-F16 HydrophobicContact CB-CE1 3.93Å
11	E	84.1	Confident	68.1	Low	192 Å²	192	113.5 Å²	113.5	90%	0.897	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-14.5	178.9	-61.6	-177.6	173.6	0	0	113.5
12	F	85.1	Confident	68.7	Low	171 Å²	171	106.1 Å²	106.1	75%	0.75	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	0.5	-179.5	-57.8	-74.1	0	0	0	113.5	D10	D10-F12 PolarHBondContact O-N 3.02Å; D10-F12 VanDerWaalsContact OD1-C 3.29Å; D10-F12 VanDerWaalsContact OD1-CA 3.32Å; D10-F12 WeakPolarHBondContact OD1-CA 3.32Å; D10-F12 WeakPolarHBondContact OD1-CB 3.45Å; D10-F12 PolarHBondContact OD1-N 3.43Å
13	G	82.7	Confident	69.4	Low	49 Å²	49	106 Å²	106	51%	0.505	55%	0.545	S	S	.	.	S	Bend	trans	90.7	5.6	-179.8	0	0	0	0	0	115	V9 D10 P15	V9-G13 WeakPolarHBondContact CG1-O 3.46Å; D10-G13 PolarHBondContact O-N 2.95Å; D10-G13 VanDerWaalsContact O-N 3.09Å; D10-G13 PolarHBondContact OD1-N 2.81Å; G13-P15 WeakPolarHBondContact O-CD 3.39Å
14	H	84.3	Confident	69.9	Low	116 Å²	116	110.4 Å²	110.4	54%	0.537	56%	0.559	S	S	.	*			trans	-82.2	123.4	177.5	-53.5	115.7	0	0	0	111.2	V9 D10	V9-H14 WeakPolarHBondContact CA-O 3.28Å; D10-H14 PolarHBondContact N-O 3.44Å; D10-H14 IonicContact OD1-CG 3.83Å; D10-H14 PolarHBondContact OD1-N 3.07Å; D10-H14 IonicContact OD1-ND1 3.54Å; D10-H14 WeakPolarHBondContact OD2-CB 3.47Å; D10-H14 IonicContact OD2-CG 3.64Å; D10-H14 IonicContact OD2-ND1 3.02Å; D10-H14 PolarHBondContact OD2-ND1 3.03Å
15	P	81.2	Confident	70.5	Confident	77 Å²	77	105.7 Å²	105.7	50%	0.5	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.3	174.5	29.4	-32.3	0	0	0	110.8	M7 L8 G13	M7-P15 HydrophobicContact CG-CB 3.92Å; M7-P15 HydrophobicContact SD-CB 3.91Å; L8-P15 CarbonylContact O-C 3.52Å; L8-P15 VanDerWaalsContact O-CA 3.28Å; L8-P15 WeakPolarHBondContact O-CA 3.2Å; G13-P15 WeakPolarHBondContact O-CD 3.39Å
16	F	74.8	Confident	71.2	Confident	94 Å²	94	108.2 Å²	108.2	41%	0.412	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.9	146.9	167.2	62.9	-87.7	0	0	0	110.8	L8 D10 L18	L8-F16 HydrophobicContact CB-CE1 4.29Å; L8-F16 HydrophobicContact CB-CE2 4.08Å; L8-F16 HydrophobicContact CB-CZ 3.9Å; L8-F16 PolarHBondContact N-O 2.77Å; L8-F16 PolarHBondContact O-N 2.77Å; D10-F16 HydrophobicContact CB-CD1 4.29Å; D10-F16 HydrophobicContact CB-CE1 3.93Å; F16-L18 HydrophobicContact CE2-CD1 4Å
17	F	79.3	Confident	71.8	Confident	129 Å²	129	111.2 Å²	111.2	57%	0.566	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.9	117.5	-175	-66.9	-83.9	0	0	0	110.8	M7 F19	M7-F17 HydrophobicContact CB-CD1 4.04Å; M7-F17 HydrophobicContact CB-CE1 3.82Å; M7-F17 HydrophobicContact CG-CD1 4.25Å; M7-F17 HydrophobicContact CG-CE1 3.84Å; M7-F17 HydrophobicContact CG-CZ 4.12Å; M7-F17 HydrophobicContact SD-CE1 4.04Å; M7-F17 HydrophobicContact SD-CZ 3.95Å; F17-F19 HydrophobicContact CB-CE2 4.16Å; F17-F19 HydrophobicContact CB-CZ 4.22Å
18	L	65.7	Low	72.2	Confident	90 Å²	90	108.4 Å²	108.4	47%	0.471	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	100.4	167	-102.8	153.5	0	0	0	108.4	G5 S6 L8 F16 K20	G5-L18 CarbonylContact C-O 3.55Å; G5-L18 WeakPolarHBondContact CA-O 3.45Å; S6-L18 PolarHBondContact N-O 3.2Å; S6-L18 PolarHBondContact O-N 2.9Å; L8-L18 HydrophobicContact CD1-CD1 3.63Å; F16-L18 HydrophobicContact CE2-CD1 4Å; L18-K20 PolarHBondContact O-N 3.32Å
19	F	67.4	Low	72.6	Confident	135 Å²	135	107.9 Å²	107.9	59%	0.592	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	123	168	-60.2	-77.4	0	0	0	108.5	F17 K21	F17-F19 HydrophobicContact CB-CE2 4.16Å; F17-F19 HydrophobicContact CB-CZ 4.22Å; F19-K21 PolarHBondContact O-N 3.14Å; F19-K21 VanDerWaalsContact O-N 3.16Å
20	K	54.3	Low	73	Confident	123 Å²	123	105.2 Å²	105.2	54%	0.535	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-54.1	124.9	163.3	-95.1	-179.3	175.9	175.4	0	107.3	E4 L18	E4-K20 PolarHBondContact O-N 3.16Å; E4-K20 IonicContact OE2-NZ 3.85Å; L18-K20 PolarHBondContact O-N 3.32Å
21	K	49.1	Very low	73.1	Confident	149 Å²	149	105.8 Å²	105.8	65%	0.648	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-49.5	131.6	165.7	-80.2	-176.4	177.9	178	0	106.7	F19 E23	F19-K21 PolarHBondContact O-N 3.14Å; F19-K21 VanDerWaalsContact O-N 3.16Å; K21-E23 PolarHBondContact O-N 3.36Å; K21-E23 VanDerWaalsContact O-N 3.14Å
22	P	51.6	Low	73.3	Confident	81 Å²	81	103 Å²	103	53%	0.526	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-51.7	129.8	172.6	21.1	-29.7	0	0	0	107.3	K24 S25	P22-K24 PolarHBondContact O-N 2.68Å; P22-S25 PolarHBondContact O-N 3.09Å
23	E	54.2	Low	73.5	Confident	178 Å²	178	94.9 Å²	94.9	83%	0.832	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-2.8	-172.6	-70.1	-177.8	159.2	0	0	114	K21	K21-E23 PolarHBondContact O-N 3.36Å; K21-E23 VanDerWaalsContact O-N 3.14Å
24	K	59.2	Low	73.8	Confident	159 Å²	159	92.6 Å²	92.6	69%	0.691	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.9	52.2	-174.2	-58	-174.7	178.4	178.4	0	112.1	P22 A536	P22-K24 PolarHBondContact O-N 2.68Å; K24-A536 HydrophobicContact CB-CB 3.54Å; K24-A536 WeakPolarHBondContact O-CB 3.23Å; K24-A536 PolarHBondContact O-N 3.33Å
25	S	62.8	Low	74.2	Confident	47 Å²	47	90.2 Å²	90.2	33%	0.329	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.2	166	62	0	0	0	0	110	P22 S534	P22-S25 PolarHBondContact O-N 3.09Å; S25-S534 WeakPolarHBondContact CA-O 3.15Å; S25-S534 WeakPolarHBondContact CB-O 3.48Å
26	T	73.6	Confident	74.6	Confident	89 Å²	89	87.4 Å²	87.4	55%	0.546	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.7	169.1	46	0	0	0	0	108.9	S534	T26-S534 PolarHBondContact N-O 2.86Å; T26-S534 PolarHBondContact O-N 2.81Å; T26-S534 PolarHBondContact O-OG 2.71Å; T26-S534 PolarHBondContact OG1-OG 3.41Å
27	R	82.2	Confident	75.4	Confident	128 Å²	128	83 Å²	83	48%	0.483	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.8	177.7	-178	-179.7	-173.9	-160.7	8.8	108.5	T29 D531 V532 N533	R27-T29 HydrophobicContact CG-CG2 3.81Å; R27-D531 WeakPolarHBondContact CG-OD1 3.49Å; R27-D531 IonicContact CZ-OD1 2.76Å; R27-D531 IonicContact CZ-OD2 2.82Å; R27-D531 IonicContact NE-OD1 2.62Å; R27-D531 PolarHBondContact NE-OD1 3.41Å; R27-D531 IonicContact NE-OD2 2.7Å; R27-D531 PolarHBondContact NE-OD2 2.65Å; R27-D531 IonicContact NH2-OD1 2.65Å; R27-D531 IonicContact NH2-OD2 3.61Å; R27-D531 PolarHBondContact NH2-OD2 3.18Å; R27-V532 WeakPolarHBondContact CA-O 3.24Å; R27-N533 VanDerWaalsContact CD-OD1 3.23Å; R27-N533 WeakPolarHBondContact CD-OD1 3.26Å; R27-N533 WeakPolarHBondContact CG-OD1 3.44Å
28	L	83.3	Confident	76.1	Confident	51 Å²	51	76.8 Å²	76.8	27%	0.267	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.2	170.1	-65.5	172.1	0	0	0	107.7	A33 A36 V532 Y541	L28-A33 HydrophobicContact CB-CB 3.99Å; L28-A36 HydrophobicContact CD1-CB 4.02Å; L28-V532 PolarHBondContact N-O 2.94Å; L28-V532 PolarHBondContact O-N 3.43Å; L28-Y541 HydrophobicContact CD1-CD1 4.39Å
29	T	86.8	Confident	77.4	Confident	68 Å²	68	77.6 Å²	77.6	42%	0.417	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.2	-178.3	56.7	0	0	0	0	112.4	R27 D530	R27-T29 HydrophobicContact CG-CG2 3.81Å; T29-D530 CarbonylContact C-O 3.56Å; T29-D530 VanDerWaalsContact C-O 3.31Å; T29-D530 VanDerWaalsContact CA-O 3.24Å; T29-D530 WeakPolarHBondContact CA-O 3.47Å
30	G	87.9	Confident	78.6	Confident	29 Å²	29	71.8 Å²	71.8	30%	0.299	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-137.1	175.6	0	0	0	0	0	112.6	E32 A33 I34 D530	G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 3.22Å; G30-A33 PolarHBondContact O-N 3.13Å; G30-I34 PolarHBondContact O-N 3.44Å; G30-D530 PolarHBondContact N-O 3.43Å
31	V	86.6	Confident	80.5	Confident	66 Å²	66	66 Å²	66	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-33.3	-174.3	-178.4	0	0	0	0	112.1	A33 I34 K35 L124	V31-A33 PolarHBondContact O-N 3.4Å; V31-I34 PolarHBondContact O-N 3.32Å; V31-K35 HydrophobicContact CG1-CG 4.33Å; V31-K35 WeakPolarHBondContact O-CG 3.24Å; V31-K35 PolarHBondContact O-N 3.29Å; V31-L124 HydrophobicContact CG1-CB 4.29Å
32	E	87.6	Confident	82.6	Confident	135 Å²	135	62.2 Å²	62.2	63%	0.631	32%	0.323	S	S	*	.	H	α-helix	trans	-64.1	-40.5	178.7	-66.5	-177.1	168.8	0	0	112	G30 K35 A36	G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 3.22Å; E32-K35 PolarHBondContact O-N 2.92Å; E32-A36 PolarHBondContact O-N 3.16Å
33	A	88.7	Confident	84.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-45.7	173.9	0	0	0	0	0	111	L28 G30 V31 K35 A36 N37 D530 V532	L28-A33 HydrophobicContact CB-CB 3.99Å; G30-A33 PolarHBondContact O-N 3.13Å; V31-A33 PolarHBondContact O-N 3.4Å; A33-K35 VanDerWaalsContact C-N 3.35Å; A33-K35 PolarHBondContact O-N 3.01Å; A33-A36 PolarHBondContact O-N 3.03Å; A33-N37 PolarHBondContact O-N 3.03Å; A33-N37 PolarHBondContact O-ND2 3.17Å; A33-N37 PolarHBondContact O-OD1 3.3Å; A33-D530 WeakPolarHBondContact CB-O 3.5Å; A33-V532 HydrophobicContact CB-CG2 4.25Å
34	I	90.3	Very high	86.5	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-41.3	179.5	-59.8	169.4	0	0	0	110.8	G30 V31 A36 N37 V38 L124 P130 L527 V529 D530	G30-I34 PolarHBondContact O-N 3.44Å; V31-I34 PolarHBondContact O-N 3.32Å; I34-A36 PolarHBondContact O-N 3.37Å; I34-N37 WeakPolarHBondContact O-CB 3.05Å; I34-N37 PolarHBondContact O-N 2.96Å; I34-N37 VanDerWaalsContact O-N 3.16Å; I34-V38 HydrophobicContact CG2-CG2 4.28Å; I34-V38 VanDerWaalsContact O-CG2 3.29Å; I34-V38 WeakPolarHBondContact O-CG2 3.34Å; I34-V38 PolarHBondContact O-N 3.02Å; I34-L124 HydrophobicContact CB-CD1 4.15Å; I34-L124 HydrophobicContact CD1-CD1 4.41Å; I34-L124 HydrophobicContact CG2-CD1 3.46Å; I34-L124 VanDerWaalsContact CG2-CD1 3.46Å; I34-P130 HydrophobicContact CD1-CB 3.89Å; I34-P130 HydrophobicContact CD1-CG 3.37Å; I34-L527 HydrophobicContact CG2-CD2 3.84Å; I34-V529 WeakPolarHBondContact CG1-O 3.46Å; I34-D530 HydrophobicContact CD1-CB 4.41Å
35	K	90.9	Very high	88.2	Confident	66 Å²	66	46 Å²	46	29%	0.287	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-42.7	175.7	-72.5	-170	-176.5	-162.7	0	112.2	V31 E32 A33 N37 V38 L39 E121 E125	V31-K35 HydrophobicContact CG1-CG 4.33Å; V31-K35 WeakPolarHBondContact O-CG 3.24Å; V31-K35 PolarHBondContact O-N 3.29Å; E32-K35 PolarHBondContact O-N 2.92Å; A33-K35 VanDerWaalsContact C-N 3.35Å; A33-K35 PolarHBondContact O-N 3.01Å; K35-N37 VanDerWaalsContact C-N 3.27Å; K35-N37 PolarHBondContact O-N 3.49Å; K35-V38 PolarHBondContact O-N 2.73Å; K35-L39 WeakPolarHBondContact O-CB 3.49Å; K35-L39 PolarHBondContact O-N 2.89Å; K35-E121 HydrophobicContact CG-CG 4.42Å; K35-E125 VanDerWaalsContact NZ-CG 3.33Å; K35-E125 IonicContact NZ-OE1 3.41Å; K35-E125 PolarHBondContact NZ-OE1 3.17Å
36	A	90.3	Very high	89.7	Confident	18 Å²	18	47.8 Å²	47.8	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-39.9	174.2	0	0	0	0	0	111.6	L28 E32 A33 I34 L39 A40 Y541	L28-A36 HydrophobicContact CD1-CB 4.02Å; E32-A36 PolarHBondContact O-N 3.16Å; A33-A36 PolarHBondContact O-N 3.03Å; I34-A36 PolarHBondContact O-N 3.37Å; A36-L39 PolarHBondContact O-N 3.36Å; A36-A40 PolarHBondContact O-N 3.08Å; A36-Y541 HydrophobicContact CB-CE1 4.17Å
37	N	92.3	Very high	90.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-46.1	176.3	-58	-12.5	0	0	0	111.8	A33 I34 K35 L39 A40 A41 I87 I526 V529 Y541	A33-N37 PolarHBondContact O-N 3.03Å; A33-N37 PolarHBondContact O-ND2 3.17Å; A33-N37 PolarHBondContact O-OD1 3.3Å; I34-N37 WeakPolarHBondContact O-CB 3.05Å; I34-N37 PolarHBondContact O-N 2.96Å; I34-N37 VanDerWaalsContact O-N 3.16Å; K35-N37 VanDerWaalsContact C-N 3.27Å; K35-N37 PolarHBondContact O-N 3.49Å; N37-L39 VanDerWaalsContact C-N 3.32Å; N37-L39 PolarHBondContact O-N 2.9Å; N37-A40 PolarHBondContact O-N 3.31Å; N37-A41 PolarHBondContact O-N 3.06Å; N37-I87 HydrophobicContact CB-CD1 3.96Å; N37-I87 HydrophobicContact CB-CG1 3.79Å; N37-I87 HydrophobicContact CB-CG2 4.46Å; N37-I87 WeakPolarHBondContact O-CG2 3.37Å; N37-I526 HydrophobicContact CB-CG2 3.74Å; N37-V529 PolarHBondContact ND2-O 3.02Å; N37-V529 VanDerWaalsContact ND2-O 3.08Å; N37-Y541 PolarHBondContact OD1-OH 2.99Å
38	V	93.5	Very high	91.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-44.4	176.7	170.5	0	0	0	0	110.3	I34 K35 A40 A41 R42 L117 E121	I34-V38 HydrophobicContact CG2-CG2 4.28Å; I34-V38 VanDerWaalsContact O-CG2 3.29Å; I34-V38 WeakPolarHBondContact O-CG2 3.34Å; I34-V38 PolarHBondContact O-N 3.02Å; K35-V38 PolarHBondContact O-N 2.73Å; V38-A40 PolarHBondContact O-N 3.46Å; V38-A41 PolarHBondContact O-N 3.24Å; V38-R42 VanDerWaalsContact CG1-CD 3.48Å; V38-R42 HydrophobicContact CG1-CG 4.03Å; V38-R42 WeakPolarHBondContact O-CB 3.33Å; V38-R42 VanDerWaalsContact O-CG 3.22Å; V38-R42 WeakPolarHBondContact O-CG 3.35Å; V38-R42 PolarHBondContact O-N 3.37Å; V38-L117 HydrophobicContact CB-CB 4.49Å; V38-L117 HydrophobicContact CG1-CB 4.09Å; V38-L117 WeakPolarHBondContact CG1-O 3.33Å; V38-L117 HydrophobicContact CG2-CB 4.11Å; V38-L117 HydrophobicContact CG2-CD2 4.23Å; V38-E121 HydrophobicContact CG1-CB 4.09Å
39	L	92.7	Very high	91.8	Very high	107 Å²	107	41.8 Å²	41.8	56%	0.56	23%	0.23	S	C	*	.	H	α-helix	trans	-59.7	-44.9	177.8	-175.9	147.1	0	0	0	111.7	K35 A36 N37 R42 A43	K35-L39 WeakPolarHBondContact O-CB 3.49Å; K35-L39 PolarHBondContact O-N 2.89Å; A36-L39 PolarHBondContact O-N 3.36Å; N37-L39 VanDerWaalsContact C-N 3.32Å; N37-L39 PolarHBondContact O-N 2.9Å; L39-R42 PolarHBondContact O-N 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.41Å; L39-A43 PolarHBondContact O-N 2.69Å
40	A	92	Very high	92.1	Very high	13 Å²	13	40.5 Å²	40.5	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-46.2	176.9	0	0	0	0	0	112	A36 N37 V38 A43 I44 I87	A36-A40 PolarHBondContact O-N 3.08Å; N37-A40 PolarHBondContact O-N 3.31Å; V38-A40 PolarHBondContact O-N 3.46Å; A40-A43 PolarHBondContact O-N 3.24Å; A40-I44 PolarHBondContact O-N 3.19Å; A40-I87 HydrophobicContact CB-CB 4.19Å; A40-I87 HydrophobicContact CB-CG2 4.43Å
41	A	94.6	Very high	92.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-41.6	177.7	0	0	0	0	0	112.5	N37 V38 A43 I44 A45 I87 M91 L117	N37-A41 PolarHBondContact O-N 3.06Å; V38-A41 PolarHBondContact O-N 3.24Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.18Å; A41-I44 PolarHBondContact O-N 3.34Å; A41-A45 PolarHBondContact O-N 2.94Å; A41-I87 HydrophobicContact CB-CG2 4Å; A41-M91 HydrophobicContact CB-CE 4.42Å; A41-M91 HydrophobicContact CB-CG 4.03Å; A41-M91 HydrophobicContact CB-SD 3.9Å; A41-L117 HydrophobicContact CB-CD1 3.33Å
42	R	94.2	Very high	92.6	Very high	70 Å²	70	37 Å²	37	26%	0.264	20%	0.196	S	C	.	.	H	α-helix	trans	-63.4	-38.5	176.7	-74.3	174	70.6	-166.1	-5.7	112.1	V38 L39 I44 A45 N46 Q118 E121	V38-R42 VanDerWaalsContact CG1-CD 3.48Å; V38-R42 HydrophobicContact CG1-CG 4.03Å; V38-R42 WeakPolarHBondContact O-CB 3.33Å; V38-R42 VanDerWaalsContact O-CG 3.22Å; V38-R42 WeakPolarHBondContact O-CG 3.35Å; V38-R42 PolarHBondContact O-N 3.37Å; L39-R42 PolarHBondContact O-N 3.25Å; R42-I44 VanDerWaalsContact C-N 3.32Å; R42-I44 PolarHBondContact O-N 2.92Å; R42-A45 PolarHBondContact O-N 3.36Å; R42-N46 VanDerWaalsContact O-CB 3.28Å; R42-N46 WeakPolarHBondContact O-CB 3.42Å; R42-N46 PolarHBondContact O-N 3.13Å; R42-N46 PolarHBondContact O-ND2 2.98Å; R42-Q118 HydrophobicContact CG-CB 4.28Å; R42-E121 IonicContact CZ-OE2 3.55Å; R42-E121 IonicContact NH1-OE2 2.69Å; R42-E121 PolarHBondContact NH1-OE2 3.27Å
43	A	93	Very high	92.5	Very high	51 Å²	51	31.6 Å²	31.6	42%	0.421	18%	0.176	S	C	.	.	H	α-helix	trans	-60.7	-42.6	175.7	0	0	0	0	0	111.7	L39 A40 A41 T47	L39-A43 WeakPolarHBondContact O-CB 3.41Å; L39-A43 PolarHBondContact O-N 2.69Å; A40-A43 PolarHBondContact O-N 3.24Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.18Å; A43-T47 PolarHBondContact O-N 2.95Å; A43-T47 PolarHBondContact O-OG1 3.39Å
44	I	94	Very high	92.1	Very high	21 Å²	21	34.6 Å²	34.6	11%	0.108	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-48	174.9	-61.4	-61	0	0	0	111.1	A40 A41 R42 N46 T47 L48 L78 V83 M91 V110	A40-I44 PolarHBondContact O-N 3.19Å; A41-I44 PolarHBondContact O-N 3.34Å; R42-I44 VanDerWaalsContact C-N 3.32Å; R42-I44 PolarHBondContact O-N 2.92Å; I44-N46 PolarHBondContact O-N 3.33Å; I44-T47 WeakPolarHBondContact O-CB 3.43Å; I44-T47 PolarHBondContact O-N 3.5Å; I44-T47 VanDerWaalsContact O-N 3.16Å; I44-L48 PolarHBondContact O-N 2.9Å; I44-L78 HydrophobicContact CG2-CD1 4.24Å; I44-L78 HydrophobicContact CG2-CD2 3.52Å; I44-V83 HydrophobicContact CD1-CG1 4.37Å; I44-V83 HydrophobicContact CD1-CG2 4.14Å; I44-M91 HydrophobicContact CB-CB 4.32Å; I44-M91 HydrophobicContact CG2-CB 3.85Å; I44-V110 HydrophobicContact CG2-CG1 4.12Å
45	A	95.5	Very high	91.8	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-42.1	178.4	0	0	0	0	0	112.7	A41 R42 T47 L48 R49 V110	A41-A45 PolarHBondContact O-N 2.94Å; R42-A45 PolarHBondContact O-N 3.36Å; A45-T47 VanDerWaalsContact C-N 3.28Å; A45-T47 PolarHBondContact O-N 2.96Å; A45-L48 CarbonylContact O-C 3.51Å; A45-L48 PolarHBondContact O-N 2.89Å; A45-L48 VanDerWaalsContact O-N 3.13Å; A45-R49 PolarHBondContact O-N 3.27Å; A45-V110 HydrophobicContact CB-CG1 4.42Å
46	N	94.3	Very high	91.6	Very high	86 Å²	86	34.5 Å²	34.5	46%	0.46	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-31.2	177	-75.5	-23.7	0	0	0	112.7	R42 I44 L48 R49	R42-N46 VanDerWaalsContact O-CB 3.28Å; R42-N46 WeakPolarHBondContact O-CB 3.42Å; R42-N46 PolarHBondContact O-N 3.13Å; R42-N46 PolarHBondContact O-ND2 2.98Å; I44-N46 PolarHBondContact O-N 3.33Å; N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 3.42Å; N46-R49 PolarHBondContact O-N 3.21Å
47	T	92.6	Very high	91.6	Very high	60 Å²	60	39.4 Å²	39.4	37%	0.368	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-37.3	174.6	-57.2	0	0	0	0	111.2	A43 I44 A45 K59 I81	A43-T47 PolarHBondContact O-N 2.95Å; A43-T47 PolarHBondContact O-OG1 3.39Å; I44-T47 WeakPolarHBondContact O-CB 3.43Å; I44-T47 PolarHBondContact O-N 3.5Å; I44-T47 VanDerWaalsContact O-N 3.16Å; A45-T47 VanDerWaalsContact C-N 3.28Å; A45-T47 PolarHBondContact O-N 2.96Å; T47-K59 VanDerWaalsContact O-CE 3.31Å; T47-K59 WeakPolarHBondContact O-CE 3.34Å; T47-I81 HydrophobicContact CG2-CD1 4.19Å
48	L	94.1	Very high	91.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-89.2	-19	179.3	-69.4	-165.6	0	0	0	114.5	I44 A45 N46 S50 S51 L52 I77 L78 T107 V110	I44-L48 PolarHBondContact O-N 2.9Å; A45-L48 CarbonylContact O-C 3.51Å; A45-L48 PolarHBondContact O-N 2.89Å; A45-L48 VanDerWaalsContact O-N 3.13Å; N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 3.42Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.35Å; L48-S51 WeakPolarHBondContact O-CA 3.39Å; L48-S51 VanDerWaalsContact O-CB 3.23Å; L48-S51 WeakPolarHBondContact O-CB 3.35Å; L48-S51 PolarHBondContact O-N 3.27Å; L48-L52 PolarHBondContact O-N 2.71Å; L48-I77 HydrophobicContact CD2-CB 3.79Å; L48-I77 HydrophobicContact CD2-CD1 3.76Å; L48-I77 HydrophobicContact CD2-CG1 4.38Å; L48-I77 HydrophobicContact CD2-CG2 3.55Å; L48-L78 HydrophobicContact CD1-CD1 3.68Å; L48-L78 HydrophobicContact CD1-CD2 4.3Å; L48-L78 HydrophobicContact CD1-CG 3.89Å; L48-L78 HydrophobicContact CD2-CG 4.44Å; L48-L78 HydrophobicContact CG-CD2 4.36Å; L48-L78 HydrophobicContact CG-CG 4.39Å; L48-T107 HydrophobicContact CB-CG2 4.07Å; L48-T107 WeakPolarHBondContact O-CG2 3.5Å; L48-V110 HydrophobicContact CD1-CB 3.91Å; L48-V110 HydrophobicContact CD1-CG1 3.92Å; L48-V110 HydrophobicContact CD1-CG2 4.06Å
49	R	94.7	Very high	91.4	Very high	81 Å²	81	44.6 Å²	44.6	31%	0.306	25%	0.253	S	S	.	.	H	α-helix	trans	-54.6	-44.1	-174.2	-174.5	178.8	175.9	-171	-6	113.1	A45 N46 S51 L52 T461 E464 N465	A45-R49 PolarHBondContact O-N 3.27Å; N46-R49 PolarHBondContact O-N 3.21Å; R49-S51 PolarHBondContact O-N 3.01Å; R49-L52 WeakPolarHBondContact O-CB 3.3Å; R49-L52 PolarHBondContact O-N 2.69Å; R49-T461 HydrophobicContact CB-CG2 4.47Å; R49-T461 HydrophobicContact CG-CG2 3.36Å; R49-T461 PolarHBondContact NE-OG1 3.3Å; R49-T461 VanDerWaalsContact NE-OG1 3.08Å; R49-T461 WeakPolarHBondContact O-CG2 3.42Å; R49-E464 IonicContact CZ-OE2 3.77Å; R49-E464 IonicContact NE-OE2 2.61Å; R49-E464 PolarHBondContact NE-OE2 3.12Å; R49-E464 IonicContact NH1-OE2 2.86Å; R49-E464 IonicContact NH2-OE2 2.75Å; R49-E464 PolarHBondContact NH2-OE2 2.9Å; R49-N465 PolarHBondContact O-ND2 3.38Å
50	S	93.4	Very high	91.4	Very high	41 Å²	41	45.8 Å²	45.8	29%	0.287	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.3	177.5	56.4	0	0	0	0	113.9	L48 M57 K59	L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.35Å; S50-M57 PolarHBondContact O-N 2.97Å; S50-K59 VanDerWaalsContact OG-CE 3.27Å; S50-K59 WeakPolarHBondContact OG-CE 3.47Å; S50-K59 PolarHBondContact OG-NZ 3.21Å
51	S	92.7	Very high	91.3	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.021	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.2	175.8	-76.7	0	0	0	0	112.8	L48 R49 G53 M57 K59 N72	L48-S51 WeakPolarHBondContact O-CA 3.39Å; L48-S51 VanDerWaalsContact O-CB 3.23Å; L48-S51 WeakPolarHBondContact O-CB 3.35Å; L48-S51 PolarHBondContact O-N 3.27Å; R49-S51 PolarHBondContact O-N 3.01Å; S51-G53 PolarHBondContact O-N 3.3Å; S51-G53 VanDerWaalsContact O-N 3.17Å; S51-M57 PolarHBondContact OG-O 3.3Å; S51-K59 PolarHBondContact OG-NZ 3.38Å; S51-N72 VanDerWaalsContact C-OD1 3.3Å; S51-N72 WeakPolarHBondContact CA-OD1 3.44Å; S51-N72 WeakPolarHBondContact CB-OD1 3.48Å; S51-N72 VanDerWaalsContact O-CG 3.31Å; S51-N72 PolarHBondContact O-ND2 3.49Å; S51-N72 VanDerWaalsContact O-ND2 3.15Å; S51-N72 PolarHBondContact O-OD1 3.25Å; S51-N72 PolarHBondContact OG-OD1 3.36Å; S51-N72 VanDerWaalsContact OG-OD1 3.1Å
52	L	92.3	Very high	91.2	Very high	20 Å²	20	51 Å²	51	11%	0.105	29%	0.286	C	S	.	.			trans	-71.5	113.4	178.9	-167.4	67.5	0	0	0	111	L48 R49 T107 I458 T461 L462 N465	L48-L52 PolarHBondContact O-N 2.71Å; R49-L52 WeakPolarHBondContact O-CB 3.3Å; R49-L52 PolarHBondContact O-N 2.69Å; L52-T107 HydrophobicContact CB-CG2 4.17Å; L52-T107 HydrophobicContact CD1-CG2 4.01Å; L52-I458 HydrophobicContact CD2-CD1 4.28Å; L52-I458 HydrophobicContact CD2-CG2 4.3Å; L52-T461 HydrophobicContact CB-CG2 3.98Å; L52-T461 HydrophobicContact CD2-CG2 3.79Å; L52-L462 HydrophobicContact CD2-CD2 3.9Å; L52-L462 HydrophobicContact CD2-CG 4.46Å; L52-L462 HydrophobicContact CG-CD2 3.83Å; L52-N465 PolarHBondContact O-ND2 3.27Å
53	G	85.9	Confident	91	Very high	21 Å²	21	49.3 Å²	49.3	22%	0.216	29%	0.285	C	S	.	.	S	Bend	trans	-72.9	163.4	-179.6	0	0	0	0	0	114	S51 L462	S51-G53 PolarHBondContact O-N 3.3Å; S51-G53 VanDerWaalsContact O-N 3.17Å; G53-L462 WeakPolarHBondContact O-CD2 3.33Å
54	P	79.7	Confident	90.8	Very high	62 Å²	62	53.4 Å²	53.4	40%	0.403	31%	0.307	S	S	.	.	S	Bend	cis	-82.3	-37.1	29.5	28	-34.6	0	0	0	114.9	G56 V493	P54-G56 PolarHBondContact O-N 3.2Å; P54-G56 VanDerWaalsContact O-N 3.15Å; P54-V493 HydrophobicContact CB-CG2 4.13Å; P54-V493 HydrophobicContact CG-CG2 3.46Å; P54-V493 VanDerWaalsContact CG-CG2 3.46Å
55	C	85.3	Confident	90.6	Very high	47 Å²	47	59.4 Å²	59.4	32%	0.318	34%	0.34	S	S	.	.	S	Bend	trans	-88.4	44.7	177.5	-63.2	0	0	0	0	112.8	N465	C55-N465 VanDerWaalsContact CB-O 3.31Å; C55-N465 WeakPolarHBondContact CB-O 3.32Å
56	G	87	Confident	90.3	Very high	18 Å²	18	61.4 Å²	61.4	19%	0.186	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-73	146.5	-179.5	0	0	0	0	0	112	P54	P54-G56 PolarHBondContact O-N 3.2Å; P54-G56 VanDerWaalsContact O-N 3.15Å
57	M	90	Very high	90	Very high	122 Å²	122	62.5 Å²	62.5	60%	0.601	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-98.3	131.4	179.6	-64.1	-70.7	-179.3	0	0	111	S50 S51 K59 N72	S50-M57 PolarHBondContact O-N 2.97Å; S51-M57 PolarHBondContact OG-O 3.3Å; M57-K59 PolarHBondContact O-NZ 2.51Å; M57-N72 PolarHBondContact O-OD1 3.05Å
58	D	89.6	Confident	89.9	Confident	71 Å²	71	62.5 Å²	62.5	38%	0.38	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-62.3	151.5	172.7	-66.4	-49.5	0	0	0	112.4	I70 N72	D58-I70 HydrophobicContact CB-CG2 3.66Å; D58-N72 WeakPolarHBondContact OD1-CB 3.46Å; D58-N72 PolarHBondContact OD1-N 2.9Å
59	K	91.4	Very high	89.7	Confident	38 Å²	38	63.4 Å²	63.4	17%	0.165	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.6	171.9	-59.6	-62.9	174.5	-71.9	0	109.9	T47 S50 S51 M57 I70 T71 I77	T47-K59 VanDerWaalsContact O-CE 3.31Å; T47-K59 WeakPolarHBondContact O-CE 3.34Å; S50-K59 VanDerWaalsContact OG-CE 3.27Å; S50-K59 WeakPolarHBondContact OG-CE 3.47Å; S50-K59 PolarHBondContact OG-NZ 3.21Å; S51-K59 PolarHBondContact OG-NZ 3.38Å; M57-K59 PolarHBondContact O-NZ 2.51Å; K59-I70 WeakPolarHBondContact O-CA 3.49Å; K59-T71 PolarHBondContact N-O 3.4Å; K59-T71 PolarHBondContact O-N 2.81Å; K59-T71 VanDerWaalsContact O-N 3.17Å; K59-I77 HydrophobicContact CB-CD1 4.09Å; K59-I77 HydrophobicContact CB-CG1 4.19Å; K59-I77 HydrophobicContact CG-CD1 3.77Å; K59-I77 HydrophobicContact CG-CG1 4.35Å
60	M	92.3	Very high	89.5	Confident	132 Å²	132	62.4 Å²	62.4	65%	0.65	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.2	171.5	-175.9	178.3	67.2	0	0	109.4	V68 I70	M60-V68 HydrophobicContact CG-CG1 3.72Å; M60-V68 HydrophobicContact SD-CG1 4.17Å; M60-I70 HydrophobicContact CB-CG1 4.37Å; M60-I70 HydrophobicContact CG-CG1 4.23Å
61	L	91.6	Very high	89.3	Confident	28 Å²	28	60.5 Å²	60.5	15%	0.147	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.8	-177.9	-57.5	164.3	0	0	0	108.1	V68 T69 T71 I77 K80 I81	L61-V68 WeakPolarHBondContact O-CA 3.5Å; L61-T69 PolarHBondContact N-O 3.02Å; L61-T69 PolarHBondContact O-N 3.4Å; L61-T71 HydrophobicContact CD1-CG2 4.13Å; L61-I77 HydrophobicContact CD1-CB 4.32Å; L61-I77 HydrophobicContact CD1-CG1 4.22Å; L61-I77 HydrophobicContact CD1-CG2 4.42Å; L61-K80 HydrophobicContact CD1-CB 3.85Å; L61-K80 HydrophobicContact CD1-CG 4.25Å; L61-I81 HydrophobicContact CD2-CD1 4.47Å; L61-I81 HydrophobicContact CD2-CG1 4.07Å
62	V	91.5	Very high	89.1	Confident	94 Å²	94	60.6 Å²	60.6	57%	0.57	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.2	-179.7	-174.1	0	0	0	0	108.3	D67 V68	V62-D67 WeakPolarHBondContact CA-O 3.44Å; V62-V68 HydrophobicContact CG2-CG2 4.4Å
63	S	89.4	Confident	88.9	Confident	34 Å²	34	60 Å²	60	24%	0.238	36%	0.356	C	S	.	.			trans	-72.4	161.7	175.8	83.1	0	0	0	0	111.1	D65 G66 D67	S63-D65 PolarHBondContact O-N 3.25Å; S63-D65 PolarHBondContact OG-N 3.48Å; S63-G66 PolarHBondContact O-N 3.16Å; S63-G66 PolarHBondContact OG-N 2.9Å; S63-D67 PolarHBondContact N-O 2.97Å; S63-D67 WeakPolarHBondContact OG-CB 3.47Å; S63-D67 PolarHBondContact OG-N 3.44Å
64	P	89.3	Confident	89.2	Confident	137 Å²	137	59 Å²	59	89%	0.89	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.3	171.8	-24.6	35.2	0	0	0	113.7	G66	P64-G66 VanDerWaalsContact C-N 3.26Å
65	D	90.7	Very high	89.8	Confident	147 Å²	147	56.5 Å²	56.5	79%	0.786	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.8	178.3	-55.8	-43.9	0	0	0	112.6	S63	S63-D65 PolarHBondContact O-N 3.25Å; S63-D65 PolarHBondContact OG-N 3.48Å
66	G	88.3	Confident	90.1	Very high	47 Å²	47	55 Å²	55	49%	0.485	32%	0.32	S	S	.	.			trans	89	4.6	179.7	0	0	0	0	0	115	S63 P64 V68	S63-G66 PolarHBondContact O-N 3.16Å; S63-G66 PolarHBondContact OG-N 2.9Å; P64-G66 VanDerWaalsContact C-N 3.26Å; G66-V68 PolarHBondContact O-N 3.29Å
67	D	88.5	Confident	90.3	Very high	110 Å²	110	54.2 Å²	54.2	59%	0.588	31%	0.311	S	S	*	.			trans	-69.2	127.8	175.2	-70.7	-37.6	0	0	0	110.5	V62 S63	V62-D67 WeakPolarHBondContact CA-O 3.44Å; S63-D67 PolarHBondContact N-O 2.97Å; S63-D67 WeakPolarHBondContact OG-CB 3.47Å; S63-D67 PolarHBondContact OG-N 3.44Å
68	V	90.9	Very high	90.5	Very high	59 Å²	59	48.5 Å²	48.5	36%	0.358	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.2	178.9	-175.5	0	0	0	0	109.6	M60 L61 V62 G66 I70 M393	M60-V68 HydrophobicContact CG-CG1 3.72Å; M60-V68 HydrophobicContact SD-CG1 4.17Å; L61-V68 WeakPolarHBondContact O-CA 3.5Å; V62-V68 HydrophobicContact CG2-CG2 4.4Å; G66-V68 PolarHBondContact O-N 3.29Å; V68-I70 HydrophobicContact CG1-CG1 4.22Å; V68-M393 HydrophobicContact CB-SD 4.3Å; V68-M393 HydrophobicContact CG1-SD 4.31Å
69	T	89.6	Confident	90.6	Very high	20 Å²	20	49 Å²	49	12%	0.123	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.2	170.5	-55.4	0	0	0	0	108.7	L61 T71	L61-T69 PolarHBondContact N-O 3.02Å; L61-T69 PolarHBondContact O-N 3.4Å; T69-T71 HydrophobicContact CG2-CG2 4.24Å
70	I	90.2	Very high	90.6	Very high	60 Å²	60	52.7 Å²	52.7	31%	0.308	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.6	173.2	-57.2	175.9	0	0	0	106.7	D58 K59 M60 V68 I177	D58-I70 HydrophobicContact CB-CG2 3.66Å; K59-I70 WeakPolarHBondContact O-CA 3.49Å; M60-I70 HydrophobicContact CB-CG1 4.37Å; M60-I70 HydrophobicContact CG-CG1 4.23Å; V68-I70 HydrophobicContact CG1-CG1 4.22Å; I70-I177 HydrophobicContact CG2-CD1 4.02Å
71	T	89.2	Confident	90.4	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	155.7	-176.2	-177.8	0	0	0	0	111.6	K59 L61 T69 D73 T76 I77 E397	K59-T71 PolarHBondContact N-O 3.4Å; K59-T71 PolarHBondContact O-N 2.81Å; K59-T71 VanDerWaalsContact O-N 3.17Å; L61-T71 HydrophobicContact CD1-CG2 4.13Å; T69-T71 HydrophobicContact CG2-CG2 4.24Å; T71-D73 PolarHBondContact OG1-N 2.86Å; T71-D73 VanDerWaalsContact OG1-N 3.12Å; T71-T76 HydrophobicContact CG2-CG2 3.8Å; T71-I77 HydrophobicContact CG2-CG1 3.74Å; T71-E397 WeakPolarHBondContact CA-OE1 3.44Å; T71-E397 WeakPolarHBondContact CB-OE1 3.38Å; T71-E397 VanDerWaalsContact CB-OE2 3.24Å; T71-E397 WeakPolarHBondContact CB-OE2 2.86Å; T71-E397 VanDerWaalsContact OG1-CD 3.26Å; T71-E397 PolarHBondContact OG1-OE1 3Å; T71-E397 PolarHBondContact OG1-OE2 3.47Å
72	N	88.1	Confident	90	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.032	33%	0.327	C	S	.	.			trans	-105.5	-8.2	170.8	-158.1	12.1	0	0	0	113.3	S51 M57 D58 G74 S175	S51-N72 VanDerWaalsContact C-OD1 3.3Å; S51-N72 WeakPolarHBondContact CA-OD1 3.44Å; S51-N72 WeakPolarHBondContact CB-OD1 3.48Å; S51-N72 VanDerWaalsContact O-CG 3.31Å; S51-N72 PolarHBondContact O-ND2 3.49Å; S51-N72 VanDerWaalsContact O-ND2 3.15Å; S51-N72 PolarHBondContact O-OD1 3.25Å; S51-N72 PolarHBondContact OG-OD1 3.36Å; S51-N72 VanDerWaalsContact OG-OD1 3.1Å; M57-N72 PolarHBondContact O-OD1 3.05Å; D58-N72 WeakPolarHBondContact OD1-CB 3.46Å; D58-N72 PolarHBondContact OD1-N 2.9Å; N72-G74 PolarHBondContact O-N 3.28Å; N72-S175 PolarHBondContact ND2-O 3.49Å
73	D	89.4	Confident	89.7	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.037	31%	0.307	C	S	.	.			trans	-74.9	122.7	-176.5	167.7	43.9	0	0	0	111.7	T71 A75 T76 I77 T106	T71-D73 PolarHBondContact OG1-N 2.86Å; T71-D73 VanDerWaalsContact OG1-N 3.12Å; D73-A75 VanDerWaalsContact C-N 3.33Å; D73-A75 PolarHBondContact O-N 3.34Å; D73-A75 PolarHBondContact OD1-N 3.5Å; D73-T76 PolarHBondContact O-N 2.97Å; D73-T76 VanDerWaalsContact OD2-CB 3.23Å; D73-T76 WeakPolarHBondContact OD2-CB 3.43Å; D73-T76 PolarHBondContact OD2-N 3.46Å; D73-T76 PolarHBondContact OD2-OG1 3.07Å; D73-I77 WeakPolarHBondContact O-CB 3.49Å; D73-I77 WeakPolarHBondContact O-CD1 3.49Å; D73-I77 WeakPolarHBondContact O-CG1 3.26Å; D73-I77 PolarHBondContact O-N 2.93Å; D73-T106 PolarHBondContact OD1-OG1 3.09Å
74	G	91.3	Very high	89.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-39.9	-177.4	0	0	0	0	0	113.4	N72 I77 L78 T106 T107	N72-G74 PolarHBondContact O-N 3.28Å; G74-I77 PolarHBondContact O-N 2.96Å; G74-L78 WeakPolarHBondContact O-CB 3.39Å; G74-L78 VanDerWaalsContact O-CG 3.28Å; G74-L78 WeakPolarHBondContact O-CG 3.48Å; G74-L78 PolarHBondContact O-N 2.92Å; G74-T106 PolarHBondContact N-OG1 2.94Å; G74-T107 WeakPolarHBondContact CA-OG1 3.27Å; G74-T107 PolarHBondContact N-OG1 3.45Å; G74-T107 VanDerWaalsContact N-OG1 3.12Å
75	A	91.9	Very high	89.5	Confident	10 Å²	10	49.8 Å²	49.8	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-45.4	-179.9	0	0	0	0	0	110.8	D73 L78 S79 S95 D99 T106	D73-A75 VanDerWaalsContact C-N 3.33Å; D73-A75 PolarHBondContact O-N 3.34Å; D73-A75 PolarHBondContact OD1-N 3.5Å; A75-L78 PolarHBondContact O-N 3.41Å; A75-S79 WeakPolarHBondContact O-CB 3.48Å; A75-S79 PolarHBondContact O-N 3.16Å; A75-S95 WeakPolarHBondContact CA-OG 3.35Å; A75-S95 PolarHBondContact N-OG 2.95Å; A75-D99 HydrophobicContact CB-CB 3.85Å; A75-T106 HydrophobicContact CB-CG2 3.78Å
76	T	90.8	Very high	89.4	Confident	15 Å²	15	45.7 Å²	45.7	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-46.7	175.6	-60.3	0	0	0	0	111.5	T71 D73 L78 S79 K80 R400	T71-T76 HydrophobicContact CG2-CG2 3.8Å; D73-T76 PolarHBondContact O-N 2.97Å; D73-T76 VanDerWaalsContact OD2-CB 3.23Å; D73-T76 WeakPolarHBondContact OD2-CB 3.43Å; D73-T76 PolarHBondContact OD2-N 3.46Å; D73-T76 PolarHBondContact OD2-OG1 3.07Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.33Å; T76-S79 PolarHBondContact O-N 3.33Å; T76-S79 PolarHBondContact O-OG 3.48Å; T76-K80 WeakPolarHBondContact O-CG 3.38Å; T76-K80 PolarHBondContact O-N 3.11Å; T76-R400 WeakPolarHBondContact OG1-CD 3.29Å
77	I	93.2	Very high	89.6	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-55.8	-50.9	177.6	-67.7	162.8	0	0	0	110.3	L48 K59 L61 T71 D73 G74 S79 K80 I81	L48-I77 HydrophobicContact CD2-CB 3.79Å; L48-I77 HydrophobicContact CD2-CD1 3.76Å; L48-I77 HydrophobicContact CD2-CG1 4.38Å; L48-I77 HydrophobicContact CD2-CG2 3.55Å; K59-I77 HydrophobicContact CB-CD1 4.09Å; K59-I77 HydrophobicContact CB-CG1 4.19Å; K59-I77 HydrophobicContact CG-CD1 3.77Å; K59-I77 HydrophobicContact CG-CG1 4.35Å; L61-I77 HydrophobicContact CD1-CB 4.32Å; L61-I77 HydrophobicContact CD1-CG1 4.22Å; L61-I77 HydrophobicContact CD1-CG2 4.42Å; T71-I77 HydrophobicContact CG2-CG1 3.74Å; D73-I77 WeakPolarHBondContact O-CB 3.49Å; D73-I77 WeakPolarHBondContact O-CD1 3.49Å; D73-I77 WeakPolarHBondContact O-CG1 3.26Å; D73-I77 PolarHBondContact O-N 2.93Å; G74-I77 PolarHBondContact O-N 2.96Å; I77-S79 PolarHBondContact O-N 2.98Å; I77-K80 PolarHBondContact O-N 2.9Å; I77-I81 HydrophobicContact CG2-CD1 3.61Å; I77-I81 HydrophobicContact CG2-CG1 4.48Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.19Å; I77-I81 PolarHBondContact O-N 3.38Å
78	L	93.5	Very high	89.7	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-70.2	-30.4	-177.4	-69.5	-177.5	0	0	0	113.7	I44 L48 G74 A75 T76 K80 I81 V92 V110	I44-L78 HydrophobicContact CG2-CD1 4.24Å; I44-L78 HydrophobicContact CG2-CD2 3.52Å; L48-L78 HydrophobicContact CD1-CD1 3.68Å; L48-L78 HydrophobicContact CD1-CD2 4.3Å; L48-L78 HydrophobicContact CD1-CG 3.89Å; L48-L78 HydrophobicContact CD2-CG 4.44Å; L48-L78 HydrophobicContact CG-CD2 4.36Å; L48-L78 HydrophobicContact CG-CG 4.39Å; G74-L78 WeakPolarHBondContact O-CB 3.39Å; G74-L78 VanDerWaalsContact O-CG 3.28Å; G74-L78 WeakPolarHBondContact O-CG 3.48Å; G74-L78 PolarHBondContact O-N 2.92Å; A75-L78 PolarHBondContact O-N 3.41Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.33Å; L78-K80 VanDerWaalsContact C-N 3.25Å; L78-K80 PolarHBondContact O-N 2.94Å; L78-I81 HydrophobicContact CD2-CD1 4.49Å; L78-V92 HydrophobicContact CB-CB 4.41Å; L78-V92 HydrophobicContact CB-CG1 4.14Å; L78-V92 HydrophobicContact CB-CG2 4.07Å; L78-V110 HydrophobicContact CD1-CG1 4.34Å; L78-V110 HydrophobicContact CD1-CG2 3.87Å
79	S	91.3	Very high	89.8	Confident	83 Å²	83	41 Å²	41	58%	0.58	22%	0.219	S	C	*	.	H	α-helix	trans	-67.3	-26.6	175.5	76.6	0	0	0	0	113.3	A75 T76 I77	A75-S79 WeakPolarHBondContact O-CB 3.48Å; A75-S79 PolarHBondContact O-N 3.16Å; T76-S79 PolarHBondContact O-N 3.33Å; T76-S79 PolarHBondContact O-OG 3.48Å; I77-S79 PolarHBondContact O-N 2.98Å
80	K	90.7	Very high	90	Very high	115 Å²	115	42 Å²	42	50%	0.5	22%	0.223	S	C	.	.	H	α-helix	trans	-93.9	-21.3	-177.9	-67.1	-70.9	-176.2	175.1	0	113	L61 T76 I77 L78	L61-K80 HydrophobicContact CD1-CB 3.85Å; L61-K80 HydrophobicContact CD1-CG 4.25Å; T76-K80 WeakPolarHBondContact O-CG 3.38Å; T76-K80 PolarHBondContact O-N 3.11Å; I77-K80 PolarHBondContact O-N 2.9Å; L78-K80 VanDerWaalsContact C-N 3.25Å; L78-K80 PolarHBondContact O-N 2.94Å
81	I	88.9	Confident	90.2	Very high	55 Å²	55	39.1 Å²	39.1	28%	0.282	21%	0.208	S	C	.	.	S	Bend	trans	-78.2	129.9	177.1	-67.1	167.1	0	0	0	109.7	T47 L61 I77 L78 V83	T47-I81 HydrophobicContact CG2-CD1 4.19Å; L61-I81 HydrophobicContact CD2-CD1 4.47Å; L61-I81 HydrophobicContact CD2-CG1 4.07Å; I77-I81 HydrophobicContact CG2-CD1 3.61Å; I77-I81 HydrophobicContact CG2-CG1 4.48Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.19Å; I77-I81 PolarHBondContact O-N 3.38Å; L78-I81 HydrophobicContact CD2-CD1 4.49Å; I81-V83 HydrophobicContact CB-CG2 4.42Å; I81-V83 HydrophobicContact CG2-CG2 3.84Å; I81-V83 PolarHBondContact O-N 3.13Å; I81-V83 VanDerWaalsContact O-N 3.11Å
82	K	83.7	Confident	90.5	Very high	208 Å²	208	40.7 Å²	40.7	90%	0.904	22%	0.218	S	C	*	.			trans	-76.1	100.2	172	-173.1	178.2	-179.9	-179.3	0	109.9
83	V	85.7	Confident	90.8	Very high	23 Å²	23	45.9 Å²	45.9	14%	0.139	24%	0.242	C	C	.	.			trans	-96.5	109.4	178	-172.7	0	0	0	0	110.6	I44 I81 G88 K89 V92	I44-V83 HydrophobicContact CD1-CG1 4.37Å; I44-V83 HydrophobicContact CD1-CG2 4.14Å; I81-V83 HydrophobicContact CB-CG2 4.42Å; I81-V83 HydrophobicContact CG2-CG2 3.84Å; I81-V83 PolarHBondContact O-N 3.13Å; I81-V83 VanDerWaalsContact O-N 3.11Å; V83-G88 VanDerWaalsContact CG1-C 3.45Å; V83-G88 VanDerWaalsContact CG1-CA 3.49Å; V83-K89 HydrophobicContact CG1-CG 4.48Å; V83-K89 WeakPolarHBondContact O-CE 3.33Å; V83-V92 HydrophobicContact CB-CG2 4.35Å; V83-V92 HydrophobicContact CG2-CG2 3.76Å
84	A	85.5	Confident	91.1	Very high	57 Å²	57	45.8 Å²	45.8	47%	0.471	24%	0.241	S	C	.	.			trans	-76.8	-43.1	176.5	0	0	0	0	0	111.8
85	N	87.4	Confident	91.3	Very high	20 Å²	20	45.8 Å²	45.8	11%	0.107	24%	0.241	C	C	.	.	S	Bend	trans	-64.1	127.2	-175.2	-172.4	-67.1	0	0	0	111.9	I87 G88 K89 S540	N85-I87 VanDerWaalsContact C-N 3.32Å; N85-I87 PolarHBondContact O-N 3.49Å; N85-I87 WeakPolarHBondContact OD1-CA 3.44Å; N85-I87 VanDerWaalsContact OD1-CB 3.29Å; N85-I87 WeakPolarHBondContact OD1-CB 3.45Å; N85-I87 PolarHBondContact OD1-N 2.94Å; N85-G88 WeakPolarHBondContact O-CA 3.45Å; N85-G88 PolarHBondContact O-N 2.86Å; N85-G88 PolarHBondContact OD1-N 3.42Å; N85-K89 PolarHBondContact O-N 3.45Å; N85-S540 WeakPolarHBondContact CA-O 3.49Å; N85-S540 WeakPolarHBondContact CB-O 3.46Å; N85-S540 PolarHBondContact ND2-O 2.97Å
86	P	89.8	Confident	91.5	Very high	62 Å²	62	51.1 Å²	51.1	40%	0.403	26%	0.263	S	S	.	.	H	α-helix	trans	-52.9	-41.6	177	-28.5	33.7	0	0	0	114.9	G88 K89 L90 Y541	P86-G88 VanDerWaalsContact C-N 3.32Å; P86-K89 WeakPolarHBondContact O-CB 3.21Å; P86-K89 PolarHBondContact O-N 2.94Å; P86-K89 VanDerWaalsContact O-N 3.14Å; P86-L90 PolarHBondContact O-N 3.35Å; P86-Y541 HydrophobicContact CG-CD2 4.45Å; P86-Y541 HydrophobicContact CG-CE2 4.05Å
87	I	91.2	Very high	91.7	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-39.8	177.1	-56.5	-63.6	0	0	0	110.5	N37 A40 A41 N85 K89 L90 M91 I526 Y541	N37-I87 HydrophobicContact CB-CD1 3.96Å; N37-I87 HydrophobicContact CB-CG1 3.79Å; N37-I87 HydrophobicContact CB-CG2 4.46Å; N37-I87 WeakPolarHBondContact O-CG2 3.37Å; A40-I87 HydrophobicContact CB-CB 4.19Å; A40-I87 HydrophobicContact CB-CG2 4.43Å; A41-I87 HydrophobicContact CB-CG2 4Å; N85-I87 VanDerWaalsContact C-N 3.32Å; N85-I87 PolarHBondContact O-N 3.49Å; N85-I87 WeakPolarHBondContact OD1-CA 3.44Å; N85-I87 VanDerWaalsContact OD1-CB 3.29Å; N85-I87 WeakPolarHBondContact OD1-CB 3.45Å; N85-I87 PolarHBondContact OD1-N 2.94Å; I87-K89 VanDerWaalsContact C-N 3.28Å; I87-K89 PolarHBondContact O-N 3.25Å; I87-L90 HydrophobicContact CD1-CD1 4.08Å; I87-L90 WeakPolarHBondContact O-CB 3.28Å; I87-L90 PolarHBondContact O-N 3.45Å; I87-L90 VanDerWaalsContact O-N 3.11Å; I87-M91 WeakPolarHBondContact O-CG 3.43Å; I87-M91 PolarHBondContact O-N 3.06Å; I87-M91 VanDerWaalsContact O-N 3.08Å; I87-I526 HydrophobicContact CD1-CG1 4.27Å; I87-I526 HydrophobicContact CD1-CG2 4.33Å; I87-I526 HydrophobicContact CG2-CD1 3.77Å; I87-I526 HydrophobicContact CG2-CG1 4.15Å; I87-I526 HydrophobicContact CG2-CG2 4.28Å; I87-Y541 VanDerWaalsContact CG1-OH 3.27Å; I87-Y541 WeakPolarHBondContact CG1-OH 3.31Å
88	G	91.4	Very high	91.8	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-41	171.9	0	0	0	0	0	111.9	V83 N85 P86 L90 M91 V92	V83-G88 VanDerWaalsContact CG1-C 3.45Å; V83-G88 VanDerWaalsContact CG1-CA 3.49Å; N85-G88 WeakPolarHBondContact O-CA 3.45Å; N85-G88 PolarHBondContact O-N 2.86Å; N85-G88 PolarHBondContact OD1-N 3.42Å; P86-G88 VanDerWaalsContact C-N 3.32Å; G88-L90 VanDerWaalsContact C-N 3.31Å; G88-L90 PolarHBondContact O-N 3.36Å; G88-M91 WeakPolarHBondContact O-CB 3.45Å; G88-M91 PolarHBondContact O-N 3.28Å; G88-M91 VanDerWaalsContact O-N 3.1Å; G88-V92 WeakPolarHBondContact O-CG2 3.24Å; G88-V92 PolarHBondContact O-N 3.48Å
89	K	92.6	Very high	91.9	Very high	112 Å²	112	54.5 Å²	54.5	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-36.3	174.3	-65	177.6	-176.6	173.1	0	112.5	V83 N85 P86 I87 M91 V92 Q93	V83-K89 HydrophobicContact CG1-CG 4.48Å; V83-K89 WeakPolarHBondContact O-CE 3.33Å; N85-K89 PolarHBondContact O-N 3.45Å; P86-K89 WeakPolarHBondContact O-CB 3.21Å; P86-K89 PolarHBondContact O-N 2.94Å; P86-K89 VanDerWaalsContact O-N 3.14Å; I87-K89 VanDerWaalsContact C-N 3.28Å; I87-K89 PolarHBondContact O-N 3.25Å; K89-M91 VanDerWaalsContact C-N 3.32Å; K89-V92 PolarHBondContact O-N 2.98Å; K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 2.75Å
90	L	94.3	Very high	92	Very high	39 Å²	39	55.3 Å²	55.3	20%	0.204	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-39	173	-63.2	173.8	0	0	0	111.6	P86 I87 G88 Q93 L94 M525 I526	P86-L90 PolarHBondContact O-N 3.35Å; I87-L90 HydrophobicContact CD1-CD1 4.08Å; I87-L90 WeakPolarHBondContact O-CB 3.28Å; I87-L90 PolarHBondContact O-N 3.45Å; I87-L90 VanDerWaalsContact O-N 3.11Å; G88-L90 VanDerWaalsContact C-N 3.31Å; G88-L90 PolarHBondContact O-N 3.36Å; L90-Q93 PolarHBondContact O-N 3.47Å; L90-L94 WeakPolarHBondContact O-CB 3.44Å; L90-L94 PolarHBondContact O-N 2.82Å; L90-M525 HydrophobicContact CD1-CE 3.99Å; L90-M525 HydrophobicContact CD2-CE 3.8Å; L90-M525 HydrophobicContact CG-CE 4.33Å; L90-I526 HydrophobicContact CD1-CG1 4.12Å
91	M	95.2	Very high	92	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-36.3	174.5	-59.2	-61.4	-69	0	0	112.3	A41 I44 I87 G88 K89 L94 S95 V110 A113 V522 I526	A41-M91 HydrophobicContact CB-CE 4.42Å; A41-M91 HydrophobicContact CB-CG 4.03Å; A41-M91 HydrophobicContact CB-SD 3.9Å; I44-M91 HydrophobicContact CB-CB 4.32Å; I44-M91 HydrophobicContact CG2-CB 3.85Å; I87-M91 WeakPolarHBondContact O-CG 3.43Å; I87-M91 PolarHBondContact O-N 3.06Å; I87-M91 VanDerWaalsContact O-N 3.08Å; G88-M91 WeakPolarHBondContact O-CB 3.45Å; G88-M91 PolarHBondContact O-N 3.28Å; G88-M91 VanDerWaalsContact O-N 3.1Å; K89-M91 VanDerWaalsContact C-N 3.32Å; M91-L94 HydrophobicContact CE-CD2 4.38Å; M91-L94 WeakPolarHBondContact O-CB 3.26Å; M91-L94 PolarHBondContact O-N 3.07Å; M91-S95 PolarHBondContact O-N 2.91Å; M91-V110 HydrophobicContact CE-CB 4.46Å; M91-V110 HydrophobicContact CE-CG1 3.66Å; M91-V110 WeakPolarHBondContact CE-O 3.35Å; M91-A113 HydrophobicContact CE-CB 3.7Å; M91-A113 HydrophobicContact SD-CB 4.36Å; M91-V522 HydrophobicContact SD-CG1 4.16Å; M91-I526 HydrophobicContact SD-CD1 4.14Å
92	V	94.8	Very high	92.2	Very high	33 Å²	33	53.3 Å²	53.3	20%	0.2	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-45.8	171.9	179.5	0	0	0	0	110.6	L78 V83 G88 K89 L94 S95 K96	L78-V92 HydrophobicContact CB-CB 4.41Å; L78-V92 HydrophobicContact CB-CG1 4.14Å; L78-V92 HydrophobicContact CB-CG2 4.07Å; V83-V92 HydrophobicContact CB-CG2 4.35Å; V83-V92 HydrophobicContact CG2-CG2 3.76Å; G88-V92 WeakPolarHBondContact O-CG2 3.24Å; G88-V92 PolarHBondContact O-N 3.48Å; K89-V92 PolarHBondContact O-N 2.98Å; V92-L94 VanDerWaalsContact C-N 3.33Å; V92-L94 PolarHBondContact O-N 3.44Å; V92-S95 PolarHBondContact O-N 3.34Å; V92-K96 PolarHBondContact O-N 3.03Å
93	Q	94.8	Very high	92.6	Very high	115 Å²	115	43.4 Å²	43.4	54%	0.537	23%	0.231	S	C	.	.	H	α-helix	trans	-62.2	-39.8	177.2	-74.5	176	-16.8	0	0	112	K89 L90 S95 K96 S97	K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 2.75Å; L90-Q93 PolarHBondContact O-N 3.47Å; Q93-S95 PolarHBondContact O-N 3.32Å; Q93-K96 PolarHBondContact O-N 2.92Å; Q93-S97 WeakPolarHBondContact O-CB 3.4Å; Q93-S97 PolarHBondContact O-N 3.34Å; Q93-S97 PolarHBondContact O-OG 3.14Å; Q93-S97 VanDerWaalsContact O-OG 3.13Å
94	L	96.1	Very high	92.8	Very high	5 Å²	5	44 Å²	44	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-55.4	-51.2	174.6	173.8	58.8	0	0	0	111.9	L90 M91 V92 K96 S97 Q98 V109 A113 L518 V522	L90-L94 WeakPolarHBondContact O-CB 3.44Å; L90-L94 PolarHBondContact O-N 2.82Å; M91-L94 HydrophobicContact CE-CD2 4.38Å; M91-L94 WeakPolarHBondContact O-CB 3.26Å; M91-L94 PolarHBondContact O-N 3.07Å; V92-L94 VanDerWaalsContact C-N 3.33Å; V92-L94 PolarHBondContact O-N 3.44Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-S97 PolarHBondContact O-N 3.06Å; L94-Q98 PolarHBondContact O-N 3.08Å; L94-Q98 VanDerWaalsContact O-N 3.12Å; L94-V109 HydrophobicContact CD1-CG2 3.65Å; L94-V109 HydrophobicContact CD2-CG2 4.16Å; L94-V109 HydrophobicContact CG-CG1 4.3Å; L94-V109 HydrophobicContact CG-CG2 3.92Å; L94-A113 HydrophobicContact CD2-CB 3.53Å; L94-L518 HydrophobicContact CD1-CB 3.51Å; L94-L518 HydrophobicContact CD1-CD1 4.45Å; L94-V522 HydrophobicContact CB-CG2 4.13Å; L94-V522 HydrophobicContact CD1-CB 4.4Å; L94-V522 HydrophobicContact CD1-CG2 3.8Å; L94-V522 HydrophobicContact CD2-CB 4.14Å; L94-V522 HydrophobicContact CD2-CG1 4.19Å; L94-V522 HydrophobicContact CD2-CG2 4.28Å; L94-V522 HydrophobicContact CG-CG2 4.29Å
95	S	95.4	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-42.6	179.5	-163.7	0	0	0	0	111.5	A75 M91 V92 Q93 Q98 D99 T106	A75-S95 WeakPolarHBondContact CA-OG 3.35Å; A75-S95 PolarHBondContact N-OG 2.95Å; M91-S95 PolarHBondContact O-N 2.91Å; V92-S95 PolarHBondContact O-N 3.34Å; Q93-S95 PolarHBondContact O-N 3.32Å; S95-Q98 WeakPolarHBondContact O-CB 3.29Å; S95-Q98 PolarHBondContact O-N 3.11Å; S95-D99 PolarHBondContact O-N 3.28Å; S95-T106 PolarHBondContact OG-O 3.41Å
96	K	95.1	Very high	93.4	Very high	122 Å²	122	41.3 Å²	41.3	53%	0.53	21%	0.214	S	C	.	.	H	α-helix	trans	-63.9	-42	176.8	-172.7	-179.8	177.6	-175.7	0	112.7	V92 Q93 L94 Q98 D99 D100	V92-K96 PolarHBondContact O-N 3.03Å; Q93-K96 PolarHBondContact O-N 2.92Å; L94-K96 VanDerWaalsContact C-N 3.34Å; K96-Q98 VanDerWaalsContact C-N 3.28Å; K96-Q98 PolarHBondContact O-N 3.41Å; K96-D99 WeakPolarHBondContact O-CB 3.33Å; K96-D99 PolarHBondContact O-N 3.45Å; K96-D99 VanDerWaalsContact O-N 3.15Å; K96-D100 WeakPolarHBondContact CE-OD2 3.43Å; K96-D100 PolarHBondContact O-N 2.86Å
97	S	95.6	Very high	93.6	Very high	53 Å²	53	39 Å²	39	37%	0.371	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-35.4	176.9	-67.8	0	0	0	0	112.2	Q93 L94 E101	Q93-S97 WeakPolarHBondContact O-CB 3.4Å; Q93-S97 PolarHBondContact O-N 3.34Å; Q93-S97 PolarHBondContact O-OG 3.14Å; Q93-S97 VanDerWaalsContact O-OG 3.13Å; L94-S97 PolarHBondContact O-N 3.06Å; S97-E101 WeakPolarHBondContact O-CB 3.5Å; S97-E101 WeakPolarHBondContact O-CG 3.38Å; S97-E101 PolarHBondContact O-N 3.01Å; S97-E101 VanDerWaalsContact O-N 3.17Å
98	Q	96	Very high	93.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-41	172.4	-178.2	67.8	24	0	0	111.3	L94 S95 K96 I102 G103 D104 V109 L518	L94-Q98 PolarHBondContact O-N 3.08Å; L94-Q98 VanDerWaalsContact O-N 3.12Å; S95-Q98 WeakPolarHBondContact O-CB 3.29Å; S95-Q98 PolarHBondContact O-N 3.11Å; K96-Q98 VanDerWaalsContact C-N 3.28Å; K96-Q98 PolarHBondContact O-N 3.41Å; Q98-I102 WeakPolarHBondContact O-CA 3.46Å; Q98-I102 WeakPolarHBondContact O-CB 3.33Å; Q98-I102 PolarHBondContact O-N 3.21Å; Q98-G103 PolarHBondContact O-N 3.42Å; Q98-G103 VanDerWaalsContact O-N 3.1Å; Q98-D104 WeakPolarHBondContact CG-O 3.48Å; Q98-D104 PolarHBondContact NE2-O 3.4Å; Q98-V109 HydrophobicContact CB-CG1 3.91Å; Q98-V109 HydrophobicContact CG-CB 4.46Å; Q98-V109 HydrophobicContact CG-CG1 4.04Å; Q98-L518 HydrophobicContact CB-CD1 4.31Å
99	D	94.5	Very high	94	Very high	37 Å²	37	39.1 Å²	39.1	20%	0.198	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-48.4	177.4	-166.2	42.6	0	0	0	112.4	A75 S95 K96 E101 G103 T106	A75-D99 HydrophobicContact CB-CB 3.85Å; S95-D99 PolarHBondContact O-N 3.28Å; K96-D99 WeakPolarHBondContact O-CB 3.33Å; K96-D99 PolarHBondContact O-N 3.45Å; K96-D99 VanDerWaalsContact O-N 3.15Å; D99-E101 PolarHBondContact O-N 2.84Å; D99-G103 WeakPolarHBondContact O-CA 3.38Å; D99-G103 PolarHBondContact O-N 3.29Å; D99-T106 HydrophobicContact CB-CG2 3.75Å
100	D	93.1	Very high	94.3	Very high	100 Å²	100	33.8 Å²	33.8	54%	0.535	18%	0.178	S	C	.	.	H	α-helix	trans	-65	-41.3	-178.4	-69.7	-24.8	0	0	0	112	K96	K96-D100 WeakPolarHBondContact CE-OD2 3.43Å; K96-D100 PolarHBondContact O-N 2.86Å
101	E	91.4	Very high	94.4	Very high	120 Å²	120	32.3 Å²	32.3	56%	0.561	17%	0.17	S	C	*	.	H	α-helix	trans	-83.6	-48.2	-176.7	-68.2	-66.8	157.7	0	0	112.8	S97 D99 R410	S97-E101 WeakPolarHBondContact O-CB 3.5Å; S97-E101 WeakPolarHBondContact O-CG 3.38Å; S97-E101 PolarHBondContact O-N 3.01Å; S97-E101 VanDerWaalsContact O-N 3.17Å; D99-E101 PolarHBondContact O-N 2.84Å; E101-R410 PolarHBondContact O-NH2 3.27Å
102	I	93.2	Very high	94.5	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.041	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-38.9	-172.1	-57	-55.5	0	0	0	111.8	Q98 D104 C407 R410 N411 I510 Q514	Q98-I102 WeakPolarHBondContact O-CA 3.46Å; Q98-I102 WeakPolarHBondContact O-CB 3.33Å; Q98-I102 PolarHBondContact O-N 3.21Å; I102-D104 VanDerWaalsContact C-N 3.28Å; I102-D104 HydrophobicContact CG2-CB 4.47Å; I102-C407 WeakPolarHBondContact O-CB 3.22Å; I102-R410 PolarHBondContact O-NH2 2.9Å; I102-N411 WeakPolarHBondContact CG2-ND2 3.09Å; I102-N411 PolarHBondContact O-ND2 3.46Å; I102-I510 HydrophobicContact CD1-CG2 3.59Å; I102-Q514 HydrophobicContact CD1-CB 3.99Å; I102-Q514 HydrophobicContact CD1-CG 4.15Å; I102-Q514 HydrophobicContact CG1-CB 3.79Å; I102-Q514 HydrophobicContact CG1-CG 3.77Å
103	G	90.9	Very high	94.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	72.9	16	-175.2	0	0	0	0	0	114.6	Q98 D99 D404	Q98-G103 PolarHBondContact O-N 3.42Å; Q98-G103 VanDerWaalsContact O-N 3.1Å; D99-G103 WeakPolarHBondContact O-CA 3.38Å; D99-G103 PolarHBondContact O-N 3.29Å; G103-D404 WeakPolarHBondContact O-CA 3.47Å; G103-D404 WeakPolarHBondContact O-CB 3.34Å
104	D	90.3	Very high	94.8	Very high	36 Å²	36	25.5 Å²	25.5	19%	0.193	14%	0.138	C	C	.	.	S	Bend	trans	-153.7	159.2	174.6	-169.1	31.7	0	0	0	111.5	Q98 I102 V408	Q98-D104 WeakPolarHBondContact CG-O 3.48Å; Q98-D104 PolarHBondContact NE2-O 3.4Å; I102-D104 VanDerWaalsContact C-N 3.28Å; I102-D104 HydrophobicContact CG2-CB 4.47Å; D104-V408 HydrophobicContact CB-CG2 3.76Å
105	G	92.1	Very high	94.9	Very high	13 Å²	13	25.8 Å²	25.8	13%	0.134	14%	0.141	C	C	.	.			trans	76.6	20.8	176.9	0	0	0	0	0	114.8	T107 G108 V109 Q515	G105-T107 VanDerWaalsContact C-N 3.32Å; G105-T107 PolarHBondContact O-N 2.99Å; G105-G108 PolarHBondContact O-N 3.24Å; G105-V109 PolarHBondContact O-N 2.9Å; G105-V109 VanDerWaalsContact O-N 3.12Å; G105-Q515 PolarHBondContact O-NE2 3.44Å
106	T	93.5	Very high	95	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-60.9	-34	-177.9	58.5	0	0	0	0	113.5	D73 G74 A75 S95 D99 V109 V110	D73-T106 PolarHBondContact OD1-OG1 3.09Å; G74-T106 PolarHBondContact N-OG1 2.94Å; A75-T106 HydrophobicContact CB-CG2 3.78Å; S95-T106 PolarHBondContact OG-O 3.41Å; D99-T106 HydrophobicContact CB-CG2 3.75Å; T106-V109 VanDerWaalsContact O-CG1 3.31Å; T106-V109 WeakPolarHBondContact O-CG1 3.36Å; T106-V110 WeakPolarHBondContact O-CG2 3.48Å
107	T	94.1	Very high	95.1	Very high	13 Å²	13	20 Å²	20	8%	0.08	12%	0.115	C	C	.	.	H	α-helix	trans	-76.4	-48.2	175.2	-53.2	0	0	0	0	111.1	L48 L52 G74 G105 V109 V110 V111	L48-T107 HydrophobicContact CB-CG2 4.07Å; L48-T107 WeakPolarHBondContact O-CG2 3.5Å; L52-T107 HydrophobicContact CB-CG2 4.17Å; L52-T107 HydrophobicContact CD1-CG2 4.01Å; G74-T107 WeakPolarHBondContact CA-OG1 3.27Å; G74-T107 PolarHBondContact N-OG1 3.45Å; G74-T107 VanDerWaalsContact N-OG1 3.12Å; G105-T107 VanDerWaalsContact C-N 3.32Å; G105-T107 PolarHBondContact O-N 2.99Å; T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 PolarHBondContact O-N 3.41Å; T107-V110 PolarHBondContact O-N 3.05Å; T107-V111 HydrophobicContact CG2-CG2 4.46Å; T107-V111 WeakPolarHBondContact O-CG2 3.42Å; T107-V111 PolarHBondContact O-N 3.37Å; T107-V111 VanDerWaalsContact O-N 3.09Å
108	G	94.7	Very high	95.2	Very high	8 Å²	8	21.1 Å²	21.1	8%	0.082	12%	0.115	C	C	.	.	H	α-helix	trans	-60.8	-39.4	-176.3	0	0	0	0	0	113.2	G105 V110 V111 L112	G105-G108 PolarHBondContact O-N 3.24Å; G108-V110 VanDerWaalsContact C-N 3.33Å; G108-V110 PolarHBondContact O-N 3.47Å; G108-V111 PolarHBondContact O-N 2.98Å; G108-L112 WeakPolarHBondContact O-CB 3.4Å; G108-L112 PolarHBondContact O-N 3.43Å
109	V	97	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.4	-37.9	178.8	69.1	0	0	0	0	112.5	L94 Q98 G105 T106 T107 A113 Q515 L518 A519	L94-V109 HydrophobicContact CD1-CG2 3.65Å; L94-V109 HydrophobicContact CD2-CG2 4.16Å; L94-V109 HydrophobicContact CG-CG1 4.3Å; L94-V109 HydrophobicContact CG-CG2 3.92Å; Q98-V109 HydrophobicContact CB-CG1 3.91Å; Q98-V109 HydrophobicContact CG-CB 4.46Å; Q98-V109 HydrophobicContact CG-CG1 4.04Å; G105-V109 PolarHBondContact O-N 2.9Å; G105-V109 VanDerWaalsContact O-N 3.12Å; T106-V109 VanDerWaalsContact O-CG1 3.31Å; T106-V109 WeakPolarHBondContact O-CG1 3.36Å; T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 PolarHBondContact O-N 3.41Å; V109-A113 WeakPolarHBondContact O-CB 3.49Å; V109-A113 PolarHBondContact O-N 2.95Å; V109-Q515 HydrophobicContact CB-CB 4.43Å; V109-Q515 HydrophobicContact CB-CG 4.27Å; V109-L518 HydrophobicContact CG2-CB 4.14Å; V109-A519 HydrophobicContact CG2-CB 4.08Å
110	V	97.3	Very high	95.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-73.8	-42	179.4	179.8	0	0	0	0	110.7	I44 A45 L48 L78 M91 T106 T107 G108 A113 G114	I44-V110 HydrophobicContact CG2-CG1 4.12Å; A45-V110 HydrophobicContact CB-CG1 4.42Å; L48-V110 HydrophobicContact CD1-CB 3.91Å; L48-V110 HydrophobicContact CD1-CG1 3.92Å; L48-V110 HydrophobicContact CD1-CG2 4.06Å; L78-V110 HydrophobicContact CD1-CG1 4.34Å; L78-V110 HydrophobicContact CD1-CG2 3.87Å; M91-V110 HydrophobicContact CE-CB 4.46Å; M91-V110 HydrophobicContact CE-CG1 3.66Å; M91-V110 WeakPolarHBondContact CE-O 3.35Å; T106-V110 WeakPolarHBondContact O-CG2 3.48Å; T107-V110 PolarHBondContact O-N 3.05Å; G108-V110 VanDerWaalsContact C-N 3.33Å; G108-V110 PolarHBondContact O-N 3.47Å; V110-A113 PolarHBondContact O-N 2.95Å; V110-G114 PolarHBondContact O-N 3.38Å
111	V	97.1	Very high	95.3	Very high	8 Å²	8	18.4 Å²	18.4	5%	0.048	10%	0.098	C	C	.	.	H	α-helix	trans	-61.3	-45.9	176.1	175.5	0	0	0	0	110.3	T107 G108 G114 A115 I458	T107-V111 HydrophobicContact CG2-CG2 4.46Å; T107-V111 WeakPolarHBondContact O-CG2 3.42Å; T107-V111 PolarHBondContact O-N 3.37Å; T107-V111 VanDerWaalsContact O-N 3.09Å; G108-V111 PolarHBondContact O-N 2.98Å; V111-G114 PolarHBondContact O-N 3.05Å; V111-A115 WeakPolarHBondContact O-CB 3.37Å; V111-A115 PolarHBondContact O-N 3.27Å; V111-I458 HydrophobicContact CB-CD1 4.06Å; V111-I458 HydrophobicContact CG1-CD1 3.81Å
112	L	98.1	Very high	95.5	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-44.7	177.5	-179.3	59	0	0	0	112	G108 G114 A115 L116 L455 I458 F516 A519	G108-L112 WeakPolarHBondContact O-CB 3.4Å; G108-L112 PolarHBondContact O-N 3.43Å; L112-G114 VanDerWaalsContact C-N 3.34Å; L112-G114 PolarHBondContact O-N 3.42Å; L112-A115 PolarHBondContact O-N 3.22Å; L112-L116 HydrophobicContact CD1-CG 4.44Å; L112-L116 HydrophobicContact CG-CD1 4.29Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 3.03Å; L112-L455 HydrophobicContact CD1-CD2 4.15Å; L112-L455 HydrophobicContact CD2-CD2 4.48Å; L112-I458 HydrophobicContact CB-CD1 4.23Å; L112-F516 HydrophobicContact CD2-CD1 3.74Å; L112-F516 HydrophobicContact CD2-CE1 4.19Å; L112-F516 HydrophobicContact CD2-CG 4.5Å; L112-A519 HydrophobicContact CB-CB 4.09Å; L112-A519 HydrophobicContact CD2-CB 3.86Å; L112-A519 HydrophobicContact CG-CB 3.85Å
113	A	98	Very high	95.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.6	-41.5	176.7	0	0	0	0	0	112.1	M91 L94 V109 V110 A115 L116 L117 A519	M91-A113 HydrophobicContact CE-CB 3.7Å; M91-A113 HydrophobicContact SD-CB 4.36Å; L94-A113 HydrophobicContact CD2-CB 3.53Å; V109-A113 WeakPolarHBondContact O-CB 3.49Å; V109-A113 PolarHBondContact O-N 2.95Å; V110-A113 PolarHBondContact O-N 2.95Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-L116 PolarHBondContact O-N 3.32Å; A113-L117 WeakPolarHBondContact O-CG 3.48Å; A113-L117 PolarHBondContact O-N 3.15Å; A113-L117 VanDerWaalsContact O-N 3.09Å; A113-A519 HydrophobicContact CB-CB 4.01Å
114	G	97.3	Very high	95.7	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.031	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-40.2	174	0	0	0	0	0	112.9	V110 V111 L112 L117 Q118	V110-G114 PolarHBondContact O-N 3.38Å; V111-G114 PolarHBondContact O-N 3.05Å; L112-G114 VanDerWaalsContact C-N 3.34Å; L112-G114 PolarHBondContact O-N 3.42Å; G114-L117 PolarHBondContact O-N 2.87Å; G114-Q118 WeakPolarHBondContact O-CB 3.43Å; G114-Q118 PolarHBondContact O-N 2.86Å
115	A	97.6	Very high	95.8	Very high	11 Å²	11	19.3 Å²	19.3	9%	0.091	11%	0.105	C	C	.	.	H	α-helix	trans	-67.5	-42.8	177	0	0	0	0	0	112.5	V111 L112 A113 L117 Q118 Q119 A454 S457	V111-A115 WeakPolarHBondContact O-CB 3.37Å; V111-A115 PolarHBondContact O-N 3.27Å; L112-A115 PolarHBondContact O-N 3.22Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A115-L117 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 3.46Å; A115-Q118 PolarHBondContact O-N 3.46Å; A115-Q119 WeakPolarHBondContact O-CG 3.32Å; A115-Q119 PolarHBondContact O-N 3.37Å; A115-A454 HydrophobicContact CB-CB 4.15Å; A115-S457 WeakPolarHBondContact CB-OG 3.25Å
116	L	98.3	Very high	95.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.7	-44.4	174	-75	168.2	0	0	0	111.2	L112 A113 Q119 A120 Y137 F451 A454 A519 A523	L112-L116 HydrophobicContact CD1-CG 4.44Å; L112-L116 HydrophobicContact CG-CD1 4.29Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 3.03Å; A113-L116 PolarHBondContact O-N 3.32Å; L116-Q119 PolarHBondContact O-N 2.98Å; L116-A120 WeakPolarHBondContact O-CB 3.38Å; L116-A120 PolarHBondContact O-N 3.42Å; L116-Y137 HydrophobicContact CB-CE2 4.12Å; L116-Y137 HydrophobicContact CD2-CD2 4.15Å; L116-Y137 HydrophobicContact CD2-CE2 4.03Å; L116-Y137 WeakPolarHBondContact O-CE2 3.33Å; L116-Y137 PolarHBondContact O-OH 2.88Å; L116-Y137 VanDerWaalsContact O-OH 3.05Å; L116-F451 HydrophobicContact CD1-CE2 4.38Å; L116-F451 HydrophobicContact CD2-CD2 3.38Å; L116-F451 HydrophobicContact CD2-CE2 3.7Å; L116-F451 HydrophobicContact CD2-CG 4.15Å; L116-A454 HydrophobicContact CB-CB 4.45Å; L116-A454 HydrophobicContact CD2-CB 3.57Å; L116-A454 HydrophobicContact CG-CB 3.88Å; L116-A519 HydrophobicContact CD1-CB 4.25Å; L116-A523 HydrophobicContact CB-CB 3.91Å; L116-A523 HydrophobicContact CD1-CB 4.23Å
117	L	97.4	Very high	95.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-38.9	177.9	-73	170.9	0	0	0	112.7	V38 A41 A113 G114 A115 A120 E121 A523 I526 L527	V38-L117 HydrophobicContact CB-CB 4.49Å; V38-L117 HydrophobicContact CG1-CB 4.09Å; V38-L117 WeakPolarHBondContact CG1-O 3.33Å; V38-L117 HydrophobicContact CG2-CB 4.11Å; V38-L117 HydrophobicContact CG2-CD2 4.23Å; A41-L117 HydrophobicContact CB-CD1 3.33Å; A113-L117 WeakPolarHBondContact O-CG 3.48Å; A113-L117 PolarHBondContact O-N 3.15Å; A113-L117 VanDerWaalsContact O-N 3.09Å; G114-L117 PolarHBondContact O-N 2.87Å; A115-L117 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 3.46Å; L117-A120 PolarHBondContact O-N 2.69Å; L117-E121 PolarHBondContact O-N 2.84Å; L117-A523 HydrophobicContact CD2-CB 4.17Å; L117-A523 HydrophobicContact CG-CB 4.17Å; L117-I526 HydrophobicContact CD1-CB 4.44Å; L117-I526 HydrophobicContact CD1-CD1 3.7Å; L117-I526 HydrophobicContact CD1-CG2 4.19Å; L117-I526 HydrophobicContact CD2-CB 3.99Å; L117-I526 HydrophobicContact CD2-CG2 3.77Å; L117-L527 HydrophobicContact CD2-CD2 4.2Å; L117-L527 HydrophobicContact CD2-CG 4.04Å
118	Q	96.3	Very high	95.7	Very high	76 Å²	76	29.5 Å²	29.5	36%	0.355	16%	0.158	S	C	.	.	H	α-helix	trans	-62.9	-41.8	174.2	179.6	172.7	-11.3	0	0	112.3	R42 G114 A115 A120 E121 T122	R42-Q118 HydrophobicContact CG-CB 4.28Å; G114-Q118 WeakPolarHBondContact O-CB 3.43Å; G114-Q118 PolarHBondContact O-N 2.86Å; A115-Q118 PolarHBondContact O-N 3.46Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; Q118-E121 PolarHBondContact O-N 3.45Å; Q118-T122 PolarHBondContact O-OG1 2.91Å
119	Q	97	Very high	95.6	Very high	46 Å²	46	34.5 Å²	34.5	22%	0.215	18%	0.179	C	C	.	.	H	α-helix	trans	-68.6	-37.2	176.9	-66.5	-63.1	-11.1	0	0	111.3	A115 L116 E121 T122 L123 A450 D453 A454	A115-Q119 WeakPolarHBondContact O-CG 3.32Å; A115-Q119 PolarHBondContact O-N 3.37Å; L116-Q119 PolarHBondContact O-N 2.98Å; Q119-E121 PolarHBondContact O-N 3.38Å; Q119-T122 WeakPolarHBondContact O-CB 3.49Å; Q119-T122 PolarHBondContact O-N 3.18Å; Q119-L123 PolarHBondContact O-N 3.37Å; Q119-A450 HydrophobicContact CB-CB 3.92Å; Q119-A450 WeakPolarHBondContact CB-O 3.46Å; Q119-A450 WeakPolarHBondContact CG-O 3.23Å; Q119-D453 HydrophobicContact CG-CB 4.28Å; Q119-A454 HydrophobicContact CG-CB 4.07Å
120	A	96	Very high	95.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-42.7	175.5	0	0	0	0	0	112.2	L116 L117 Q118 T122 L123 L124 V133 Y137 L527	L116-A120 WeakPolarHBondContact O-CB 3.38Å; L116-A120 PolarHBondContact O-N 3.42Å; L117-A120 PolarHBondContact O-N 2.69Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; A120-T122 PolarHBondContact O-N 2.94Å; A120-L123 WeakPolarHBondContact O-CA 3.24Å; A120-L123 WeakPolarHBondContact O-CB 3.47Å; A120-L123 PolarHBondContact O-N 3.22Å; A120-L124 WeakPolarHBondContact O-CG 3.28Å; A120-L124 PolarHBondContact O-N 3.26Å; A120-V133 HydrophobicContact CB-CG1 3.89Å; A120-Y137 WeakPolarHBondContact CA-OH 3.42Å; A120-Y137 HydrophobicContact CB-CE2 4.05Å; A120-Y137 PolarHBondContact N-OH 3.49Å; A120-L527 HydrophobicContact CB-CD1 3.78Å; A120-L527 HydrophobicContact CB-CD2 3.63Å; A120-L527 HydrophobicContact CB-CG 4.29Å
121	E	94.6	Very high	95.2	Very high	34 Å²	34	38 Å²	38	16%	0.159	20%	0.201	C	C	.	.	H	α-helix	trans	-51.3	-44.7	175.3	176.8	175.7	-156.3	0	0	111.9	K35 V38 R42 L117 Q118 Q119 L123 L124 E125	K35-E121 HydrophobicContact CG-CG 4.42Å; V38-E121 HydrophobicContact CG1-CB 4.09Å; R42-E121 IonicContact CZ-OE2 3.55Å; R42-E121 IonicContact NH1-OE2 2.69Å; R42-E121 PolarHBondContact NH1-OE2 3.27Å; L117-E121 PolarHBondContact O-N 2.84Å; Q118-E121 PolarHBondContact O-N 3.45Å; Q119-E121 PolarHBondContact O-N 3.38Å; E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 3.36Å; E121-L124 PolarHBondContact O-N 2.94Å; E121-E125 WeakPolarHBondContact O-CG 3.48Å; E121-E125 PolarHBondContact O-N 3.36Å
122	T	94.3	Very high	95.1	Very high	51 Å²	51	43.5 Å²	43.5	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-63.7	-34.3	177.7	-53.8	0	0	0	0	112.4	Q118 Q119 A120 R126	Q118-T122 PolarHBondContact O-OG1 2.91Å; Q119-T122 WeakPolarHBondContact O-CB 3.49Å; Q119-T122 PolarHBondContact O-N 3.18Å; A120-T122 PolarHBondContact O-N 2.94Å; T122-R126 WeakPolarHBondContact O-CG 3.24Å; T122-R126 PolarHBondContact O-N 2.93Å
123	L	94.9	Very high	95	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-74	-37.4	176.5	-62.2	-173.9	0	0	0	112.5	Q119 A120 E121 E125 R126 G127 I128 V133 A450	Q119-L123 PolarHBondContact O-N 3.37Å; A120-L123 WeakPolarHBondContact O-CA 3.24Å; A120-L123 WeakPolarHBondContact O-CB 3.47Å; A120-L123 PolarHBondContact O-N 3.22Å; E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 3.36Å; L123-E125 VanDerWaalsContact C-N 3.33Å; L123-R126 PolarHBondContact O-N 2.96Å; L123-G127 PolarHBondContact O-N 3.05Å; L123-I128 HydrophobicContact CB-CB 4.4Å; L123-I128 HydrophobicContact CB-CD1 4.23Å; L123-I128 HydrophobicContact CD2-CD1 4.13Å; L123-I128 WeakPolarHBondContact O-CB 3.49Å; L123-I128 PolarHBondContact O-N 3.49Å; L123-I128 VanDerWaalsContact O-N 3.13Å; L123-V133 HydrophobicContact CB-CG2 3.97Å; L123-V133 HydrophobicContact CD1-CG1 3.93Å; L123-V133 HydrophobicContact CD1-CG2 3.98Å; L123-A450 HydrophobicContact CD1-CB 3.62Å; L123-A450 HydrophobicContact CD2-CB 4.39Å; L123-A450 HydrophobicContact CG-CB 4.11Å
124	L	93.7	Very high	94.9	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-39.8	176.5	-62.9	-179.7	0	0	0	111.2	V31 I34 A120 E121 R126 G127 I128 P130 V133 L527	V31-L124 HydrophobicContact CG1-CB 4.29Å; I34-L124 HydrophobicContact CB-CD1 4.15Å; I34-L124 HydrophobicContact CD1-CD1 4.41Å; I34-L124 HydrophobicContact CG2-CD1 3.46Å; I34-L124 VanDerWaalsContact CG2-CD1 3.46Å; A120-L124 WeakPolarHBondContact O-CG 3.28Å; A120-L124 PolarHBondContact O-N 3.26Å; E121-L124 PolarHBondContact O-N 2.94Å; L124-R126 PolarHBondContact O-N 3.01Å; L124-G127 WeakPolarHBondContact O-CA 3.28Å; L124-G127 PolarHBondContact O-N 3.32Å; L124-I128 VanDerWaalsContact CD2-O 3.26Å; L124-I128 WeakPolarHBondContact CD2-O 3.49Å; L124-P130 HydrophobicContact CD2-CB 3.93Å; L124-P130 HydrophobicContact CD2-CG 3.56Å; L124-V133 HydrophobicContact CD2-CG2 4.45Å; L124-L527 HydrophobicContact CD1-CD2 4.26Å
125	E	92.3	Very high	94.8	Very high	117 Å²	117	46.1 Å²	46.1	55%	0.547	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-29.1	174.6	-72.6	-176.1	161.4	0	0	113.3	K35 E121 L123 G127	K35-E125 VanDerWaalsContact NZ-CG 3.33Å; K35-E125 IonicContact NZ-OE1 3.41Å; K35-E125 PolarHBondContact NZ-OE1 3.17Å; E121-E125 WeakPolarHBondContact O-CG 3.48Å; E121-E125 PolarHBondContact O-N 3.36Å; L123-E125 VanDerWaalsContact C-N 3.33Å; E125-G127 PolarHBondContact O-N 3.39Å
126	R	92.1	Very high	94.7	Very high	168 Å²	168	45.7 Å²	45.7	63%	0.634	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	3.4	173.1	-65	175.3	-175.5	-177.5	3.9	113.3	T122 L123 L124	T122-R126 WeakPolarHBondContact O-CG 3.24Å; T122-R126 PolarHBondContact O-N 2.93Å; L123-R126 PolarHBondContact O-N 2.96Å; L124-R126 PolarHBondContact O-N 3.01Å
127	G	91.7	Very high	94.7	Very high	67 Å²	67	45.7 Å²	45.7	69%	0.691	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	14.4	177.1	0	0	0	0	0	114.9	L123 L124 E125	L123-G127 PolarHBondContact O-N 3.05Å; L124-G127 WeakPolarHBondContact O-CA 3.28Å; L124-G127 PolarHBondContact O-N 3.32Å; E125-G127 PolarHBondContact O-N 3.39Å
128	I	93.3	Very high	94.7	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.056	25%	0.246	C	C	.	.			trans	-77.4	129	173.7	-55.1	-177.3	0	0	0	108.8	L123 L124 K132 V133 Y446	L123-I128 HydrophobicContact CB-CB 4.4Å; L123-I128 HydrophobicContact CB-CD1 4.23Å; L123-I128 HydrophobicContact CD2-CD1 4.13Å; L123-I128 WeakPolarHBondContact O-CB 3.49Å; L123-I128 PolarHBondContact O-N 3.49Å; L123-I128 VanDerWaalsContact O-N 3.13Å; L124-I128 VanDerWaalsContact CD2-O 3.26Å; L124-I128 WeakPolarHBondContact CD2-O 3.49Å; I128-K132 HydrophobicContact CG2-CB 4.26Å; I128-V133 HydrophobicContact CB-CG2 4.24Å; I128-V133 HydrophobicContact CG2-CG2 3.71Å; I128-Y446 HydrophobicContact CD1-CD2 3.98Å; I128-Y446 HydrophobicContact CD1-CG 4.09Å
129	H	93.1	Very high	94.7	Very high	113 Å²	113	48.9 Å²	48.9	52%	0.523	25%	0.249	S	C	.	.			trans	-64.1	136.4	-178.2	-167.9	-87.6	0	0	0	112	V131 K132 V133	H129-V131 VanDerWaalsContact C-N 3.29Å; H129-V131 PolarHBondContact ND1-N 2.98Å; H129-V131 PolarHBondContact O-N 3.31Å; H129-V131 VanDerWaalsContact O-N 3.16Å; H129-K132 HydrophobicContact CB-CG 4.37Å; H129-K132 WeakPolarHBondContact O-CB 3.26Å; H129-K132 PolarHBondContact O-N 3.3Å; H129-V133 PolarHBondContact O-N 3.41Å
130	P	93.8	Very high	94.7	Very high	17 Å²	17	46.7 Å²	46.7	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-53.1	-40.3	-176.7	-22.8	26.2	0	0	0	114.7	I34 L124 K132 V133 A134 L527	I34-P130 HydrophobicContact CD1-CB 3.89Å; I34-P130 HydrophobicContact CD1-CG 3.37Å; L124-P130 HydrophobicContact CD2-CB 3.93Å; L124-P130 HydrophobicContact CD2-CG 3.56Å; P130-K132 VanDerWaalsContact C-N 3.32Å; P130-K132 PolarHBondContact O-N 2.94Å; P130-V133 WeakPolarHBondContact O-CB 3.19Å; P130-V133 PolarHBondContact O-N 3.34Å; P130-A134 WeakPolarHBondContact O-CB 3.42Å; P130-A134 PolarHBondContact O-N 3.45Å; P130-L527 WeakPolarHBondContact CB-O 3.31Å
131	V	93.1	Very high	94.8	Very high	58 Å²	58	46.9 Å²	46.9	35%	0.352	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-40.1	176.9	178.2	0	0	0	0	111.8	H129 V133 A134 D135	H129-V131 VanDerWaalsContact C-N 3.29Å; H129-V131 PolarHBondContact ND1-N 2.98Å; H129-V131 PolarHBondContact O-N 3.31Å; H129-V131 VanDerWaalsContact O-N 3.16Å; V131-V133 VanDerWaalsContact C-N 3.35Å; V131-V133 PolarHBondContact O-N 3.1Å; V131-A134 PolarHBondContact O-N 3.27Å; V131-D135 WeakPolarHBondContact O-CB 3.38Å; V131-D135 PolarHBondContact O-N 3.46Å
132	K	94.1	Very high	95	Very high	122 Å²	122	50.7 Å²	50.7	53%	0.53	26%	0.258	S	S	.	.	H	α-helix	trans	-67.6	-37.1	177.8	-68.1	-173.6	177.6	-178.4	0	111.7	I128 H129 P130 G136	I128-K132 HydrophobicContact CG2-CB 4.26Å; H129-K132 HydrophobicContact CB-CG 4.37Å; H129-K132 WeakPolarHBondContact O-CB 3.26Å; H129-K132 PolarHBondContact O-N 3.3Å; P130-K132 VanDerWaalsContact C-N 3.32Å; P130-K132 PolarHBondContact O-N 2.94Å; K132-G136 PolarHBondContact O-N 2.83Å
133	V	95.7	Very high	95.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-48.7	173.6	-179.4	0	0	0	0	110.3	A120 L123 L124 I128 H129 P130 V131 D135 G136 Y137 L527	A120-V133 HydrophobicContact CB-CG1 3.89Å; L123-V133 HydrophobicContact CB-CG2 3.97Å; L123-V133 HydrophobicContact CD1-CG1 3.93Å; L123-V133 HydrophobicContact CD1-CG2 3.98Å; L124-V133 HydrophobicContact CD2-CG2 4.45Å; I128-V133 HydrophobicContact CB-CG2 4.24Å; I128-V133 HydrophobicContact CG2-CG2 3.71Å; H129-V133 PolarHBondContact O-N 3.41Å; P130-V133 WeakPolarHBondContact O-CB 3.19Å; P130-V133 PolarHBondContact O-N 3.34Å; V131-V133 VanDerWaalsContact C-N 3.35Å; V131-V133 PolarHBondContact O-N 3.1Å; V133-D135 PolarHBondContact O-N 2.89Å; V133-G136 PolarHBondContact O-N 3.34Å; V133-Y137 HydrophobicContact CG1-CD1 4.37Å; V133-Y137 HydrophobicContact CG1-CD2 4.32Å; V133-Y137 HydrophobicContact CG1-CE1 4.01Å; V133-Y137 HydrophobicContact CG1-CE2 3.94Å; V133-Y137 PolarHBondContact O-N 3.27Å; V133-L527 HydrophobicContact CG1-CD1 4.06Å
134	A	95.6	Very high	95.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-41.2	179.5	0	0	0	0	0	113	P130 V131 D138 R524	P130-A134 WeakPolarHBondContact O-CB 3.42Å; P130-A134 PolarHBondContact O-N 3.45Å; V131-A134 PolarHBondContact O-N 3.27Å; A134-D138 PolarHBondContact O-N 2.87Å; A134-D138 VanDerWaalsContact O-N 3.13Å; A134-R524 HydrophobicContact CB-CB 4.18Å; A134-R524 HydrophobicContact CB-CG 3.92Å; A134-R524 WeakPolarHBondContact O-CD 3.48Å; A134-R524 WeakPolarHBondContact O-CG 3.19Å; A134-R524 PolarHBondContact O-NE 2.85Å
135	D	95.2	Very high	95.5	Very high	62 Å²	62	51 Å²	51	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-72.5	-36.3	178.2	-65.3	-17.2	0	0	0	111.8	V131 V133 D138 K139 R528	V131-D135 WeakPolarHBondContact O-CB 3.38Å; V131-D135 PolarHBondContact O-N 3.46Å; V133-D135 PolarHBondContact O-N 2.89Å; D135-D138 WeakPolarHBondContact O-CB 3.44Å; D135-D138 PolarHBondContact O-N 3.46Å; D135-K139 PolarHBondContact O-N 3.21Å; D135-R528 IonicContact OD1-NH2 2.68Å
136	G	96.1	Very high	95.8	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-40.8	172.7	0	0	0	0	0	112.5	K132 V133 D138 K139 A140	K132-G136 PolarHBondContact O-N 2.83Å; V133-G136 PolarHBondContact O-N 3.34Å; G136-D138 VanDerWaalsContact C-N 3.34Å; G136-D138 PolarHBondContact O-N 3.3Å; G136-K139 PolarHBondContact O-N 3.39Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 2.95Å
137	Y	97.9	Very high	96	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-38.8	173.6	-75.6	-0.5	0	0	0	112.6	L116 A120 V133 A140 C141 S447 A450 F451 L527	L116-Y137 HydrophobicContact CB-CE2 4.12Å; L116-Y137 HydrophobicContact CD2-CD2 4.15Å; L116-Y137 HydrophobicContact CD2-CE2 4.03Å; L116-Y137 WeakPolarHBondContact O-CE2 3.33Å; L116-Y137 PolarHBondContact O-OH 2.88Å; L116-Y137 VanDerWaalsContact O-OH 3.05Å; A120-Y137 WeakPolarHBondContact CA-OH 3.42Å; A120-Y137 HydrophobicContact CB-CE2 4.05Å; A120-Y137 PolarHBondContact N-OH 3.49Å; V133-Y137 HydrophobicContact CG1-CD1 4.37Å; V133-Y137 HydrophobicContact CG1-CD2 4.32Å; V133-Y137 HydrophobicContact CG1-CE1 4.01Å; V133-Y137 HydrophobicContact CG1-CE2 3.94Å; V133-Y137 PolarHBondContact O-N 3.27Å; Y137-A140 PolarHBondContact O-N 2.94Å; Y137-C141 VanDerWaalsContact O-CB 3.24Å; Y137-C141 WeakPolarHBondContact O-CB 3.35Å; Y137-C141 PolarHBondContact O-N 3.21Å; Y137-S447 WeakPolarHBondContact CD1-O 3.44Å; Y137-S447 VanDerWaalsContact CE1-O 3.28Å; Y137-S447 WeakPolarHBondContact CE1-O 3.21Å; Y137-A450 HydrophobicContact CE1-CB 3.93Å; Y137-F451 HydrophobicContact CD1-CB 3.99Å; Y137-F451 HydrophobicContact CD1-CD2 4.01Å; Y137-F451 HydrophobicContact CE1-CB 4.16Å; Y137-F451 HydrophobicContact CG-CD2 4.07Å; Y137-L527 HydrophobicContact CD2-CD1 4.45Å; Y137-L527 HydrophobicContact CE2-CD1 4.33Å
138	D	97.2	Very high	96.3	Very high	47 Å²	47	37.4 Å²	37.4	25%	0.251	19%	0.192	S	C	.	.	H	α-helix	trans	-60.3	-48	176.9	-163.1	29.7	0	0	0	111.6	A134 D135 G136 C141 Q142 R524	A134-D138 PolarHBondContact O-N 2.87Å; A134-D138 VanDerWaalsContact O-N 3.13Å; D135-D138 WeakPolarHBondContact O-CB 3.44Å; D135-D138 PolarHBondContact O-N 3.46Å; G136-D138 VanDerWaalsContact C-N 3.34Å; G136-D138 PolarHBondContact O-N 3.3Å; D138-C141 PolarHBondContact O-N 3.45Å; D138-Q142 WeakPolarHBondContact O-CG 3.48Å; D138-Q142 PolarHBondContact O-N 2.59Å; D138-R524 IonicContact OD1-CZ 2.69Å; D138-R524 IonicContact OD1-NH1 2.9Å; D138-R524 PolarHBondContact OD1-NH1 2.97Å; D138-R524 IonicContact OD2-CZ 3.17Å; D138-R524 VanDerWaalsContact OD2-CZ 3.25Å; D138-R524 IonicContact OD2-NH1 3.56Å; D138-R524 PolarHBondContact OD2-NH1 3.11Å; D138-R524 VanDerWaalsContact OD2-NH1 3.11Å; D138-R524 IonicContact OD2-NH2 3.33Å; D138-R524 PolarHBondContact OD2-NH2 3.48Å
139	K	97	Very high	96.5	Very high	96 Å²	96	39.4 Å²	39.4	42%	0.417	20%	0.203	S	C	.	.	H	α-helix	trans	-68.3	-40.7	178.8	-68	167.1	170.2	177.2	0	112.5	D135 G136 C141 Q142 L143 E444 F448	D135-K139 PolarHBondContact O-N 3.21Å; G136-K139 PolarHBondContact O-N 3.39Å; K139-C141 VanDerWaalsContact C-N 3.31Å; K139-C141 PolarHBondContact O-N 3.13Å; K139-Q142 PolarHBondContact O-N 2.82Å; K139-L143 PolarHBondContact O-N 3.3Å; K139-E444 WeakPolarHBondContact CD-OE1 3.45Å; K139-E444 WeakPolarHBondContact CE-OE1 3.37Å; K139-E444 VanDerWaalsContact NZ-CD 3.31Å; K139-E444 IonicContact NZ-OE1 3.64Å; K139-E444 PolarHBondContact NZ-OE1 3.48Å; K139-E444 IonicContact NZ-OE2 3.39Å; K139-E444 PolarHBondContact NZ-OE2 2.79Å; K139-E444 VanDerWaalsContact NZ-OE2 3.17Å; K139-F448 HydrophobicContact CB-CE2 3.98Å; K139-F448 HydrophobicContact CB-CZ 3.71Å
140	A	97.6	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-40.4	174.6	0	0	0	0	0	111.5	G136 Y137 L143 A144 V433 F448 F451	G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 2.95Å; Y137-A140 PolarHBondContact O-N 2.94Å; A140-L143 PolarHBondContact O-N 3.02Å; A140-A144 WeakPolarHBondContact O-CB 3.08Å; A140-A144 PolarHBondContact O-N 3.13Å; A140-V433 HydrophobicContact CB-CG1 3.98Å; A140-F448 HydrophobicContact CB-CD1 3.98Å; A140-F448 HydrophobicContact CB-CD2 4.31Å; A140-F448 HydrophobicContact CB-CE1 4.11Å; A140-F448 HydrophobicContact CB-CE2 4.43Å; A140-F448 HydrophobicContact CB-CG 4.08Å; A140-F448 HydrophobicContact CB-CZ 4.34Å; A140-F451 HydrophobicContact CB-CB 3.75Å; A140-F451 HydrophobicContact CB-CD1 3.77Å; A140-F451 HydrophobicContact CB-CD2 4.09Å; A140-F451 HydrophobicContact CB-CE1 4.39Å; A140-F451 HydrophobicContact CB-CG 3.59Å
141	C	98	Very high	96.7	Very high	4 Å²	4	43 Å²	43	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-44.3	174	-175.9	0	0	0	0	111.7	Y137 D138 K139 L143 A144 L145 F451 T520	Y137-C141 VanDerWaalsContact O-CB 3.24Å; Y137-C141 WeakPolarHBondContact O-CB 3.35Å; Y137-C141 PolarHBondContact O-N 3.21Å; D138-C141 PolarHBondContact O-N 3.45Å; K139-C141 VanDerWaalsContact C-N 3.31Å; K139-C141 PolarHBondContact O-N 3.13Å; C141-L143 VanDerWaalsContact C-N 3.3Å; C141-L143 PolarHBondContact O-N 2.91Å; C141-A144 PolarHBondContact O-N 3.05Å; C141-L145 WeakPolarHBondContact O-CB 3.46Å; C141-L145 VanDerWaalsContact O-CG 3.24Å; C141-L145 WeakPolarHBondContact O-CG 3.13Å; C141-L145 PolarHBondContact O-N 3.41Å; C141-F451 HydrophobicContact CB-CE2 3.92Å; C141-F451 HydrophobicContact CB-CZ 3.69Å; C141-T520 HydrophobicContact CB-CG2 3.84Å; C141-T520 PolarHBondContact SG-OG1 3.31Å
142	Q	98.1	Very high	96.8	Very high	114 Å²	114	41.3 Å²	41.3	53%	0.533	20%	0.202	S	C	.	.	H	α-helix	trans	-59	-41.8	176.7	-72	170.5	18.6	0	0	112	D138 K139 L145 A146	D138-Q142 WeakPolarHBondContact O-CG 3.48Å; D138-Q142 PolarHBondContact O-N 2.59Å; K139-Q142 PolarHBondContact O-N 2.82Å; Q142-L145 PolarHBondContact O-N 2.61Å; Q142-A146 WeakPolarHBondContact O-CB 3.34Å; Q142-A146 PolarHBondContact O-N 2.85Å
143	L	97.7	Very high	96.8	Very high	49 Å²	49	38.5 Å²	38.5	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-44.5	174.6	179.6	66.3	0	0	0	111.9	K139 A140 C141 A146 H147 V432 V433 E436 F448	K139-L143 PolarHBondContact O-N 3.3Å; A140-L143 PolarHBondContact O-N 3.02Å; C141-L143 VanDerWaalsContact C-N 3.3Å; C141-L143 PolarHBondContact O-N 2.91Å; L143-A146 PolarHBondContact O-N 3.33Å; L143-H147 WeakPolarHBondContact O-CB 3.49Å; L143-H147 PolarHBondContact O-N 3.19Å; L143-V432 HydrophobicContact CD1-CG1 4.41Å; L143-V432 HydrophobicContact CD2-CG1 4.35Å; L143-V432 HydrophobicContact CG-CG1 4.3Å; L143-V433 HydrophobicContact CD2-CG2 4.29Å; L143-E436 HydrophobicContact CD2-CB 3.5Å; L143-E436 VanDerWaalsContact CD2-CB 3.5Å; L143-E436 HydrophobicContact CD2-CG 3.79Å; L143-F448 HydrophobicContact CD2-CE1 4.27Å
144	A	97.9	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-43.5	176.9	0	0	0	0	0	111.7	A140 C141 A146 H147 L148 C429 V433 F451 F516	A140-A144 WeakPolarHBondContact O-CB 3.08Å; A140-A144 PolarHBondContact O-N 3.13Å; C141-A144 PolarHBondContact O-N 3.05Å; A144-A146 PolarHBondContact O-N 3.5Å; A144-H147 WeakPolarHBondContact O-CB 3.21Å; A144-H147 PolarHBondContact O-N 3.3Å; A144-H147 VanDerWaalsContact O-N 3.17Å; A144-L148 WeakPolarHBondContact O-CG 3.27Å; A144-L148 PolarHBondContact O-N 3.15Å; A144-C429 HydrophobicContact CB-CB 4.06Å; A144-V433 HydrophobicContact CB-CG2 4.17Å; A144-F451 HydrophobicContact CB-CE1 4.17Å; A144-F516 HydrophobicContact CB-CD2 3.95Å; A144-F516 HydrophobicContact CB-CE2 4.05Å
145	L	98.1	Very high	96.4	Very high	25 Å²	25	46.7 Å²	46.7	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-44	176.1	-69.3	174.1	0	0	0	112.1	C141 Q142 H147 L148 D149 R513 F516	C141-L145 WeakPolarHBondContact O-CB 3.46Å; C141-L145 VanDerWaalsContact O-CG 3.24Å; C141-L145 WeakPolarHBondContact O-CG 3.13Å; C141-L145 PolarHBondContact O-N 3.41Å; Q142-L145 PolarHBondContact O-N 2.61Å; L145-H147 VanDerWaalsContact C-N 3.28Å; L145-H147 PolarHBondContact O-N 3.13Å; L145-L148 HydrophobicContact CD2-CD1 4.36Å; L145-L148 WeakPolarHBondContact O-CB 3.45Å; L145-L148 PolarHBondContact O-N 2.7Å; L145-D149 PolarHBondContact O-N 3.5Å; L145-D149 VanDerWaalsContact O-N 3.07Å; L145-R513 HydrophobicContact CD2-CB 3.74Å; L145-R513 HydrophobicContact CD2-CG 3.87Å; L145-R513 WeakPolarHBondContact CD2-O 3.33Å; L145-R513 PolarHBondContact O-NH1 2.68Å; L145-R513 VanDerWaalsContact O-NH1 3.16Å; L145-F516 HydrophobicContact CD2-CB 4.08Å
146	A	98	Very high	95.9	Very high	56 Å²	56	47.4 Å²	47.4	46%	0.463	24%	0.237	S	C	.	.	H	α-helix	trans	-64.4	-34.7	175.3	0	0	0	0	0	112	Q142 L143 A144 D149 R150	Q142-A146 WeakPolarHBondContact O-CB 3.34Å; Q142-A146 PolarHBondContact O-N 2.85Å; L143-A146 PolarHBondContact O-N 3.33Å; A144-A146 PolarHBondContact O-N 3.5Å; A146-D149 PolarHBondContact O-N 3.36Å; A146-R150 PolarHBondContact O-N 2.98Å
147	H	97.4	Very high	95.3	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.046	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-42.5	173.7	-175.1	82.9	0	0	0	112.1	L143 A144 L145 D149 R150 I151 S428 V432	L143-H147 WeakPolarHBondContact O-CB 3.49Å; L143-H147 PolarHBondContact O-N 3.19Å; A144-H147 WeakPolarHBondContact O-CB 3.21Å; A144-H147 PolarHBondContact O-N 3.3Å; A144-H147 VanDerWaalsContact O-N 3.17Å; L145-H147 VanDerWaalsContact C-N 3.28Å; L145-H147 PolarHBondContact O-N 3.13Å; H147-D149 VanDerWaalsContact C-N 3.3Å; H147-D149 PolarHBondContact O-N 2.84Å; H147-R150 PolarHBondContact CE1-NH2 3.36Å; H147-R150 PolarHBondContact ND1-NH2 3.4Å; H147-R150 WeakPolarHBondContact O-CB 3.34Å; H147-R150 PolarHBondContact O-N 3.4Å; H147-I151 WeakPolarHBondContact NE2-CG2 3.48Å; H147-I151 WeakPolarHBondContact O-CG1 2.97Å; H147-I151 PolarHBondContact O-N 3.3Å; H147-S428 PolarHBondContact NE2-OG 3.22Å; H147-V432 WeakPolarHBondContact CE1-CG2 3.31Å; H147-V432 WeakPolarHBondContact ND1-CG2 3.33Å
148	L	97.5	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.1	-44.8	173.8	-71	176.8	0	0	0	111.2	A144 L145 R150 I151 S152 V419 A425 C429 L509 K512 R513 F516	A144-L148 WeakPolarHBondContact O-CG 3.27Å; A144-L148 PolarHBondContact O-N 3.15Å; L145-L148 HydrophobicContact CD2-CD1 4.36Å; L145-L148 WeakPolarHBondContact O-CB 3.45Å; L145-L148 PolarHBondContact O-N 2.7Å; L148-R150 VanDerWaalsContact C-N 3.27Å; L148-R150 PolarHBondContact O-N 3.17Å; L148-I151 HydrophobicContact CD2-CD1 4.34Å; L148-I151 PolarHBondContact O-N 3.32Å; L148-S152 WeakPolarHBondContact O-CB 3.41Å; L148-S152 PolarHBondContact O-N 3.17Å; L148-V419 HydrophobicContact CD2-CG1 4.33Å; L148-A425 HydrophobicContact CD2-CB 3.99Å; L148-C429 VanDerWaalsContact CD2-SG 3.53Å; L148-L509 HydrophobicContact CB-CD1 3.8Å; L148-K512 HydrophobicContact CD1-CB 4.41Å; L148-K512 HydrophobicContact CD1-CG 3.82Å; L148-K512 HydrophobicContact CD2-CG 4.1Å; L148-R513 HydrophobicContact CD1-CG 4.23Å; L148-F516 HydrophobicContact CD1-CD2 3.89Å; L148-F516 HydrophobicContact CD1-CE2 3.84Å; L148-F516 HydrophobicContact CD1-CG 4.49Å; L148-F516 HydrophobicContact CD1-CZ 4.38Å; L148-F516 HydrophobicContact CG-CE2 4.32Å
149	D	96.9	Very high	93.6	Very high	54 Å²	54	54 Å²	54	29%	0.289	28%	0.276	S	S	.	.	H	α-helix	trans	-58.6	-41.1	175.1	-70.7	-43.9	0	0	0	111.5	L145 A146 H147 S152 R417 R513	L145-D149 PolarHBondContact O-N 3.5Å; L145-D149 VanDerWaalsContact O-N 3.07Å; A146-D149 PolarHBondContact O-N 3.36Å; H147-D149 VanDerWaalsContact C-N 3.3Å; H147-D149 PolarHBondContact O-N 2.84Å; D149-S152 PolarHBondContact O-OG 2.88Å; D149-R417 IonicContact OD1-NH1 3.88Å; D149-R417 PolarHBondContact OD1-NH1 3.12Å; D149-R513 IonicContact OD1-CZ 3.25Å; D149-R513 IonicContact OD1-NH1 2.9Å; D149-R513 PolarHBondContact OD1-NH1 2.87Å; D149-R513 IonicContact OD2-CZ 3.6Å; D149-R513 IonicContact OD2-NH1 3.11Å; D149-R513 PolarHBondContact OD2-NH1 2.99Å; D149-R513 IonicContact OD2-NH2 3.59Å
150	R	96.1	Very high	92.7	Very high	182 Å²	182	57.4 Å²	57.4	69%	0.687	29%	0.294	S	S	*	.	H	α-helix	trans	-70	-36.1	-178.5	-169.5	-172	70.4	130.2	7.7	113.6	A146 H147 L148	A146-R150 PolarHBondContact O-N 2.98Å; H147-R150 PolarHBondContact CE1-NH2 3.36Å; H147-R150 PolarHBondContact ND1-NH2 3.4Å; H147-R150 WeakPolarHBondContact O-CB 3.34Å; H147-R150 PolarHBondContact O-N 3.4Å; L148-R150 VanDerWaalsContact C-N 3.27Å; L148-R150 PolarHBondContact O-N 3.17Å
151	I	94.6	Very high	92	Very high	22 Å²	22	59.8 Å²	59.8	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-90.3	-7.1	179.7	67.9	171	0	0	0	113.1	H147 L148 P487	H147-I151 WeakPolarHBondContact NE2-CG2 3.48Å; H147-I151 WeakPolarHBondContact O-CG1 2.97Å; H147-I151 PolarHBondContact O-N 3.3Å; L148-I151 HydrophobicContact CD2-CD1 4.34Å; L148-I151 PolarHBondContact O-N 3.32Å; I151-P487 HydrophobicContact CB-CB 4.24Å; I151-P487 HydrophobicContact CB-CG 4.03Å; I151-P487 HydrophobicContact CD1-CB 4.06Å; I151-P487 HydrophobicContact CG2-CB 4.07Å; I151-P487 HydrophobicContact CG2-CG 4.07Å
152	S	95.6	Very high	91.4	Very high	23 Å²	23	61.4 Å²	61.4	16%	0.161	32%	0.323	C	S	.	.			trans	-66.7	148.8	178.7	69.7	0	0	0	0	111.9	L148 D149 I418	L148-S152 WeakPolarHBondContact O-CB 3.41Å; L148-S152 PolarHBondContact O-N 3.17Å; D149-S152 PolarHBondContact O-OG 2.88Å; S152-I418 WeakPolarHBondContact CA-O 3.23Å; S152-I418 WeakPolarHBondContact CB-O 3.34Å
153	E	94.6	Very high	91.1	Very high	64 Å²	64	59.2 Å²	59.2	30%	0.299	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148	176.1	-63.8	-176.9	-175.4	0	0	109.5	R417 I418 Y420 K501	E153-R417 CarbonylContact O-C 3.3Å; E153-R417 WeakPolarHBondContact O-CA 3.29Å; E153-I418 HydrophobicContact CB-CG1 4.43Å; E153-I418 PolarHBondContact N-O 3.2Å; E153-I418 VanDerWaalsContact O-CG1 3.32Å; E153-I418 WeakPolarHBondContact O-CG1 3.49Å; E153-I418 PolarHBondContact O-N 3.07Å; E153-Y420 HydrophobicContact CG-CE2 4.43Å; E153-Y420 PolarHBondContact OE2-OH 3.37Å; E153-K501 IonicContact OE1-NZ 3.74Å; E153-K501 PolarHBondContact OE1-NZ 3.17Å; E153-K501 WeakPolarHBondContact OE2-CE 3.38Å; E153-K501 IonicContact OE2-NZ 2.88Å; E153-K501 PolarHBondContact OE2-NZ 3.49Å
154	E	93	Very high	90.7	Very high	155 Å²	155	58 Å²	58	72%	0.724	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	127.9	171.8	-69.9	-175.4	-171.8	0	0	110	R417	E154-R417 HydrophobicContact CG-CG 4.41Å
155	H	89.1	Confident	90.3	Very high	17 Å²	17	58 Å²	58	8%	0.079	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-97.4	137.9	174.9	-160.2	59.2	0	0	0	110.1	V157 P164 T168 N416 I418	H155-V157 PolarHBondContact O-N 2.98Å; H155-P164 VanDerWaalsContact NE2-CB 3.32Å; H155-P164 WeakPolarHBondContact NE2-CB 3.5Å; H155-P164 PolarHBondContact NE2-O 3.19Å; H155-T168 PolarHBondContact NE2-OG1 3.04Å; H155-N416 VanDerWaalsContact CB-O 3.3Å; H155-N416 WeakPolarHBondContact CB-O 3.49Å; H155-N416 PolarHBondContact N-O 3.42Å; H155-N416 PolarHBondContact O-ND2 2.67Å; H155-I418 HydrophobicContact CB-CB 4.48Å; H155-I418 HydrophobicContact CB-CD1 4.05Å; H155-I418 HydrophobicContact CB-CG1 4.04Å; H155-I418 HydrophobicContact CB-CG2 3.68Å
156	P	86.3	Confident	90	Very high	77 Å²	77	56.9 Å²	56.9	50%	0.5	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-66.2	126	176.8	25.8	-34.2	0	0	0	111.1	P164	P156-P164 HydrophobicContact CG-CB 3.87Å; P156-P164 HydrophobicContact CG-CG 3.78Å
157	V	83.4	Confident	89.6	Confident	42 Å²	42	55.9 Å²	55.9	26%	0.255	29%	0.288	S	S	.	.			trans	-117.4	96.5	171.8	-177.4	0	0	0	0	107.2	H155 L165 F199 L412 I413 N416	H155-V157 PolarHBondContact O-N 2.98Å; V157-L165 HydrophobicContact CG1-CD1 4.43Å; V157-L165 HydrophobicContact CG1-CD2 4.39Å; V157-L165 HydrophobicContact CG2-CD2 4.19Å; V157-F199 HydrophobicContact CG1-CE1 4.26Å; V157-L412 HydrophobicContact CG2-CB 4.38Å; V157-I413 HydrophobicContact CG1-CG1 4.1Å; V157-N416 HydrophobicContact CG2-CB 3.7Å
158	D	81.3	Confident	89.3	Confident	77 Å²	77	55.4 Å²	55.4	41%	0.412	29%	0.286	S	S	.	.			trans	-127.5	137.3	179.1	-169.9	-11.3	0	0	0	110.2	Q160 A161	D158-Q160 VanDerWaalsContact C-N 3.26Å; D158-Q160 PolarHBondContact O-N 3.07Å; D158-Q160 PolarHBondContact OD1-N 3.16Å; D158-A161 HydrophobicContact CB-CB 4.14Å; D158-A161 CarbonylContact O-C 3.56Å
159	V	77.6	Confident	88.9	Confident	67 Å²	67	55.4 Å²	55.4	41%	0.406	29%	0.286	S	S	.	.	S	Bend	trans	-66.3	-31.3	174.3	-175.8	0	0	0	0	111.1	F199	V159-F199 HydrophobicContact CG2-CD2 4.32Å; V159-F199 HydrophobicContact CG2-CE1 4.24Å; V159-F199 HydrophobicContact CG2-CE2 3.37Å; V159-F199 HydrophobicContact CG2-CZ 3.32Å
160	Q	77.1	Confident	88.6	Confident	168 Å²	168	55.7 Å²	55.7	79%	0.785	29%	0.286	S	S	*	.	S	Bend	trans	-87.1	-26.4	-178.3	-57.9	-58.2	-32.9	0	0	112.9	D158	D158-Q160 VanDerWaalsContact C-N 3.26Å; D158-Q160 PolarHBondContact O-N 3.07Å; D158-Q160 PolarHBondContact OD1-N 3.16Å
161	A	83	Confident	88.2	Confident	49 Å²	49	49.2 Å²	49.2	41%	0.405	27%	0.267	S	S	.	.			trans	-118.2	81.1	179.4	0	0	0	0	0	109.8	D158 P164	D158-A161 HydrophobicContact CB-CB 4.14Å; D158-A161 CarbonylContact O-C 3.56Å; A161-P164 VanDerWaalsContact O-CD 3.3Å; A161-P164 WeakPolarHBondContact O-CD 3.44Å
162	T	87.1	Confident	87.8	Confident	39 Å²	39	48.5 Å²	48.5	24%	0.239	26%	0.264	C	S	.	.			trans	-80.6	-15	-173.6	60.1	0	0	0	0	114.2	P164 L165 V166 V190 L194	T162-P164 VanDerWaalsContact C-CD 3.48Å; T162-L165 WeakPolarHBondContact O-CB 3.42Å; T162-L165 PolarHBondContact O-N 3.07Å; T162-V166 WeakPolarHBondContact O-CG2 3.45Å; T162-V166 PolarHBondContact O-N 3.5Å; T162-V190 HydrophobicContact CG2-CG1 4.34Å; T162-L194 HydrophobicContact CG2-CD1 3.4Å; T162-L194 VanDerWaalsContact CG2-CD1 3.4Å
163	E	90.9	Very high	87.4	Confident	68 Å²	68	47.4 Å²	47.4	32%	0.318	26%	0.256	S	S	.	.	H	α-helix	trans	-53.8	-44.9	-174.7	-167.9	68	-169	0	0	113.6	L165 V166 E167 R183	E163-L165 VanDerWaalsContact C-N 3.25Å; E163-L165 PolarHBondContact O-N 3.42Å; E163-V166 WeakPolarHBondContact O-CB 3.45Å; E163-V166 PolarHBondContact O-N 3.27Å; E163-V166 VanDerWaalsContact O-N 3.08Å; E163-E167 HydrophobicContact CG-CG 4.44Å; E163-E167 WeakPolarHBondContact O-CG 3.32Å; E163-E167 PolarHBondContact O-N 3.44Å; E163-R183 VanDerWaalsContact CD-NH2 3.27Å; E163-R183 IonicContact OE1-CZ 3.89Å; E163-R183 VanDerWaalsContact OE1-CZ 3.3Å; E163-R183 IonicContact OE1-NH1 3.25Å; E163-R183 PolarHBondContact OE1-NH1 3.03Å; E163-R183 IonicContact OE1-NH2 2.67Å; E163-R183 PolarHBondContact OE1-NH2 3.29Å; E163-R183 IonicContact OE2-CZ 2.72Å; E163-R183 IonicContact OE2-NH2 2.99Å; E163-R183 PolarHBondContact OE2-NH2 3.14Å
164	P	88.9	Confident	86.6	Confident	24 Å²	24	46.3 Å²	46.3	16%	0.156	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-32	178.6	-22.3	35.2	0	0	0	113.5	H155 P156 A161 T162 T168	H155-P164 VanDerWaalsContact NE2-CB 3.32Å; H155-P164 WeakPolarHBondContact NE2-CB 3.5Å; H155-P164 PolarHBondContact NE2-O 3.19Å; P156-P164 HydrophobicContact CG-CB 3.87Å; P156-P164 HydrophobicContact CG-CG 3.78Å; A161-P164 VanDerWaalsContact O-CD 3.3Å; A161-P164 WeakPolarHBondContact O-CD 3.44Å; T162-P164 VanDerWaalsContact C-CD 3.48Å; P164-T168 PolarHBondContact O-N 2.96Å; P164-T168 PolarHBondContact O-OG1 3.35Å
165	L	90.7	Very high	85.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.6	-39	175.2	-61.1	177.4	0	0	0	111	V157 T162 E163 E167 T168 A169 V190 L194 L412	V157-L165 HydrophobicContact CG1-CD1 4.43Å; V157-L165 HydrophobicContact CG1-CD2 4.39Å; V157-L165 HydrophobicContact CG2-CD2 4.19Å; T162-L165 WeakPolarHBondContact O-CB 3.42Å; T162-L165 PolarHBondContact O-N 3.07Å; E163-L165 VanDerWaalsContact C-N 3.25Å; E163-L165 PolarHBondContact O-N 3.42Å; L165-E167 VanDerWaalsContact C-N 3.35Å; L165-T168 PolarHBondContact O-N 3.04Å; L165-A169 WeakPolarHBondContact O-CB 3.47Å; L165-A169 PolarHBondContact O-N 3.11Å; L165-V190 HydrophobicContact CB-CG1 3.81Å; L165-V190 HydrophobicContact CB-CG2 3.8Å; L165-V190 HydrophobicContact CD1-CG1 4.07Å; L165-L194 HydrophobicContact CD1-CD1 4.16Å; L165-L194 HydrophobicContact CD1-CD2 3.92Å; L165-L194 HydrophobicContact CD1-CG 4.3Å; L165-L412 HydrophobicContact CD2-CB 4.24Å; L165-L412 HydrophobicContact CD2-CD1 3.6Å
166	V	91.9	Very high	84.8	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-46	176.1	173.9	0	0	0	0	109.8	T162 E163 T168 A169 M170 A186 E187 V190	T162-V166 WeakPolarHBondContact O-CG2 3.45Å; T162-V166 PolarHBondContact O-N 3.5Å; E163-V166 WeakPolarHBondContact O-CB 3.45Å; E163-V166 PolarHBondContact O-N 3.27Å; E163-V166 VanDerWaalsContact O-N 3.08Å; V166-T168 VanDerWaalsContact C-N 3.3Å; V166-T168 PolarHBondContact O-N 3.17Å; V166-A169 PolarHBondContact O-N 2.88Å; V166-M170 HydrophobicContact CG1-CG 4.3Å; V166-M170 HydrophobicContact CG1-SD 4.1Å; V166-M170 WeakPolarHBondContact O-CB 3.41Å; V166-M170 VanDerWaalsContact O-CG 3.23Å; V166-M170 WeakPolarHBondContact O-CG 3.44Å; V166-M170 PolarHBondContact O-N 3.37Å; V166-A186 HydrophobicContact CG1-CB 3.96Å; V166-E187 HydrophobicContact CG1-CG 3.93Å; V166-E187 HydrophobicContact CG2-CG 3.97Å; V166-V190 HydrophobicContact CG2-CB 4.14Å; V166-V190 HydrophobicContact CG2-CG1 4.3Å; V166-V190 HydrophobicContact CG2-CG2 3.93Å
167	E	89.5	Confident	83.8	Confident	34 Å²	34	39.9 Å²	39.9	16%	0.159	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-43.1	176.4	-70.6	170.5	175	0	0	111.8	E163 L165 M170 V171 K504	E163-E167 HydrophobicContact CG-CG 4.44Å; E163-E167 WeakPolarHBondContact O-CG 3.32Å; E163-E167 PolarHBondContact O-N 3.44Å; L165-E167 VanDerWaalsContact C-N 3.35Å; E167-M170 WeakPolarHBondContact O-CB 3.42Å; E167-M170 PolarHBondContact O-N 3.16Å; E167-V171 PolarHBondContact O-N 3.37Å; E167-K504 HydrophobicContact CG-CD 4.3Å; E167-K504 IonicContact OE1-NZ 3.88Å; E167-K504 PolarHBondContact OE1-NZ 3.01Å; E167-K504 WeakPolarHBondContact OE2-CD 3.3Å; E167-K504 IonicContact OE2-NZ 2.75Å
168	T	89.3	Confident	82.6	Confident	1 Å²	1	38 Å²	38	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-40.5	178.4	-46.5	0	0	0	0	111.9	H155 P164 L165 V166 M170 V171 V408 L412 I506	H155-T168 PolarHBondContact NE2-OG1 3.04Å; P164-T168 PolarHBondContact O-N 2.96Å; P164-T168 PolarHBondContact O-OG1 3.35Å; L165-T168 PolarHBondContact O-N 3.04Å; V166-T168 VanDerWaalsContact C-N 3.3Å; V166-T168 PolarHBondContact O-N 3.17Å; T168-M170 VanDerWaalsContact C-N 3.29Å; T168-M170 PolarHBondContact O-N 3.41Å; T168-V171 PolarHBondContact O-N 3.46Å; T168-V408 HydrophobicContact CG2-CG1 3.72Å; T168-L412 HydrophobicContact CG2-CD1 3.88Å; T168-I506 HydrophobicContact CG2-CB 4.15Å; T168-I506 HydrophobicContact CG2-CG2 3.82Å
169	A	90.1	Very high	81.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-34.3	174.9	0	0	0	0	0	112.2	L165 V166 V171 S172 L173 A186 V190 A405 V409	L165-A169 WeakPolarHBondContact O-CB 3.47Å; L165-A169 PolarHBondContact O-N 3.11Å; V166-A169 PolarHBondContact O-N 2.88Å; A169-V171 VanDerWaalsContact C-N 3.29Å; A169-V171 PolarHBondContact O-N 3.18Å; A169-S172 PolarHBondContact O-N 3.4Å; A169-L173 WeakPolarHBondContact O-CG 3.44Å; A169-L173 PolarHBondContact O-N 3.45Å; A169-A186 HydrophobicContact CB-CB 3.9Å; A169-V190 HydrophobicContact CB-CG2 4.24Å; A169-A405 HydrophobicContact CB-CB 4.37Å; A169-V409 HydrophobicContact CB-CG2 4.1Å
170	M	90.1	Very high	81.5	Confident	59 Å²	59	46 Å²	46	29%	0.291	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-34.9	175.9	-74.8	178	61.3	0	0	112.3	V166 E167 T168 L173 G174 V182 R183 A186	V166-M170 HydrophobicContact CG1-CG 4.3Å; V166-M170 HydrophobicContact CG1-SD 4.1Å; V166-M170 WeakPolarHBondContact O-CB 3.41Å; V166-M170 VanDerWaalsContact O-CG 3.23Å; V166-M170 WeakPolarHBondContact O-CG 3.44Å; V166-M170 PolarHBondContact O-N 3.37Å; E167-M170 WeakPolarHBondContact O-CB 3.42Å; E167-M170 PolarHBondContact O-N 3.16Å; T168-M170 VanDerWaalsContact C-N 3.29Å; T168-M170 PolarHBondContact O-N 3.41Å; M170-L173 PolarHBondContact O-N 2.86Å; M170-G174 WeakPolarHBondContact O-CA 3.34Å; M170-G174 PolarHBondContact O-N 3.49Å; M170-V182 HydrophobicContact CB-CG1 3.81Å; M170-V182 HydrophobicContact CE-CG1 4.45Å; M170-V182 HydrophobicContact CG-CG1 3.83Å; M170-V182 WeakPolarHBondContact O-CG1 3.46Å; M170-R183 HydrophobicContact CE-CB 4.48Å; M170-R183 HydrophobicContact SD-CB 4.28Å; M170-R183 HydrophobicContact SD-CG 4.26Å; M170-A186 HydrophobicContact CG-CB 3.63Å
171	V	88.6	Confident	81.6	Confident	47 Å²	47	38.6 Å²	38.6	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-45.7	177.5	176.4	0	0	0	0	111.2	E167 T168 A169 L173 G174 K504 V505	E167-V171 PolarHBondContact O-N 3.37Å; T168-V171 PolarHBondContact O-N 3.46Å; A169-V171 VanDerWaalsContact C-N 3.29Å; A169-V171 PolarHBondContact O-N 3.18Å; V171-L173 VanDerWaalsContact C-N 3.28Å; V171-L173 PolarHBondContact O-N 3.13Å; V171-G174 PolarHBondContact O-N 3.01Å; V171-K504 WeakPolarHBondContact CG2-O 3.4Å; V171-V505 HydrophobicContact CG1-CG1 4.16Å
172	S	85.9	Confident	81.6	Confident	7 Å²	7	37 Å²	37	5%	0.049	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-33.3	177.5	-175.6	0	0	0	0	112.8	A169 K176	A169-S172 PolarHBondContact O-N 3.4Å; S172-K176 VanDerWaalsContact O-CE 3.24Å; S172-K176 WeakPolarHBondContact O-CE 3.28Å; S172-K176 PolarHBondContact O-NZ 3.01Å
173	L	86.4	Confident	81.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-83.1	-26.3	179.1	-69.2	173.4	0	0	0	113.7	A169 M170 V171 S175 K176 V182 L185 A186 C401 A405	A169-L173 WeakPolarHBondContact O-CG 3.44Å; A169-L173 PolarHBondContact O-N 3.45Å; M170-L173 PolarHBondContact O-N 2.86Å; V171-L173 VanDerWaalsContact C-N 3.28Å; V171-L173 PolarHBondContact O-N 3.13Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 2.6Å; L173-K176 PolarHBondContact O-N 3.08Å; L173-V182 HydrophobicContact CB-CG1 3.66Å; L173-V182 HydrophobicContact CD1-CG1 4.41Å; L173-L185 HydrophobicContact CD1-CB 3.9Å; L173-A186 HydrophobicContact CD1-CB 3.96Å; L173-C401 VanDerWaalsContact CD2-C 3.49Å; L173-C401 HydrophobicContact CD2-CB 3.57Å; L173-C401 WeakPolarHBondContact CD2-O 3.2Å; L173-A405 HydrophobicContact CD1-CB 4.11Å; L173-A405 HydrophobicContact CD2-CB 4.05Å; L173-A405 HydrophobicContact CG-CB 3.95Å
174	G	79	Confident	81.7	Confident	40 Å²	40	39.5 Å²	39.5	41%	0.412	21%	0.206	S	C	.	.	H	α-helix	trans	-68.7	-23.3	-167.6	0	0	0	0	0	115.1	M170 V171 K176	M170-G174 WeakPolarHBondContact O-CA 3.34Å; M170-G174 PolarHBondContact O-N 3.49Å; V171-G174 PolarHBondContact O-N 3.01Å; G174-K176 VanDerWaalsContact C-N 3.34Å
175	S	69.9	Low	81.8	Confident	35 Å²	35	38.3 Å²	38.3	25%	0.245	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	6.1	178.1	59.6	0	0	0	0	114.1	N72 L173	N72-S175 PolarHBondContact ND2-O 3.49Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 2.6Å
176	K	74.5	Confident	81.9	Confident	20 Å²	20	38.3 Å²	38.3	9%	0.087	20%	0.199	C	C	.	.	S	Bend	trans	-118.9	169.7	-172.6	-55.9	175.6	-173.8	164.9	0	111	S172 L173 G174 A178 S179 C401 D404	S172-K176 VanDerWaalsContact O-CE 3.24Å; S172-K176 WeakPolarHBondContact O-CE 3.28Å; S172-K176 PolarHBondContact O-NZ 3.01Å; L173-K176 PolarHBondContact O-N 3.08Å; G174-K176 VanDerWaalsContact C-N 3.34Å; K176-A178 PolarHBondContact O-N 3.33Å; K176-S179 PolarHBondContact O-N 3.35Å; K176-C401 WeakPolarHBondContact CB-SG 3.39Å; K176-C401 HydrophobicContact CD-CB 4.06Å; K176-C401 WeakPolarHBondContact CD-SG 3.34Å; K176-D404 IonicContact NZ-OD2 2.78Å; K176-D404 PolarHBondContact NZ-OD2 2.77Å
177	I	64	Low	82	Confident	59 Å²	59	41.4 Å²	41.4	30%	0.303	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-51.9	-24.2	-175.6	-63.2	-176.7	0	0	0	113.4	I70 S179 E397	I70-I177 HydrophobicContact CG2-CD1 4.02Å; I177-S179 PolarHBondContact O-N 3.22Å; I177-E397 HydrophobicContact CB-CG 4.32Å; I177-E397 HydrophobicContact CD1-CG 4.03Å; I177-E397 HydrophobicContact CG1-CG 4.31Å
178	A	59.5	Low	82.2	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.033	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-72.8	13	-178.8	0	0	0	0	0	115.8	K176 R180 C181 V182 L185	K176-A178 PolarHBondContact O-N 3.33Å; A178-R180 PolarHBondContact O-N 3.36Å; A178-C181 CarbonylContact O-C 3.57Å; A178-C181 PolarHBondContact O-N 3.09Å; A178-V182 WeakPolarHBondContact O-CG2 3.28Å; A178-V182 PolarHBondContact O-N 3.39Å; A178-V182 VanDerWaalsContact O-N 3.11Å; A178-L185 HydrophobicContact CB-CD1 3.77Å
179	S	64.2	Low	82.4	Confident	83 Å²	83	40.2 Å²	40.2	58%	0.58	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-50.8	-27.1	-174.8	65.5	0	0	0	0	115.6	K176 I177 V182	K176-S179 PolarHBondContact O-N 3.35Å; I177-S179 PolarHBondContact O-N 3.22Å; S179-V182 WeakPolarHBondContact O-CG2 3.44Å
180	R	70.7	Confident	82.6	Confident	229 Å²	229	40.2 Å²	40.2	86%	0.864	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-77.5	-29.2	176.5	-68.6	-173.2	177.8	-176.7	-0.2	114.6	A178	A178-R180 PolarHBondContact O-N 3.36Å
181	C	78.9	Confident	82.7	Confident	12 Å²	12	40.8 Å²	40.8	8%	0.081	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	20.2	-172.1	-53.8	0	0	0	0	112.5	A178 R183 N184 L185 L219 E220	A178-C181 CarbonylContact O-C 3.57Å; A178-C181 PolarHBondContact O-N 3.09Å; C181-R183 VanDerWaalsContact C-N 3.29Å; C181-R183 PolarHBondContact O-N 3.49Å; C181-N184 PolarHBondContact O-N 3.26Å; C181-L185 PolarHBondContact O-N 3.06Å; C181-L185 VanDerWaalsContact O-N 3.14Å; C181-L219 HydrophobicContact CB-CB 4.15Å; C181-E220 WeakPolarHBondContact SG-CG 3.38Å
182	V	84.4	Confident	83	Confident	15 Å²	15	38.5 Å²	38.5	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-51.1	-48.1	-175.3	-178.5	0	0	0	0	111.3	M170 L173 A178 S179 L185 A186	M170-V182 HydrophobicContact CB-CG1 3.81Å; M170-V182 HydrophobicContact CE-CG1 4.45Å; M170-V182 HydrophobicContact CG-CG1 3.83Å; M170-V182 WeakPolarHBondContact O-CG1 3.46Å; L173-V182 HydrophobicContact CB-CG1 3.66Å; L173-V182 HydrophobicContact CD1-CG1 4.41Å; A178-V182 WeakPolarHBondContact O-CG2 3.28Å; A178-V182 PolarHBondContact O-N 3.39Å; A178-V182 VanDerWaalsContact O-N 3.11Å; S179-V182 WeakPolarHBondContact O-CG2 3.44Å; V182-L185 PolarHBondContact O-N 2.77Å; V182-A186 VanDerWaalsContact O-CB 3.25Å; V182-A186 WeakPolarHBondContact O-CB 3.38Å; V182-A186 PolarHBondContact O-N 2.97Å
183	R	89.8	Confident	83.3	Confident	108 Å²	108	38.2 Å²	38.2	41%	0.408	20%	0.196	S	C	.	.	H	α-helix	trans	-64.4	-45.4	-176.2	-173.3	170.8	-178.8	108.9	5	112.5	E163 M170 C181 L185 A186 E187	E163-R183 VanDerWaalsContact CD-NH2 3.27Å; E163-R183 IonicContact OE1-CZ 3.89Å; E163-R183 VanDerWaalsContact OE1-CZ 3.3Å; E163-R183 IonicContact OE1-NH1 3.25Å; E163-R183 PolarHBondContact OE1-NH1 3.03Å; E163-R183 IonicContact OE1-NH2 2.67Å; E163-R183 PolarHBondContact OE1-NH2 3.29Å; E163-R183 IonicContact OE2-CZ 2.72Å; E163-R183 IonicContact OE2-NH2 2.99Å; E163-R183 PolarHBondContact OE2-NH2 3.14Å; M170-R183 HydrophobicContact CE-CB 4.48Å; M170-R183 HydrophobicContact SD-CB 4.28Å; M170-R183 HydrophobicContact SD-CG 4.26Å; C181-R183 VanDerWaalsContact C-N 3.29Å; C181-R183 PolarHBondContact O-N 3.49Å; R183-L185 PolarHBondContact O-N 3.38Å; R183-A186 PolarHBondContact O-N 3.15Å; R183-E187 HydrophobicContact CG-CG 4.42Å; R183-E187 WeakPolarHBondContact CG-OE1 3.32Å; R183-E187 IonicContact CZ-OE1 3.5Å; R183-E187 IonicContact NE-OE1 3.33Å; R183-E187 PolarHBondContact NE-OE1 3.31Å; R183-E187 IonicContact NH2-OE1 2.86Å; R183-E187 WeakPolarHBondContact O-CB 3.44Å; R183-E187 WeakPolarHBondContact O-CG 3.42Å; R183-E187 PolarHBondContact O-N 3.12Å
184	N	90.6	Very high	83.6	Confident	51 Å²	51	39.1 Å²	39.1	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-46	178.4	-174.6	31.9	0	0	0	111.2	C181 A186 E187 I188 E220	C181-N184 PolarHBondContact O-N 3.26Å; N184-A186 PolarHBondContact O-N 3.42Å; N184-E187 PolarHBondContact O-N 3.01Å; N184-I188 WeakPolarHBondContact O-CB 3.36Å; N184-I188 WeakPolarHBondContact O-CD1 3.42Å; N184-I188 VanDerWaalsContact O-CG1 3.25Å; N184-I188 WeakPolarHBondContact O-CG1 3.4Å; N184-I188 PolarHBondContact O-N 3.39Å; N184-E220 PolarHBondContact ND2-O 3.47Å
185	L	91	Very high	84.1	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-37.7	177.5	-67.9	176.8	0	0	0	112.5	L173 A178 C181 V182 R183 I188 A189	L173-L185 HydrophobicContact CD1-CB 3.9Å; A178-L185 HydrophobicContact CB-CD1 3.77Å; C181-L185 PolarHBondContact O-N 3.06Å; C181-L185 VanDerWaalsContact O-N 3.14Å; V182-L185 PolarHBondContact O-N 2.77Å; R183-L185 PolarHBondContact O-N 3.38Å; L185-I188 PolarHBondContact O-N 2.84Å; L185-A189 WeakPolarHBondContact O-CB 3.31Å; L185-A189 PolarHBondContact O-N 3.24Å
186	A	91.8	Very high	85.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-46.8	174.7	0	0	0	0	0	111.5	V166 A169 M170 L173 V182 R183 N184 I188 A189 V190	V166-A186 HydrophobicContact CG1-CB 3.96Å; A169-A186 HydrophobicContact CB-CB 3.9Å; M170-A186 HydrophobicContact CG-CB 3.63Å; L173-A186 HydrophobicContact CD1-CB 3.96Å; V182-A186 VanDerWaalsContact O-CB 3.25Å; V182-A186 WeakPolarHBondContact O-CB 3.38Å; V182-A186 PolarHBondContact O-N 2.97Å; R183-A186 PolarHBondContact O-N 3.15Å; N184-A186 PolarHBondContact O-N 3.42Å; A186-I188 VanDerWaalsContact C-N 3.34Å; A186-I188 PolarHBondContact O-N 3.3Å; A186-A189 PolarHBondContact O-N 2.96Å; A186-V190 WeakPolarHBondContact O-CB 3.42Å; A186-V190 VanDerWaalsContact O-CG2 3.29Å; A186-V190 WeakPolarHBondContact O-CG2 3.31Å; A186-V190 PolarHBondContact O-N 3.37Å
187	E	93.6	Very high	85.7	Confident	66 Å²	66	37.3 Å²	37.3	31%	0.308	19%	0.185	S	C	.	.	H	α-helix	trans	-61.5	-41.5	176.2	-73.5	175.4	-169.5	0	0	111.5	V166 R183 N184 N191	V166-E187 HydrophobicContact CG1-CG 3.93Å; V166-E187 HydrophobicContact CG2-CG 3.97Å; R183-E187 HydrophobicContact CG-CG 4.42Å; R183-E187 WeakPolarHBondContact CG-OE1 3.32Å; R183-E187 IonicContact CZ-OE1 3.5Å; R183-E187 IonicContact NE-OE1 3.33Å; R183-E187 PolarHBondContact NE-OE1 3.31Å; R183-E187 IonicContact NH2-OE1 2.86Å; R183-E187 WeakPolarHBondContact O-CB 3.44Å; R183-E187 WeakPolarHBondContact O-CG 3.42Å; R183-E187 PolarHBondContact O-N 3.12Å; N184-E187 PolarHBondContact O-N 3.01Å; E187-N191 VanDerWaalsContact O-CB 3.24Å; E187-N191 WeakPolarHBondContact O-CB 3.3Å; E187-N191 PolarHBondContact O-N 3.41Å; E187-N191 PolarHBondContact O-ND2 3.12Å
188	I	94.1	Very high	86.8	Confident	9 Å²	9	36.8 Å²	36.8	5%	0.046	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-47.5	174.8	-72.1	165.2	0	0	0	111	N184 L185 A186 N191 A192 S222 L224 I385 L402	N184-I188 WeakPolarHBondContact O-CB 3.36Å; N184-I188 WeakPolarHBondContact O-CD1 3.42Å; N184-I188 VanDerWaalsContact O-CG1 3.25Å; N184-I188 WeakPolarHBondContact O-CG1 3.4Å; N184-I188 PolarHBondContact O-N 3.39Å; L185-I188 PolarHBondContact O-N 2.84Å; A186-I188 VanDerWaalsContact C-N 3.34Å; A186-I188 PolarHBondContact O-N 3.3Å; I188-N191 PolarHBondContact O-N 2.89Å; I188-A192 VanDerWaalsContact O-CB 3.28Å; I188-A192 WeakPolarHBondContact O-CB 3.32Å; I188-A192 PolarHBondContact O-N 3.21Å; I188-S222 WeakPolarHBondContact CD1-O 3.48Å; I188-L224 HydrophobicContact CG2-CB 4.32Å; I188-I385 HydrophobicContact CG2-CB 4.36Å; I188-I385 HydrophobicContact CG2-CD1 4.13Å; I188-I385 HydrophobicContact CG2-CG1 4.01Å; I188-I385 HydrophobicContact CG2-CG2 3.47Å; I188-I385 VanDerWaalsContact CG2-CG2 3.47Å; I188-L402 HydrophobicContact CG2-CD1 4.38Å
189	A	93.2	Very high	88	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-48.6	179.6	0	0	0	0	0	111.6	L185 A186 A192 V193 L402 A405 L406	L185-A189 WeakPolarHBondContact O-CB 3.31Å; L185-A189 PolarHBondContact O-N 3.24Å; A186-A189 PolarHBondContact O-N 2.96Å; A189-A192 PolarHBondContact O-N 2.86Å; A189-V193 WeakPolarHBondContact O-CG2 3.36Å; A189-V193 PolarHBondContact O-N 3.3Å; A189-L402 HydrophobicContact CB-CD1 3.89Å; A189-A405 HydrophobicContact CB-CB 3.96Å; A189-L406 HydrophobicContact CB-CD2 3.93Å; A189-L406 HydrophobicContact CB-CG 4.37Å; A189-L406 WeakPolarHBondContact O-CD2 3.3Å
190	V	94.2	Very high	88.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-48.5	179.3	171.8	0	0	0	0	111.1	T162 L165 V166 A169 A186 A192 V193 L194 V409	T162-V190 HydrophobicContact CG2-CG1 4.34Å; L165-V190 HydrophobicContact CB-CG1 3.81Å; L165-V190 HydrophobicContact CB-CG2 3.8Å; L165-V190 HydrophobicContact CD1-CG1 4.07Å; V166-V190 HydrophobicContact CG2-CB 4.14Å; V166-V190 HydrophobicContact CG2-CG1 4.3Å; V166-V190 HydrophobicContact CG2-CG2 3.93Å; A169-V190 HydrophobicContact CB-CG2 4.24Å; A186-V190 WeakPolarHBondContact O-CB 3.42Å; A186-V190 VanDerWaalsContact O-CG2 3.29Å; A186-V190 WeakPolarHBondContact O-CG2 3.31Å; A186-V190 PolarHBondContact O-N 3.37Å; V190-A192 VanDerWaalsContact C-N 3.3Å; V190-A192 PolarHBondContact O-N 3.01Å; V190-V193 PolarHBondContact O-N 3.17Å; V190-L194 HydrophobicContact CG1-CD1 3.62Å; V190-L194 HydrophobicContact CG1-CG 4.18Å; V190-L194 WeakPolarHBondContact O-CB 3.27Å; V190-L194 VanDerWaalsContact O-CG 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.33Å; V190-L194 PolarHBondContact O-N 2.86Å; V190-V409 HydrophobicContact CG2-CG2 3.74Å
191	N	93.3	Very high	89.7	Confident	71 Å²	71	39 Å²	39	38%	0.38	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-36.5	179.1	-75.4	-46	0	0	0	112.4	E187 I188 S195 L224	E187-N191 VanDerWaalsContact O-CB 3.24Å; E187-N191 WeakPolarHBondContact O-CB 3.3Å; E187-N191 PolarHBondContact O-N 3.41Å; E187-N191 PolarHBondContact O-ND2 3.12Å; I188-N191 PolarHBondContact O-N 2.89Å; N191-S195 WeakPolarHBondContact O-CB 3.43Å; N191-S195 PolarHBondContact O-N 3.44Å; N191-S195 VanDerWaalsContact O-N 3.12Å; N191-S195 PolarHBondContact O-OG 2.84Å; N191-L224 HydrophobicContact CB-CD2 3.53Å
192	A	93.4	Very high	90	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-51.4	175.6	0	0	0	0	0	110.9	I188 A189 V190 S195 V196 I209 L224 V383 I385 L406	I188-A192 VanDerWaalsContact O-CB 3.28Å; I188-A192 WeakPolarHBondContact O-CB 3.32Å; I188-A192 PolarHBondContact O-N 3.21Å; A189-A192 PolarHBondContact O-N 2.86Å; V190-A192 VanDerWaalsContact C-N 3.3Å; V190-A192 PolarHBondContact O-N 3.01Å; A192-S195 WeakPolarHBondContact O-CB 3.37Å; A192-S195 PolarHBondContact O-N 3.39Å; A192-V196 WeakPolarHBondContact O-CG2 3.36Å; A192-V196 PolarHBondContact O-N 3.36Å; A192-I209 HydrophobicContact CB-CD1 4.25Å; A192-I209 HydrophobicContact CB-CG2 4.29Å; A192-L224 HydrophobicContact CB-CD1 3.79Å; A192-L224 HydrophobicContact CB-CD2 4.44Å; A192-V383 HydrophobicContact CB-CG2 4.19Å; A192-I385 HydrophobicContact CB-CD1 3.65Å; A192-I385 HydrophobicContact CB-CG1 4.1Å; A192-L406 HydrophobicContact CB-CD2 4.09Å
193	V	93.3	Very high	90.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-46.7	-179.4	172.5	0	0	0	0	111.2	A189 V190 S195 V196 A197 V204 I209 L406 V409 I413	A189-V193 WeakPolarHBondContact O-CG2 3.36Å; A189-V193 PolarHBondContact O-N 3.3Å; V190-V193 PolarHBondContact O-N 3.17Å; V193-S195 PolarHBondContact O-N 3.46Å; V193-V196 PolarHBondContact O-N 2.99Å; V193-V196 VanDerWaalsContact O-N 3.08Å; V193-A197 WeakPolarHBondContact O-CB 3.41Å; V193-A197 PolarHBondContact O-N 3.33Å; V193-V204 HydrophobicContact CG1-CB 4.47Å; V193-V204 HydrophobicContact CG1-CG1 3.92Å; V193-V204 HydrophobicContact CG1-CG2 3.75Å; V193-I209 HydrophobicContact CG2-CD1 4.15Å; V193-L406 HydrophobicContact CG2-CB 4.22Å; V193-L406 HydrophobicContact CG2-CD2 3.53Å; V193-L406 HydrophobicContact CG2-CG 4.49Å; V193-V409 HydrophobicContact CB-CB 4.31Å; V193-V409 HydrophobicContact CB-CG1 3.8Å; V193-V409 HydrophobicContact CG1-CB 4.27Å; V193-V409 HydrophobicContact CG1-CG1 3.63Å; V193-V409 HydrophobicContact CG2-CB 4.2Å; V193-V409 HydrophobicContact CG2-CG1 4.25Å; V193-I413 HydrophobicContact CG1-CD1 3.37Å
194	L	91.9	Very high	90.1	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-29.2	178.8	-69.4	175.5	0	0	0	113.2	T162 L165 V190 V196 F199	T162-L194 HydrophobicContact CG2-CD1 3.4Å; T162-L194 VanDerWaalsContact CG2-CD1 3.4Å; L165-L194 HydrophobicContact CD1-CD1 4.16Å; L165-L194 HydrophobicContact CD1-CD2 3.92Å; L165-L194 HydrophobicContact CD1-CG 4.3Å; V190-L194 HydrophobicContact CG1-CD1 3.62Å; V190-L194 HydrophobicContact CG1-CG 4.18Å; V190-L194 WeakPolarHBondContact O-CB 3.27Å; V190-L194 VanDerWaalsContact O-CG 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.33Å; V190-L194 PolarHBondContact O-N 2.86Å; L194-V196 VanDerWaalsContact C-N 3.3Å; L194-F199 HydrophobicContact CD2-CZ 3.83Å
195	S	89.7	Confident	90.1	Very high	39 Å²	39	43.4 Å²	43.4	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-69.9	-29.2	176.2	-62	0	0	0	0	112.6	N191 A192 V193	N191-S195 WeakPolarHBondContact O-CB 3.43Å; N191-S195 PolarHBondContact O-N 3.44Å; N191-S195 VanDerWaalsContact O-N 3.12Å; N191-S195 PolarHBondContact O-OG 2.84Å; A192-S195 WeakPolarHBondContact O-CB 3.37Å; A192-S195 PolarHBondContact O-N 3.39Å; V193-S195 PolarHBondContact O-N 3.46Å
196	V	90.2	Very high	90	Very high	8 Å²	8	45.8 Å²	45.8	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-101.4	-27.9	-174.9	179.3	0	0	0	0	112.5	A192 V193 L194 N198 V204 N205 M208 I209 K381 V383	A192-V196 WeakPolarHBondContact O-CG2 3.36Å; A192-V196 PolarHBondContact O-N 3.36Å; V193-V196 PolarHBondContact O-N 2.99Å; V193-V196 VanDerWaalsContact O-N 3.08Å; L194-V196 VanDerWaalsContact C-N 3.3Å; V196-N198 PolarHBondContact O-N 2.8Å; V196-V204 HydrophobicContact CG1-CG1 4.46Å; V196-N205 WeakPolarHBondContact CG1-O 3.43Å; V196-M208 HydrophobicContact CG1-CB 3.58Å; V196-M208 HydrophobicContact CG1-CG 4.19Å; V196-M208 HydrophobicContact CG2-CB 4.23Å; V196-I209 HydrophobicContact CB-CD1 4.27Å; V196-I209 HydrophobicContact CB-CG1 4.18Å; V196-I209 HydrophobicContact CG1-CG1 4.42Å; V196-I209 HydrophobicContact CG2-CD1 3.97Å; V196-I209 HydrophobicContact CG2-CG1 3.49Å; V196-I209 VanDerWaalsContact CG2-CG1 3.49Å; V196-K381 WeakPolarHBondContact CG2-O 3.33Å; V196-V383 HydrophobicContact CG2-CG2 3.78Å
197	A	88	Confident	89.9	Confident	11 Å²	11	53.4 Å²	53.4	9%	0.091	26%	0.263	C	S	.	.			trans	-55.2	135.6	-173.3	0	0	0	0	0	112.4	V193 F199 V204 I413	V193-A197 WeakPolarHBondContact O-CB 3.41Å; V193-A197 PolarHBondContact O-N 3.33Å; A197-F199 HydrophobicContact CB-CE2 4.25Å; A197-F199 HydrophobicContact CB-CZ 4.33Å; A197-V204 HydrophobicContact CB-CG2 4.1Å; A197-I413 HydrophobicContact CB-CD1 3.75Å
198	N	86.6	Confident	89.7	Confident	47 Å²	47	51.3 Å²	51.3	25%	0.251	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-103.3	105	167.9	-173.7	-5.9	0	0	0	109.2	V196 E200 T201 R202 D203	V196-N198 PolarHBondContact O-N 2.8Å; N198-E200 VanDerWaalsContact C-N 3.25Å; N198-E200 PolarHBondContact O-N 3.03Å; N198-E200 WeakPolarHBondContact OD1-CB 3.38Å; N198-E200 PolarHBondContact OD1-N 2.82Å; N198-T201 WeakPolarHBondContact CB-OG1 2.89Å; N198-T201 VanDerWaalsContact CG-OG1 3.32Å; N198-T201 PolarHBondContact ND2-OG1 3.45Å; N198-T201 PolarHBondContact O-N 3.39Å; N198-R202 VanDerWaalsContact O-CA 3.29Å; N198-R202 WeakPolarHBondContact O-CA 3.48Å; N198-R202 PolarHBondContact O-N 3.3Å; N198-D203 PolarHBondContact N-O 2.72Å; N198-D203 PolarHBondContact O-N 3.21Å; N198-D203 VanDerWaalsContact O-N 3.17Å
199	F	84.3	Confident	89.7	Confident	88 Å²	88	51.5 Å²	51.5	39%	0.386	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.4	179.7	-68.2	-80.5	0	0	0	113.5	V157 V159 L194 A197	V157-F199 HydrophobicContact CG1-CE1 4.26Å; V159-F199 HydrophobicContact CG2-CD2 4.32Å; V159-F199 HydrophobicContact CG2-CE1 4.24Å; V159-F199 HydrophobicContact CG2-CE2 3.37Å; V159-F199 HydrophobicContact CG2-CZ 3.32Å; L194-F199 HydrophobicContact CD2-CZ 3.83Å; A197-F199 HydrophobicContact CB-CE2 4.25Å; A197-F199 HydrophobicContact CB-CZ 4.33Å
200	E	84.5	Confident	89.6	Confident	183 Å²	183	53.3 Å²	53.3	86%	0.855	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-44.6	176.9	-60.2	179.5	172.7	0	0	111	N198	N198-E200 VanDerWaalsContact C-N 3.25Å; N198-E200 PolarHBondContact O-N 3.03Å; N198-E200 WeakPolarHBondContact OD1-CB 3.38Å; N198-E200 PolarHBondContact OD1-N 2.82Å
201	T	86.4	Confident	89.6	Confident	91 Å²	91	55 Å²	55	56%	0.558	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-4.6	177.9	60.9	0	0	0	0	113	N198 D203	N198-T201 WeakPolarHBondContact CB-OG1 2.89Å; N198-T201 VanDerWaalsContact CG-OG1 3.32Å; N198-T201 PolarHBondContact ND2-OG1 3.45Å; N198-T201 PolarHBondContact O-N 3.39Å; T201-D203 PolarHBondContact O-N 3.22Å
202	R	86.1	Confident	89.6	Confident	145 Å²	145	52.2 Å²	52.2	55%	0.547	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	42.7	-171.6	-65	-173.7	175.5	-171.3	-3.9	112.5	N198 R414	N198-R202 VanDerWaalsContact O-CA 3.29Å; N198-R202 WeakPolarHBondContact O-CA 3.48Å; N198-R202 PolarHBondContact O-N 3.3Å; R202-R414 WeakPolarHBondContact O-CG 3.38Å
203	D	87.4	Confident	89.5	Confident	62 Å²	62	54.9 Å²	54.9	33%	0.332	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-132.1	152.7	-176.1	-164.8	33	0	0	0	112.1	N198 T201 R414	N198-D203 PolarHBondContact N-O 2.72Å; N198-D203 PolarHBondContact O-N 3.21Å; N198-D203 VanDerWaalsContact O-N 3.17Å; T201-D203 PolarHBondContact O-N 3.22Å; D203-R414 IonicContact OD1-CZ 2.84Å; D203-R414 IonicContact OD1-NE 2.88Å; D203-R414 PolarHBondContact OD1-NE 2.98Å; D203-R414 IonicContact OD1-NH2 2.84Å; D203-R414 PolarHBondContact OD1-NH2 3.27Å
204	V	89.2	Confident	89.3	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.03	28%	0.278	C	S	.	.			trans	-126.7	114.7	-179.3	-175	0	0	0	0	107.6	V193 V196 A197 F206 I209 R410 I413	V193-V204 HydrophobicContact CG1-CB 4.47Å; V193-V204 HydrophobicContact CG1-CG1 3.92Å; V193-V204 HydrophobicContact CG1-CG2 3.75Å; V196-V204 HydrophobicContact CG1-CG1 4.46Å; A197-V204 HydrophobicContact CB-CG2 4.1Å; V204-F206 HydrophobicContact CG1-CD1 4.29Å; V204-F206 HydrophobicContact CG1-CE1 4.18Å; V204-F206 PolarHBondContact O-N 2.97Å; V204-I209 HydrophobicContact CG1-CD1 4.44Å; V204-R410 HydrophobicContact CB-CB 4.21Å; V204-R410 HydrophobicContact CB-CG 3.93Å; V204-R410 HydrophobicContact CG2-CB 4.07Å; V204-R410 HydrophobicContact CG2-CG 4Å; V204-I413 HydrophobicContact CG2-CB 4.44Å; V204-I413 HydrophobicContact CG2-CD1 3.77Å; V204-I413 HydrophobicContact CG2-CG2 4.35Å
205	N	88.9	Confident	89.2	Confident	68 Å²	68	58.7 Å²	58.7	36%	0.364	29%	0.292	S	S	.	.			trans	-83.7	105.8	174.8	-173.2	-3.5	0	0	0	110.3	V196 E207 M208	V196-N205 WeakPolarHBondContact CG1-O 3.43Å; N205-E207 PolarHBondContact ND2-OE2 3.39Å; N205-E207 PolarHBondContact O-N 3.46Å; N205-E207 VanDerWaalsContact OD1-CB 3.25Å; N205-E207 WeakPolarHBondContact OD1-CB 3.45Å; N205-E207 WeakPolarHBondContact OD1-CG 3.2Å; N205-E207 PolarHBondContact OD1-N 3.47Å; N205-M208 HydrophobicContact CB-CG 4.18Å; N205-M208 WeakPolarHBondContact O-CB 3.29Å; N205-M208 PolarHBondContact O-N 2.91Å
206	F	89.8	Confident	89	Confident	50 Å²	50	58 Å²	58	22%	0.219	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65.3	-20	177	-72.4	-41.3	0	0	0	114.6	V204 M208 I209 L406 R410	V204-F206 HydrophobicContact CG1-CD1 4.29Å; V204-F206 HydrophobicContact CG1-CE1 4.18Å; V204-F206 PolarHBondContact O-N 2.97Å; F206-M208 PolarHBondContact O-N 3.48Å; F206-M208 VanDerWaalsContact O-N 3.12Å; F206-I209 HydrophobicContact CD1-CD1 4.22Å; F206-I209 PolarHBondContact O-N 3.04Å; F206-L406 HydrophobicContact CE1-CB 3.8Å; F206-L406 HydrophobicContact CZ-CB 4.16Å; F206-R410 HydrophobicContact CE1-CB 4.37Å; F206-R410 HydrophobicContact CZ-CB 3.82Å; F206-R410 HydrophobicContact CZ-CG 4.26Å
207	E	89.1	Confident	88.8	Confident	159 Å²	159	59.8 Å²	59.8	74%	0.743	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-60.8	-23.9	174.5	-61.1	174.1	159.9	0	0	112.3	N205 I209	N205-E207 PolarHBondContact ND2-OE2 3.39Å; N205-E207 PolarHBondContact O-N 3.46Å; N205-E207 VanDerWaalsContact OD1-CB 3.25Å; N205-E207 WeakPolarHBondContact OD1-CB 3.45Å; N205-E207 WeakPolarHBondContact OD1-CG 3.2Å; N205-E207 PolarHBondContact OD1-N 3.47Å; E207-I209 VanDerWaalsContact C-N 3.34Å
208	M	90.1	Very high	88.8	Confident	22 Å²	22	62.4 Å²	62.4	11%	0.108	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-85.5	-7.4	178.2	-59.3	-69	-74.9	0	0	113.2	V196 N205 F206 I335 K381 A382 V383	V196-M208 HydrophobicContact CG1-CB 3.58Å; V196-M208 HydrophobicContact CG1-CG 4.19Å; V196-M208 HydrophobicContact CG2-CB 4.23Å; N205-M208 HydrophobicContact CB-CG 4.18Å; N205-M208 WeakPolarHBondContact O-CB 3.29Å; N205-M208 PolarHBondContact O-N 2.91Å; F206-M208 PolarHBondContact O-N 3.48Å; F206-M208 VanDerWaalsContact O-N 3.12Å; M208-I335 HydrophobicContact CE-CG2 3.61Å; M208-I335 HydrophobicContact SD-CG2 3.86Å; M208-K381 WeakPolarHBondContact CB-O 3.43Å; M208-K381 HydrophobicContact CE-CB 3.74Å; M208-A382 HydrophobicContact CE-CB 4.04Å; M208-V383 PolarHBondContact O-N 3.31Å
209	I	93	Very high	88.8	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.067	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	98.1	176.4	-56.6	-178.6	0	0	0	108.3	A192 V193 V196 V204 F206 E207 V383 I385 L406	A192-I209 HydrophobicContact CB-CD1 4.25Å; A192-I209 HydrophobicContact CB-CG2 4.29Å; V193-I209 HydrophobicContact CG2-CD1 4.15Å; V196-I209 HydrophobicContact CB-CD1 4.27Å; V196-I209 HydrophobicContact CB-CG1 4.18Å; V196-I209 HydrophobicContact CG1-CG1 4.42Å; V196-I209 HydrophobicContact CG2-CD1 3.97Å; V196-I209 HydrophobicContact CG2-CG1 3.49Å; V196-I209 VanDerWaalsContact CG2-CG1 3.49Å; V204-I209 HydrophobicContact CG1-CD1 4.44Å; F206-I209 HydrophobicContact CD1-CD1 4.22Å; F206-I209 PolarHBondContact O-N 3.04Å; E207-I209 VanDerWaalsContact C-N 3.34Å; I209-V383 WeakPolarHBondContact CA-O 3.49Å; I209-V383 HydrophobicContact CB-CG2 4.37Å; I209-V383 HydrophobicContact CG1-CG2 3.9Å; I209-V383 HydrophobicContact CG2-CG2 4.33Å; I209-I385 HydrophobicContact CG2-CD1 3.78Å; I209-I385 HydrophobicContact CG2-CG1 4.3Å; I209-L406 HydrophobicContact CD1-CD2 4.36Å; I209-L406 HydrophobicContact CG2-CD1 4.1Å
210	K	92.5	Very high	89	Confident	39 Å²	39	63.4 Å²	63.4	17%	0.17	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	134.2	174.9	-172.8	-177.1	179.6	-167.5	0	109.9	V212 L229 E329 L332 V383 T384 I385	K210-V212 HydrophobicContact CD-CG2 3.95Å; K210-V212 HydrophobicContact CG-CG2 4.06Å; K210-L229 PolarHBondContact NZ-O 3.25Å; K210-E329 VanDerWaalsContact NZ-CG 3.33Å; K210-E329 IonicContact NZ-OE1 3.14Å; K210-E329 PolarHBondContact NZ-OE1 3.1Å; K210-L332 HydrophobicContact CB-CD2 3.67Å; K210-L332 HydrophobicContact CD-CD2 3.94Å; K210-L332 HydrophobicContact CG-CD2 4.35Å; K210-V383 PolarHBondContact N-O 3.44Å; K210-T384 HydrophobicContact CB-CG2 3.99Å; K210-T384 HydrophobicContact CD-CG2 4.17Å; K210-T384 HydrophobicContact CG-CG2 4.16Å; K210-T384 CarbonylContact O-C 3.5Å; K210-T384 VanDerWaalsContact O-CA 3.23Å; K210-T384 WeakPolarHBondContact O-CA 3.49Å; K210-T384 WeakPolarHBondContact O-CG2 3.38Å; K210-I385 PolarHBondContact O-N 3.39Å
211	I	93.5	Very high	89.2	Confident	34 Å²	34	58.7 Å²	58.7	17%	0.174	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.9	171	-55.6	170.6	0	0	0	108.5	I385 I387 K399 L402 L406	I211-I385 HydrophobicContact CG1-CD1 4.49Å; I211-I387 HydrophobicContact CG2-CD1 3.46Å; I211-I387 VanDerWaalsContact CG2-CD1 3.46Å; I211-I387 HydrophobicContact CG2-CG1 3.98Å; I211-K399 HydrophobicContact CG2-CD 4.37Å; I211-K399 HydrophobicContact CG2-CG 3.91Å; I211-L402 HydrophobicContact CD1-CD2 4.11Å; I211-L402 HydrophobicContact CG1-CD2 4.29Å; I211-L402 HydrophobicContact CG2-CD2 4.22Å; I211-L406 HydrophobicContact CD1-CD1 3.85Å
212	V	92.7	Very high	89.5	Confident	13 Å²	13	54.7 Å²	54.7	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.1	177.1	177.4	0	0	0	0	108.8	K210 L229 M371 T384 I385 L386 I387	K210-V212 HydrophobicContact CD-CG2 3.95Å; K210-V212 HydrophobicContact CG-CG2 4.06Å; V212-L229 HydrophobicContact CB-CD2 4.26Å; V212-L229 HydrophobicContact CG1-CD2 4.2Å; V212-M371 HydrophobicContact CG1-SD 4.09Å; V212-T384 HydrophobicContact CB-CG2 4.25Å; V212-T384 HydrophobicContact CG2-CG2 3.62Å; V212-I385 PolarHBondContact N-O 3.19Å; V212-L386 HydrophobicContact CG1-CD1 4.44Å; V212-L386 CarbonylContact O-C 3.49Å; V212-L386 WeakPolarHBondContact O-CA 2.84Å; V212-I387 PolarHBondContact O-N 3.39Å
213	D	91.2	Very high	89.8	Confident	57 Å²	57	51.4 Å²	51.4	31%	0.305	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.5	174.2	47.5	-66.6	0	0	0	111.6	V395 K399	D213-V395 HydrophobicContact CB-CG1 3.37Å; D213-K399 HydrophobicContact CB-CD 4.45Å; D213-K399 IonicContact OD1-NZ 3.39Å; D213-K399 PolarHBondContact OD1-NZ 3.28Å
214	K	89.6	Confident	90.1	Very high	31 Å²	31	50.3 Å²	50.3	14%	0.135	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	126.5	171.3	-166.9	75.8	165.6	-158.3	0	111.6	D231 E369 M371 L386 I387 R388	K214-D231 IonicContact NZ-OD1 2.67Å; K214-D231 PolarHBondContact NZ-OD1 3.19Å; K214-D231 IonicContact NZ-OD2 2.68Å; K214-D231 PolarHBondContact NZ-OD2 3.31Å; K214-E369 WeakPolarHBondContact CE-OE2 3.45Å; K214-E369 IonicContact NZ-OE2 3.94Å; K214-M371 HydrophobicContact CB-CE 3.29Å; K214-M371 HydrophobicContact CD-CE 3.66Å; K214-M371 HydrophobicContact CG-CE 3.33Å; K214-L386 HydrophobicContact CB-CD1 4.32Å; K214-I387 PolarHBondContact N-O 3.24Å; K214-R388 VanDerWaalsContact CB-NH1 3.32Å; K214-R388 PolarHBondContact O-NE 3.2Å
215	V	89.3	Confident	90.3	Very high	67 Å²	67	50.2 Å²	50.2	41%	0.406	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	145.5	-178.5	-174	0	0	0	0	111.1	R388 K392	V215-R388 PolarHBondContact O-NH2 3.34Å; V215-K392 HydrophobicContact CG2-CB 3.99Å; V215-K392 HydrophobicContact CG2-CG 4.4Å
216	G	86.5	Confident	90.4	Very high	24 Å²	24	54.1 Å²	54.1	25%	0.247	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	107.9	156.3	179.7	0	0	0	0	0	112.6	R388 G389	G216-R388 VanDerWaalsContact O-CZ 3.27Å; G216-R388 PolarHBondContact O-NE 3.4Å; G216-R388 PolarHBondContact O-NH2 3.41Å; G216-G389 CarbonylContact C-O 3.58Å; G216-G389 WeakPolarHBondContact CA-O 3.34Å; G216-G389 PolarHBondContact N-O 3.27Å; G216-G389 PolarHBondContact O-N 2.89Å
217	G	85.8	Confident	90.5	Very high	47 Å²	47	51.7 Å²	51.7	49%	0.485	28%	0.279	S	S	.	.	S	Bend	trans	75.5	-167.3	-174.2	0	0	0	0	0	112.6	D221 G389 G390	G217-D221 WeakPolarHBondContact CA-OD2 3.41Å; G217-G389 CarbonylContact O-C 3.58Å; G217-G389 VanDerWaalsContact O-C 3.3Å; G217-G390 WeakPolarHBondContact O-CA 3.03Å; G217-G390 PolarHBondContact O-N 2.77Å; G217-G390 VanDerWaalsContact O-N 3.14Å
218	S	88.2	Confident	90.6	Very high	65 Å²	65	44.1 Å²	44.1	46%	0.455	24%	0.244	S	C	.	.			trans	-99.9	161.7	177.5	-106	0	0	0	0	111.5	E220 D221 R388	S218-E220 PolarHBondContact O-N 2.93Å; S218-D221 PolarHBondContact N-OD2 2.91Å; S218-D221 WeakPolarHBondContact O-CB 3.34Å; S218-D221 PolarHBondContact O-N 3.4Å; S218-D221 VanDerWaalsContact O-N 3.09Å; S218-R388 WeakPolarHBondContact O-CB 3.33Å
219	L	86.6	Confident	90.8	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.136	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.7	-29	171	-80.5	165.9	0	0	0	112.1	C181 D221 S222 R388 I394 A398	C181-L219 HydrophobicContact CB-CB 4.15Å; L219-D221 PolarHBondContact O-N 3.5Å; L219-S222 WeakPolarHBondContact O-CB 3.23Å; L219-S222 PolarHBondContact O-N 3.2Å; L219-S222 VanDerWaalsContact O-N 3.16Å; L219-S222 PolarHBondContact O-OG 3.34Å; L219-R388 WeakPolarHBondContact CA-O 3.36Å; L219-R388 WeakPolarHBondContact CD2-O 3.46Å; L219-I394 HydrophobicContact CD1-CG2 3.67Å; L219-I394 HydrophobicContact CD2-CG2 4.05Å; L219-I394 HydrophobicContact CG-CG2 3.94Å; L219-A398 HydrophobicContact CD2-CB 3.52Å
220	E	88.3	Confident	90.8	Very high	130 Å²	130	42.5 Å²	42.5	61%	0.607	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-63.6	-25.5	175.7	-60.1	178.1	-178.1	0	0	113.2	C181 N184 S218 S222	C181-E220 WeakPolarHBondContact SG-CG 3.38Å; N184-E220 PolarHBondContact ND2-O 3.47Å; S218-E220 PolarHBondContact O-N 2.93Å; E220-S222 PolarHBondContact O-N 3.02Å
221	D	89.3	Confident	90.7	Very high	85 Å²	85	43.4 Å²	43.4	46%	0.455	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-76.9	-2.2	177.5	-57.6	-39.6	0	0	0	112.6	G217 S218 L219 R388	G217-D221 WeakPolarHBondContact CA-OD2 3.41Å; S218-D221 PolarHBondContact N-OD2 2.91Å; S218-D221 WeakPolarHBondContact O-CB 3.34Å; S218-D221 PolarHBondContact O-N 3.4Å; S218-D221 VanDerWaalsContact O-N 3.09Å; L219-D221 PolarHBondContact O-N 3.5Å; D221-R388 HydrophobicContact CB-CB 3.94Å; D221-R388 HydrophobicContact CB-CG 3.98Å
222	S	91.7	Very high	90.6	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.042	25%	0.25	C	S	.	.			trans	-66.5	141.3	174.2	-54.4	0	0	0	0	110.2	I188 L219 E220 L386 R388	I188-S222 WeakPolarHBondContact CD1-O 3.48Å; L219-S222 WeakPolarHBondContact O-CB 3.23Å; L219-S222 PolarHBondContact O-N 3.2Å; L219-S222 VanDerWaalsContact O-N 3.16Å; L219-S222 PolarHBondContact O-OG 3.34Å; E220-S222 PolarHBondContact O-N 3.02Å; S222-L386 CarbonylContact C-O 3.57Å; S222-L386 WeakPolarHBondContact CA-O 3.11Å; S222-L386 VanDerWaalsContact CB-O 3.3Å; S222-L386 WeakPolarHBondContact CB-O 3.45Å; S222-R388 PolarHBondContact OG-N 3.29Å
223	M	93.1	Very high	90.4	Very high	77 Å²	77	47.5 Å²	47.5	38%	0.379	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	155.8	-174.5	66.9	-178.9	79.4	0	0	113	V225 L386	M223-V225 HydrophobicContact CG-CG2 4.28Å; M223-L386 HydrophobicContact CG-CB 4.2Å; M223-L386 HydrophobicContact CG-CD2 4.35Å; M223-L386 PolarHBondContact N-O 3.36Å; M223-L386 PolarHBondContact O-N 3.27Å
224	L	93.9	Very high	90.4	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.199	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116	170	-179.6	64.3	0	0	0	110.3	I188 N191 A192 V383 I385	I188-L224 HydrophobicContact CG2-CB 4.32Å; N191-L224 HydrophobicContact CB-CD2 3.53Å; A192-L224 HydrophobicContact CB-CD1 3.79Å; A192-L224 HydrophobicContact CB-CD2 4.44Å; L224-V383 HydrophobicContact CD1-CB 3.98Å; L224-V383 HydrophobicContact CD1-CG2 4.16Å; L224-I385 HydrophobicContact CD1-CG1 3.77Å
225	V	92.4	Very high	90.4	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118	172	-178.3	0	0	0	0	108.7	M223 G227 A373 E375 T384	M223-V225 HydrophobicContact CG-CG2 4.28Å; V225-G227 PolarHBondContact O-N 3Å; V225-A373 HydrophobicContact CG1-CB 4.37Å; V225-E375 HydrophobicContact CG1-CG 3.78Å; V225-T384 WeakPolarHBondContact CA-O 3.46Å; V225-T384 WeakPolarHBondContact CB-O 3.45Å; V225-T384 PolarHBondContact N-O 3.32Å; V225-T384 PolarHBondContact O-N 2.83Å
226	K	90.9	Very high	90.3	Very high	150 Å²	150	43.4 Å²	43.4	65%	0.652	24%	0.241	S	C	*	.	S	Bend	trans	-75.9	75.6	174.8	-68.5	-176.6	179.4	177.8	0	110.6
227	G	91.7	Very high	90.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-146.6	-179	0	0	0	0	0	111.2	V225 I374 A382 V383 T384	V225-G227 PolarHBondContact O-N 3Å; G227-I374 CarbonylContact C-O 3.56Å; G227-I374 VanDerWaalsContact CA-O 3.28Å; G227-I374 WeakPolarHBondContact CA-O 3.24Å; G227-A382 WeakPolarHBondContact CA-O 3.33Å; G227-A382 PolarHBondContact N-O 2.95Å; G227-V383 CarbonylContact O-C 3.53Å; G227-V383 VanDerWaalsContact O-C 3.3Å; G227-V383 WeakPolarHBondContact O-CA 3.43Å; G227-T384 WeakPolarHBondContact O-CB 3.35Å; G227-T384 PolarHBondContact O-N 3.39Å; G227-T384 PolarHBondContact O-OG1 3.21Å
228	V	93.1	Very high	90.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.2	-174.4	-170.7	0	0	0	0	111.7	V230 L332 I333 A336 I374 T384	V228-V230 HydrophobicContact CG1-CG2 4.34Å; V228-L332 HydrophobicContact CG1-CD2 4.04Å; V228-L332 HydrophobicContact CG1-CG 4.45Å; V228-L332 HydrophobicContact CG2-CB 4.4Å; V228-L332 HydrophobicContact CG2-CD2 3.98Å; V228-L332 HydrophobicContact CG2-CG 3.76Å; V228-I333 HydrophobicContact CB-CG1 3.89Å; V228-I333 HydrophobicContact CG1-CD1 4.38Å; V228-I333 HydrophobicContact CG1-CG1 3.7Å; V228-I333 HydrophobicContact CG2-CG1 4.14Å; V228-A336 HydrophobicContact CG2-CB 3.8Å; V228-I374 PolarHBondContact N-O 2.96Å; V228-I374 PolarHBondContact O-N 3.37Å; V228-T384 WeakPolarHBondContact CA-OG1 3.47Å
229	L	93.4	Very high	90.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.6	170.4	-165.6	69.3	0	0	0	110.2	K210 V212 L362 M371 L372 A373 T384 L386	K210-L229 PolarHBondContact NZ-O 3.25Å; V212-L229 HydrophobicContact CB-CD2 4.26Å; V212-L229 HydrophobicContact CG1-CD2 4.2Å; L229-L362 HydrophobicContact CD1-CD1 3.81Å; L229-M371 HydrophobicContact CD1-CB 3.87Å; L229-M371 HydrophobicContact CD1-SD 4.3Å; L229-M371 HydrophobicContact CD2-SD 3.48Å; L229-M371 WeakPolarHBondContact CD2-SD 3.28Å; L229-M371 HydrophobicContact CG-CB 4.18Å; L229-M371 HydrophobicContact CG-SD 3.78Å; L229-L372 WeakPolarHBondContact CA-O 3.44Å; L229-A373 HydrophobicContact CD1-CB 3.84Å; L229-T384 HydrophobicContact CB-CG2 3.54Å; L229-T384 PolarHBondContact N-OG1 2.93Å; L229-L386 HydrophobicContact CD2-CB 3.93Å; L229-L386 HydrophobicContact CD2-CD1 3.81Å; L229-L386 HydrophobicContact CD2-CD2 4.14Å; L229-L386 HydrophobicContact CD2-CG 4.16Å
230	V	92.8	Very high	90.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.2	179.5	-177.3	0	0	0	0	108.8	V228 K232 I325 I333 M371 L372	V228-V230 HydrophobicContact CG1-CG2 4.34Å; V230-K232 HydrophobicContact CG1-CB 3.93Å; V230-K232 HydrophobicContact CG1-CG 3.89Å; V230-K232 PolarHBondContact O-N 3.36Å; V230-I325 HydrophobicContact CG1-CG1 4.4Å; V230-I325 HydrophobicContact CG1-CG2 4.37Å; V230-I333 HydrophobicContact CG2-CD1 3.72Å; V230-M371 WeakPolarHBondContact O-CA 3.45Å; V230-M371 WeakPolarHBondContact O-CB 3.41Å; V230-L372 HydrophobicContact CB-CB 4.36Å; V230-L372 PolarHBondContact N-O 3.36Å; V230-L372 PolarHBondContact O-N 2.89Å
231	D	90.7	Very high	90.6	Very high	59 Å²	59	51.1 Å²	51.1	32%	0.316	27%	0.267	S	S	.	.	S	Bend	trans	-79	56.4	177.7	-170.1	37	0	0	0	111.8	K214	K214-D231 IonicContact NZ-OD1 2.67Å; K214-D231 PolarHBondContact NZ-OD1 3.19Å; K214-D231 IonicContact NZ-OD2 2.68Å; K214-D231 PolarHBondContact NZ-OD2 3.31Å
232	K	91	Very high	90.7	Very high	78 Å²	78	51.7 Å²	51.7	34%	0.339	27%	0.267	S	S	.	.			trans	-146.7	148.5	177.1	-58.4	-67.1	161.3	-116.7	0	109.2	V230 V322 W324 L372	V230-K232 HydrophobicContact CG1-CB 3.93Å; V230-K232 HydrophobicContact CG1-CG 3.89Å; V230-K232 PolarHBondContact O-N 3.36Å; K232-V322 HydrophobicContact CB-CG1 3.87Å; K232-W324 HydrophobicContact CD-CB 4.37Å; K232-W324 WeakPolarHBondContact CE-O 3.38Å; K232-L372 PolarHBondContact O-N 2.92Å; K232-L372 VanDerWaalsContact O-N 3.15Å
233	S	89	Confident	90.7	Very high	55 Å²	55	52.8 Å²	52.8	39%	0.385	27%	0.272	S	S	.	.			trans	-93.6	173.8	171	68.4	0	0	0	0	111	S370	S233-S370 WeakPolarHBondContact CB-OG 3.5Å
234	F	92	Very high	90.7	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.035	29%	0.285	C	S	.	.			trans	-56.5	146.5	162.6	-69.3	-69.9	0	0	0	110.7	H236 M239 P240 L243 L299 N320 V322 V359 E361 L372	F234-H236 PolarHBondContact O-N 3.25Å; F234-M239 HydrophobicContact CB-CB 4.04Å; F234-M239 HydrophobicContact CB-SD 4.03Å; F234-M239 HydrophobicContact CD1-SD 4.34Å; F234-M239 HydrophobicContact CG-CB 4.26Å; F234-P240 VanDerWaalsContact CE2-O 3.26Å; F234-P240 WeakPolarHBondContact CE2-O 3.29Å; F234-L243 HydrophobicContact CE1-CD1 4.29Å; F234-L243 HydrophobicContact CZ-CD1 4.22Å; F234-L299 HydrophobicContact CD1-CD1 4.41Å; F234-L299 HydrophobicContact CE1-CD1 3.87Å; F234-N320 HydrophobicContact CD1-CB 4.07Å; F234-N320 HydrophobicContact CE1-CB 3.87Å; F234-V322 HydrophobicContact CD1-CG2 4.04Å; F234-V322 HydrophobicContact CE1-CG2 4.37Å; F234-V359 HydrophobicContact CZ-CG1 4.23Å; F234-E361 HydrophobicContact CD2-CB 4.36Å; F234-E361 HydrophobicContact CE2-CB 4.2Å; F234-L372 HydrophobicContact CD1-CD1 4.48Å; F234-L372 HydrophobicContact CD2-CD1 4.23Å; F234-L372 HydrophobicContact CE1-CD1 3.91Å; F234-L372 HydrophobicContact CE2-CD1 3.61Å; F234-L372 HydrophobicContact CZ-CD1 3.45Å; F234-L372 VanDerWaalsContact CZ-CD1 3.45Å
235	S	88.5	Confident	90.6	Very high	14 Å²	14	60.7 Å²	60.7	10%	0.098	30%	0.303	C	S	.	.	S	Bend	trans	-67.6	-22.3	-175.3	51.3	0	0	0	0	114	M239 N311 A321	S235-M239 VanDerWaalsContact OG-CE 3.26Å; S235-M239 WeakPolarHBondContact OG-CE 3.23Å; S235-N311 WeakPolarHBondContact CB-OD1 3.26Å; S235-N311 PolarHBondContact O-ND2 2.61Å; S235-N311 PolarHBondContact OG-OD1 3.31Å; S235-A321 VanDerWaalsContact CB-O 3.3Å; S235-A321 WeakPolarHBondContact CB-O 3.35Å; S235-A321 PolarHBondContact N-O 3.4Å; S235-A321 PolarHBondContact OG-O 2.72Å
236	H	88.2	Confident	90.6	Very high	47 Å²	47	60.5 Å²	60.5	22%	0.218	30%	0.302	C	S	.	.	S	Bend	trans	-135.2	140.6	179.6	-162.4	-82.6	0	0	0	111.4	F234 Q238 M239 V315	F234-H236 PolarHBondContact O-N 3.25Å; H236-Q238 VanDerWaalsContact C-N 3.3Å; H236-Q238 PolarHBondContact CE1-OE1 3.2Å; H236-Q238 PolarHBondContact ND1-N 2.75Å; H236-Q238 PolarHBondContact O-N 3.26Å; H236-M239 HydrophobicContact CB-CE 3.93Å; H236-M239 HydrophobicContact CB-CG 4.08Å; H236-M239 HydrophobicContact CB-SD 4.2Å; H236-M239 WeakPolarHBondContact O-CB 3.41Å; H236-M239 PolarHBondContact O-N 2.99Å; H236-M239 VanDerWaalsContact O-N 3.13Å; H236-V315 HydrophobicContact CB-CG2 3.49Å; H236-V315 VanDerWaalsContact CB-CG2 3.49Å
237	S	85.5	Confident	90.8	Very high	114 Å²	114	58.6 Å²	58.6	80%	0.797	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.2	-173.8	56.9	0	0	0	0	114.7	M239	S237-M239 VanDerWaalsContact C-N 3.3Å
238	Q	87.8	Confident	90.8	Very high	141 Å²	141	58.6 Å²	58.6	66%	0.659	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.2	175.6	-66.3	179.8	-33.6	0	0	113.5	H236 V315	H236-Q238 VanDerWaalsContact C-N 3.3Å; H236-Q238 PolarHBondContact CE1-OE1 3.2Å; H236-Q238 PolarHBondContact ND1-N 2.75Å; H236-Q238 PolarHBondContact O-N 3.26Å; Q238-V315 HydrophobicContact CB-CG1 4.25Å
239	M	89.1	Confident	90.9	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.039	29%	0.294	C	S	.	.	S	Bend	trans	-68.6	140.9	176	-70.5	179	178.9	0	0	110.4	F234 S235 H236 S237 K241 L314 V315 N320 A321	F234-M239 HydrophobicContact CB-CB 4.04Å; F234-M239 HydrophobicContact CB-SD 4.03Å; F234-M239 HydrophobicContact CD1-SD 4.34Å; F234-M239 HydrophobicContact CG-CB 4.26Å; S235-M239 VanDerWaalsContact OG-CE 3.26Å; S235-M239 WeakPolarHBondContact OG-CE 3.23Å; H236-M239 HydrophobicContact CB-CE 3.93Å; H236-M239 HydrophobicContact CB-CG 4.08Å; H236-M239 HydrophobicContact CB-SD 4.2Å; H236-M239 WeakPolarHBondContact O-CB 3.41Å; H236-M239 PolarHBondContact O-N 2.99Å; H236-M239 VanDerWaalsContact O-N 3.13Å; S237-M239 VanDerWaalsContact C-N 3.3Å; M239-K241 PolarHBondContact O-N 3.29Å; M239-L314 HydrophobicContact CE-CB 4.34Å; M239-V315 HydrophobicContact CE-CG2 3.54Å; M239-V315 HydrophobicContact CG-CG2 4Å; M239-N320 HydrophobicContact SD-CB 4.27Å; M239-A321 HydrophobicContact CE-CB 4.14Å; M239-A321 PolarHBondContact SD-N 2.88Å
240	P	88.7	Confident	91	Very high	69 Å²	69	58.8 Å²	58.8	45%	0.448	30%	0.295	S	S	.	.			trans	-55.4	133.3	173.2	-25.2	31.4	0	0	0	112	F234 L243 N320	F234-P240 VanDerWaalsContact CE2-O 3.26Å; F234-P240 WeakPolarHBondContact CE2-O 3.29Å; P240-L243 HydrophobicContact CB-CD2 3.96Å; P240-L243 HydrophobicContact CG-CD2 4.37Å; P240-N320 WeakPolarHBondContact CD-OD1 3.46Å; P240-N320 PolarHBondContact O-ND2 3.39Å
241	K	89.7	Confident	91	Very high	122 Å²	122	58.8 Å²	58.8	53%	0.53	30%	0.295	S	S	.	.	S	Bend	trans	-79	-18	-179	-64.2	-170.9	174.6	-173	0	114.2	M239 R360 E361	M239-K241 PolarHBondContact O-N 3.29Å; K241-R360 CarbonylContact O-C 3.54Å; K241-R360 WeakPolarHBondContact O-CA 3.43Å; K241-E361 HydrophobicContact CB-CB 4.26Å; K241-E361 PolarHBondContact O-N 2.82Å
242	E	91.8	Very high	91.1	Very high	97 Å²	97	57.8 Å²	57.8	45%	0.453	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130	176.7	-173.4	-179.1	141.9	0	0	108.8	R244 L358 V359 R360	E242-R244 IonicContact OE1-CZ 2.61Å; E242-R244 VanDerWaalsContact OE1-CZ 3.28Å; E242-R244 IonicContact OE1-NE 3.89Å; E242-R244 PolarHBondContact OE1-NE 2.78Å; E242-R244 IonicContact OE1-NH2 3.96Å; E242-R244 PolarHBondContact OE1-NH2 3.29Å; E242-L358 HydrophobicContact CG-CD1 3.73Å; E242-V359 CarbonylContact C-O 3.51Å; E242-V359 WeakPolarHBondContact CA-O 3.41Å; E242-R360 HydrophobicContact CG-CB 4.47Å
243	L	91.7	Very high	91.1	Very high	28 Å²	28	54.7 Å²	54.7	15%	0.147	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.1	176	-60.2	174	0	0	0	109.1	F234 P240 V246 L299 N320 V359	F234-L243 HydrophobicContact CE1-CD1 4.29Å; F234-L243 HydrophobicContact CZ-CD1 4.22Å; P240-L243 HydrophobicContact CB-CD2 3.96Å; P240-L243 HydrophobicContact CG-CD2 4.37Å; L243-V246 HydrophobicContact CB-CG2 3.41Å; L243-V246 VanDerWaalsContact CB-CG2 3.41Å; L243-V246 HydrophobicContact CD1-CG1 4.35Å; L243-V246 HydrophobicContact CD1-CG2 4.39Å; L243-L299 HydrophobicContact CD1-CB 4.47Å; L243-N320 HydrophobicContact CD1-CB 3.88Å; L243-V359 HydrophobicContact CB-CB 4.38Å; L243-V359 PolarHBondContact N-O 3.22Å; L243-V359 PolarHBondContact O-N 3.32Å
244	R	92.9	Very high	91.1	Very high	173 Å²	173	54.2 Å²	54.2	65%	0.653	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	147	177	-66.4	179.9	179.3	-112.4	-3.1	110.8	E242 G357 L358	E242-R244 IonicContact OE1-CZ 2.61Å; E242-R244 VanDerWaalsContact OE1-CZ 3.28Å; E242-R244 IonicContact OE1-NE 3.89Å; E242-R244 PolarHBondContact OE1-NE 2.78Å; E242-R244 IonicContact OE1-NH2 3.96Å; E242-R244 PolarHBondContact OE1-NH2 3.29Å; R244-G357 CarbonylContact C-O 3.6Å; R244-G357 VanDerWaalsContact CA-O 3.31Å; R244-G357 WeakPolarHBondContact CA-O 3.37Å; R244-L358 HydrophobicContact CG-CD1 4.05Å
245	N	92	Very high	91	Very high	108 Å²	108	53.8 Å²	53.8	58%	0.578	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.8	57.4	-179.4	-58.1	-44.5	0	0	0	112.3	Y355 G357	N245-Y355 HydrophobicContact CB-CE2 4.47Å; N245-Y355 PolarHBondContact OD1-OH 2.87Å; N245-G357 PolarHBondContact N-O 2.98Å
246	V	92.4	Very high	90.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.7	-169.4	-169.2	0	0	0	0	111	L243 L248 S298 L299 Y355 A356 V359	L243-V246 HydrophobicContact CB-CG2 3.41Å; L243-V246 VanDerWaalsContact CB-CG2 3.41Å; L243-V246 HydrophobicContact CD1-CG1 4.35Å; L243-V246 HydrophobicContact CD1-CG2 4.39Å; V246-L248 HydrophobicContact CB-CD1 4.37Å; V246-L248 HydrophobicContact CG1-CD1 4.32Å; V246-L248 HydrophobicContact CG1-CG 4.07Å; V246-L248 WeakPolarHBondContact O-CD1 3.3Å; V246-S298 WeakPolarHBondContact CA-OG 3.48Å; V246-S298 VanDerWaalsContact CG1-OG 3.28Å; V246-S298 WeakPolarHBondContact CG1-OG 3.38Å; V246-L299 HydrophobicContact CG1-CB 3.5Å; V246-L299 VanDerWaalsContact CG1-CB 3.5Å; V246-L299 HydrophobicContact CG1-CD2 4.07Å; V246-L299 HydrophobicContact CG1-CG 4.45Å; V246-Y355 WeakPolarHBondContact O-CA 3.35Å; V246-A356 PolarHBondContact N-O 3.06Å; V246-A356 PolarHBondContact O-N 3.47Å; V246-V359 HydrophobicContact CB-CG2 4.04Å; V246-V359 HydrophobicContact CG1-CG2 4.21Å; V246-V359 HydrophobicContact CG2-CB 4.14Å; V246-V359 HydrophobicContact CG2-CG2 3.78Å
247	K	94.2	Very high	90.7	Very high	110 Å²	110	55.5 Å²	55.5	48%	0.478	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.2	169.5	-69.7	-179.9	178.3	179.5	0	109.6	G296 S297 S298 L299 L353 G354	K247-G296 VanDerWaalsContact CD-O 3.3Å; K247-G296 WeakPolarHBondContact CD-O 3.33Å; K247-S297 CarbonylContact O-C 3.3Å; K247-S297 WeakPolarHBondContact O-CA 3.35Å; K247-S297 PolarHBondContact O-OG 2.84Å; K247-S298 PolarHBondContact N-OG 3.41Å; K247-S298 PolarHBondContact O-N 3Å; K247-L299 PolarHBondContact O-N 3.39Å; K247-L353 HydrophobicContact CB-CD1 4.21Å; K247-G354 CarbonylContact C-O 3.58Å; K247-G354 WeakPolarHBondContact CA-O 3.31Å
248	L	93.1	Very high	90.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.4	-170.5	-55.7	94.7	0	0	0	111	V246 L299 L301 T337 L353 G354 A356 V359 I374	V246-L248 HydrophobicContact CB-CD1 4.37Å; V246-L248 HydrophobicContact CG1-CD1 4.32Å; V246-L248 HydrophobicContact CG1-CG 4.07Å; V246-L248 WeakPolarHBondContact O-CD1 3.3Å; L248-L299 CarbonylContact C-O 3.46Å; L248-L299 WeakPolarHBondContact CA-O 3.23Å; L248-L299 HydrophobicContact CD2-CD2 3.8Å; L248-L299 HydrophobicContact CD2-CG 4.46Å; L248-L299 HydrophobicContact CG-CD2 4.34Å; L248-L301 HydrophobicContact CD2-CD1 3.68Å; L248-L301 HydrophobicContact CD2-CG 4.32Å; L248-T337 HydrophobicContact CD1-CG2 4.08Å; L248-T337 HydrophobicContact CD2-CG2 4.5Å; L248-L353 CarbonylContact O-C 3.31Å; L248-L353 WeakPolarHBondContact O-CA 3.2Å; L248-G354 PolarHBondContact N-O 2.89Å; L248-G354 PolarHBondContact O-N 3.47Å; L248-A356 HydrophobicContact CD1-CB 3.63Å; L248-V359 HydrophobicContact CD2-CG2 4.49Å; L248-I374 HydrophobicContact CD2-CD1 4.19Å; L248-I374 HydrophobicContact CD2-CG2 4.32Å
249	A	94.4	Very high	90.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.4	165.7	0	0	0	0	0	108.7	L251 S297 L299 L301 L348 L353	A249-L251 HydrophobicContact CB-CG 4.38Å; A249-S297 WeakPolarHBondContact CB-OG 3.41Å; A249-S297 PolarHBondContact N-OG 3.17Å; A249-L299 PolarHBondContact N-O 2.9Å; A249-L301 PolarHBondContact O-N 3.28Å; A249-L348 HydrophobicContact CB-CD1 4Å; A249-L348 HydrophobicContact CB-CD2 4.13Å; A249-L353 HydrophobicContact CB-CD2 3.81Å
250	I	95	Very high	89.7	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.2	179.5	-54.8	173.3	0	0	0	108.2	V330 I333 A334 I341 V342	I250-V330 HydrophobicContact CG2-CG1 3.56Å; I250-I333 HydrophobicContact CD1-CG2 3.93Å; I250-I333 HydrophobicContact CG1-CG2 4.37Å; I250-A334 VanDerWaalsContact CD1-CA 3.46Å; I250-A334 HydrophobicContact CD1-CB 3.82Å; I250-I341 HydrophobicContact CG2-CG1 4.13Å; I250-V342 PolarHBondContact O-N 2.86Å
251	L	94.1	Very high	89.2	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.9	-167.9	-59.3	171.7	0	0	0	111.5	A249 F255 V292 A300 L301 C302 Q303 V342 F345 L348	A249-L251 HydrophobicContact CB-CG 4.38Å; L251-F255 HydrophobicContact CD1-CE2 4.09Å; L251-F255 HydrophobicContact CD1-CZ 4.31Å; L251-V292 HydrophobicContact CD1-CG2 4.31Å; L251-A300 HydrophobicContact CD1-CB 4.41Å; L251-L301 PolarHBondContact N-O 3.32Å; L251-C302 WeakPolarHBondContact O-CA 3.24Å; L251-Q303 PolarHBondContact O-N 3.01Å; L251-V342 WeakPolarHBondContact CA-O 3.25Å; L251-V342 HydrophobicContact CD2-CB 4.11Å; L251-V342 HydrophobicContact CD2-CG1 4.29Å; L251-F345 HydrophobicContact CD1-CD1 4.23Å; L251-F345 HydrophobicContact CD1-CE1 3.77Å; L251-L348 HydrophobicContact CD2-CD1 4.19Å
252	T	92.3	Very high	88.9	Confident	37 Å²	37	65.8 Å²	65.8	23%	0.227	33%	0.329	C	S	.	.			trans	-106.6	5.5	170.5	55.4	0	0	0	0	112.9	W304 V330 I341 V342 P343	T252-W304 PolarHBondContact O-NE1 2.63Å; T252-V330 HydrophobicContact CG2-CG1 4.47Å; T252-I341 HydrophobicContact CG2-CG2 3.36Å; T252-V342 PolarHBondContact N-O 3.43Å; T252-P343 VanDerWaalsContact OG1-CA 3.3Å; T252-P343 WeakPolarHBondContact OG1-CA 3.47Å
253	C	89.7	Confident	88.2	Confident	14 Å²	14	71.3 Å²	71.3	10%	0.095	35%	0.351	C	S	.	.	S	Bend	trans	-93.4	142.2	169.6	49.6	0	0	0	0	111.8	P343 F345	C253-P343 WeakPolarHBondContact CB-O 3.37Å; C253-F345 HydrophobicContact CB-CE2 4.13Å; C253-F345 HydrophobicContact CB-CZ 4.49Å; C253-F345 VanDerWaalsContact SG-CE2 3.56Å
254	P	90.3	Very high	87.5	Confident	44 Å²	44	74 Å²	74	29%	0.286	37%	0.369	S	S	.	.			trans	-73.4	153.6	171.5	30.9	-34.3	0	0	0	111.6	E256 W304	P254-E256 HydrophobicContact CB-CB 4.24Å; P254-E256 HydrophobicContact CB-CG 4.17Å; P254-E256 HydrophobicContact CG-CB 4.37Å; P254-E256 PolarHBondContact O-N 3.24Å; P254-E256 VanDerWaalsContact O-N 3.12Å; P254-W304 HydrophobicContact CB-CB 3.74Å; P254-W304 HydrophobicContact CB-CG 4.29Å
255	F	88.7	Confident	86.7	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-84.2	68.8	162.6	-76.4	-99.3	0	0	0	109	L251 M288 V289 V292 A300 C302 F306 D307 A310 L314 F345	L251-F255 HydrophobicContact CD1-CE2 4.09Å; L251-F255 HydrophobicContact CD1-CZ 4.31Å; F255-M288 HydrophobicContact CD1-CB 4.31Å; F255-M288 HydrophobicContact CE1-CB 4.38Å; F255-V289 HydrophobicContact CE1-CG2 4.14Å; F255-V292 HydrophobicContact CZ-CG2 4.14Å; F255-A300 HydrophobicContact CZ-CB 4.48Å; F255-C302 WeakPolarHBondContact CE2-SG 3.41Å; F255-F306 HydrophobicContact CB-CB 4.39Å; F255-F306 HydrophobicContact CB-CD1 3.83Å; F255-F306 HydrophobicContact CB-CG 4.45Å; F255-F306 AromaticContact CD2-CD1 3.36Å; F255-F306 HydrophobicContact CD2-CD1 3.36Å; F255-F306 AromaticContact CD2-CE1 3.3Å; F255-F306 HydrophobicContact CD2-CE1 3.3Å; F255-F306 HydrophobicContact CD2-CG 4.38Å; F255-F306 HydrophobicContact CD2-CZ 4.26Å; F255-F306 HydrophobicContact CE2-CD1 4.18Å; F255-F306 AromaticContact CE2-CE1 3.71Å; F255-F306 HydrophobicContact CE2-CE1 3.71Å; F255-F306 HydrophobicContact CE2-CZ 4.3Å; F255-F306 AromaticContact CG-CD1 3.93Å; F255-F306 HydrophobicContact CG-CD1 3.93Å; F255-F306 HydrophobicContact CG-CE1 4.28Å; F255-D307 PolarHBondContact O-N 2.84Å; F255-A310 HydrophobicContact CB-CB 3.91Å; F255-A310 HydrophobicContact CD1-CB 4.37Å; F255-L314 HydrophobicContact CD1-CD1 4.46Å; F255-L314 HydrophobicContact CE1-CD1 4.23Å; F255-L314 HydrophobicContact CE1-CD2 4.18Å; F255-L314 HydrophobicContact CZ-CD1 4.23Å; F255-L314 HydrophobicContact CZ-CD2 4.12Å; F255-F345 HydrophobicContact CD1-CE1 4.18Å; F255-F345 AromaticContact CD1-CZ 3.99Å; F255-F345 HydrophobicContact CD1-CZ 3.99Å; F255-F345 HydrophobicContact CD2-CE1 4.25Å; F255-F345 HydrophobicContact CD2-CZ 4Å; F255-F345 AromaticContact CE1-CE1 3.75Å; F255-F345 HydrophobicContact CE1-CE1 3.75Å; F255-F345 HydrophobicContact CE1-CZ 4.05Å; F255-F345 AromaticContact CE2-CE1 3.87Å; F255-F345 HydrophobicContact CE2-CE1 3.87Å; F255-F345 HydrophobicContact CE2-CZ 4.11Å; F255-F345 HydrophobicContact CG-CE1 4.44Å; F255-F345 AromaticContact CG-CZ 3.99Å; F255-F345 HydrophobicContact CG-CZ 3.99Å; F255-F345 AromaticContact CZ-CE1 3.62Å; F255-F345 HydrophobicContact CZ-CE1 3.62Å; F255-F345 HydrophobicContact CZ-CZ 4.14Å
256	E	87.4	Confident	86	Confident	65 Å²	65	76.2 Å²	76.2	30%	0.304	38%	0.384	S	S	.	.	S	Bend	trans	-131.9	152.2	175.3	-74.4	-178	-162.3	0	0	109.2	P254 K259 M288	P254-E256 HydrophobicContact CB-CB 4.24Å; P254-E256 HydrophobicContact CB-CG 4.17Å; P254-E256 HydrophobicContact CG-CB 4.37Å; P254-E256 PolarHBondContact O-N 3.24Å; P254-E256 VanDerWaalsContact O-N 3.12Å; E256-K259 VanDerWaalsContact OE2-CE 3.28Å; E256-K259 WeakPolarHBondContact OE2-CE 3.31Å; E256-K259 IonicContact OE2-NZ 3.91Å; E256-K259 PolarHBondContact OE2-NZ 3.3Å; E256-M288 VanDerWaalsContact O-CE 3.31Å; E256-M288 WeakPolarHBondContact O-CE 3.5Å
257	P	84.6	Confident	85.5	Confident	31 Å²	31	82.5 Å²	82.5	20%	0.201	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-56	139.9	171.1	-21.1	33.3	0	0	0	110.5	K259 E281 F285	P257-K259 PolarHBondContact O-N 2.85Å; P257-K259 VanDerWaalsContact O-N 3.17Å; P257-E281 HydrophobicContact CG-CG 4.02Å; P257-F285 HydrophobicContact CG-CE1 4.24Å; P257-F285 HydrophobicContact CG-CE2 4.47Å; P257-F285 HydrophobicContact CG-CZ 3.84Å
258	P	82.2	Confident	85	Confident	85 Å²	85	80.8 Å²	80.8	55%	0.552	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-62.5	121	-174.7	24.8	-33.3	0	0	0	111.1
259	K	79.3	Confident	84.7	Confident	166 Å²	166	88 Å²	88	72%	0.722	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-77.8	136.9	175.4	-66	175	-173	160.9	0	110.1	E256 P257	E256-K259 VanDerWaalsContact OE2-CE 3.28Å; E256-K259 WeakPolarHBondContact OE2-CE 3.31Å; E256-K259 IonicContact OE2-NZ 3.91Å; E256-K259 PolarHBondContact OE2-NZ 3.3Å; P257-K259 PolarHBondContact O-N 2.85Å; P257-K259 VanDerWaalsContact O-N 3.17Å
260	T	79.3	Confident	84.4	Confident	95 Å²	95	90.9 Å²	90.9	58%	0.583	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-64.9	146.3	171.8	47.9	0	0	0	0	110.1	T262 T264	T260-T262 PolarHBondContact O-N 3.35Å; T260-T262 PolarHBondContact OG1-O 3.31Å; T260-T264 PolarHBondContact OG1-OG1 3.44Å; T260-T264 VanDerWaalsContact OG1-OG1 3.1Å
261	K	78.2	Confident	84.2	Confident	220 Å²	220	95.9 Å²	95.9	96%	0.957	50%	0.499	S	S	*	.	S	Bend	trans	-61.3	-29.5	177.7	-71.3	-171.1	177.6	-176.4	0	112.3
262	T	83.5	Confident	83.9	Confident	105 Å²	105	102.4 Å²	102.4	64%	0.644	53%	0.53	S	S	*	.	S	Bend	trans	-93	133.4	177.3	-47.6	0	0	0	0	109.6	T260 T264	T260-T262 PolarHBondContact O-N 3.35Å; T260-T262 PolarHBondContact OG1-O 3.31Å; T262-T264 PolarHBondContact O-N 3.4Å; T262-T264 PolarHBondContact O-OG1 3.12Å
263	K	76.5	Confident	83.7	Confident	212 Å²	212	103.8 Å²	103.8	92%	0.922	54%	0.536	S	S	*	.			trans	-57.5	99.2	170.8	-72.1	-173.6	178.2	-178.9	0	109.3
264	T	77.5	Confident	83.6	Confident	86 Å²	86	109.8 Å²	109.8	53%	0.528	56%	0.557	S	S	.	*			trans	-105.8	127.4	179.2	-47.8	0	0	0	0	106.9	T260 T262	T260-T264 PolarHBondContact OG1-OG1 3.44Å; T260-T264 VanDerWaalsContact OG1-OG1 3.1Å; T262-T264 PolarHBondContact O-N 3.4Å; T262-T264 PolarHBondContact O-OG1 3.12Å
265	K	76.8	Confident	83.6	Confident	189 Å²	189	114.3 Å²	114.3	82%	0.822	57%	0.573	S	S	*	*			trans	-88.1	126.9	166.5	-68.2	-174.2	178.1	-175.6	0	107.2
266	L	75.5	Confident	83.6	Confident	137 Å²	137	120 Å²	120	72%	0.717	60%	0.597	S	S	*	*			trans	-97.9	107.6	171.6	-80.7	153.6	0	0	0	106.3
267	D	82	Confident	83.5	Confident	133 Å²	133	119.2 Å²	119.2	71%	0.711	60%	0.595	S	S	*	*			trans	-89	122.8	171.7	-65.4	-37.4	0	0	0	107.8
268	I	84.4	Confident	83.6	Confident	74 Å²	74	120.2 Å²	120.2	38%	0.379	60%	0.601	S	S	.	*			trans	-105.7	97.5	-177.9	-53.9	172.1	0	0	0	107.7	D273 Y274 L277	I268-D273 HydrophobicContact CG2-CB 4.34Å; I268-Y274 HydrophobicContact CD1-CD2 4.17Å; I268-Y274 HydrophobicContact CG2-CD2 4.39Å; I268-L277 HydrophobicContact CD1-CD2 3.49Å; I268-L277 VanDerWaalsContact CD1-CD2 3.49Å; I268-L277 HydrophobicContact CG1-CD2 4.45Å
269	D	86.2	Confident	84	Confident	150 Å²	150	120.4 Å²	120.4	80%	0.802	59%	0.594	S	S	*	*			trans	-87.4	-25.6	-176.5	-66.3	-38	0	0	0	113.2
270	T	88.9	Confident	84.5	Confident	61 Å²	61	118.3 Å²	118.3	37%	0.374	58%	0.583	S	S	.	*	S	Bend	trans	-120.8	149.5	-173.5	78.9	0	0	0	0	113	E272 D273 Y274	T270-E272 PolarHBondContact O-N 2.82Å; T270-D273 PolarHBondContact O-N 3.24Å; T270-D273 WeakPolarHBondContact OG1-CB 3.44Å; T270-D273 PolarHBondContact OG1-N 3.48Å; T270-D273 VanDerWaalsContact OG1-N 3.1Å; T270-D273 PolarHBondContact OG1-OD2 3.36Å; T270-Y274 PolarHBondContact O-N 2.89Å; T270-Y274 VanDerWaalsContact O-N 3.16Å
271	V	90.2	Very high	84.9	Confident	109 Å²	109	116.8 Å²	116.8	66%	0.661	57%	0.569	S	S	*	*	H	α-helix	trans	-62.4	-30.6	174.3	180	0	0	0	0	111.4	K275	V271-K275 WeakPolarHBondContact O-CG 3.27Å; V271-K275 PolarHBondContact O-N 2.96Å; V271-K275 VanDerWaalsContact O-N 3.11Å
272	E	88.7	Confident	85.4	Confident	137 Å²	137	111.7 Å²	111.7	64%	0.64	54%	0.544	S	S	*	.	H	α-helix	trans	-69	-41.8	177.9	-66	177.6	-177.1	0	0	111.8	T270 Y274 K275 K276	T270-E272 PolarHBondContact O-N 2.82Å; E272-Y274 VanDerWaalsContact C-N 3.33Å; E272-K275 PolarHBondContact O-N 3.37Å; E272-K276 WeakPolarHBondContact O-CG 3.33Å; E272-K276 PolarHBondContact O-N 3.21Å
273	D	88.1	Confident	85.8	Confident	66 Å²	66	111.5 Å²	111.5	35%	0.353	53%	0.534	S	S	.	.	H	α-helix	trans	-68.7	-35.3	177.5	-61.9	-32.9	0	0	0	111.5	I268 T270 K276 L277	I268-D273 HydrophobicContact CG2-CB 4.34Å; T270-D273 PolarHBondContact O-N 3.24Å; T270-D273 WeakPolarHBondContact OG1-CB 3.44Å; T270-D273 PolarHBondContact OG1-N 3.48Å; T270-D273 VanDerWaalsContact OG1-N 3.1Å; T270-D273 PolarHBondContact OG1-OD2 3.36Å; D273-K276 PolarHBondContact O-N 3.21Å; D273-K276 IonicContact OD1-NZ 3.22Å; D273-K276 PolarHBondContact OD1-NZ 2.97Å; D273-L277 WeakPolarHBondContact O-CB 3.37Å; D273-L277 PolarHBondContact O-N 3.01Å
274	Y	86.9	Confident	86.4	Confident	140 Å²	140	102.4 Å²	102.4	55%	0.549	50%	0.496	S	S	.	.	H	α-helix	trans	-58.5	-47.5	169.9	-172.3	-93	0	0	0	111.7	I268 T270 E272 K276 L277 T278	I268-Y274 HydrophobicContact CD1-CD2 4.17Å; I268-Y274 HydrophobicContact CG2-CD2 4.39Å; T270-Y274 PolarHBondContact O-N 2.89Å; T270-Y274 VanDerWaalsContact O-N 3.16Å; E272-Y274 VanDerWaalsContact C-N 3.33Å; Y274-K276 PolarHBondContact O-N 2.86Å; Y274-L277 WeakPolarHBondContact O-CB 3.45Å; Y274-L277 PolarHBondContact O-N 2.98Å; Y274-T278 PolarHBondContact O-N 3.1Å; Y274-T278 PolarHBondContact O-OG1 3.21Å
275	K	89.8	Confident	87.1	Confident	139 Å²	139	98.4 Å²	98.4	60%	0.604	47%	0.471	S	S	*	.	H	α-helix	trans	-62.7	-41.4	177.5	-74.4	178.8	-179.8	178.6	0	112.6	V271 E272 L277 T278 E279	V271-K275 WeakPolarHBondContact O-CG 3.27Å; V271-K275 PolarHBondContact O-N 2.96Å; V271-K275 VanDerWaalsContact O-N 3.11Å; E272-K275 PolarHBondContact O-N 3.37Å; K275-L277 VanDerWaalsContact C-N 3.3Å; K275-L277 PolarHBondContact O-N 2.66Å; K275-T278 PolarHBondContact O-N 3.5Å; K275-E279 WeakPolarHBondContact O-CB 3.2Å; K275-E279 PolarHBondContact O-N 2.97Å
276	K	88.9	Confident	87.7	Confident	119 Å²	119	92.4 Å²	92.4	52%	0.517	45%	0.446	S	S	.	.	H	α-helix	trans	-62	-39.7	175.5	-69.7	171.8	-158.3	152.9	0	111.3	E272 D273 Y274 E279 Y280	E272-K276 WeakPolarHBondContact O-CG 3.33Å; E272-K276 PolarHBondContact O-N 3.21Å; D273-K276 PolarHBondContact O-N 3.21Å; D273-K276 IonicContact OD1-NZ 3.22Å; D273-K276 PolarHBondContact OD1-NZ 2.97Å; Y274-K276 PolarHBondContact O-N 2.86Å; K276-E279 PolarHBondContact O-N 3.38Å; K276-Y280 VanDerWaalsContact O-CB 3.31Å; K276-Y280 WeakPolarHBondContact O-CB 3.38Å; K276-Y280 PolarHBondContact O-N 2.95Å
277	L	86.9	Confident	88.5	Confident	49 Å²	49	89.5 Å²	89.5	26%	0.257	43%	0.434	S	S	.	.	H	α-helix	trans	-64.6	-49.9	177	-175.8	65.9	0	0	0	111.2	I268 D273 Y274 K275 E279 Y280 E281	I268-L277 HydrophobicContact CD1-CD2 3.49Å; I268-L277 VanDerWaalsContact CD1-CD2 3.49Å; I268-L277 HydrophobicContact CG1-CD2 4.45Å; D273-L277 WeakPolarHBondContact O-CB 3.37Å; D273-L277 PolarHBondContact O-N 3.01Å; Y274-L277 WeakPolarHBondContact O-CB 3.45Å; Y274-L277 PolarHBondContact O-N 2.98Å; K275-L277 VanDerWaalsContact C-N 3.3Å; K275-L277 PolarHBondContact O-N 2.66Å; L277-E279 VanDerWaalsContact C-N 3.31Å; L277-E279 PolarHBondContact O-N 2.89Å; L277-Y280 WeakPolarHBondContact O-CB 3.44Å; L277-Y280 PolarHBondContact O-N 2.91Å; L277-Y280 VanDerWaalsContact O-N 3.12Å; L277-E281 WeakPolarHBondContact O-CG 3.44Å; L277-E281 PolarHBondContact O-N 2.78Å
278	T	86.7	Confident	88.9	Confident	53 Å²	53	84.1 Å²	84.1	33%	0.325	41%	0.405	S	S	.	.	H	α-helix	trans	-59.4	-41.4	176.1	-54.3	0	0	0	0	111.9	Y274 K275 Y280 E281 R282	Y274-T278 PolarHBondContact O-N 3.1Å; Y274-T278 PolarHBondContact O-OG1 3.21Å; K275-T278 PolarHBondContact O-N 3.5Å; T278-Y280 VanDerWaalsContact C-N 3.33Å; T278-Y280 PolarHBondContact O-N 3.06Å; T278-E281 PolarHBondContact O-N 3.31Å; T278-R282 WeakPolarHBondContact O-CB 3.18Å; T278-R282 PolarHBondContact O-N 2.92Å
279	E	90	Very high	89.2	Confident	88 Å²	88	80.6 Å²	80.6	41%	0.411	39%	0.387	S	S	.	.	H	α-helix	trans	-66.1	-37	177	-169.3	-179	173.1	0	0	112	K275 K276 L277 K283	K275-E279 WeakPolarHBondContact O-CB 3.2Å; K275-E279 PolarHBondContact O-N 2.97Å; K276-E279 PolarHBondContact O-N 3.38Å; L277-E279 VanDerWaalsContact C-N 3.31Å; L277-E279 PolarHBondContact O-N 2.89Å; E279-K283 HydrophobicContact CG-CD 4.32Å; E279-K283 WeakPolarHBondContact O-CB 3.23Å; E279-K283 VanDerWaalsContact O-CG 3.29Å; E279-K283 WeakPolarHBondContact O-CG 3.39Å; E279-K283 PolarHBondContact O-N 2.74Å; E279-K283 WeakPolarHBondContact OE1-CE 3.34Å; E279-K283 IonicContact OE1-NZ 2.65Å; E279-K283 PolarHBondContact OE1-NZ 3.19Å
280	Y	89.5	Confident	89.4	Confident	122 Å²	122	77.3 Å²	77.3	48%	0.478	37%	0.369	S	S	.	.	H	α-helix	trans	-64.9	-45.1	173.8	170.3	-97.6	0	0	0	112	K276 L277 T278 K283 T284	K276-Y280 VanDerWaalsContact O-CB 3.31Å; K276-Y280 WeakPolarHBondContact O-CB 3.38Å; K276-Y280 PolarHBondContact O-N 2.95Å; L277-Y280 WeakPolarHBondContact O-CB 3.44Å; L277-Y280 PolarHBondContact O-N 2.91Å; L277-Y280 VanDerWaalsContact O-N 3.12Å; T278-Y280 VanDerWaalsContact C-N 3.33Å; T278-Y280 PolarHBondContact O-N 3.06Å; Y280-K283 PolarHBondContact O-N 2.84Å; Y280-T284 VanDerWaalsContact O-CB 3.31Å; Y280-T284 WeakPolarHBondContact O-CB 3.49Å; Y280-T284 PolarHBondContact O-N 3.47Å; Y280-T284 PolarHBondContact O-OG1 2.85Å
281	E	88.2	Confident	89.5	Confident	64 Å²	64	76.7 Å²	76.7	30%	0.299	36%	0.362	S	S	.	.	H	α-helix	trans	-59.7	-51.8	176.6	-72.1	174.7	153.4	0	0	110.7	P257 L277 T278 K283 T284 F285	P257-E281 HydrophobicContact CG-CG 4.02Å; L277-E281 WeakPolarHBondContact O-CG 3.44Å; L277-E281 PolarHBondContact O-N 2.78Å; T278-E281 PolarHBondContact O-N 3.31Å; E281-K283 PolarHBondContact O-N 2.67Å; E281-T284 WeakPolarHBondContact O-CA 3.4Å; E281-T284 WeakPolarHBondContact O-CB 3.43Å; E281-T284 PolarHBondContact O-N 2.67Å; E281-T284 VanDerWaalsContact O-N 3.07Å; E281-F285 HydrophobicContact CB-CE2 4.24Å; E281-F285 WeakPolarHBondContact O-CD2 3.23Å; E281-F285 WeakPolarHBondContact O-CG 2.79Å; E281-F285 PolarHBondContact O-N 2.65Å
282	R	88.5	Confident	89.5	Confident	113 Å²	113	71.5 Å²	71.5	43%	0.426	33%	0.331	S	S	.	.	H	α-helix	trans	-57.1	-47.8	177.3	-171.9	-176.9	71.8	166.6	2.6	112.5	T278 T284 F285 E286 E309	T278-R282 WeakPolarHBondContact O-CB 3.18Å; T278-R282 PolarHBondContact O-N 2.92Å; R282-T284 VanDerWaalsContact C-N 3.28Å; R282-T284 PolarHBondContact O-N 2.85Å; R282-F285 PolarHBondContact O-N 2.9Å; R282-E286 IonicContact NE-OE1 2.67Å; R282-E286 WeakPolarHBondContact O-CB 3.38Å; R282-E286 WeakPolarHBondContact O-CG 3.28Å; R282-E286 PolarHBondContact O-N 3.01Å; R282-E309 WeakPolarHBondContact CB-OE1 3.39Å; R282-E309 VanDerWaalsContact CG-OE1 3.31Å; R282-E309 WeakPolarHBondContact CG-OE1 3.41Å
283	K	91.6	Very high	89.5	Confident	101 Å²	101	69.7 Å²	69.7	44%	0.439	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-36.8	176.9	-78.3	175.7	-175.8	165.9	0	112.1	E279 Y280 E281 T287	E279-K283 HydrophobicContact CG-CD 4.32Å; E279-K283 WeakPolarHBondContact O-CB 3.23Å; E279-K283 VanDerWaalsContact O-CG 3.29Å; E279-K283 WeakPolarHBondContact O-CG 3.39Å; E279-K283 PolarHBondContact O-N 2.74Å; E279-K283 WeakPolarHBondContact OE1-CE 3.34Å; E279-K283 IonicContact OE1-NZ 2.65Å; E279-K283 PolarHBondContact OE1-NZ 3.19Å; Y280-K283 PolarHBondContact O-N 2.84Å; E281-K283 PolarHBondContact O-N 2.67Å; K283-T287 WeakPolarHBondContact O-CB 3.1Å; K283-T287 PolarHBondContact O-N 2.83Å; K283-T287 PolarHBondContact O-OG1 3.23Å
284	T	89.9	Confident	89.6	Confident	20 Å²	20	71.2 Å²	71.2	12%	0.123	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-47.1	177.4	-61.1	0	0	0	0	110.4	Y280 E281 R282 T287 M288	Y280-T284 VanDerWaalsContact O-CB 3.31Å; Y280-T284 WeakPolarHBondContact O-CB 3.49Å; Y280-T284 PolarHBondContact O-N 3.47Å; Y280-T284 PolarHBondContact O-OG1 2.85Å; E281-T284 WeakPolarHBondContact O-CA 3.4Å; E281-T284 WeakPolarHBondContact O-CB 3.43Å; E281-T284 PolarHBondContact O-N 2.67Å; E281-T284 VanDerWaalsContact O-N 3.07Å; R282-T284 VanDerWaalsContact C-N 3.28Å; R282-T284 PolarHBondContact O-N 2.85Å; T284-T287 PolarHBondContact O-N 3.22Å; T284-M288 HydrophobicContact CG2-CE 3.48Å; T284-M288 VanDerWaalsContact CG2-CE 3.48Å; T284-M288 HydrophobicContact CG2-SD 4.26Å; T284-M288 WeakPolarHBondContact O-CG 3.45Å; T284-M288 PolarHBondContact O-N 3.42Å
285	F	90.9	Very high	89.6	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-44.7	175.6	-64.5	-50.4	0	0	0	112.5	P257 E281 R282 T287 M288 V289 D307 E309 A310 L313	P257-F285 HydrophobicContact CG-CE1 4.24Å; P257-F285 HydrophobicContact CG-CE2 4.47Å; P257-F285 HydrophobicContact CG-CZ 3.84Å; E281-F285 HydrophobicContact CB-CE2 4.24Å; E281-F285 WeakPolarHBondContact O-CD2 3.23Å; E281-F285 WeakPolarHBondContact O-CG 2.79Å; E281-F285 PolarHBondContact O-N 2.65Å; R282-F285 PolarHBondContact O-N 2.9Å; F285-T287 VanDerWaalsContact C-N 3.28Å; F285-T287 PolarHBondContact O-N 2.88Å; F285-M288 HydrophobicContact CD1-SD 4.35Å; F285-M288 PolarHBondContact O-N 2.9Å; F285-V289 VanDerWaalsContact O-CG2 3.31Å; F285-V289 WeakPolarHBondContact O-CG2 3.18Å; F285-V289 PolarHBondContact O-N 2.85Å; F285-D307 HydrophobicContact CE1-CB 3.83Å; F285-D307 HydrophobicContact CE2-CB 4.32Å; F285-D307 HydrophobicContact CZ-CB 3.49Å; F285-D307 VanDerWaalsContact CZ-CB 3.49Å; F285-E309 HydrophobicContact CD2-CB 4.17Å; F285-E309 HydrophobicContact CD2-CG 4.18Å; F285-E309 HydrophobicContact CE2-CB 4.15Å; F285-A310 HydrophobicContact CB-CB 4.48Å; F285-A310 HydrophobicContact CD1-CB 3.64Å; F285-A310 HydrophobicContact CE1-CB 3.93Å; F285-A310 HydrophobicContact CG-CB 4.08Å; F285-L313 HydrophobicContact CB-CD1 3.67Å
286	E	90.8	Very high	89.5	Confident	64 Å²	64	60.6 Å²	60.6	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-54.9	-46.2	175.3	-78.7	175.3	179.5	0	0	111.4	R282 V289 D290 L313 K317	R282-E286 IonicContact NE-OE1 2.67Å; R282-E286 WeakPolarHBondContact O-CB 3.38Å; R282-E286 WeakPolarHBondContact O-CG 3.28Å; R282-E286 PolarHBondContact O-N 3.01Å; E286-V289 PolarHBondContact O-N 3.25Å; E286-D290 WeakPolarHBondContact O-CB 3.48Å; E286-D290 PolarHBondContact O-N 2.74Å; E286-D290 VanDerWaalsContact O-OD2 3.12Å; E286-L313 HydrophobicContact CG-CD1 4.19Å; E286-L313 HydrophobicContact CG-CD2 4.4Å; E286-K317 PolarHBondContact O-NZ 3.26Å
287	T	91.3	Very high	89.5	Confident	75 Å²	75	55.2 Å²	55.2	46%	0.46	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-46.8	177.4	-56.5	0	0	0	0	111.6	K283 T284 F285 D290 Q291	K283-T287 WeakPolarHBondContact O-CB 3.1Å; K283-T287 PolarHBondContact O-N 2.83Å; K283-T287 PolarHBondContact O-OG1 3.23Å; T284-T287 PolarHBondContact O-N 3.22Å; F285-T287 VanDerWaalsContact C-N 3.28Å; F285-T287 PolarHBondContact O-N 2.88Å; T287-D290 PolarHBondContact O-N 3.43Å; T287-Q291 VanDerWaalsContact O-CG 3.25Å; T287-Q291 WeakPolarHBondContact O-CG 3.45Å; T287-Q291 PolarHBondContact O-N 2.92Å
288	M	91.1	Very high	89.7	Confident	21 Å²	21	54.9 Å²	54.9	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-46.7	178.2	-70.3	170.7	179.6	0	0	111.6	F255 E256 T284 F285 Q291 V292 F345	F255-M288 HydrophobicContact CD1-CB 4.31Å; F255-M288 HydrophobicContact CE1-CB 4.38Å; E256-M288 VanDerWaalsContact O-CE 3.31Å; E256-M288 WeakPolarHBondContact O-CE 3.5Å; T284-M288 HydrophobicContact CG2-CE 3.48Å; T284-M288 VanDerWaalsContact CG2-CE 3.48Å; T284-M288 HydrophobicContact CG2-SD 4.26Å; T284-M288 WeakPolarHBondContact O-CG 3.45Å; T284-M288 PolarHBondContact O-N 3.42Å; F285-M288 HydrophobicContact CD1-SD 4.35Å; F285-M288 PolarHBondContact O-N 2.9Å; M288-Q291 PolarHBondContact O-N 3.24Å; M288-V292 WeakPolarHBondContact O-CG2 3.33Å; M288-V292 PolarHBondContact O-N 3.03Å; M288-F345 HydrophobicContact CB-CD2 4.35Å; M288-F345 HydrophobicContact CB-CE1 4.5Å; M288-F345 HydrophobicContact CB-CE2 4.32Å; M288-F345 HydrophobicContact CB-CG 4.46Å; M288-F345 HydrophobicContact CB-CZ 4.4Å; M288-F345 HydrophobicContact CE-CE2 4.29Å; M288-F345 HydrophobicContact CG-CD2 3.85Å; M288-F345 HydrophobicContact CG-CE2 3.88Å; M288-F345 HydrophobicContact CG-CG 4.37Å; M288-F345 HydrophobicContact CG-CZ 4.42Å; M288-F345 HydrophobicContact SD-CD2 4.38Å; M288-F345 HydrophobicContact SD-CE2 3.86Å; M288-F345 HydrophobicContact SD-CZ 4.38Å
289	V	90.6	Very high	90	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-38.4	-179.9	-176.5	0	0	0	0	111.1	F255 F285 E286 Q291 V292 K293 L313 L314 K317 L319	F255-V289 HydrophobicContact CE1-CG2 4.14Å; F285-V289 VanDerWaalsContact O-CG2 3.31Å; F285-V289 WeakPolarHBondContact O-CG2 3.18Å; F285-V289 PolarHBondContact O-N 2.85Å; E286-V289 PolarHBondContact O-N 3.25Å; V289-Q291 VanDerWaalsContact C-N 3.34Å; V289-V292 PolarHBondContact O-N 3.04Å; V289-K293 WeakPolarHBondContact O-CB 3.25Å; V289-K293 PolarHBondContact O-N 2.84Å; V289-L313 HydrophobicContact CG2-CB 4.24Å; V289-L314 HydrophobicContact CG1-CD2 3.95Å; V289-L314 HydrophobicContact CG1-CG 4.39Å; V289-L314 HydrophobicContact CG2-CD2 4.11Å; V289-L314 HydrophobicContact CG2-CG 4.03Å; V289-K317 HydrophobicContact CB-CD 4.43Å; V289-K317 HydrophobicContact CG1-CB 4.23Å; V289-K317 HydrophobicContact CG1-CD 3.69Å; V289-K317 HydrophobicContact CG1-CG 4.28Å; V289-L319 HydrophobicContact CG1-CD1 3.8Å
290	D	91	Very high	90.1	Very high	80 Å²	80	48.1 Å²	48.1	43%	0.428	25%	0.25	S	S	.	.	H	α-helix	trans	-64.3	-38.6	175.3	-80.4	-34.6	0	0	0	112.3	E286 T287 V292 K293 S294 K317	E286-D290 WeakPolarHBondContact O-CB 3.48Å; E286-D290 PolarHBondContact O-N 2.74Å; E286-D290 VanDerWaalsContact O-OD2 3.12Å; T287-D290 PolarHBondContact O-N 3.43Å; D290-V292 PolarHBondContact O-N 2.67Å; D290-K293 PolarHBondContact O-N 3.01Å; D290-S294 WeakPolarHBondContact O-CB 3.39Å; D290-S294 PolarHBondContact O-N 3.18Å; D290-S294 PolarHBondContact O-OG 2.88Å; D290-K317 IonicContact OD1-NZ 2.8Å; D290-K317 PolarHBondContact OD1-NZ 3.45Å; D290-K317 IonicContact OD2-NZ 2.97Å; D290-K317 PolarHBondContact OD2-NZ 2.86Å
291	Q	90.3	Very high	90.4	Very high	48 Å²	48	42.5 Å²	42.5	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-48.1	173.9	-74.6	173.3	-14.2	0	0	110.8	T287 M288 V289 K293 S294 C295 F345 N346	T287-Q291 VanDerWaalsContact O-CG 3.25Å; T287-Q291 WeakPolarHBondContact O-CG 3.45Å; T287-Q291 PolarHBondContact O-N 2.92Å; M288-Q291 PolarHBondContact O-N 3.24Å; V289-Q291 VanDerWaalsContact C-N 3.34Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.24Å; Q291-S294 PolarHBondContact O-N 3.12Å; Q291-S294 PolarHBondContact O-OG 2.85Å; Q291-C295 PolarHBondContact O-N 3.25Å; Q291-C295 PolarHBondContact O-SG 2.81Å; Q291-F345 HydrophobicContact CB-CB 4.37Å; Q291-N346 PolarHBondContact NE2-OD1 2.8Å; Q291-N346 PolarHBondContact OE1-OD1 2.92Å
292	V	90.2	Very high	90.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-43.5	176.9	177.7	0	0	0	0	112.1	L251 F255 M288 V289 D290 A300 L319 F345 L348	L251-V292 HydrophobicContact CD1-CG2 4.31Å; F255-V292 HydrophobicContact CZ-CG2 4.14Å; M288-V292 WeakPolarHBondContact O-CG2 3.33Å; M288-V292 PolarHBondContact O-N 3.03Å; V289-V292 PolarHBondContact O-N 3.04Å; D290-V292 PolarHBondContact O-N 2.67Å; V292-A300 HydrophobicContact CG1-CB 4.25Å; V292-L319 HydrophobicContact CB-CD1 4.27Å; V292-L319 HydrophobicContact CG1-CD1 4Å; V292-F345 HydrophobicContact CG2-CD1 3.84Å; V292-F345 HydrophobicContact CG2-CE1 4.12Å; V292-L348 HydrophobicContact CB-CD2 4.3Å; V292-L348 HydrophobicContact CG1-CD2 4.46Å; V292-L348 HydrophobicContact CG2-CD2 4.09Å
293	K	89.2	Confident	90.9	Very high	99 Å²	99	36.9 Å²	36.9	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-68	-40.6	179	-167.8	162.3	178.3	168	0	112.6	V289 D290 Q291 C295 G296 K317 L319	V289-K293 WeakPolarHBondContact O-CB 3.25Å; V289-K293 PolarHBondContact O-N 2.84Å; D290-K293 PolarHBondContact O-N 3.01Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.24Å; K293-C295 VanDerWaalsContact C-N 3.25Å; K293-C295 PolarHBondContact O-N 2.8Å; K293-G296 WeakPolarHBondContact O-CA 3.14Å; K293-G296 PolarHBondContact O-N 3.24Å; K293-K317 HydrophobicContact CD-CB 4.1Å; K293-K317 HydrophobicContact CD-CD 4.39Å; K293-K317 PolarHBondContact NZ-O 3.48Å; K293-L319 HydrophobicContact CB-CD1 3.94Å
294	S	89.5	Confident	90.9	Very high	98 Å²	98	37.8 Å²	37.8	69%	0.685	21%	0.207	S	C	*	.	H	α-helix	trans	-62.9	-31.7	-178.1	72.5	0	0	0	0	112.6	D290 Q291 G296	D290-S294 WeakPolarHBondContact O-CB 3.39Å; D290-S294 PolarHBondContact O-N 3.18Å; D290-S294 PolarHBondContact O-OG 2.88Å; Q291-S294 PolarHBondContact O-N 3.12Å; Q291-S294 PolarHBondContact O-OG 2.85Å; S294-G296 PolarHBondContact O-N 2.96Å
295	C	87.6	Confident	90.7	Very high	19 Å²	19	37 Å²	37	13%	0.128	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.6	173.7	-58.5	0	0	0	0	113.2	Q291 K293 L348 L353	Q291-C295 PolarHBondContact O-N 3.25Å; Q291-C295 PolarHBondContact O-SG 2.81Å; K293-C295 VanDerWaalsContact C-N 3.25Å; K293-C295 PolarHBondContact O-N 2.8Å; C295-L348 HydrophobicContact CB-CD2 3.95Å; C295-L348 HydrophobicContact CB-CG 4Å; C295-L348 WeakPolarHBondContact SG-CG 3.1Å; C295-L348 PolarHBondContact SG-O 2.79Å; C295-L353 HydrophobicContact CB-CD1 4.39Å; C295-L353 WeakPolarHBondContact O-CD1 3.44Å
296	G	87.7	Confident	90.6	Very high	37 Å²	37	37.5 Å²	37.5	38%	0.381	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	24.6	-177.4	0	0	0	0	0	114	K247 K293 S294	K247-G296 VanDerWaalsContact CD-O 3.3Å; K247-G296 WeakPolarHBondContact CD-O 3.33Å; K293-G296 WeakPolarHBondContact O-CA 3.14Å; K293-G296 PolarHBondContact O-N 3.24Å; S294-G296 PolarHBondContact O-N 2.96Å
297	S	88.7	Confident	90.5	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.042	21%	0.208	C	C	.	.			trans	-73.1	142.8	171.2	-176.7	0	0	0	0	110.5	K247 A249 L299 L319	K247-S297 CarbonylContact O-C 3.3Å; K247-S297 WeakPolarHBondContact O-CA 3.35Å; K247-S297 PolarHBondContact O-OG 2.84Å; A249-S297 WeakPolarHBondContact CB-OG 3.41Å; A249-S297 PolarHBondContact N-OG 3.17Å; S297-L299 PolarHBondContact OG-N 3.1Å; S297-L299 PolarHBondContact OG-O 2.82Å; S297-L299 VanDerWaalsContact OG-O 3.07Å; S297-L319 WeakPolarHBondContact O-CD2 3.41Å
298	S	89.9	Confident	90.3	Very high	42 Å²	42	39.7 Å²	39.7	29%	0.294	22%	0.216	S	C	.	.	S	Bend	trans	-105.3	-16.2	171.9	52.7	0	0	0	0	113.2	V246 K247 N320	V246-S298 WeakPolarHBondContact CA-OG 3.48Å; V246-S298 VanDerWaalsContact CG1-OG 3.28Å; V246-S298 WeakPolarHBondContact CG1-OG 3.38Å; K247-S298 PolarHBondContact N-OG 3.41Å; K247-S298 PolarHBondContact O-N 3Å; S298-N320 PolarHBondContact O-N 3.19Å
299	L	93.2	Very high	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	121.9	179.5	176.4	57	0	0	0	111	F234 L243 V246 K247 L248 A249 S297 L301 N320 V322 V359	F234-L299 HydrophobicContact CD1-CD1 4.41Å; F234-L299 HydrophobicContact CE1-CD1 3.87Å; L243-L299 HydrophobicContact CD1-CB 4.47Å; V246-L299 HydrophobicContact CG1-CB 3.5Å; V246-L299 VanDerWaalsContact CG1-CB 3.5Å; V246-L299 HydrophobicContact CG1-CD2 4.07Å; V246-L299 HydrophobicContact CG1-CG 4.45Å; K247-L299 PolarHBondContact O-N 3.39Å; L248-L299 CarbonylContact C-O 3.46Å; L248-L299 WeakPolarHBondContact CA-O 3.23Å; L248-L299 HydrophobicContact CD2-CD2 3.8Å; L248-L299 HydrophobicContact CD2-CG 4.46Å; L248-L299 HydrophobicContact CG-CD2 4.34Å; A249-L299 PolarHBondContact N-O 2.9Å; S297-L299 PolarHBondContact OG-N 3.1Å; S297-L299 PolarHBondContact OG-O 2.82Å; S297-L299 VanDerWaalsContact OG-O 3.07Å; L299-L301 HydrophobicContact CD1-CD2 4.19Å; L299-L301 HydrophobicContact CD2-CD2 4.04Å; L299-L301 HydrophobicContact CD2-CG 4.5Å; L299-L301 HydrophobicContact CG-CD2 3.95Å; L299-L301 HydrophobicContact CG-CG 4.25Å; L299-N320 CarbonylContact C-O 3.59Å; L299-N320 WeakPolarHBondContact CA-O 3.48Å; L299-N320 HydrophobicContact CD1-CB 3.75Å; L299-N320 WeakPolarHBondContact CD1-O 3.42Å; L299-V322 HydrophobicContact CD1-CG2 4.15Å; L299-V359 HydrophobicContact CD2-CB 4.38Å; L299-V359 HydrophobicContact CD2-CG1 3.87Å; L299-V359 HydrophobicContact CD2-CG2 4.1Å
300	A	93.1	Very high	90.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.5	173.4	0	0	0	0	0	111.1	L251 F255 V292 N320 A321 V322	L251-A300 HydrophobicContact CD1-CB 4.41Å; F255-A300 HydrophobicContact CZ-CB 4.48Å; V292-A300 HydrophobicContact CG1-CB 4.25Å; A300-N320 PolarHBondContact N-O 2.9Å; A300-A321 HydrophobicContact CB-CB 4.2Å; A300-A321 CarbonylContact O-C 3.5Å; A300-A321 WeakPolarHBondContact O-CA 3.19Å; A300-V322 PolarHBondContact O-N 3.29Å
301	L	94.5	Very high	90	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.1	176.7	-66.4	-174	0	0	0	108.9	L248 A249 L251 L299 V322 I325 I333 L372 I374	L248-L301 HydrophobicContact CD2-CD1 3.68Å; L248-L301 HydrophobicContact CD2-CG 4.32Å; A249-L301 PolarHBondContact O-N 3.28Å; L251-L301 PolarHBondContact N-O 3.32Å; L299-L301 HydrophobicContact CD1-CD2 4.19Å; L299-L301 HydrophobicContact CD2-CD2 4.04Å; L299-L301 HydrophobicContact CD2-CG 4.5Å; L299-L301 HydrophobicContact CG-CD2 3.95Å; L299-L301 HydrophobicContact CG-CG 4.25Å; L301-V322 HydrophobicContact CD2-CB 3.7Å; L301-V322 HydrophobicContact CD2-CG1 4.48Å; L301-V322 HydrophobicContact CD2-CG2 3.74Å; L301-I325 HydrophobicContact CB-CD1 3.46Å; L301-I325 VanDerWaalsContact CB-CD1 3.46Å; L301-I325 HydrophobicContact CD1-CD1 4.45Å; L301-I325 HydrophobicContact CD2-CD1 3.74Å; L301-I325 HydrophobicContact CG-CD1 4.06Å; L301-I333 HydrophobicContact CD1-CD1 4.05Å; L301-I333 HydrophobicContact CD1-CG2 3.69Å; L301-L372 HydrophobicContact CD2-CD2 4.36Å; L301-I374 HydrophobicContact CD1-CD1 3.92Å
302	C	93.6	Very high	90.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.5	-176.6	-64.5	0	0	0	0	112.9	L251 F255 W304 F306 V322 W324 I325	L251-C302 WeakPolarHBondContact O-CA 3.24Å; F255-C302 WeakPolarHBondContact CE2-SG 3.41Å; C302-W304 VanDerWaalsContact C-N 3.26Å; C302-W304 PolarHBondContact O-N 3.26Å; C302-F306 HydrophobicContact CB-CE1 3.4Å; C302-F306 VanDerWaalsContact CB-CE1 3.4Å; C302-F306 HydrophobicContact CB-CZ 3.82Å; C302-F306 WeakPolarHBondContact SG-CE1 3.32Å; C302-V322 PolarHBondContact N-O 2.77Å; C302-W324 PolarHBondContact O-N 3.46Å; C302-I325 WeakPolarHBondContact O-CG1 3.17Å; C302-I325 PolarHBondContact O-N 3.16Å; C302-I325 VanDerWaalsContact O-N 3.08Å
303	Q	93.4	Very high	90.1	Very high	59 Å²	59	41.1 Å²	41.1	28%	0.276	22%	0.221	S	C	.	.	S	Bend	trans	-65.1	-32.6	172.4	-171.1	177	6.8	0	0	112.2	L251 W324 I325 V330	L251-Q303 PolarHBondContact O-N 3.01Å; Q303-W324 WeakPolarHBondContact O-CA 3.17Å; Q303-I325 WeakPolarHBondContact CA-O 3.2Å; Q303-I325 WeakPolarHBondContact CG-O 3.06Å; Q303-V330 HydrophobicContact CB-CG2 4.37Å
304	W	91.8	Very high	90.2	Very high	121 Å²	121	36.4 Å²	36.4	46%	0.458	20%	0.2	S	C	.	.	S	Bend	trans	-104.5	174.5	-176.1	-59	104	0	0	0	112.9	T252 P254 C302 R323 W324	T252-W304 PolarHBondContact O-NE1 2.63Å; P254-W304 HydrophobicContact CB-CB 3.74Å; P254-W304 HydrophobicContact CB-CG 4.29Å; C302-W304 VanDerWaalsContact C-N 3.26Å; C302-W304 PolarHBondContact O-N 3.26Å; W304-R323 WeakPolarHBondContact O-CB 3.19Å; W304-W324 AromaticContact CE3-CZ3 3.92Å; W304-W324 HydrophobicContact CE3-CZ3 3.92Å; W304-W324 HydrophobicContact CZ3-CZ3 4.47Å; W304-W324 PolarHBondContact O-N 2.94Å
305	G	86.6	Confident	90.2	Very high	4 Å²	4	33.1 Å²	33.1	4%	0.041	18%	0.176	C	C	.	.			trans	-66.3	167.4	174.4	0	0	0	0	0	114.3	W324	G305-W324 VanDerWaalsContact CA-CE2 3.44Å
306	F	88.6	Confident	90.3	Very high	12 Å²	12	38.4 Å²	38.4	5%	0.053	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-114.8	141.4	169.5	-53.6	-30.2	0	0	0	108.9	F255 C302 N311 L314 A321 V322 R323	F255-F306 HydrophobicContact CB-CB 4.39Å; F255-F306 HydrophobicContact CB-CD1 3.83Å; F255-F306 HydrophobicContact CB-CG 4.45Å; F255-F306 AromaticContact CD2-CD1 3.36Å; F255-F306 HydrophobicContact CD2-CD1 3.36Å; F255-F306 AromaticContact CD2-CE1 3.3Å; F255-F306 HydrophobicContact CD2-CE1 3.3Å; F255-F306 HydrophobicContact CD2-CG 4.38Å; F255-F306 HydrophobicContact CD2-CZ 4.26Å; F255-F306 HydrophobicContact CE2-CD1 4.18Å; F255-F306 AromaticContact CE2-CE1 3.71Å; F255-F306 HydrophobicContact CE2-CE1 3.71Å; F255-F306 HydrophobicContact CE2-CZ 4.3Å; F255-F306 AromaticContact CG-CD1 3.93Å; F255-F306 HydrophobicContact CG-CD1 3.93Å; F255-F306 HydrophobicContact CG-CE1 4.28Å; C302-F306 HydrophobicContact CB-CE1 3.4Å; C302-F306 VanDerWaalsContact CB-CE1 3.4Å; C302-F306 HydrophobicContact CB-CZ 3.82Å; C302-F306 WeakPolarHBondContact SG-CE1 3.32Å; F306-N311 HydrophobicContact CB-CB 4.42Å; F306-L314 HydrophobicContact CD2-CD1 4.4Å; F306-A321 HydrophobicContact CD2-CB 4.33Å; F306-A321 HydrophobicContact CE2-CB 3.39Å; F306-A321 HydrophobicContact CZ-CB 3.78Å; F306-V322 VanDerWaalsContact CZ-O 3.29Å; F306-V322 WeakPolarHBondContact CZ-O 3.24Å; F306-R323 HydrophobicContact CD1-CB 4.17Å; F306-R323 HydrophobicContact CD2-CB 3.81Å; F306-R323 HydrophobicContact CD2-CG 4.18Å; F306-R323 HydrophobicContact CE1-CB 4.07Å; F306-R323 HydrophobicContact CE2-CB 3.7Å; F306-R323 HydrophobicContact CE2-CG 4.28Å; F306-R323 HydrophobicContact CG-CB 4.04Å; F306-R323 HydrophobicContact CZ-CB 3.84Å
307	D	89.4	Confident	90.3	Very high	65 Å²	65	38.8 Å²	38.8	35%	0.348	19%	0.19	S	C	.	.			trans	-62.2	149.6	159.5	-165.6	-81.5	0	0	0	110.6	F255 F285 E309 A310 N311	F255-D307 PolarHBondContact O-N 2.84Å; F285-D307 HydrophobicContact CE1-CB 3.83Å; F285-D307 HydrophobicContact CE2-CB 4.32Å; F285-D307 HydrophobicContact CZ-CB 3.49Å; F285-D307 VanDerWaalsContact CZ-CB 3.49Å; D307-E309 VanDerWaalsContact C-N 3.33Å; D307-E309 PolarHBondContact O-N 3.12Å; D307-E309 PolarHBondContact OD1-N 3.03Å; D307-A310 HydrophobicContact CB-CB 4.19Å; D307-A310 PolarHBondContact O-N 3.17Å; D307-N311 WeakPolarHBondContact O-CB 3.25Å; D307-N311 PolarHBondContact O-N 2.71Å
308	D	86.9	Confident	90.2	Very high	119 Å²	119	41.2 Å²	41.2	64%	0.636	22%	0.216	S	C	*	.	H	α-helix	trans	-65.9	-35.2	-178.5	-73.3	-24.2	0	0	0	111.9	N311 H312	D308-N311 PolarHBondContact O-N 3.42Å; D308-H312 PolarHBondContact O-N 2.75Å
309	E	87.6	Confident	90.2	Very high	65 Å²	65	39.5 Å²	39.5	30%	0.304	20%	0.204	S	C	.	.	H	α-helix	trans	-66.5	-43.2	175.7	-173.3	172.6	-163.3	0	0	110.8	R282 F285 D307 N311 H312 L313	R282-E309 WeakPolarHBondContact CB-OE1 3.39Å; R282-E309 VanDerWaalsContact CG-OE1 3.31Å; R282-E309 WeakPolarHBondContact CG-OE1 3.41Å; F285-E309 HydrophobicContact CD2-CB 4.17Å; F285-E309 HydrophobicContact CD2-CG 4.18Å; F285-E309 HydrophobicContact CE2-CB 4.15Å; D307-E309 VanDerWaalsContact C-N 3.33Å; D307-E309 PolarHBondContact O-N 3.12Å; D307-E309 PolarHBondContact OD1-N 3.03Å; E309-N311 VanDerWaalsContact C-N 3.33Å; E309-N311 PolarHBondContact O-N 2.79Å; E309-H312 PolarHBondContact O-N 3.15Å; E309-L313 HydrophobicContact CG-CD1 4.35Å; E309-L313 WeakPolarHBondContact O-CG 3.36Å; E309-L313 PolarHBondContact O-N 2.89Å
310	A	89	Confident	90.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-42.3	175	0	0	0	0	0	111.9	F255 F285 D307 H312 L313 L314	F255-A310 HydrophobicContact CB-CB 3.91Å; F255-A310 HydrophobicContact CD1-CB 4.37Å; F285-A310 HydrophobicContact CB-CB 4.48Å; F285-A310 HydrophobicContact CD1-CB 3.64Å; F285-A310 HydrophobicContact CE1-CB 3.93Å; F285-A310 HydrophobicContact CG-CB 4.08Å; D307-A310 HydrophobicContact CB-CB 4.19Å; D307-A310 PolarHBondContact O-N 3.17Å; A310-H312 PolarHBondContact O-N 3.19Å; A310-L313 PolarHBondContact O-N 3.15Å; A310-L314 WeakPolarHBondContact O-CG 3.33Å; A310-L314 PolarHBondContact O-N 3.22Å
311	N	89.9	Confident	90.2	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.048	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-42.3	178.5	-165.8	21.6	0	0	0	111.8	S235 F306 D307 D308 E309 L314 V315	S235-N311 WeakPolarHBondContact CB-OD1 3.26Å; S235-N311 PolarHBondContact O-ND2 2.61Å; S235-N311 PolarHBondContact OG-OD1 3.31Å; F306-N311 HydrophobicContact CB-CB 4.42Å; D307-N311 WeakPolarHBondContact O-CB 3.25Å; D307-N311 PolarHBondContact O-N 2.71Å; D308-N311 PolarHBondContact O-N 3.42Å; E309-N311 VanDerWaalsContact C-N 3.33Å; E309-N311 PolarHBondContact O-N 2.79Å; N311-L314 PolarHBondContact O-N 2.98Å; N311-V315 WeakPolarHBondContact O-CG2 3.29Å; N311-V315 PolarHBondContact O-N 3.01Å
312	H	90.6	Very high	90.1	Very high	90 Å²	90	39.8 Å²	39.8	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-66.1	-41.6	175.7	-177.1	-101.7	0	0	0	112.4	D308 E309 A310 L314 V315 Q316	D308-H312 PolarHBondContact O-N 2.75Å; E309-H312 PolarHBondContact O-N 3.15Å; A310-H312 PolarHBondContact O-N 3.19Å; H312-L314 VanDerWaalsContact C-N 3.33Å; H312-L314 PolarHBondContact O-N 3.41Å; H312-V315 PolarHBondContact O-N 3.11Å; H312-Q316 PolarHBondContact CE1-NE2 3.25Å; H312-Q316 WeakPolarHBondContact O-CG 3.33Å; H312-Q316 PolarHBondContact O-N 2.93Å
313	L	90.5	Very high	90.1	Very high	15 Å²	15	43.6 Å²	43.6	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-37.4	175.9	-74.4	170.2	0	0	0	112.6	F285 E286 V289 E309 A310 Q316 K317	F285-L313 HydrophobicContact CB-CD1 3.67Å; E286-L313 HydrophobicContact CG-CD1 4.19Å; E286-L313 HydrophobicContact CG-CD2 4.4Å; V289-L313 HydrophobicContact CG2-CB 4.24Å; E309-L313 HydrophobicContact CG-CD1 4.35Å; E309-L313 WeakPolarHBondContact O-CG 3.36Å; E309-L313 PolarHBondContact O-N 2.89Å; A310-L313 PolarHBondContact O-N 3.15Å; L313-Q316 PolarHBondContact O-N 3.28Å; L313-K317 WeakPolarHBondContact O-CG 3.35Å; L313-K317 PolarHBondContact O-N 3.49Å
314	L	91.3	Very high	90	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-47.4	174.1	-76.9	160.4	0	0	0	111.1	M239 F255 V289 F306 A310 N311 H312 K317 G318 L319 A321	M239-L314 HydrophobicContact CE-CB 4.34Å; F255-L314 HydrophobicContact CD1-CD1 4.46Å; F255-L314 HydrophobicContact CE1-CD1 4.23Å; F255-L314 HydrophobicContact CE1-CD2 4.18Å; F255-L314 HydrophobicContact CZ-CD1 4.23Å; F255-L314 HydrophobicContact CZ-CD2 4.12Å; V289-L314 HydrophobicContact CG1-CD2 3.95Å; V289-L314 HydrophobicContact CG1-CG 4.39Å; V289-L314 HydrophobicContact CG2-CD2 4.11Å; V289-L314 HydrophobicContact CG2-CG 4.03Å; F306-L314 HydrophobicContact CD2-CD1 4.4Å; A310-L314 WeakPolarHBondContact O-CG 3.33Å; A310-L314 PolarHBondContact O-N 3.22Å; N311-L314 PolarHBondContact O-N 2.98Å; H312-L314 VanDerWaalsContact C-N 3.33Å; H312-L314 PolarHBondContact O-N 3.41Å; L314-K317 PolarHBondContact O-N 3.36Å; L314-G318 PolarHBondContact O-N 3.1Å; L314-L319 CarbonylContact C-O 3.47Å; L314-L319 HydrophobicContact CD2-CB 3.9Å; L314-L319 HydrophobicContact CD2-CD1 4.06Å; L314-L319 PolarHBondContact O-N 2.9Å; L314-A321 HydrophobicContact CD1-CB 3.79Å; L314-A321 HydrophobicContact CD2-CB 4.5Å
315	V	90.2	Very high	90.1	Very high	29 Å²	29	41.8 Å²	41.8	18%	0.176	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-47.7	177.2	177.5	0	0	0	0	111.7	H236 Q238 M239 N311 H312 K317 G318	H236-V315 HydrophobicContact CB-CG2 3.49Å; H236-V315 VanDerWaalsContact CB-CG2 3.49Å; Q238-V315 HydrophobicContact CB-CG1 4.25Å; M239-V315 HydrophobicContact CE-CG2 3.54Å; M239-V315 HydrophobicContact CG-CG2 4Å; N311-V315 WeakPolarHBondContact O-CG2 3.29Å; N311-V315 PolarHBondContact O-N 3.01Å; H312-V315 PolarHBondContact O-N 3.11Å; V315-K317 PolarHBondContact O-N 3.37Å; V315-G318 WeakPolarHBondContact O-CA 3.3Å; V315-G318 PolarHBondContact O-N 3.26Å
316	Q	89.2	Confident	90.4	Very high	131 Å²	131	43 Å²	43	61%	0.612	22%	0.223	S	C	*	.	H	α-helix	trans	-58.9	-37.1	179	-75.4	-169.3	-16	0	0	112.6	H312 L313 G318	H312-Q316 PolarHBondContact CE1-NE2 3.25Å; H312-Q316 WeakPolarHBondContact O-CG 3.33Å; H312-Q316 PolarHBondContact O-N 2.93Å; L313-Q316 PolarHBondContact O-N 3.28Å; Q316-G318 PolarHBondContact O-N 3.12Å
317	K	88.7	Confident	90.5	Very high	45 Å²	45	43.6 Å²	43.6	20%	0.196	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	0.6	177.1	-65.4	-162.6	-168.4	175.9	0	113.3	E286 V289 D290 K293 L313 L314 V315	E286-K317 PolarHBondContact O-NZ 3.26Å; V289-K317 HydrophobicContact CB-CD 4.43Å; V289-K317 HydrophobicContact CG1-CB 4.23Å; V289-K317 HydrophobicContact CG1-CD 3.69Å; V289-K317 HydrophobicContact CG1-CG 4.28Å; D290-K317 IonicContact OD1-NZ 2.8Å; D290-K317 PolarHBondContact OD1-NZ 3.45Å; D290-K317 IonicContact OD2-NZ 2.97Å; D290-K317 PolarHBondContact OD2-NZ 2.86Å; K293-K317 HydrophobicContact CD-CB 4.1Å; K293-K317 HydrophobicContact CD-CD 4.39Å; K293-K317 PolarHBondContact NZ-O 3.48Å; L313-K317 WeakPolarHBondContact O-CG 3.35Å; L313-K317 PolarHBondContact O-N 3.49Å; L314-K317 PolarHBondContact O-N 3.36Å; V315-K317 PolarHBondContact O-N 3.37Å
318	G	86.7	Confident	90.6	Very high	57 Å²	57	45.4 Å²	45.4	59%	0.588	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	27.7	178.8	0	0	0	0	0	113.6	L314 V315 Q316	L314-G318 PolarHBondContact O-N 3.1Å; V315-G318 WeakPolarHBondContact O-CA 3.3Å; V315-G318 PolarHBondContact O-N 3.26Å; Q316-G318 PolarHBondContact O-N 3.12Å
319	L	89.4	Confident	90.8	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	22%	0.224	C	C	.	.			trans	-101.2	120	175.7	-71.5	176	0	0	0	109.8	V289 V292 K293 S297 L314	V289-L319 HydrophobicContact CG1-CD1 3.8Å; V292-L319 HydrophobicContact CB-CD1 4.27Å; V292-L319 HydrophobicContact CG1-CD1 4Å; K293-L319 HydrophobicContact CB-CD1 3.94Å; S297-L319 WeakPolarHBondContact O-CD2 3.41Å; L314-L319 CarbonylContact C-O 3.47Å; L314-L319 HydrophobicContact CD2-CB 3.9Å; L314-L319 HydrophobicContact CD2-CD1 4.06Å; L314-L319 PolarHBondContact O-N 2.9Å
320	N	92.7	Very high	91.1	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.043	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	147.6	172	-72.2	39	0	0	0	109.2	F234 M239 P240 L243 S298 L299 A300	F234-N320 HydrophobicContact CD1-CB 4.07Å; F234-N320 HydrophobicContact CE1-CB 3.87Å; M239-N320 HydrophobicContact SD-CB 4.27Å; P240-N320 WeakPolarHBondContact CD-OD1 3.46Å; P240-N320 PolarHBondContact O-ND2 3.39Å; L243-N320 HydrophobicContact CD1-CB 3.88Å; S298-N320 PolarHBondContact O-N 3.19Å; L299-N320 CarbonylContact C-O 3.59Å; L299-N320 WeakPolarHBondContact CA-O 3.48Å; L299-N320 HydrophobicContact CD1-CB 3.75Å; L299-N320 WeakPolarHBondContact CD1-O 3.42Å; A300-N320 PolarHBondContact N-O 2.9Å
321	A	92.8	Very high	91.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.9	179.8	0	0	0	0	0	112.6	S235 M239 A300 F306 L314	S235-A321 VanDerWaalsContact CB-O 3.3Å; S235-A321 WeakPolarHBondContact CB-O 3.35Å; S235-A321 PolarHBondContact N-O 3.4Å; S235-A321 PolarHBondContact OG-O 2.72Å; M239-A321 HydrophobicContact CE-CB 4.14Å; M239-A321 PolarHBondContact SD-N 2.88Å; A300-A321 HydrophobicContact CB-CB 4.2Å; A300-A321 CarbonylContact O-C 3.5Å; A300-A321 WeakPolarHBondContact O-CA 3.19Å; F306-A321 HydrophobicContact CD2-CB 4.33Å; F306-A321 HydrophobicContact CE2-CB 3.39Å; F306-A321 HydrophobicContact CZ-CB 3.78Å; L314-A321 HydrophobicContact CD1-CB 3.79Å; L314-A321 HydrophobicContact CD2-CB 4.5Å
322	V	93.7	Very high	91.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.3	179	-178.6	0	0	0	0	108	K232 F234 L299 A300 L301 C302 F306 I325 L372	K232-V322 HydrophobicContact CB-CG1 3.87Å; F234-V322 HydrophobicContact CD1-CG2 4.04Å; F234-V322 HydrophobicContact CE1-CG2 4.37Å; L299-V322 HydrophobicContact CD1-CG2 4.15Å; A300-V322 PolarHBondContact O-N 3.29Å; L301-V322 HydrophobicContact CD2-CB 3.7Å; L301-V322 HydrophobicContact CD2-CG1 4.48Å; L301-V322 HydrophobicContact CD2-CG2 3.74Å; C302-V322 PolarHBondContact N-O 2.77Å; F306-V322 VanDerWaalsContact CZ-O 3.29Å; F306-V322 WeakPolarHBondContact CZ-O 3.24Å; V322-I325 HydrophobicContact CB-CD1 4.17Å; V322-I325 HydrophobicContact CG1-CD1 3.96Å; V322-I325 HydrophobicContact CG1-CG1 3.86Å; V322-L372 HydrophobicContact CG2-CD2 3.78Å
323	R	92.5	Very high	91.5	Very high	80 Å²	80	40 Å²	40	30%	0.302	22%	0.219	S	C	.	.			trans	-110.1	158.8	-177.5	54	178.4	-176.4	-173.5	0.4	111.4	W304 F306	W304-R323 WeakPolarHBondContact O-CB 3.19Å; F306-R323 HydrophobicContact CD1-CB 4.17Å; F306-R323 HydrophobicContact CD2-CB 3.81Å; F306-R323 HydrophobicContact CD2-CG 4.18Å; F306-R323 HydrophobicContact CE1-CB 4.07Å; F306-R323 HydrophobicContact CE2-CB 3.7Å; F306-R323 HydrophobicContact CE2-CG 4.28Å; F306-R323 HydrophobicContact CG-CB 4.04Å; F306-R323 HydrophobicContact CZ-CB 3.84Å
324	W	92.5	Very high	91.6	Very high	139 Å²	139	39.9 Å²	39.9	53%	0.527	22%	0.22	S	C	.	.			trans	62.4	40.1	175.5	-56.1	112.6	0	0	0	114.9	K232 C302 Q303 W304 G305	K232-W324 HydrophobicContact CD-CB 4.37Å; K232-W324 WeakPolarHBondContact CE-O 3.38Å; C302-W324 PolarHBondContact O-N 3.46Å; Q303-W324 WeakPolarHBondContact O-CA 3.17Å; W304-W324 AromaticContact CE3-CZ3 3.92Å; W304-W324 HydrophobicContact CE3-CZ3 3.92Å; W304-W324 HydrophobicContact CZ3-CZ3 4.47Å; W304-W324 PolarHBondContact O-N 2.94Å; G305-W324 VanDerWaalsContact CA-CE2 3.44Å
325	I	93.7	Very high	91.7	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	24%	0.239	C	C	.	.			trans	-75.6	134.6	175.1	-56.5	173	0	0	0	109.3	V230 L301 C302 Q303 V322 E329 V330 I333	V230-I325 HydrophobicContact CG1-CG1 4.4Å; V230-I325 HydrophobicContact CG1-CG2 4.37Å; L301-I325 HydrophobicContact CB-CD1 3.46Å; L301-I325 VanDerWaalsContact CB-CD1 3.46Å; L301-I325 HydrophobicContact CD1-CD1 4.45Å; L301-I325 HydrophobicContact CD2-CD1 3.74Å; L301-I325 HydrophobicContact CG-CD1 4.06Å; C302-I325 WeakPolarHBondContact O-CG1 3.17Å; C302-I325 PolarHBondContact O-N 3.16Å; C302-I325 VanDerWaalsContact O-N 3.08Å; Q303-I325 WeakPolarHBondContact CA-O 3.2Å; Q303-I325 WeakPolarHBondContact CG-O 3.06Å; V322-I325 HydrophobicContact CB-CD1 4.17Å; V322-I325 HydrophobicContact CG1-CD1 3.96Å; V322-I325 HydrophobicContact CG1-CG1 3.86Å; I325-E329 HydrophobicContact CG2-CB 3.76Å; I325-V330 HydrophobicContact CB-CG2 4.09Å; I325-V330 HydrophobicContact CG2-CG2 3.68Å; I325-I333 HydrophobicContact CG2-CD1 4.25Å
326	G	92.1	Very high	91.8	Very high	30 Å²	30	42.1 Å²	42.1	31%	0.309	23%	0.231	S	C	.	.			trans	-67.9	147.5	179.4	0	0	0	0	0	112.5	E329 V330	G326-E329 PolarHBondContact N-OE2 3.25Å; G326-E329 WeakPolarHBondContact O-CA 3.47Å; G326-E329 WeakPolarHBondContact O-CB 3.39Å; G326-E329 PolarHBondContact O-N 2.88Å; G326-V330 WeakPolarHBondContact O-CG2 3.31Å; G326-V330 PolarHBondContact O-N 2.96Å
327	G	91.4	Very high	91.9	Very high	25 Å²	25	36 Å²	36	26%	0.258	20%	0.202	S	C	.	.	H	α-helix	trans	-51.1	-50.8	178.9	0	0	0	0	0	114.4	E329 V330 E331	G327-E329 PolarHBondContact O-N 3.16Å; G327-V330 WeakPolarHBondContact O-CB 3.45Å; G327-V330 PolarHBondContact O-N 3.1Å; G327-V330 VanDerWaalsContact O-N 3.13Å; G327-E331 PolarHBondContact O-N 3.01Å; G327-E331 VanDerWaalsContact O-N 3.15Å
328	P	91	Very high	92.1	Very high	103 Å²	103	39.2 Å²	39.2	67%	0.669	22%	0.222	S	C	*	.	H	α-helix	trans	-60.5	-30.8	175.9	-25.3	35	0	0	0	113.6	L332	P328-L332 WeakPolarHBondContact O-CB 3.24Å; P328-L332 PolarHBondContact O-N 3.13Å; P328-L332 VanDerWaalsContact O-N 3.08Å
329	E	91.3	Very high	92.4	Very high	30 Å²	30	36.9 Å²	36.9	14%	0.14	20%	0.198	C	C	.	.	H	α-helix	trans	-73	-39.6	177.3	-44.1	-176.8	124.9	0	0	110.8	K210 I325 G326 G327 E331 L332 I333	K210-E329 VanDerWaalsContact NZ-CG 3.33Å; K210-E329 IonicContact NZ-OE1 3.14Å; K210-E329 PolarHBondContact NZ-OE1 3.1Å; I325-E329 HydrophobicContact CG2-CB 3.76Å; G326-E329 PolarHBondContact N-OE2 3.25Å; G326-E329 WeakPolarHBondContact O-CA 3.47Å; G326-E329 WeakPolarHBondContact O-CB 3.39Å; G326-E329 PolarHBondContact O-N 2.88Å; G327-E329 PolarHBondContact O-N 3.16Å; E329-E331 VanDerWaalsContact C-N 3.31Å; E329-E331 PolarHBondContact O-N 3.09Å; E329-L332 PolarHBondContact O-N 3.19Å; E329-I333 WeakPolarHBondContact O-CB 3.23Å; E329-I333 WeakPolarHBondContact O-CD1 3.03Å; E329-I333 WeakPolarHBondContact O-CG1 2.88Å; E329-I333 PolarHBondContact O-N 3.44Å
330	V	93.3	Very high	92.6	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-45	175.2	172.4	0	0	0	0	110.8	I250 T252 Q303 I325 G326 G327 A334 I341	I250-V330 HydrophobicContact CG2-CG1 3.56Å; T252-V330 HydrophobicContact CG2-CG1 4.47Å; Q303-V330 HydrophobicContact CB-CG2 4.37Å; I325-V330 HydrophobicContact CB-CG2 4.09Å; I325-V330 HydrophobicContact CG2-CG2 3.68Å; G326-V330 WeakPolarHBondContact O-CG2 3.31Å; G326-V330 PolarHBondContact O-N 2.96Å; G327-V330 WeakPolarHBondContact O-CB 3.45Å; G327-V330 PolarHBondContact O-N 3.1Å; G327-V330 VanDerWaalsContact O-N 3.13Å; V330-A334 WeakPolarHBondContact O-CB 3.29Å; V330-A334 PolarHBondContact O-N 3.04Å; V330-I341 HydrophobicContact CG1-CD1 3.87Å; V330-I341 HydrophobicContact CG1-CG1 3.93Å; V330-I341 HydrophobicContact CG1-CG2 4.09Å
331	E	92.7	Very high	92.7	Very high	121 Å²	121	47.7 Å²	47.7	57%	0.565	24%	0.242	S	C	*	.	H	α-helix	trans	-63.9	-47.7	177.1	-69.3	175.4	-176.1	0	0	111.7	G327 E329 I333 A334 I335 I341	G327-E331 PolarHBondContact O-N 3.01Å; G327-E331 VanDerWaalsContact O-N 3.15Å; E329-E331 VanDerWaalsContact C-N 3.31Å; E329-E331 PolarHBondContact O-N 3.09Å; E331-I333 PolarHBondContact O-N 3.33Å; E331-A334 WeakPolarHBondContact O-CB 3.4Å; E331-A334 PolarHBondContact O-N 3.43Å; E331-I335 WeakPolarHBondContact O-CG1 3.38Å; E331-I335 PolarHBondContact O-N 3.5Å; E331-I341 HydrophobicContact CG-CD1 4.19Å
332	L	91.6	Very high	92.8	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.058	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-39.1	179.5	-169.1	65.8	0	0	0	112.3	K210 V228 P328 E329 I335 A336 A382	K210-L332 HydrophobicContact CB-CD2 3.67Å; K210-L332 HydrophobicContact CD-CD2 3.94Å; K210-L332 HydrophobicContact CG-CD2 4.35Å; V228-L332 HydrophobicContact CG1-CD2 4.04Å; V228-L332 HydrophobicContact CG1-CG 4.45Å; V228-L332 HydrophobicContact CG2-CB 4.4Å; V228-L332 HydrophobicContact CG2-CD2 3.98Å; V228-L332 HydrophobicContact CG2-CG 3.76Å; P328-L332 WeakPolarHBondContact O-CB 3.24Å; P328-L332 PolarHBondContact O-N 3.13Å; P328-L332 VanDerWaalsContact O-N 3.08Å; E329-L332 PolarHBondContact O-N 3.19Å; L332-I335 PolarHBondContact O-N 3.03Å; L332-A336 VanDerWaalsContact O-CB 3.3Å; L332-A336 WeakPolarHBondContact O-CB 3.25Å; L332-A336 PolarHBondContact O-N 2.92Å; L332-A382 HydrophobicContact CD1-CB 4.01Å
333	I	93.7	Very high	92.7	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-41	175.5	-66.1	163.3	0	0	0	110.5	V228 V230 I250 L301 I325 E329 E331 I335 A336 T337 I374	V228-I333 HydrophobicContact CB-CG1 3.89Å; V228-I333 HydrophobicContact CG1-CD1 4.38Å; V228-I333 HydrophobicContact CG1-CG1 3.7Å; V228-I333 HydrophobicContact CG2-CG1 4.14Å; V230-I333 HydrophobicContact CG2-CD1 3.72Å; I250-I333 HydrophobicContact CD1-CG2 3.93Å; I250-I333 HydrophobicContact CG1-CG2 4.37Å; L301-I333 HydrophobicContact CD1-CD1 4.05Å; L301-I333 HydrophobicContact CD1-CG2 3.69Å; I325-I333 HydrophobicContact CG2-CD1 4.25Å; E329-I333 WeakPolarHBondContact O-CB 3.23Å; E329-I333 WeakPolarHBondContact O-CD1 3.03Å; E329-I333 WeakPolarHBondContact O-CG1 2.88Å; E329-I333 PolarHBondContact O-N 3.44Å; E331-I333 PolarHBondContact O-N 3.33Å; I333-I335 VanDerWaalsContact C-N 3.33Å; I333-I335 PolarHBondContact O-N 3.32Å; I333-A336 PolarHBondContact O-N 3.17Å; I333-T337 HydrophobicContact CG2-CG2 4.01Å; I333-T337 WeakPolarHBondContact O-CB 3.09Å; I333-T337 WeakPolarHBondContact O-CG2 3.33Å; I333-T337 PolarHBondContact O-N 3.43Å; I333-T337 PolarHBondContact O-OG1 3.34Å; I333-I374 HydrophobicContact CD1-CD1 3.9Å; I333-I374 HydrophobicContact CG1-CD1 3.98Å; I333-I374 HydrophobicContact CG2-CD1 4.07Å
334	A	93.3	Very high	92.6	Very high	12 Å²	12	55 Å²	55	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-44.7	176.2	0	0	0	0	0	111.3	I250 V330 E331 N338 G339 I341	I250-A334 VanDerWaalsContact CD1-CA 3.46Å; I250-A334 HydrophobicContact CD1-CB 3.82Å; V330-A334 WeakPolarHBondContact O-CB 3.29Å; V330-A334 PolarHBondContact O-N 3.04Å; E331-A334 WeakPolarHBondContact O-CB 3.4Å; E331-A334 PolarHBondContact O-N 3.43Å; A334-N338 CarbonylContact O-C 3.52Å; A334-N338 WeakPolarHBondContact O-CA 3.39Å; A334-N338 PolarHBondContact O-N 3.08Å; A334-G339 PolarHBondContact O-N 2.64Å; A334-I341 HydrophobicContact CB-CD1 4.27Å; A334-I341 HydrophobicContact CB-CG1 3.82Å
335	I	92.6	Very high	92.4	Very high	76 Å²	76	49.2 Å²	49.2	39%	0.39	26%	0.257	S	S	.	.	H	α-helix	trans	-66.8	-42.6	177.3	-64	165.3	0	0	0	111.8	M208 E331 L332 I333 N379	M208-I335 HydrophobicContact CE-CG2 3.61Å; M208-I335 HydrophobicContact SD-CG2 3.86Å; E331-I335 WeakPolarHBondContact O-CG1 3.38Å; E331-I335 PolarHBondContact O-N 3.5Å; L332-I335 PolarHBondContact O-N 3.03Å; I333-I335 VanDerWaalsContact C-N 3.33Å; I333-I335 PolarHBondContact O-N 3.32Å; I335-N379 WeakPolarHBondContact CG2-ND2 3.38Å; I335-N379 WeakPolarHBondContact O-CB 3.42Å; I335-N379 PolarHBondContact O-ND2 3.49Å; I335-N379 VanDerWaalsContact O-ND2 3.09Å
336	A	92.5	Very high	92.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-47.7	-179.9	0	0	0	0	0	111.4	V228 L332 I333 C377 N379 A382	V228-A336 HydrophobicContact CG2-CB 3.8Å; L332-A336 VanDerWaalsContact O-CB 3.3Å; L332-A336 WeakPolarHBondContact O-CB 3.25Å; L332-A336 PolarHBondContact O-N 2.92Å; I333-A336 PolarHBondContact O-N 3.17Å; A336-C377 HydrophobicContact CB-CB 4.11Å; A336-C377 WeakPolarHBondContact O-CB 3.37Å; A336-N379 WeakPolarHBondContact O-CB 3.48Å; A336-N379 PolarHBondContact O-N 3.37Å; A336-N379 VanDerWaalsContact O-N 3.14Å; A336-A382 HydrophobicContact CB-CB 3.75Å
337	T	92.4	Very high	91.9	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-88.1	-1.9	-172.3	64.7	0	0	0	0	114	L248 I333 G339 G354 Y355 I374	L248-T337 HydrophobicContact CD1-CG2 4.08Å; L248-T337 HydrophobicContact CD2-CG2 4.5Å; I333-T337 HydrophobicContact CG2-CG2 4.01Å; I333-T337 WeakPolarHBondContact O-CB 3.09Å; I333-T337 WeakPolarHBondContact O-CG2 3.33Å; I333-T337 PolarHBondContact O-N 3.43Å; I333-T337 PolarHBondContact O-OG1 3.34Å; T337-G339 PolarHBondContact O-N 3.05Å; T337-G339 PolarHBondContact OG1-N 3.23Å; T337-G354 WeakPolarHBondContact O-CA 3.3Å; T337-Y355 WeakPolarHBondContact CA-O 3.41Å; T337-Y355 WeakPolarHBondContact CB-O 3.45Å; T337-Y355 PolarHBondContact O-N 3.46Å; T337-I374 HydrophobicContact CG2-CG2 4.15Å
338	N	92.3	Very high	91.8	Very high	113 Å²	113	57.2 Å²	57.2	60%	0.604	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	26	-166.5	-76.9	-13.5	0	0	0	113.6	A334	A334-N338 CarbonylContact O-C 3.52Å; A334-N338 WeakPolarHBondContact O-CA 3.39Å; A334-N338 PolarHBondContact O-N 3.08Å
339	G	92	Very high	91.7	Very high	9 Å²	9	55.5 Å²	55.5	9%	0.093	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-80.5	157.3	176.5	0	0	0	0	0	111.9	A334 T337	A334-G339 PolarHBondContact O-N 2.64Å; T337-G339 PolarHBondContact O-N 3.05Å; T337-G339 PolarHBondContact OG1-N 3.23Å
340	R	94.1	Very high	91.6	Very high	172 Å²	172	57.4 Å²	57.4	65%	0.649	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-101.3	139.3	168.1	-66	-168.5	-179	-166.3	-0.4	110	V342 K352	R340-V342 PolarHBondContact O-N 3.36Å; R340-K352 HydrophobicContact CB-CB 4.14Å; R340-K352 HydrophobicContact CB-CG 4.4Å; R340-K352 PolarHBondContact N-O 3.03Å
341	I	94.8	Very high	91.4	Very high	69 Å²	69	65.6 Å²	65.6	35%	0.354	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.4	171.6	-55.1	171.8	0	0	0	108	I250 T252 V330 E331 A334	I250-I341 HydrophobicContact CG2-CG1 4.13Å; T252-I341 HydrophobicContact CG2-CG2 3.36Å; V330-I341 HydrophobicContact CG1-CD1 3.87Å; V330-I341 HydrophobicContact CG1-CG1 3.93Å; V330-I341 HydrophobicContact CG1-CG2 4.09Å; E331-I341 HydrophobicContact CG-CD1 4.19Å; A334-I341 HydrophobicContact CB-CD1 4.27Å; A334-I341 HydrophobicContact CB-CG1 3.82Å
342	V	94.3	Very high	91.4	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.4	-176.2	177.3	0	0	0	0	110.2	I250 L251 T252 R340 R344 E347 L348 K352	I250-V342 PolarHBondContact O-N 2.86Å; L251-V342 WeakPolarHBondContact CA-O 3.25Å; L251-V342 HydrophobicContact CD2-CB 4.11Å; L251-V342 HydrophobicContact CD2-CG1 4.29Å; T252-V342 PolarHBondContact N-O 3.43Å; R340-V342 PolarHBondContact O-N 3.36Å; V342-R344 WeakPolarHBondContact CG1-O 3.46Å; V342-E347 HydrophobicContact CG1-CB 4.05Å; V342-L348 HydrophobicContact CB-CD1 4.29Å; V342-L348 HydrophobicContact CG1-CB 4.49Å; V342-L348 HydrophobicContact CG1-CD1 4.36Å; V342-L348 HydrophobicContact CG2-CD1 3.99Å; V342-K352 HydrophobicContact CG2-CB 4.2Å; V342-K352 HydrophobicContact CG2-CD 3.87Å
343	P	92.2	Very high	91.4	Very high	63 Å²	63	63 Å²	63	41%	0.409	31%	0.308	S	S	.	.	S	Bend	trans	-85.7	-12.2	-178	33.8	-35.8	0	0	0	114.4	T252 C253	T252-P343 VanDerWaalsContact OG1-CA 3.3Å; T252-P343 WeakPolarHBondContact OG1-CA 3.47Å; C253-P343 WeakPolarHBondContact CB-O 3.37Å
344	R	90.3	Very high	91.4	Very high	167 Å²	167	63 Å²	63	63%	0.63	31%	0.309	S	S	*	.	S	Bend	trans	-144.2	137.9	-177.9	-61.8	-176.1	-174.5	-173.1	5	111.1	V342 N346 E347	V342-R344 WeakPolarHBondContact CG1-O 3.46Å; R344-N346 VanDerWaalsContact C-N 3.28Å; R344-N346 PolarHBondContact O-N 3.43Å; R344-E347 HydrophobicContact CB-CG 4.28Å; R344-E347 WeakPolarHBondContact O-CB 3.49Å; R344-E347 PolarHBondContact O-N 2.98Å
345	F	88.1	Confident	91.4	Very high	18 Å²	18	67.3 Å²	67.3	8%	0.079	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-56.1	-38.3	178.7	-59.7	-77.4	0	0	0	113.7	L251 C253 F255 M288 Q291 V292 E347 L348	L251-F345 HydrophobicContact CD1-CD1 4.23Å; L251-F345 HydrophobicContact CD1-CE1 3.77Å; C253-F345 HydrophobicContact CB-CE2 4.13Å; C253-F345 HydrophobicContact CB-CZ 4.49Å; C253-F345 VanDerWaalsContact SG-CE2 3.56Å; F255-F345 HydrophobicContact CD1-CE1 4.18Å; F255-F345 AromaticContact CD1-CZ 3.99Å; F255-F345 HydrophobicContact CD1-CZ 3.99Å; F255-F345 HydrophobicContact CD2-CE1 4.25Å; F255-F345 HydrophobicContact CD2-CZ 4Å; F255-F345 AromaticContact CE1-CE1 3.75Å; F255-F345 HydrophobicContact CE1-CE1 3.75Å; F255-F345 HydrophobicContact CE1-CZ 4.05Å; F255-F345 AromaticContact CE2-CE1 3.87Å; F255-F345 HydrophobicContact CE2-CE1 3.87Å; F255-F345 HydrophobicContact CE2-CZ 4.11Å; F255-F345 HydrophobicContact CG-CE1 4.44Å; F255-F345 AromaticContact CG-CZ 3.99Å; F255-F345 HydrophobicContact CG-CZ 3.99Å; F255-F345 AromaticContact CZ-CE1 3.62Å; F255-F345 HydrophobicContact CZ-CE1 3.62Å; F255-F345 HydrophobicContact CZ-CZ 4.14Å; M288-F345 HydrophobicContact CB-CD2 4.35Å; M288-F345 HydrophobicContact CB-CE1 4.5Å; M288-F345 HydrophobicContact CB-CE2 4.32Å; M288-F345 HydrophobicContact CB-CG 4.46Å; M288-F345 HydrophobicContact CB-CZ 4.4Å; M288-F345 HydrophobicContact CE-CE2 4.29Å; M288-F345 HydrophobicContact CG-CD2 3.85Å; M288-F345 HydrophobicContact CG-CE2 3.88Å; M288-F345 HydrophobicContact CG-CG 4.37Å; M288-F345 HydrophobicContact CG-CZ 4.42Å; M288-F345 HydrophobicContact SD-CD2 4.38Å; M288-F345 HydrophobicContact SD-CE2 3.86Å; M288-F345 HydrophobicContact SD-CZ 4.38Å; Q291-F345 HydrophobicContact CB-CB 4.37Å; V292-F345 HydrophobicContact CG2-CD1 3.84Å; V292-F345 HydrophobicContact CG2-CE1 4.12Å; F345-E347 PolarHBondContact O-N 3.26Å; F345-L348 WeakPolarHBondContact O-CB 3.43Å; F345-L348 PolarHBondContact O-N 3.11Å
346	N	87.8	Confident	91.5	Very high	132 Å²	132	63.7 Å²	63.7	71%	0.706	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63.9	-21.7	178	-62	-0.5	0	0	0	114.1	Q291 R344 L348	Q291-N346 PolarHBondContact NE2-OD1 2.8Å; Q291-N346 PolarHBondContact OE1-OD1 2.92Å; R344-N346 VanDerWaalsContact C-N 3.28Å; R344-N346 PolarHBondContact O-N 3.43Å; N346-L348 VanDerWaalsContact C-N 3.33Å
347	E	89.3	Confident	91.5	Very high	80 Å²	80	63.9 Å²	63.9	37%	0.374	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-90.3	-4	178.9	-67.4	177.9	-153.6	0	0	112.1	V342 R344 F345 D349 K352	V342-E347 HydrophobicContact CG1-CB 4.05Å; R344-E347 HydrophobicContact CB-CG 4.28Å; R344-E347 WeakPolarHBondContact O-CB 3.49Å; R344-E347 PolarHBondContact O-N 2.98Å; F345-E347 PolarHBondContact O-N 3.26Å; E347-D349 PolarHBondContact O-N 2.82Å; E347-K352 WeakPolarHBondContact O-CD 3.4Å; E347-K352 WeakPolarHBondContact O-CE 3.49Å; E347-K352 PolarHBondContact O-NZ 3.27Å
348	L	88.6	Confident	91.5	Very high	15 Å²	15	64.6 Å²	64.6	8%	0.079	31%	0.31	C	S	.	.			trans	-68	128.8	178	-163.8	68.5	0	0	0	108.9	A249 L251 V292 C295 V342 F345 N346 L353	A249-L348 HydrophobicContact CB-CD1 4Å; A249-L348 HydrophobicContact CB-CD2 4.13Å; L251-L348 HydrophobicContact CD2-CD1 4.19Å; V292-L348 HydrophobicContact CB-CD2 4.3Å; V292-L348 HydrophobicContact CG1-CD2 4.46Å; V292-L348 HydrophobicContact CG2-CD2 4.09Å; C295-L348 HydrophobicContact CB-CD2 3.95Å; C295-L348 HydrophobicContact CB-CG 4Å; C295-L348 WeakPolarHBondContact SG-CG 3.1Å; C295-L348 PolarHBondContact SG-O 2.79Å; V342-L348 HydrophobicContact CB-CD1 4.29Å; V342-L348 HydrophobicContact CG1-CB 4.49Å; V342-L348 HydrophobicContact CG1-CD1 4.36Å; V342-L348 HydrophobicContact CG2-CD1 3.99Å; F345-L348 WeakPolarHBondContact O-CB 3.43Å; F345-L348 PolarHBondContact O-N 3.11Å; N346-L348 VanDerWaalsContact C-N 3.33Å; L348-L353 HydrophobicContact CD1-CD2 3.99Å; L348-L353 HydrophobicContact CG-CD2 4.38Å
349	D	89.1	Confident	91.6	Very high	66 Å²	66	59.2 Å²	59.2	35%	0.353	28%	0.281	S	S	.	.			trans	-137.1	151.2	176.2	-179.6	17.6	0	0	0	107.7	E347 K351 K352	E347-D349 PolarHBondContact O-N 2.82Å; D349-K351 PolarHBondContact O-N 3.08Å; D349-K351 VanDerWaalsContact O-N 3.1Å; D349-K352 HydrophobicContact CB-CG 4.39Å; D349-K352 WeakPolarHBondContact O-CB 3.16Å; D349-K352 PolarHBondContact O-N 3.09Å
350	S	89.6	Confident	91.7	Very high	71 Å²	71	63 Å²	63	50%	0.497	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-47.9	-34.7	173.5	60	0	0	0	0	113.4	K352	S350-K352 VanDerWaalsContact C-N 3.32Å; S350-K352 PolarHBondContact O-N 2.89Å
351	K	89.3	Confident	91.5	Very high	177 Å²	177	56.6 Å²	56.6	77%	0.77	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-73.3	-19.1	178.5	-63.3	178.2	-177.6	173.7	0	114.5	D349	D349-K351 PolarHBondContact O-N 3.08Å; D349-K351 VanDerWaalsContact O-N 3.1Å
352	K	91.3	Very high	91.2	Very high	57 Å²	57	54.5 Å²	54.5	25%	0.248	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-92.8	-10.4	-178.3	-63.6	-172.5	-174.8	173.7	0	112.5	R340 V342 E347 D349 S350	R340-K352 HydrophobicContact CB-CB 4.14Å; R340-K352 HydrophobicContact CB-CG 4.4Å; R340-K352 PolarHBondContact N-O 3.03Å; V342-K352 HydrophobicContact CG2-CB 4.2Å; V342-K352 HydrophobicContact CG2-CD 3.87Å; E347-K352 WeakPolarHBondContact O-CD 3.4Å; E347-K352 WeakPolarHBondContact O-CE 3.49Å; E347-K352 PolarHBondContact O-NZ 3.27Å; D349-K352 HydrophobicContact CB-CG 4.39Å; D349-K352 WeakPolarHBondContact O-CB 3.16Å; D349-K352 PolarHBondContact O-N 3.09Å; S350-K352 VanDerWaalsContact C-N 3.32Å; S350-K352 PolarHBondContact O-N 2.89Å
353	L	92.9	Very high	90.8	Very high	22 Å²	22	58.8 Å²	58.8	12%	0.115	29%	0.286	C	S	.	.			trans	-69.7	138.2	-179.2	-59.6	179.4	0	0	0	110.9	K247 L248 A249 C295 L348	K247-L353 HydrophobicContact CB-CD1 4.21Å; L248-L353 CarbonylContact O-C 3.31Å; L248-L353 WeakPolarHBondContact O-CA 3.2Å; A249-L353 HydrophobicContact CB-CD2 3.81Å; C295-L353 HydrophobicContact CB-CD1 4.39Å; C295-L353 WeakPolarHBondContact O-CD1 3.44Å; L348-L353 HydrophobicContact CD1-CD2 3.99Å; L348-L353 HydrophobicContact CG-CD2 4.38Å
354	G	92.8	Very high	90.3	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	161.5	169.1	0	0	0	0	0	111.5	K247 L248 T337	K247-G354 CarbonylContact C-O 3.58Å; K247-G354 WeakPolarHBondContact CA-O 3.31Å; L248-G354 PolarHBondContact N-O 2.89Å; L248-G354 PolarHBondContact O-N 3.47Å; T337-G354 WeakPolarHBondContact O-CA 3.3Å
355	Y	94.3	Very high	89.5	Confident	101 Å²	101	53.1 Å²	53.1	40%	0.396	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.6	174.2	-179.7	-94.8	0	0	0	111.2	N245 V246 T337 P378	N245-Y355 HydrophobicContact CB-CE2 4.47Å; N245-Y355 PolarHBondContact OD1-OH 2.87Å; V246-Y355 WeakPolarHBondContact O-CA 3.35Å; T337-Y355 WeakPolarHBondContact CA-O 3.41Å; T337-Y355 WeakPolarHBondContact CB-O 3.45Å; T337-Y355 PolarHBondContact O-N 3.46Å; Y355-P378 HydrophobicContact CD1-CG 3.95Å; Y355-P378 WeakPolarHBondContact O-CD 3.49Å
356	A	93.3	Very high	88.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.8	167.7	0	0	0	0	0	110	V246 L248 V359 I374	V246-A356 PolarHBondContact N-O 3.06Å; V246-A356 PolarHBondContact O-N 3.47Å; L248-A356 HydrophobicContact CD1-CB 3.63Å; A356-V359 HydrophobicContact CB-CG2 4.04Å; A356-I374 HydrophobicContact CB-CG2 3.59Å
357	G	92.3	Very high	87.3	Confident	4 Å²	4	56.5 Å²	56.5	4%	0.041	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-35.5	178.6	0	0	0	0	0	112.8	R244 N245 E375 E376	R244-G357 CarbonylContact C-O 3.6Å; R244-G357 VanDerWaalsContact CA-O 3.31Å; R244-G357 WeakPolarHBondContact CA-O 3.37Å; N245-G357 PolarHBondContact N-O 2.98Å; G357-E375 PolarHBondContact N-O 3.35Å; G357-E376 WeakPolarHBondContact CA-OE2 3.41Å; G357-E376 PolarHBondContact N-O 3.19Å
358	L	93.6	Very high	86.2	Confident	18 Å²	18	62.4 Å²	62.4	9%	0.094	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	129.2	-179.4	-176.1	64.9	0	0	0	111.2	E242 R244 E375 E376	E242-L358 HydrophobicContact CG-CD1 3.73Å; R244-L358 HydrophobicContact CG-CD1 4.05Å; L358-E375 HydrophobicContact CB-CB 4.31Å; L358-E375 PolarHBondContact N-O 3.4Å; L358-E375 PolarHBondContact O-N 3.33Å; L358-E376 HydrophobicContact CB-CG 4.48Å
359	V	93.7	Very high	85.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.4	167.3	-179.5	0	0	0	0	107.9	F234 E242 L243 V246 L248 L299 A356 L372 A373 I374	F234-V359 HydrophobicContact CZ-CG1 4.23Å; E242-V359 CarbonylContact C-O 3.51Å; E242-V359 WeakPolarHBondContact CA-O 3.41Å; L243-V359 HydrophobicContact CB-CB 4.38Å; L243-V359 PolarHBondContact N-O 3.22Å; L243-V359 PolarHBondContact O-N 3.32Å; V246-V359 HydrophobicContact CB-CG2 4.04Å; V246-V359 HydrophobicContact CG1-CG2 4.21Å; V246-V359 HydrophobicContact CG2-CB 4.14Å; V246-V359 HydrophobicContact CG2-CG2 3.78Å; L248-V359 HydrophobicContact CD2-CG2 4.49Å; L299-V359 HydrophobicContact CD2-CB 4.38Å; L299-V359 HydrophobicContact CD2-CG1 3.87Å; L299-V359 HydrophobicContact CD2-CG2 4.1Å; A356-V359 HydrophobicContact CB-CG2 4.04Å; V359-L372 HydrophobicContact CG1-CD1 3.62Å; V359-L372 HydrophobicContact CG1-CD2 3.87Å; V359-L372 HydrophobicContact CG1-CG 3.72Å; V359-A373 WeakPolarHBondContact CA-O 3.17Å; V359-I374 HydrophobicContact CG1-CG1 4.35Å; V359-I374 HydrophobicContact CG2-CG1 4.32Å; V359-I374 HydrophobicContact CG2-CG2 4.25Å
360	R	93.2	Very high	85.6	Confident	87 Å²	87	63 Å²	63	33%	0.328	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144	-177.5	64.1	179.2	175	163.5	1.2	112.1	K241 E242 L362 A373 E375	K241-R360 CarbonylContact O-C 3.54Å; K241-R360 WeakPolarHBondContact O-CA 3.43Å; E242-R360 HydrophobicContact CG-CB 4.47Å; R360-L362 HydrophobicContact CG-CD2 4.25Å; R360-A373 HydrophobicContact CG-CB 4.06Å; R360-A373 PolarHBondContact N-O 3.38Å; R360-A373 PolarHBondContact O-N 3.19Å; R360-E375 IonicContact CZ-OE1 2.65Å; R360-E375 IonicContact CZ-OE2 3.43Å; R360-E375 IonicContact NE-OE1 2.78Å; R360-E375 PolarHBondContact NE-OE1 2.81Å; R360-E375 VanDerWaalsContact NE-OE1 3.14Å; R360-E375 IonicContact NE-OE2 3.26Å; R360-E375 PolarHBondContact NE-OE2 3.29Å; R360-E375 IonicContact NH2-OE1 3.28Å; R360-E375 PolarHBondContact NH2-OE1 3.33Å; R360-E375 IonicContact NH2-OE2 2.74Å; R360-E375 PolarHBondContact NH2-OE2 2.83Å
361	E	91.2	Very high	85.7	Confident	38 Å²	38	59.6 Å²	59.6	18%	0.178	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.7	171.3	-173.4	179.4	162.1	0	0	109.8	F234 K241 S370 M371	F234-E361 HydrophobicContact CD2-CB 4.36Å; F234-E361 HydrophobicContact CE2-CB 4.2Å; K241-E361 HydrophobicContact CB-CB 4.26Å; K241-E361 PolarHBondContact O-N 2.82Å; E361-S370 VanDerWaalsContact CG-CB 3.5Å; E361-S370 WeakPolarHBondContact OE1-CB 3.46Å; E361-S370 PolarHBondContact OE1-OG 3.09Å; E361-M371 CarbonylContact C-O 3.55Å; E361-M371 WeakPolarHBondContact CA-O 3.49Å
362	L	88.2	Confident	85.8	Confident	26 Å²	26	51.2 Å²	51.2	14%	0.136	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.5	172.1	-60.7	-177.8	0	0	0	108.9	L229 R360 F364 S370 M371 A373	L229-L362 HydrophobicContact CD1-CD1 3.81Å; R360-L362 HydrophobicContact CG-CD2 4.25Å; L362-F364 HydrophobicContact CB-CE1 4.47Å; L362-F364 HydrophobicContact CB-CE2 3.87Å; L362-F364 HydrophobicContact CB-CZ 3.67Å; L362-F364 HydrophobicContact CD1-CZ 4.22Å; L362-F364 VanDerWaalsContact O-CE2 3.28Å; L362-F364 WeakPolarHBondContact O-CE2 3.5Å; L362-S370 CarbonylContact O-C 3.52Å; L362-S370 WeakPolarHBondContact O-CA 3.5Å; L362-S370 VanDerWaalsContact O-CB 3.32Å; L362-S370 WeakPolarHBondContact O-CB 3.37Å; L362-M371 PolarHBondContact N-O 3.42Å; L362-M371 PolarHBondContact O-N 3.39Å; L362-A373 HydrophobicContact CD1-CB 3.94Å; L362-A373 HydrophobicContact CG-CB 4.04Å
363	T	86.1	Confident	85.9	Confident	92 Å²	92	48.5 Å²	48.5	56%	0.564	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.6	175.8	53.9	0	0	0	0	110.7
364	F	82.4	Confident	86	Confident	28 Å²	28	47.4 Å²	47.4	12%	0.123	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.1	-178.8	-56	-80.9	0	0	0	111	L362 E369 M371 L386	L362-F364 HydrophobicContact CB-CE1 4.47Å; L362-F364 HydrophobicContact CB-CE2 3.87Å; L362-F364 HydrophobicContact CB-CZ 3.67Å; L362-F364 HydrophobicContact CD1-CZ 4.22Å; L362-F364 VanDerWaalsContact O-CE2 3.28Å; L362-F364 WeakPolarHBondContact O-CE2 3.5Å; F364-E369 PolarHBondContact N-O 3.22Å; F364-M371 HydrophobicContact CD2-CE 4.08Å; F364-M371 HydrophobicContact CD2-CG 4.41Å; F364-M371 HydrophobicContact CE2-CB 3.88Å; F364-M371 HydrophobicContact CE2-CE 3.51Å; F364-M371 HydrophobicContact CE2-CG 3.62Å; F364-M371 HydrophobicContact CE2-SD 4.01Å; F364-M371 HydrophobicContact CZ-CE 3.85Å; F364-M371 HydrophobicContact CZ-CG 4.42Å; F364-M371 HydrophobicContact CZ-SD 4.32Å; F364-L386 HydrophobicContact CE1-CD2 3.73Å; F364-L386 HydrophobicContact CZ-CD2 3.73Å
365	G	72.3	Confident	85.9	Confident	82 Å²	82	48.6 Å²	48.6	85%	0.845	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	-146.9	172.5	0	0	0	0	0	114.8
366	T	66	Low	85.7	Confident	149 Å²	149	49.8 Å²	49.8	91%	0.914	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-10	-177	52.5	0	0	0	0	114.1	K368	T366-K368 PolarHBondContact O-N 3.13Å; T366-K368 VanDerWaalsContact O-N 3.11Å
367	S	63.6	Low	85.5	Confident	73 Å²	73	50.3 Å²	50.3	51%	0.51	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	8.3	-171.2	50.1	0	0	0	0	115	E369	S367-E369 PolarHBondContact O-N 3.15Å
368	K	67	Low	85.2	Confident	203 Å²	203	53.2 Å²	53.2	88%	0.883	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	14.9	-171.4	-65.7	-175.7	177.2	178.7	0	114	T366 S370	T366-K368 PolarHBondContact O-N 3.13Å; T366-K368 VanDerWaalsContact O-N 3.11Å; K368-S370 PolarHBondContact O-N 3.24Å
369	E	79.1	Confident	84.8	Confident	81 Å²	81	54.1 Å²	54.1	38%	0.379	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.4	175.1	-68.5	-177.2	169.1	0	0	109	K214 F364 S367	K214-E369 WeakPolarHBondContact CE-OE2 3.45Å; K214-E369 IonicContact NZ-OE2 3.94Å; F364-E369 PolarHBondContact N-O 3.22Å; S367-E369 PolarHBondContact O-N 3.15Å
370	S	85.6	Confident	84.1	Confident	13 Å²	13	64.3 Å²	64.3	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.8	176.3	61.1	0	0	0	0	112	S233 E361 L362 K368	S233-S370 WeakPolarHBondContact CB-OG 3.5Å; E361-S370 VanDerWaalsContact CG-CB 3.5Å; E361-S370 WeakPolarHBondContact OE1-CB 3.46Å; E361-S370 PolarHBondContact OE1-OG 3.09Å; L362-S370 CarbonylContact O-C 3.52Å; L362-S370 WeakPolarHBondContact O-CA 3.5Å; L362-S370 VanDerWaalsContact O-CB 3.32Å; L362-S370 WeakPolarHBondContact O-CB 3.37Å; K368-S370 PolarHBondContact O-N 3.24Å
371	M	91	Very high	83.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154	174.6	-63	-171.8	-139.2	0	0	109.6	V212 K214 L229 V230 E361 L362 F364 L386	V212-M371 HydrophobicContact CG1-SD 4.09Å; K214-M371 HydrophobicContact CB-CE 3.29Å; K214-M371 HydrophobicContact CD-CE 3.66Å; K214-M371 HydrophobicContact CG-CE 3.33Å; L229-M371 HydrophobicContact CD1-CB 3.87Å; L229-M371 HydrophobicContact CD1-SD 4.3Å; L229-M371 HydrophobicContact CD2-SD 3.48Å; L229-M371 WeakPolarHBondContact CD2-SD 3.28Å; L229-M371 HydrophobicContact CG-CB 4.18Å; L229-M371 HydrophobicContact CG-SD 3.78Å; V230-M371 WeakPolarHBondContact O-CA 3.45Å; V230-M371 WeakPolarHBondContact O-CB 3.41Å; E361-M371 CarbonylContact C-O 3.55Å; E361-M371 WeakPolarHBondContact CA-O 3.49Å; L362-M371 PolarHBondContact N-O 3.42Å; L362-M371 PolarHBondContact O-N 3.39Å; F364-M371 HydrophobicContact CD2-CE 4.08Å; F364-M371 HydrophobicContact CD2-CG 4.41Å; F364-M371 HydrophobicContact CE2-CB 3.88Å; F364-M371 HydrophobicContact CE2-CE 3.51Å; F364-M371 HydrophobicContact CE2-CG 3.62Å; F364-M371 HydrophobicContact CE2-SD 4.01Å; F364-M371 HydrophobicContact CZ-CE 3.85Å; F364-M371 HydrophobicContact CZ-CG 4.42Å; F364-M371 HydrophobicContact CZ-SD 4.32Å; M371-L386 HydrophobicContact CE-CD1 3.84Å; M371-L386 HydrophobicContact SD-CD1 4.33Å
372	L	92.4	Very high	83.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.4	174.4	-164.3	79.6	0	0	0	109.7	L229 V230 K232 F234 L301 V322 V359 I374	L229-L372 WeakPolarHBondContact CA-O 3.44Å; V230-L372 HydrophobicContact CB-CB 4.36Å; V230-L372 PolarHBondContact N-O 3.36Å; V230-L372 PolarHBondContact O-N 2.89Å; K232-L372 PolarHBondContact O-N 2.92Å; K232-L372 VanDerWaalsContact O-N 3.15Å; F234-L372 HydrophobicContact CD1-CD1 4.48Å; F234-L372 HydrophobicContact CD2-CD1 4.23Å; F234-L372 HydrophobicContact CE1-CD1 3.91Å; F234-L372 HydrophobicContact CE2-CD1 3.61Å; F234-L372 HydrophobicContact CZ-CD1 3.45Å; F234-L372 VanDerWaalsContact CZ-CD1 3.45Å; L301-L372 HydrophobicContact CD2-CD2 4.36Å; V322-L372 HydrophobicContact CG2-CD2 3.78Å; V359-L372 HydrophobicContact CG1-CD1 3.62Å; V359-L372 HydrophobicContact CG1-CD2 3.87Å; V359-L372 HydrophobicContact CG1-CG 3.72Å; L372-I374 HydrophobicContact CD2-CD1 4.36Å; L372-I374 HydrophobicContact CD2-CG1 4.16Å
373	A	93.1	Very high	83.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119	170.4	0	0	0	0	0	109.4	V225 L229 V359 R360 L362 E375	V225-A373 HydrophobicContact CG1-CB 4.37Å; L229-A373 HydrophobicContact CD1-CB 3.84Å; V359-A373 WeakPolarHBondContact CA-O 3.17Å; R360-A373 HydrophobicContact CG-CB 4.06Å; R360-A373 PolarHBondContact N-O 3.38Å; R360-A373 PolarHBondContact O-N 3.19Å; L362-A373 HydrophobicContact CD1-CB 3.94Å; L362-A373 HydrophobicContact CG-CB 4.04Å; A373-E375 HydrophobicContact CB-CG 4.27Å
374	I	93.6	Very high	84.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	106.7	172.7	-56.9	171.6	0	0	0	106.7	G227 V228 L248 L301 I333 T337 A356 V359 L372	G227-I374 CarbonylContact C-O 3.56Å; G227-I374 VanDerWaalsContact CA-O 3.28Å; G227-I374 WeakPolarHBondContact CA-O 3.24Å; V228-I374 PolarHBondContact N-O 2.96Å; V228-I374 PolarHBondContact O-N 3.37Å; L248-I374 HydrophobicContact CD2-CD1 4.19Å; L248-I374 HydrophobicContact CD2-CG2 4.32Å; L301-I374 HydrophobicContact CD1-CD1 3.92Å; I333-I374 HydrophobicContact CD1-CD1 3.9Å; I333-I374 HydrophobicContact CG1-CD1 3.98Å; I333-I374 HydrophobicContact CG2-CD1 4.07Å; T337-I374 HydrophobicContact CG2-CG2 4.15Å; A356-I374 HydrophobicContact CB-CG2 3.59Å; V359-I374 HydrophobicContact CG1-CG1 4.35Å; V359-I374 HydrophobicContact CG2-CG1 4.32Å; V359-I374 HydrophobicContact CG2-CG2 4.25Å; L372-I374 HydrophobicContact CD2-CD1 4.36Å; L372-I374 HydrophobicContact CD2-CG1 4.16Å
375	E	92.6	Very high	84.9	Confident	26 Å²	26	55.9 Å²	55.9	12%	0.121	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	170.4	-171.7	-66.8	175.9	-179.6	0	0	111	V225 G357 L358 R360 A373 C377	V225-E375 HydrophobicContact CG1-CG 3.78Å; G357-E375 PolarHBondContact N-O 3.35Å; L358-E375 HydrophobicContact CB-CB 4.31Å; L358-E375 PolarHBondContact N-O 3.4Å; L358-E375 PolarHBondContact O-N 3.33Å; R360-E375 IonicContact CZ-OE1 2.65Å; R360-E375 IonicContact CZ-OE2 3.43Å; R360-E375 IonicContact NE-OE1 2.78Å; R360-E375 PolarHBondContact NE-OE1 2.81Å; R360-E375 VanDerWaalsContact NE-OE1 3.14Å; R360-E375 IonicContact NE-OE2 3.26Å; R360-E375 PolarHBondContact NE-OE2 3.29Å; R360-E375 IonicContact NH2-OE1 3.28Å; R360-E375 PolarHBondContact NH2-OE1 3.33Å; R360-E375 IonicContact NH2-OE2 2.74Å; R360-E375 PolarHBondContact NH2-OE2 2.83Å; A373-E375 HydrophobicContact CB-CG 4.27Å; E375-C377 VanDerWaalsContact C-N 3.26Å; E375-C377 PolarHBondContact O-N 3.36Å
376	E	89.5	Confident	85.9	Confident	126 Å²	126	52 Å²	52	59%	0.589	26%	0.257	S	S	*	.	S	Bend	trans	55.3	42.7	-179.4	-60	-176.8	178.6	0	0	112.8	G357 L358	G357-E376 WeakPolarHBondContact CA-OE2 3.41Å; G357-E376 PolarHBondContact N-O 3.19Å; L358-E376 HydrophobicContact CB-CG 4.48Å
377	C	88.5	Confident	87.2	Confident	11 Å²	11	44.9 Å²	44.9	7%	0.074	21%	0.214	C	C	.	.			trans	-74.2	146.4	177.1	-71	0	0	0	0	111.3	A336 E375 N379	A336-C377 HydrophobicContact CB-CB 4.11Å; A336-C377 WeakPolarHBondContact O-CB 3.37Å; E375-C377 VanDerWaalsContact C-N 3.26Å; E375-C377 PolarHBondContact O-N 3.36Å; C377-N379 VanDerWaalsContact C-N 3.26Å; C377-N379 PolarHBondContact O-N 3.27Å
378	P	86.7	Confident	88.4	Confident	64 Å²	64	42.1 Å²	42.1	42%	0.416	19%	0.192	S	C	.	.	S	Bend	trans	-54.6	-41.9	174.8	-26.1	33	0	0	0	112.9	Y355 R380	Y355-P378 HydrophobicContact CD1-CG 3.95Å; Y355-P378 WeakPolarHBondContact O-CD 3.49Å; P378-R380 PolarHBondContact O-N 2.97Å
379	N	84.5	Confident	89.5	Confident	37 Å²	37	32.4 Å²	32.4	20%	0.198	15%	0.15	C	C	.	.			trans	-90.2	101.1	176.6	-173.8	2	0	0	0	110.4	I335 A336 C377 K381	I335-N379 WeakPolarHBondContact CG2-ND2 3.38Å; I335-N379 WeakPolarHBondContact O-CB 3.42Å; I335-N379 PolarHBondContact O-ND2 3.49Å; I335-N379 VanDerWaalsContact O-ND2 3.09Å; A336-N379 WeakPolarHBondContact O-CB 3.48Å; A336-N379 PolarHBondContact O-N 3.37Å; A336-N379 VanDerWaalsContact O-N 3.14Å; C377-N379 VanDerWaalsContact C-N 3.26Å; C377-N379 PolarHBondContact O-N 3.27Å; N379-K381 PolarHBondContact O-N 3.2Å; N379-K381 VanDerWaalsContact OD1-CB 3.31Å; N379-K381 WeakPolarHBondContact OD1-CB 3.44Å; N379-K381 PolarHBondContact OD1-N 3.12Å; N379-K381 VanDerWaalsContact OD1-N 3.1Å
380	R	79.8	Confident	89.9	Confident	215 Å²	215	31 Å²	31	81%	0.811	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-6.2	179.2	-63.2	-176.4	-178.5	-170.5	-0.6	114.2	P378 A382	P378-R380 PolarHBondContact O-N 2.97Å; R380-A382 VanDerWaalsContact C-N 3.32Å
381	K	85.5	Confident	90.1	Very high	93 Å²	93	33.2 Å²	33.2	40%	0.404	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.9	-178.6	-60.8	-171.6	176	-170.5	0	113.4	V196 M208 N379	V196-K381 WeakPolarHBondContact CG2-O 3.33Å; M208-K381 WeakPolarHBondContact CB-O 3.43Å; M208-K381 HydrophobicContact CE-CB 3.74Å; N379-K381 PolarHBondContact O-N 3.2Å; N379-K381 VanDerWaalsContact OD1-CB 3.31Å; N379-K381 WeakPolarHBondContact OD1-CB 3.44Å; N379-K381 PolarHBondContact OD1-N 3.12Å; N379-K381 VanDerWaalsContact OD1-N 3.1Å
382	A	89.3	Confident	90	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.008	20%	0.197	C	C	.	.			trans	-97	119	175.7	0	0	0	0	0	109.6	M208 G227 L332 A336 R380	M208-A382 HydrophobicContact CE-CB 4.04Å; G227-A382 WeakPolarHBondContact CA-O 3.33Å; G227-A382 PolarHBondContact N-O 2.95Å; L332-A382 HydrophobicContact CD1-CB 4.01Å; A336-A382 HydrophobicContact CB-CB 3.75Å; R380-A382 VanDerWaalsContact C-N 3.32Å
383	V	93.4	Very high	89.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.8	-177.9	-60.7	0	0	0	0	110.9	A192 V196 M208 I209 K210 L224 G227	A192-V383 HydrophobicContact CB-CG2 4.19Å; V196-V383 HydrophobicContact CG2-CG2 3.78Å; M208-V383 PolarHBondContact O-N 3.31Å; I209-V383 WeakPolarHBondContact CA-O 3.49Å; I209-V383 HydrophobicContact CB-CG2 4.37Å; I209-V383 HydrophobicContact CG1-CG2 3.9Å; I209-V383 HydrophobicContact CG2-CG2 4.33Å; K210-V383 PolarHBondContact N-O 3.44Å; L224-V383 HydrophobicContact CD1-CB 3.98Å; L224-V383 HydrophobicContact CD1-CG2 4.16Å; G227-V383 CarbonylContact O-C 3.53Å; G227-V383 VanDerWaalsContact O-C 3.3Å; G227-V383 WeakPolarHBondContact O-CA 3.43Å
384	T	94.2	Very high	89.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.2	175.8	-54.2	0	0	0	0	110.1	K210 V212 V225 G227 V228 L229	K210-T384 HydrophobicContact CB-CG2 3.99Å; K210-T384 HydrophobicContact CD-CG2 4.17Å; K210-T384 HydrophobicContact CG-CG2 4.16Å; K210-T384 CarbonylContact O-C 3.5Å; K210-T384 VanDerWaalsContact O-CA 3.23Å; K210-T384 WeakPolarHBondContact O-CA 3.49Å; K210-T384 WeakPolarHBondContact O-CG2 3.38Å; V212-T384 HydrophobicContact CB-CG2 4.25Å; V212-T384 HydrophobicContact CG2-CG2 3.62Å; V225-T384 WeakPolarHBondContact CA-O 3.46Å; V225-T384 WeakPolarHBondContact CB-O 3.45Å; V225-T384 PolarHBondContact N-O 3.32Å; V225-T384 PolarHBondContact O-N 2.83Å; G227-T384 WeakPolarHBondContact O-CB 3.35Å; G227-T384 PolarHBondContact O-N 3.39Å; G227-T384 PolarHBondContact O-OG1 3.21Å; V228-T384 WeakPolarHBondContact CA-OG1 3.47Å; L229-T384 HydrophobicContact CB-CG2 3.54Å; L229-T384 PolarHBondContact N-OG1 2.93Å
385	I	95.1	Very high	89.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.2	173.1	-56.3	168.8	0	0	0	107.9	I188 A192 I209 K210 I211 V212 L224 I387 L402 L406	I188-I385 HydrophobicContact CG2-CB 4.36Å; I188-I385 HydrophobicContact CG2-CD1 4.13Å; I188-I385 HydrophobicContact CG2-CG1 4.01Å; I188-I385 HydrophobicContact CG2-CG2 3.47Å; I188-I385 VanDerWaalsContact CG2-CG2 3.47Å; A192-I385 HydrophobicContact CB-CD1 3.65Å; A192-I385 HydrophobicContact CB-CG1 4.1Å; I209-I385 HydrophobicContact CG2-CD1 3.78Å; I209-I385 HydrophobicContact CG2-CG1 4.3Å; K210-I385 PolarHBondContact O-N 3.39Å; I211-I385 HydrophobicContact CG1-CD1 4.49Å; V212-I385 PolarHBondContact N-O 3.19Å; L224-I385 HydrophobicContact CD1-CG1 3.77Å; I385-I387 HydrophobicContact CG2-CG1 4.21Å; I385-L402 HydrophobicContact CB-CD2 4.11Å; I385-L402 HydrophobicContact CD1-CD2 3.75Å; I385-L402 HydrophobicContact CD1-CG 4.4Å; I385-L402 HydrophobicContact CG2-CD2 3.53Å; I385-L406 HydrophobicContact CD1-CD1 4.22Å; I385-L406 HydrophobicContact CD1-CD2 4.14Å
386	L	93.8	Very high	89.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.7	171.8	173.9	59.7	0	0	0	108.9	V212 K214 S222 M223 L229 F364 M371 R388	V212-L386 HydrophobicContact CG1-CD1 4.44Å; V212-L386 CarbonylContact O-C 3.49Å; V212-L386 WeakPolarHBondContact O-CA 2.84Å; K214-L386 HydrophobicContact CB-CD1 4.32Å; S222-L386 CarbonylContact C-O 3.57Å; S222-L386 WeakPolarHBondContact CA-O 3.11Å; S222-L386 VanDerWaalsContact CB-O 3.3Å; S222-L386 WeakPolarHBondContact CB-O 3.45Å; M223-L386 HydrophobicContact CG-CB 4.2Å; M223-L386 HydrophobicContact CG-CD2 4.35Å; M223-L386 PolarHBondContact N-O 3.36Å; M223-L386 PolarHBondContact O-N 3.27Å; L229-L386 HydrophobicContact CD2-CB 3.93Å; L229-L386 HydrophobicContact CD2-CD1 3.81Å; L229-L386 HydrophobicContact CD2-CD2 4.14Å; L229-L386 HydrophobicContact CD2-CG 4.16Å; F364-L386 HydrophobicContact CE1-CD2 3.73Å; F364-L386 HydrophobicContact CZ-CD2 3.73Å; M371-L386 HydrophobicContact CE-CD1 3.84Å; M371-L386 HydrophobicContact SD-CD1 4.33Å; L386-R388 HydrophobicContact CD2-CG 4.46Å; L386-R388 HydrophobicContact CG-CG 4.22Å
387	I	92.6	Very high	89	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.5	174.2	-55.2	-179.4	0	0	0	109.2	I211 V212 K214 I385 V395 A398 K399 L402	I211-I387 HydrophobicContact CG2-CD1 3.46Å; I211-I387 VanDerWaalsContact CG2-CD1 3.46Å; I211-I387 HydrophobicContact CG2-CG1 3.98Å; V212-I387 PolarHBondContact O-N 3.39Å; K214-I387 PolarHBondContact N-O 3.24Å; I385-I387 HydrophobicContact CG2-CG1 4.21Å; I387-V395 HydrophobicContact CG2-CG1 4.09Å; I387-A398 HydrophobicContact CG2-CB 3.9Å; I387-K399 HydrophobicContact CD1-CB 3.79Å; I387-K399 HydrophobicContact CD1-CG 4.3Å; I387-L402 HydrophobicContact CD1-CB 4.34Å; I387-L402 HydrophobicContact CD1-CD2 3.64Å; I387-L402 HydrophobicContact CG1-CD2 4.1Å
388	R	89.8	Confident	89.1	Confident	14 Å²	14	41 Å²	41	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	157.1	176.1	-62.1	-59	-57.7	-170.2	8.6	109.9	K214 V215 G216 S218 L219 D221 S222 L386	K214-R388 VanDerWaalsContact CB-NH1 3.32Å; K214-R388 PolarHBondContact O-NE 3.2Å; V215-R388 PolarHBondContact O-NH2 3.34Å; G216-R388 VanDerWaalsContact O-CZ 3.27Å; G216-R388 PolarHBondContact O-NE 3.4Å; G216-R388 PolarHBondContact O-NH2 3.41Å; S218-R388 WeakPolarHBondContact O-CB 3.33Å; L219-R388 WeakPolarHBondContact CA-O 3.36Å; L219-R388 WeakPolarHBondContact CD2-O 3.46Å; D221-R388 HydrophobicContact CB-CB 3.94Å; D221-R388 HydrophobicContact CB-CG 3.98Å; S222-R388 PolarHBondContact OG-N 3.29Å; L386-R388 HydrophobicContact CD2-CG 4.46Å; L386-R388 HydrophobicContact CG-CG 4.22Å
389	G	89.1	Confident	89.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.8	154.9	176.7	0	0	0	0	0	113	G216 G217 T391 V395	G216-G389 CarbonylContact C-O 3.58Å; G216-G389 WeakPolarHBondContact CA-O 3.34Å; G216-G389 PolarHBondContact N-O 3.27Å; G216-G389 PolarHBondContact O-N 2.89Å; G217-G389 CarbonylContact O-C 3.58Å; G217-G389 VanDerWaalsContact O-C 3.3Å; G389-T391 VanDerWaalsContact C-N 3.33Å; G389-T391 PolarHBondContact O-N 3.08Å; G389-V395 VanDerWaalsContact CA-CG2 3.48Å
390	G	88.5	Confident	89.5	Confident	52 Å²	52	42.3 Å²	42.3	54%	0.536	20%	0.204	S	C	.	.	S	Bend	trans	-66	-32	-169.5	0	0	0	0	0	114.3	G217	G217-G390 WeakPolarHBondContact O-CA 3.03Å; G217-G390 PolarHBondContact O-N 2.77Å; G217-G390 VanDerWaalsContact O-N 3.14Å
391	T	88.4	Confident	89.9	Confident	59 Å²	59	32.1 Å²	32.1	36%	0.362	17%	0.165	S	C	.	.	S	Bend	trans	-132.4	153.9	178.7	67.4	0	0	0	0	110.8	G389 M393 I394 V395	G389-T391 VanDerWaalsContact C-N 3.33Å; G389-T391 PolarHBondContact O-N 3.08Å; T391-M393 PolarHBondContact O-N 2.89Å; T391-I394 PolarHBondContact O-N 2.85Å; T391-I394 WeakPolarHBondContact OG1-CD1 3.42Å; T391-I394 WeakPolarHBondContact OG1-CG1 3.41Å; T391-I394 PolarHBondContact OG1-N 3.21Å; T391-V395 WeakPolarHBondContact O-CG2 3.4Å; T391-V395 PolarHBondContact O-N 3.05Å; T391-V395 VanDerWaalsContact O-N 3.09Å
392	K	88.9	Confident	90.2	Very high	131 Å²	131	27.7 Å²	27.7	57%	0.57	15%	0.146	S	C	*	.	H	α-helix	trans	-55.5	-40.1	176.1	-172.2	-179.5	175.7	-172.8	0	112.2	V215 I394 V395 D396	V215-K392 HydrophobicContact CG2-CB 3.99Å; V215-K392 HydrophobicContact CG2-CG 4.4Å; K392-I394 PolarHBondContact O-N 3.25Å; K392-V395 PolarHBondContact O-N 2.93Å; K392-D396 WeakPolarHBondContact O-CB 3.2Å; K392-D396 PolarHBondContact O-N 3.34Å
393	M	85.9	Confident	90.3	Very high	87 Å²	87	31.1 Å²	31.1	43%	0.429	16%	0.162	S	C	.	.	H	α-helix	trans	-58.7	-45.3	178	-66.3	-176.7	-71.7	0	0	112.4	V68 T391 E397	V68-M393 HydrophobicContact CB-SD 4.3Å; V68-M393 HydrophobicContact CG1-SD 4.31Å; T391-M393 PolarHBondContact O-N 2.89Å; M393-E397 WeakPolarHBondContact O-CB 3.42Å; M393-E397 PolarHBondContact O-N 3.29Å; M393-E397 VanDerWaalsContact O-N 3.09Å
394	I	87.4	Confident	90.2	Very high	58 Å²	58	31.4 Å²	31.4	30%	0.297	16%	0.163	S	C	.	.	H	α-helix	trans	-66.8	-39.6	178.5	-67.3	169.4	0	0	0	110.8	L219 T391 K392 E397 A398	L219-I394 HydrophobicContact CD1-CG2 3.67Å; L219-I394 HydrophobicContact CD2-CG2 4.05Å; L219-I394 HydrophobicContact CG-CG2 3.94Å; T391-I394 PolarHBondContact O-N 2.85Å; T391-I394 WeakPolarHBondContact OG1-CD1 3.42Å; T391-I394 WeakPolarHBondContact OG1-CG1 3.41Å; T391-I394 PolarHBondContact OG1-N 3.21Å; K392-I394 PolarHBondContact O-N 3.25Å; I394-E397 PolarHBondContact O-N 3.09Å; I394-A398 VanDerWaalsContact O-CB 3.26Å; I394-A398 WeakPolarHBondContact O-CB 3.32Å; I394-A398 PolarHBondContact O-N 3.41Å
395	V	90.3	Very high	90.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-68.6	-45.3	-179.6	176.1	0	0	0	0	111.5	D213 I387 G389 T391 K392 E397 A398 K399	D213-V395 HydrophobicContact CB-CG1 3.37Å; I387-V395 HydrophobicContact CG2-CG1 4.09Å; G389-V395 VanDerWaalsContact CA-CG2 3.48Å; T391-V395 WeakPolarHBondContact O-CG2 3.4Å; T391-V395 PolarHBondContact O-N 3.05Å; T391-V395 VanDerWaalsContact O-N 3.09Å; K392-V395 PolarHBondContact O-N 2.93Å; V395-E397 VanDerWaalsContact C-N 3.27Å; V395-E397 PolarHBondContact O-N 3.1Å; V395-A398 PolarHBondContact O-N 3.42Å; V395-K399 WeakPolarHBondContact O-CB 3.46Å; V395-K399 PolarHBondContact O-N 3.4Å
396	D	89.5	Confident	90.1	Very high	45 Å²	45	31.5 Å²	31.5	24%	0.241	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-40.4	176.4	-73.9	-16.8	0	0	0	110.7	K392 R400	K392-D396 WeakPolarHBondContact O-CB 3.2Å; K392-D396 PolarHBondContact O-N 3.34Å; D396-R400 WeakPolarHBondContact O-CG 3.22Å; D396-R400 PolarHBondContact O-N 3.17Å
397	E	88	Confident	90.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-70.4	-43	176.1	-171	64.9	178.9	0	0	112.4	T71 I177 M393 I394 V395 K399 R400 C401	T71-E397 WeakPolarHBondContact CA-OE1 3.44Å; T71-E397 WeakPolarHBondContact CB-OE1 3.38Å; T71-E397 VanDerWaalsContact CB-OE2 3.24Å; T71-E397 WeakPolarHBondContact CB-OE2 2.86Å; T71-E397 VanDerWaalsContact OG1-CD 3.26Å; T71-E397 PolarHBondContact OG1-OE1 3Å; T71-E397 PolarHBondContact OG1-OE2 3.47Å; I177-E397 HydrophobicContact CB-CG 4.32Å; I177-E397 HydrophobicContact CD1-CG 4.03Å; I177-E397 HydrophobicContact CG1-CG 4.31Å; M393-E397 WeakPolarHBondContact O-CB 3.42Å; M393-E397 PolarHBondContact O-N 3.29Å; M393-E397 VanDerWaalsContact O-N 3.09Å; I394-E397 PolarHBondContact O-N 3.09Å; V395-E397 VanDerWaalsContact C-N 3.27Å; V395-E397 PolarHBondContact O-N 3.1Å; E397-K399 PolarHBondContact O-N 2.7Å; E397-R400 WeakPolarHBondContact O-CB 3.38Å; E397-R400 PolarHBondContact O-N 2.84Å; E397-R400 VanDerWaalsContact O-N 3.11Å; E397-R400 IonicContact OE2-CZ 2.8Å; E397-R400 IonicContact OE2-NH1 2.72Å; E397-R400 PolarHBondContact OE2-NH1 3.17Å; E397-C401 PolarHBondContact O-N 3.06Å; E397-C401 PolarHBondContact O-SG 2.76Å
398	A	89.8	Confident	90.2	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-36.5	176	0	0	0	0	0	112	L219 I387 I394 V395 C401 L402	L219-A398 HydrophobicContact CD2-CB 3.52Å; I387-A398 HydrophobicContact CG2-CB 3.9Å; I394-A398 VanDerWaalsContact O-CB 3.26Å; I394-A398 WeakPolarHBondContact O-CB 3.32Å; I394-A398 PolarHBondContact O-N 3.41Å; V395-A398 PolarHBondContact O-N 3.42Å; A398-C401 PolarHBondContact O-N 2.88Å; A398-L402 VanDerWaalsContact O-CB 3.22Å; A398-L402 WeakPolarHBondContact O-CB 3.28Å; A398-L402 PolarHBondContact O-N 3.48Å
399	K	91.4	Very high	90.4	Very high	73 Å²	73	31.1 Å²	31.1	32%	0.317	16%	0.163	S	C	.	.	H	α-helix	trans	-60.1	-43.1	173.2	-179.1	173.2	-173.9	172.5	0	112.6	I211 D213 I387 V395 E397 H403	I211-K399 HydrophobicContact CG2-CD 4.37Å; I211-K399 HydrophobicContact CG2-CG 3.91Å; D213-K399 HydrophobicContact CB-CD 4.45Å; D213-K399 IonicContact OD1-NZ 3.39Å; D213-K399 PolarHBondContact OD1-NZ 3.28Å; I387-K399 HydrophobicContact CD1-CB 3.79Å; I387-K399 HydrophobicContact CD1-CG 4.3Å; V395-K399 WeakPolarHBondContact O-CB 3.46Å; V395-K399 PolarHBondContact O-N 3.4Å; E397-K399 PolarHBondContact O-N 2.7Å; K399-H403 PolarHBondContact O-N 2.88Å; K399-H403 VanDerWaalsContact O-N 3.08Å
400	R	88.7	Confident	90.6	Very high	56 Å²	56	32 Å²	32	21%	0.211	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-50.6	175	-65.6	177	-164.6	124.7	6.5	111.4	T76 D396 E397 L402 H403 D404	T76-R400 WeakPolarHBondContact OG1-CD 3.29Å; D396-R400 WeakPolarHBondContact O-CG 3.22Å; D396-R400 PolarHBondContact O-N 3.17Å; E397-R400 WeakPolarHBondContact O-CB 3.38Å; E397-R400 PolarHBondContact O-N 2.84Å; E397-R400 VanDerWaalsContact O-N 3.11Å; E397-R400 IonicContact OE2-CZ 2.8Å; E397-R400 IonicContact OE2-NH1 2.72Å; E397-R400 PolarHBondContact OE2-NH1 3.17Å; R400-L402 PolarHBondContact O-N 3.04Å; R400-H403 WeakPolarHBondContact O-CA 3.26Å; R400-H403 WeakPolarHBondContact O-CB 3.33Å; R400-H403 PolarHBondContact O-N 2.89Å; R400-D404 PolarHBondContact O-N 3.26Å
401	C	89.1	Confident	90.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-53.1	-44	177.7	-62.4	0	0	0	0	111.6	L173 K176 E397 A398 D404 A405	L173-C401 VanDerWaalsContact CD2-C 3.49Å; L173-C401 HydrophobicContact CD2-CB 3.57Å; L173-C401 WeakPolarHBondContact CD2-O 3.2Å; K176-C401 WeakPolarHBondContact CB-SG 3.39Å; K176-C401 HydrophobicContact CD-CB 4.06Å; K176-C401 WeakPolarHBondContact CD-SG 3.34Å; E397-C401 PolarHBondContact O-N 3.06Å; E397-C401 PolarHBondContact O-SG 2.76Å; A398-C401 PolarHBondContact O-N 2.88Å; C401-D404 PolarHBondContact O-N 2.95Å; C401-A405 PolarHBondContact O-N 3.41Å; C401-A405 VanDerWaalsContact O-N 3.09Å
402	L	91.6	Very high	91	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-43.5	177.6	-176.9	75.7	0	0	0	111.8	I188 A189 I211 I385 I387 A398 R400 D404 A405 L406	I188-L402 HydrophobicContact CG2-CD1 4.38Å; A189-L402 HydrophobicContact CB-CD1 3.89Å; I211-L402 HydrophobicContact CD1-CD2 4.11Å; I211-L402 HydrophobicContact CG1-CD2 4.29Å; I211-L402 HydrophobicContact CG2-CD2 4.22Å; I385-L402 HydrophobicContact CB-CD2 4.11Å; I385-L402 HydrophobicContact CD1-CD2 3.75Å; I385-L402 HydrophobicContact CD1-CG 4.4Å; I385-L402 HydrophobicContact CG2-CD2 3.53Å; I387-L402 HydrophobicContact CD1-CB 4.34Å; I387-L402 HydrophobicContact CD1-CD2 3.64Å; I387-L402 HydrophobicContact CG1-CD2 4.1Å; A398-L402 VanDerWaalsContact O-CB 3.22Å; A398-L402 WeakPolarHBondContact O-CB 3.28Å; A398-L402 PolarHBondContact O-N 3.48Å; R400-L402 PolarHBondContact O-N 3.04Å; L402-D404 VanDerWaalsContact C-N 3.28Å; L402-D404 PolarHBondContact O-N 2.97Å; L402-A405 WeakPolarHBondContact O-CB 3.23Å; L402-A405 PolarHBondContact O-N 2.85Å; L402-L406 HydrophobicContact CG-CD1 4.49Å; L402-L406 VanDerWaalsContact O-CG 3.28Å; L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 2.88Å
403	H	91.9	Very high	91.2	Very high	73 Å²	73	21.2 Å²	21.2	34%	0.338	10%	0.1	S	C	.	.	H	α-helix	trans	-57	-43.1	176.4	179.5	-89.9	0	0	0	111.9	K399 R400 A405 L406 C407	K399-H403 PolarHBondContact O-N 2.88Å; K399-H403 VanDerWaalsContact O-N 3.08Å; R400-H403 WeakPolarHBondContact O-CA 3.26Å; R400-H403 WeakPolarHBondContact O-CB 3.33Å; R400-H403 PolarHBondContact O-N 2.89Å; H403-A405 PolarHBondContact O-N 2.91Å; H403-L406 WeakPolarHBondContact O-CB 3.41Å; H403-L406 PolarHBondContact O-N 3.11Å; H403-C407 VanDerWaalsContact CE1-SG 3.54Å; H403-C407 PolarHBondContact O-N 2.95Å; H403-C407 PolarHBondContact O-SG 3.42Å
404	D	91.4	Very high	91.5	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.027	10%	0.098	C	C	.	.	H	α-helix	trans	-65.5	-42.2	178.5	-54.6	-14.1	0	0	0	110.9	G103 K176 R400 C401 L402 L406 C407 V408	G103-D404 WeakPolarHBondContact O-CA 3.47Å; G103-D404 WeakPolarHBondContact O-CB 3.34Å; K176-D404 IonicContact NZ-OD2 2.78Å; K176-D404 PolarHBondContact NZ-OD2 2.77Å; R400-D404 PolarHBondContact O-N 3.26Å; C401-D404 PolarHBondContact O-N 2.95Å; L402-D404 VanDerWaalsContact C-N 3.28Å; L402-D404 PolarHBondContact O-N 2.97Å; D404-L406 VanDerWaalsContact C-N 3.33Å; D404-L406 PolarHBondContact O-N 2.65Å; D404-C407 WeakPolarHBondContact O-CB 3.45Å; D404-C407 PolarHBondContact O-N 2.75Å; D404-C407 VanDerWaalsContact O-N 3.11Å; D404-V408 WeakPolarHBondContact O-CG2 3.49Å; D404-V408 PolarHBondContact O-N 2.84Å
405	A	92.1	Very high	91.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-40.7	174.3	0	0	0	0	0	112.2	A169 L173 A189 C401 L402 H403 C407 V408 V409	A169-A405 HydrophobicContact CB-CB 4.37Å; L173-A405 HydrophobicContact CD1-CB 4.11Å; L173-A405 HydrophobicContact CD2-CB 4.05Å; L173-A405 HydrophobicContact CG-CB 3.95Å; A189-A405 HydrophobicContact CB-CB 3.96Å; C401-A405 PolarHBondContact O-N 3.41Å; C401-A405 VanDerWaalsContact O-N 3.09Å; L402-A405 WeakPolarHBondContact O-CB 3.23Å; L402-A405 PolarHBondContact O-N 2.85Å; H403-A405 PolarHBondContact O-N 2.91Å; A405-C407 VanDerWaalsContact C-N 3.3Å; A405-C407 PolarHBondContact O-N 3.45Å; A405-V408 PolarHBondContact O-N 3.33Å; A405-V409 WeakPolarHBondContact O-CG2 3.35Å; A405-V409 PolarHBondContact O-N 2.94Å; A405-V409 VanDerWaalsContact O-N 3.1Å
406	L	94.6	Very high	91.8	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-60.9	-41.1	173.6	-66.5	171.7	0	0	0	111.1	A189 A192 V193 F206 I209 I211 I385 L402 H403 D404 V409 R410	A189-L406 HydrophobicContact CB-CD2 3.93Å; A189-L406 HydrophobicContact CB-CG 4.37Å; A189-L406 WeakPolarHBondContact O-CD2 3.3Å; A192-L406 HydrophobicContact CB-CD2 4.09Å; V193-L406 HydrophobicContact CG2-CB 4.22Å; V193-L406 HydrophobicContact CG2-CD2 3.53Å; V193-L406 HydrophobicContact CG2-CG 4.49Å; F206-L406 HydrophobicContact CE1-CB 3.8Å; F206-L406 HydrophobicContact CZ-CB 4.16Å; I209-L406 HydrophobicContact CD1-CD2 4.36Å; I209-L406 HydrophobicContact CG2-CD1 4.1Å; I211-L406 HydrophobicContact CD1-CD1 3.85Å; I385-L406 HydrophobicContact CD1-CD1 4.22Å; I385-L406 HydrophobicContact CD1-CD2 4.14Å; L402-L406 HydrophobicContact CG-CD1 4.49Å; L402-L406 VanDerWaalsContact O-CG 3.28Å; L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 2.88Å; H403-L406 WeakPolarHBondContact O-CB 3.41Å; H403-L406 PolarHBondContact O-N 3.11Å; D404-L406 VanDerWaalsContact C-N 3.33Å; D404-L406 PolarHBondContact O-N 2.65Å; L406-V409 PolarHBondContact O-N 2.93Å; L406-R410 WeakPolarHBondContact O-CB 3.25Å; L406-R410 PolarHBondContact O-N 3.04Å
407	C	94.2	Very high	92.1	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-64.7	-43.3	177.4	-68.1	0	0	0	0	112.6	I102 H403 D404 A405 V409 R410 N411	I102-C407 WeakPolarHBondContact O-CB 3.22Å; H403-C407 VanDerWaalsContact CE1-SG 3.54Å; H403-C407 PolarHBondContact O-N 2.95Å; H403-C407 PolarHBondContact O-SG 3.42Å; D404-C407 WeakPolarHBondContact O-CB 3.45Å; D404-C407 PolarHBondContact O-N 2.75Å; D404-C407 VanDerWaalsContact O-N 3.11Å; A405-C407 VanDerWaalsContact C-N 3.3Å; A405-C407 PolarHBondContact O-N 3.45Å; C407-V409 PolarHBondContact O-N 2.97Å; C407-R410 WeakPolarHBondContact O-CB 3.37Å; C407-R410 PolarHBondContact O-N 2.99Å; C407-N411 WeakPolarHBondContact O-CB 3.39Å; C407-N411 PolarHBondContact O-N 2.85Å; C407-N411 PolarHBondContact O-ND2 3.41Å; C407-N411 PolarHBondContact O-OD1 2.88Å
408	V	93.2	Very high	92.5	Very high	4 Å²	4	24 Å²	24	2%	0.024	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-46.4	175.4	169.8	0	0	0	0	111.4	D104 T168 D404 A405 N411 L412 T508	D104-V408 HydrophobicContact CB-CG2 3.76Å; T168-V408 HydrophobicContact CG2-CG1 3.72Å; D404-V408 WeakPolarHBondContact O-CG2 3.49Å; D404-V408 PolarHBondContact O-N 2.84Å; A405-V408 PolarHBondContact O-N 3.33Å; V408-N411 PolarHBondContact O-N 3.08Å; V408-L412 PolarHBondContact O-N 2.94Å; V408-L412 VanDerWaalsContact O-N 3.12Å; V408-T508 HydrophobicContact CG1-CG2 4.11Å
409	V	93.7	Very high	92.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.5	-39.7	178.4	-178.7	0	0	0	0	111.2	A169 V190 V193 A405 L406 C407 N411 L412 I413	A169-V409 HydrophobicContact CB-CG2 4.1Å; V190-V409 HydrophobicContact CG2-CG2 3.74Å; V193-V409 HydrophobicContact CB-CB 4.31Å; V193-V409 HydrophobicContact CB-CG1 3.8Å; V193-V409 HydrophobicContact CG1-CB 4.27Å; V193-V409 HydrophobicContact CG1-CG1 3.63Å; V193-V409 HydrophobicContact CG2-CB 4.2Å; V193-V409 HydrophobicContact CG2-CG1 4.25Å; A405-V409 WeakPolarHBondContact O-CG2 3.35Å; A405-V409 PolarHBondContact O-N 2.94Å; A405-V409 VanDerWaalsContact O-N 3.1Å; L406-V409 PolarHBondContact O-N 2.93Å; C407-V409 PolarHBondContact O-N 2.97Å; V409-N411 VanDerWaalsContact C-N 3.3Å; V409-N411 PolarHBondContact O-N 3.47Å; V409-L412 PolarHBondContact O-N 3.38Å; V409-I413 HydrophobicContact CG1-CD1 4.43Å; V409-I413 WeakPolarHBondContact O-CG1 3.43Å; V409-I413 PolarHBondContact O-N 3.49Å
410	R	93.5	Very high	92.9	Very high	20 Å²	20	21.2 Å²	21.2	8%	0.075	9%	0.091	C	C	.	.	H	α-helix	trans	-57.7	-43.8	171.6	171.1	-162.2	70	174.5	7.1	111.4	E101 I102 V204 F206 L406 C407 L412 I413 R414	E101-R410 PolarHBondContact O-NH2 3.27Å; I102-R410 PolarHBondContact O-NH2 2.9Å; V204-R410 HydrophobicContact CB-CB 4.21Å; V204-R410 HydrophobicContact CB-CG 3.93Å; V204-R410 HydrophobicContact CG2-CB 4.07Å; V204-R410 HydrophobicContact CG2-CG 4Å; F206-R410 HydrophobicContact CE1-CB 4.37Å; F206-R410 HydrophobicContact CZ-CB 3.82Å; F206-R410 HydrophobicContact CZ-CG 4.26Å; L406-R410 WeakPolarHBondContact O-CB 3.25Å; L406-R410 PolarHBondContact O-N 3.04Å; C407-R410 WeakPolarHBondContact O-CB 3.37Å; C407-R410 PolarHBondContact O-N 2.99Å; R410-L412 VanDerWaalsContact C-N 3.31Å; R410-L412 PolarHBondContact O-N 3.27Å; R410-I413 PolarHBondContact O-N 3.01Å; R410-I413 VanDerWaalsContact O-N 3.13Å; R410-R414 PolarHBondContact O-N 3.32Å; R410-R414 VanDerWaalsContact O-N 3.08Å
411	N	93.7	Very high	93.1	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-39.2	-178	-64.5	-17.4	0	0	0	111.1	I102 C407 V408 V409 I413 R414 D415 T508	I102-N411 WeakPolarHBondContact CG2-ND2 3.09Å; I102-N411 PolarHBondContact O-ND2 3.46Å; C407-N411 WeakPolarHBondContact O-CB 3.39Å; C407-N411 PolarHBondContact O-N 2.85Å; C407-N411 PolarHBondContact O-ND2 3.41Å; C407-N411 PolarHBondContact O-OD1 2.88Å; V408-N411 PolarHBondContact O-N 3.08Å; V409-N411 VanDerWaalsContact C-N 3.3Å; V409-N411 PolarHBondContact O-N 3.47Å; N411-I413 VanDerWaalsContact C-N 3.31Å; N411-I413 PolarHBondContact O-N 2.91Å; N411-R414 PolarHBondContact O-N 2.85Å; N411-D415 PolarHBondContact O-N 2.94Å; N411-D415 VanDerWaalsContact O-O 3.08Å; N411-T508 HydrophobicContact CB-CG2 4.01Å
412	L	92.6	Very high	93.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-63.6	-32.8	173.5	-70	174.9	0	0	0	113.4	V157 L165 T168 V408 V409 R410 D415 N416 I418 T508	V157-L412 HydrophobicContact CG2-CB 4.38Å; L165-L412 HydrophobicContact CD2-CB 4.24Å; L165-L412 HydrophobicContact CD2-CD1 3.6Å; T168-L412 HydrophobicContact CG2-CD1 3.88Å; V408-L412 PolarHBondContact O-N 2.94Å; V408-L412 VanDerWaalsContact O-N 3.12Å; V409-L412 PolarHBondContact O-N 3.38Å; R410-L412 VanDerWaalsContact C-N 3.31Å; R410-L412 PolarHBondContact O-N 3.27Å; L412-D415 WeakPolarHBondContact CA-O 3.28Å; L412-D415 CarbonylContact O-C 3.49Å; L412-D415 VanDerWaalsContact O-C 3.31Å; L412-N416 VanDerWaalsContact O-CA 3.26Å; L412-N416 WeakPolarHBondContact O-CA 3.24Å; L412-N416 PolarHBondContact O-N 3.24Å; L412-I418 HydrophobicContact CD2-CG2 3.54Å; L412-T508 HydrophobicContact CD2-CG2 3.9Å; L412-T508 HydrophobicContact CG-CG2 3.95Å
413	I	92.1	Very high	93.4	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.051	9%	0.089	C	C	.	.	H	α-helix	trans	-70.9	-36.9	176	-69.1	167	0	0	0	111.1	V157 V193 A197 V204 V409 R410 N411	V157-I413 HydrophobicContact CG1-CG1 4.1Å; V193-I413 HydrophobicContact CG1-CD1 3.37Å; A197-I413 HydrophobicContact CB-CD1 3.75Å; V204-I413 HydrophobicContact CG2-CB 4.44Å; V204-I413 HydrophobicContact CG2-CD1 3.77Å; V204-I413 HydrophobicContact CG2-CG2 4.35Å; V409-I413 HydrophobicContact CG1-CD1 4.43Å; V409-I413 WeakPolarHBondContact O-CG1 3.43Å; V409-I413 PolarHBondContact O-N 3.49Å; R410-I413 PolarHBondContact O-N 3.01Å; R410-I413 VanDerWaalsContact O-N 3.13Å; N411-I413 VanDerWaalsContact C-N 3.31Å; N411-I413 PolarHBondContact O-N 2.91Å
414	R	91.9	Very high	93.5	Very high	102 Å²	102	15.9 Å²	15.9	39%	0.385	7%	0.073	S	C	.	.	H	α-helix	trans	-69.7	-48.1	176.6	-75.4	177.9	173.5	-173.4	-0.5	111.7	R202 D203 R410 N411 I510	R202-R414 WeakPolarHBondContact O-CG 3.38Å; D203-R414 IonicContact OD1-CZ 2.84Å; D203-R414 IonicContact OD1-NE 2.88Å; D203-R414 PolarHBondContact OD1-NE 2.98Å; D203-R414 IonicContact OD1-NH2 2.84Å; D203-R414 PolarHBondContact OD1-NH2 3.27Å; R410-R414 PolarHBondContact O-N 3.32Å; R410-R414 VanDerWaalsContact O-N 3.08Å; N411-R414 PolarHBondContact O-N 2.85Å; R414-I510 HydrophobicContact CB-CD1 4.29Å
415	D	92.4	Very high	93.8	Very high	28 Å²	28	15.7 Å²	15.7	15%	0.15	7%	0.073	C	C	.	.			trans	-143	114	175.7	-175.2	-3.7	0	0	0	108.8	N411 L412 R417 I510	N411-D415 PolarHBondContact O-N 2.94Å; N411-D415 VanDerWaalsContact O-O 3.08Å; L412-D415 WeakPolarHBondContact CA-O 3.28Å; L412-D415 CarbonylContact O-C 3.49Å; L412-D415 VanDerWaalsContact O-C 3.31Å; D415-R417 PolarHBondContact O-N 3.19Å; D415-R417 WeakPolarHBondContact OD1-CB 3.41Å; D415-R417 WeakPolarHBondContact OD1-CG 3.41Å; D415-R417 IonicContact OD1-CZ 3.07Å; D415-R417 PolarHBondContact OD1-N 2.74Å; D415-R417 VanDerWaalsContact OD1-N 3.12Å; D415-R417 IonicContact OD1-NE 3.98Å; D415-R417 PolarHBondContact OD1-NE 3.42Å; D415-R417 IonicContact OD1-NH2 3.15Å; D415-R417 IonicContact OD2-CZ 2.67Å; D415-R417 IonicContact OD2-NE 2.6Å; D415-R417 PolarHBondContact OD2-NE 2.91Å; D415-R417 IonicContact OD2-NH2 3.19Å; D415-R417 PolarHBondContact OD2-NH2 3.05Å; D415-I510 HydrophobicContact CB-CD1 3.31Å; D415-I510 HydrophobicContact CB-CG1 3.66Å
416	N	92.9	Very high	94	Very high	41 Å²	41	16 Å²	16	22%	0.219	7%	0.074	C	C	.	.			trans	-80.4	4.8	-175.5	68.9	-41.7	0	0	0	113	H155 V157 L412	H155-N416 VanDerWaalsContact CB-O 3.3Å; H155-N416 WeakPolarHBondContact CB-O 3.49Å; H155-N416 PolarHBondContact N-O 3.42Å; H155-N416 PolarHBondContact O-ND2 2.67Å; V157-N416 HydrophobicContact CG2-CB 3.7Å; L412-N416 VanDerWaalsContact O-CA 3.26Å; L412-N416 WeakPolarHBondContact O-CA 3.24Å; L412-N416 PolarHBondContact O-N 3.24Å
417	R	95.8	Very high	94.1	Very high	75 Å²	75	15.9 Å²	15.9	28%	0.283	7%	0.073	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	138.3	175.8	-65.7	178.4	-64.5	153.9	3.8	111.4	D149 E153 E154 D415 L509	D149-R417 IonicContact OD1-NH1 3.88Å; D149-R417 PolarHBondContact OD1-NH1 3.12Å; E153-R417 CarbonylContact O-C 3.3Å; E153-R417 WeakPolarHBondContact O-CA 3.29Å; E154-R417 HydrophobicContact CG-CG 4.41Å; D415-R417 PolarHBondContact O-N 3.19Å; D415-R417 WeakPolarHBondContact OD1-CB 3.41Å; D415-R417 WeakPolarHBondContact OD1-CG 3.41Å; D415-R417 IonicContact OD1-CZ 3.07Å; D415-R417 PolarHBondContact OD1-N 2.74Å; D415-R417 VanDerWaalsContact OD1-N 3.12Å; D415-R417 IonicContact OD1-NE 3.98Å; D415-R417 PolarHBondContact OD1-NE 3.42Å; D415-R417 IonicContact OD1-NH2 3.15Å; D415-R417 IonicContact OD2-CZ 2.67Å; D415-R417 IonicContact OD2-NE 2.6Å; D415-R417 PolarHBondContact OD2-NE 2.91Å; D415-R417 IonicContact OD2-NH2 3.19Å; D415-R417 PolarHBondContact OD2-NH2 3.05Å; R417-L509 HydrophobicContact CB-CB 4Å; R417-L509 HydrophobicContact CB-CD2 3.65Å; R417-L509 HydrophobicContact CB-CG 4.49Å; R417-L509 HydrophobicContact CG-CD2 4.48Å; R417-L509 VanDerWaalsContact O-CB 3.23Å; R417-L509 WeakPolarHBondContact O-CB 3.32Å; R417-L509 PolarHBondContact O-N 3.33Å
418	I	95.7	Very high	94.2	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	160.7	-178.3	60.4	161.6	0	0	0	111.7	S152 E153 H155 L412 I506 E507	S152-I418 WeakPolarHBondContact CA-O 3.23Å; S152-I418 WeakPolarHBondContact CB-O 3.34Å; E153-I418 HydrophobicContact CB-CG1 4.43Å; E153-I418 PolarHBondContact N-O 3.2Å; E153-I418 VanDerWaalsContact O-CG1 3.32Å; E153-I418 WeakPolarHBondContact O-CG1 3.49Å; E153-I418 PolarHBondContact O-N 3.07Å; H155-I418 HydrophobicContact CB-CB 4.48Å; H155-I418 HydrophobicContact CB-CD1 4.05Å; H155-I418 HydrophobicContact CB-CG1 4.04Å; H155-I418 HydrophobicContact CB-CG2 3.68Å; L412-I418 HydrophobicContact CD2-CG2 3.54Å; I418-I506 HydrophobicContact CB-CG2 3.67Å; I418-I506 HydrophobicContact CD1-CB 4.48Å; I418-I506 HydrophobicContact CD1-CD1 4.06Å; I418-I506 HydrophobicContact CD1-CG1 4.07Å; I418-I506 HydrophobicContact CD1-CG2 3.6Å; I418-I506 HydrophobicContact CG1-CG2 4.24Å; I418-I506 HydrophobicContact CG2-CG2 3.58Å; I418-E507 WeakPolarHBondContact CA-O 3.2Å
419	V	95.9	Very high	94.4	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	165.4	165.2	-64.9	0	0	0	0	108.6	L148 A425 E507 L509 K512	L148-V419 HydrophobicContact CD2-CG1 4.33Å; V419-A425 HydrophobicContact CB-CB 4.33Å; V419-A425 HydrophobicContact CG2-CB 4.31Å; V419-E507 HydrophobicContact CG2-CB 4.15Å; V419-E507 PolarHBondContact N-O 3.07Å; V419-E507 PolarHBondContact O-N 2.86Å; V419-E507 VanDerWaalsContact O-O 3.07Å; V419-L509 HydrophobicContact CG1-CD1 3.8Å; V419-K512 HydrophobicContact CG2-CB 3.9Å; V419-K512 HydrophobicContact CG2-CG 4.11Å
420	Y	94.7	Very high	94.5	Very high	18 Å²	18	16.1 Å²	16.1	7%	0.071	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.9	-178.9	-63.9	-79.7	0	0	0	110.7	E153 S424 Y488 M500 K501 V505	E153-Y420 HydrophobicContact CG-CE2 4.43Å; E153-Y420 PolarHBondContact OE2-OH 3.37Å; Y420-S424 PolarHBondContact O-OG 3.37Å; Y420-Y488 HydrophobicContact CD2-CD1 4.47Å; Y420-Y488 HydrophobicContact CD2-CG 4.32Å; Y420-Y488 HydrophobicContact CE2-CD1 4.44Å; Y420-M500 HydrophobicContact CD1-CB 4.5Å; Y420-K501 HydrophobicContact CD1-CB 3.86Å; Y420-K501 VanDerWaalsContact CE1-CA 3.4Å; Y420-K501 HydrophobicContact CE1-CB 3.41Å; Y420-K501 VanDerWaalsContact CE1-CB 3.41Å; Y420-K501 HydrophobicContact CE1-CD 4.19Å; Y420-K501 HydrophobicContact CE1-CG 3.59Å; Y420-K501 HydrophobicContact CE2-CB 4.34Å; Y420-K501 HydrophobicContact CE2-CD 4.19Å; Y420-K501 HydrophobicContact CE2-CG 4.46Å; Y420-K501 WeakPolarHBondContact OH-CD 3.37Å; Y420-K501 WeakPolarHBondContact OH-CE 3.37Å; Y420-K501 VanDerWaalsContact OH-CG 3.3Å; Y420-K501 WeakPolarHBondContact OH-CG 3.07Å; Y420-K501 PolarHBondContact OH-NZ 2.99Å; Y420-V505 WeakPolarHBondContact CA-O 3.5Å
421	G	93	Very high	94.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-148.1	-177.4	0	0	0	0	0	113.1	G423 S424 M500 V505 E507	G421-G423 PolarHBondContact O-N 3.31Å; G421-S424 VanDerWaalsContact O-CB 3.28Å; G421-S424 WeakPolarHBondContact O-CB 3.36Å; G421-S424 PolarHBondContact O-N 3.35Å; G421-S424 PolarHBondContact O-OG 2.69Å; G421-M500 WeakPolarHBondContact O-CG 3.45Å; G421-V505 PolarHBondContact N-O 3.48Å; G421-E507 WeakPolarHBondContact CA-OE2 3.09Å
422	G	91.7	Very high	94.7	Very high	14 Å²	14	17.8 Å²	17.8	14%	0.144	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	21.4	179.5	0	0	0	0	0	114	S424 G490 V491	G422-S424 PolarHBondContact O-N 3.24Å; G422-G490 WeakPolarHBondContact O-CA 3.37Å; G422-V491 PolarHBondContact O-N 3.01Å
423	G	93.9	Very high	94.9	Very high	3 Å²	3	17.8 Å²	17.8	3%	0.031	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.9	-174.7	0	0	0	0	0	113.9	G421 E426 L427 L462	G421-G423 PolarHBondContact O-N 3.31Å; G423-E426 WeakPolarHBondContact CA-OE2 3.41Å; G423-L427 VanDerWaalsContact O-CB 3.29Å; G423-L427 WeakPolarHBondContact O-CB 3.49Å; G423-L427 PolarHBondContact O-N 3.08Å; G423-L462 VanDerWaalsContact N-CD1 3.33Å
424	S	95.4	Very high	95	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70.9	-41.8	-175.6	69.1	0	0	0	0	112.1	Y420 G421 G422 L427 S428 Q481 P487 L489	Y420-S424 PolarHBondContact O-OG 3.37Å; G421-S424 VanDerWaalsContact O-CB 3.28Å; G421-S424 WeakPolarHBondContact O-CB 3.36Å; G421-S424 PolarHBondContact O-N 3.35Å; G421-S424 PolarHBondContact O-OG 2.69Å; G422-S424 PolarHBondContact O-N 3.24Å; S424-L427 PolarHBondContact O-N 2.89Å; S424-S428 WeakPolarHBondContact O-CB 3.27Å; S424-S428 PolarHBondContact O-N 2.62Å; S424-Q481 PolarHBondContact O-NE2 3.44Å; S424-P487 CarbonylContact C-O 3.58Å; S424-P487 WeakPolarHBondContact CB-O 3.41Å; S424-L489 WeakPolarHBondContact CB-O 3.29Å
425	A	96	Very high	95.2	Very high	1 Å²	1	20 Å²	20	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-63.3	-44.8	175.6	0	0	0	0	0	112.1	L148 V419 S428 C429	L148-A425 HydrophobicContact CD2-CB 3.99Å; V419-A425 HydrophobicContact CB-CB 4.33Å; V419-A425 HydrophobicContact CG2-CB 4.31Å; A425-S428 PolarHBondContact O-N 3.35Å; A425-C429 WeakPolarHBondContact O-CB 3.44Å; A425-C429 PolarHBondContact O-N 3.09Å; A425-C429 PolarHBondContact O-SG 3.1Å
426	E	97.2	Very high	95.3	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.028	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-45.4	175.7	-67.7	80.3	177.8	0	0	111.2	G423 S428 C429 A430 I458 K512 F516	G423-E426 WeakPolarHBondContact CA-OE2 3.41Å; E426-S428 PolarHBondContact O-N 3.37Å; E426-C429 PolarHBondContact O-N 3.12Å; E426-A430 WeakPolarHBondContact O-CB 3.3Å; E426-A430 PolarHBondContact O-N 3.02Å; E426-I458 HydrophobicContact CB-CB 4.43Å; E426-I458 HydrophobicContact CG-CB 3.96Å; E426-I458 HydrophobicContact CG-CG1 4.15Å; E426-I458 HydrophobicContact CG-CG2 4.05Å; E426-K512 WeakPolarHBondContact OE1-CD 3.19Å; E426-K512 WeakPolarHBondContact OE1-CE 3.4Å; E426-K512 IonicContact OE1-NZ 3.73Å; E426-K512 PolarHBondContact OE1-NZ 2.98Å; E426-F516 HydrophobicContact CG-CE1 3.95Å; E426-F516 HydrophobicContact CG-CZ 3.96Å
427	L	96.1	Very high	95.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-64.5	-41.3	179	-168.9	61.7	0	0	0	112	G423 S424 A430 M431 E456 P459 I474 L477 K478	G423-L427 VanDerWaalsContact O-CB 3.29Å; G423-L427 WeakPolarHBondContact O-CB 3.49Å; G423-L427 PolarHBondContact O-N 3.08Å; S424-L427 PolarHBondContact O-N 2.89Å; L427-A430 WeakPolarHBondContact O-CB 3.45Å; L427-A430 PolarHBondContact O-N 3.24Å; L427-M431 WeakPolarHBondContact O-CG 3.37Å; L427-M431 PolarHBondContact O-N 2.86Å; L427-M431 VanDerWaalsContact O-N 3.12Å; L427-E456 HydrophobicContact CD1-CG 4.08Å; L427-P459 HydrophobicContact CB-CG 4.49Å; L427-I474 HydrophobicContact CD1-CG2 3.96Å; L427-L477 HydrophobicContact CD2-CB 3.53Å; L427-L477 HydrophobicContact CD2-CD1 4.46Å; L427-K478 HydrophobicContact CD1-CD 4.31Å; L427-K478 HydrophobicContact CD1-CG 3.64Å; L427-K478 HydrophobicContact CD2-CG 4.16Å; L427-K478 HydrophobicContact CG-CG 4.07Å
428	S	96.2	Very high	95.3	Very high	10 Å²	10	21 Å²	21	7%	0.07	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-44.2	177.2	-142.6	0	0	0	0	111.7	H147 S424 A425 E426 M431 V432 Q481 P487	H147-S428 PolarHBondContact NE2-OG 3.22Å; S424-S428 WeakPolarHBondContact O-CB 3.27Å; S424-S428 PolarHBondContact O-N 2.62Å; A425-S428 PolarHBondContact O-N 3.35Å; E426-S428 PolarHBondContact O-N 3.37Å; S428-M431 PolarHBondContact O-N 3.09Å; S428-V432 PolarHBondContact O-N 3.39Å; S428-Q481 PolarHBondContact OG-OE1 3.29Å; S428-P487 VanDerWaalsContact OG-CB 3.24Å; S428-P487 WeakPolarHBondContact OG-CB 3.39Å
429	C	97.3	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-42.9	174.6	-67.9	0	0	0	0	111.9	A144 L148 A425 E426 M431 V432 V433 L455 F516	A144-C429 HydrophobicContact CB-CB 4.06Å; L148-C429 VanDerWaalsContact CD2-SG 3.53Å; A425-C429 WeakPolarHBondContact O-CB 3.44Å; A425-C429 PolarHBondContact O-N 3.09Å; A425-C429 PolarHBondContact O-SG 3.1Å; E426-C429 PolarHBondContact O-N 3.12Å; C429-M431 VanDerWaalsContact C-N 3.3Å; C429-M431 PolarHBondContact O-N 3.33Å; C429-V432 PolarHBondContact O-N 3.44Å; C429-V433 WeakPolarHBondContact O-CB 3.39Å; C429-V433 VanDerWaalsContact O-CG2 3.28Å; C429-V433 WeakPolarHBondContact O-CG2 3.3Å; C429-V433 PolarHBondContact O-N 3.12Å; C429-L455 HydrophobicContact CB-CD1 3.75Å; C429-F516 HydrophobicContact CB-CE2 4.05Å
430	A	96.7	Very high	95.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57	-44.2	178.5	0	0	0	0	0	111.5	E426 L427 V432 V433 Q434 A452 L455 E456	E426-A430 WeakPolarHBondContact O-CB 3.3Å; E426-A430 PolarHBondContact O-N 3.02Å; L427-A430 WeakPolarHBondContact O-CB 3.45Å; L427-A430 PolarHBondContact O-N 3.24Å; A430-V432 PolarHBondContact O-N 3.44Å; A430-V433 PolarHBondContact O-N 3.49Å; A430-Q434 VanDerWaalsContact O-CB 3.24Å; A430-Q434 WeakPolarHBondContact O-CB 3.33Å; A430-Q434 PolarHBondContact O-N 3.22Å; A430-A452 HydrophobicContact CB-CB 4.25Å; A430-A452 WeakPolarHBondContact O-CB 3.17Å; A430-L455 HydrophobicContact CB-CB 3.93Å; A430-L455 HydrophobicContact CB-CD1 4.25Å; A430-E456 HydrophobicContact CB-CG 3.77Å
431	M	94.9	Very high	94.8	Very high	25 Å²	25	33.6 Å²	33.6	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-42.1	178.2	-68.7	-175	-66.6	0	0	113	L427 S428 C429 Q434 Q435 K478 Q481 V482	L427-M431 WeakPolarHBondContact O-CG 3.37Å; L427-M431 PolarHBondContact O-N 2.86Å; L427-M431 VanDerWaalsContact O-N 3.12Å; S428-M431 PolarHBondContact O-N 3.09Å; C429-M431 VanDerWaalsContact C-N 3.3Å; C429-M431 PolarHBondContact O-N 3.33Å; M431-Q434 PolarHBondContact O-N 3.23Å; M431-Q435 VanDerWaalsContact O-CG 3.28Å; M431-Q435 WeakPolarHBondContact O-CG 3.39Å; M431-Q435 PolarHBondContact O-N 3.05Å; M431-K478 HydrophobicContact CG-CG 4.41Å; M431-K478 HydrophobicContact SD-CB 4.21Å; M431-K478 HydrophobicContact SD-CG 4.21Å; M431-Q481 HydrophobicContact CE-CB 3.6Å; M431-Q481 HydrophobicContact CE-CG 4.23Å; M431-Q481 HydrophobicContact SD-CB 4.43Å; M431-V482 HydrophobicContact SD-CG2 3.59Å; M431-V482 VanDerWaalsContact SD-CG2 3.59Å
432	V	95.5	Very high	94.6	Very high	33 Å²	33	35.7 Å²	35.7	20%	0.2	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-40.6	178.2	171.1	0	0	0	0	111.6	L143 H147 S428 C429 A430 Q434 Q435 E436	L143-V432 HydrophobicContact CD1-CG1 4.41Å; L143-V432 HydrophobicContact CD2-CG1 4.35Å; L143-V432 HydrophobicContact CG-CG1 4.3Å; H147-V432 WeakPolarHBondContact CE1-CG2 3.31Å; H147-V432 WeakPolarHBondContact ND1-CG2 3.33Å; S428-V432 PolarHBondContact O-N 3.39Å; C429-V432 PolarHBondContact O-N 3.44Å; A430-V432 PolarHBondContact O-N 3.44Å; V432-Q434 VanDerWaalsContact C-N 3.3Å; V432-Q434 PolarHBondContact O-N 3.45Å; V432-Q435 PolarHBondContact O-N 3.38Å; V432-E436 PolarHBondContact O-N 2.78Å
433	V	96.7	Very high	94.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-41.1	174.1	174	0	0	0	0	110.7	A140 L143 A144 C429 A430 E436 A437 F448 F451 A452	A140-V433 HydrophobicContact CB-CG1 3.98Å; L143-V433 HydrophobicContact CD2-CG2 4.29Å; A144-V433 HydrophobicContact CB-CG2 4.17Å; C429-V433 WeakPolarHBondContact O-CB 3.39Å; C429-V433 VanDerWaalsContact O-CG2 3.28Å; C429-V433 WeakPolarHBondContact O-CG2 3.3Å; C429-V433 PolarHBondContact O-N 3.12Å; A430-V433 PolarHBondContact O-N 3.49Å; V433-E436 PolarHBondContact O-N 3.35Å; V433-A437 PolarHBondContact O-N 2.88Å; V433-F448 HydrophobicContact CG1-CB 4.16Å; V433-F448 HydrophobicContact CG1-CD1 3.99Å; V433-F448 HydrophobicContact CG1-CG 4.45Å; V433-F448 VanDerWaalsContact CG1-O 3.26Å; V433-F448 WeakPolarHBondContact CG1-O 3.47Å; V433-F451 HydrophobicContact CG1-CB 4.48Å; V433-F451 HydrophobicContact CG1-CD1 4.23Å; V433-F451 HydrophobicContact CG2-CD1 4.36Å; V433-A452 HydrophobicContact CB-CB 4.24Å; V433-A452 HydrophobicContact CG1-CB 4.09Å
434	Q	95.6	Very high	94.1	Very high	51 Å²	51	41.9 Å²	41.9	24%	0.238	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-42.5	177.5	-175.3	58.8	50.5	0	0	112.5	A430 M431 V432 E436 A437 D438 A452	A430-Q434 VanDerWaalsContact O-CB 3.24Å; A430-Q434 WeakPolarHBondContact O-CB 3.33Å; A430-Q434 PolarHBondContact O-N 3.22Å; M431-Q434 PolarHBondContact O-N 3.23Å; V432-Q434 VanDerWaalsContact C-N 3.3Å; V432-Q434 PolarHBondContact O-N 3.45Å; Q434-E436 VanDerWaalsContact C-N 3.3Å; Q434-E436 PolarHBondContact O-N 3.08Å; Q434-A437 VanDerWaalsContact O-CB 3.31Å; Q434-A437 WeakPolarHBondContact O-CB 3.49Å; Q434-A437 PolarHBondContact O-N 2.96Å; Q434-D438 PolarHBondContact O-N 2.84Å; Q434-A452 HydrophobicContact CB-CB 4.23Å
435	Q	94.9	Very high	94.1	Very high	109 Å²	109	44 Å²	44	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-35.5	175.7	-74.3	172.5	10.6	0	0	112.4	M431 V432	M431-Q435 VanDerWaalsContact O-CG 3.28Å; M431-Q435 WeakPolarHBondContact O-CG 3.39Å; M431-Q435 PolarHBondContact O-N 3.05Å; V432-Q435 PolarHBondContact O-N 3.38Å
436	E	95.5	Very high	94.1	Very high	62 Å²	62	48.2 Å²	48.2	29%	0.29	25%	0.252	S	S	.	.	H	α-helix	trans	-73.5	-34.6	175.4	-164.1	61.6	-159.5	0	0	111.7	L143 V432 V433 Q434 D438 K439 I440 F448	L143-E436 HydrophobicContact CD2-CB 3.5Å; L143-E436 VanDerWaalsContact CD2-CB 3.5Å; L143-E436 HydrophobicContact CD2-CG 3.79Å; V432-E436 PolarHBondContact O-N 2.78Å; V433-E436 PolarHBondContact O-N 3.35Å; Q434-E436 VanDerWaalsContact C-N 3.3Å; Q434-E436 PolarHBondContact O-N 3.08Å; E436-D438 PolarHBondContact O-N 3.16Å; E436-K439 PolarHBondContact O-N 3.05Å; E436-K439 WeakPolarHBondContact OE2-CD 3.36Å; E436-K439 IonicContact OE2-NZ 3.64Å; E436-K439 PolarHBondContact OE2-NZ 2.89Å; E436-I440 HydrophobicContact CG-CD1 4.29Å; E436-I440 WeakPolarHBondContact O-CG1 3.48Å; E436-I440 PolarHBondContact O-N 3.14Å; E436-F448 HydrophobicContact CG-CE1 4.37Å
437	A	95.2	Very high	94	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.4	-36.4	174.6	0	0	0	0	0	112.3	V433 Q434 K439 I440 Q445 F448 R449	V433-A437 PolarHBondContact O-N 2.88Å; Q434-A437 VanDerWaalsContact O-CB 3.31Å; Q434-A437 WeakPolarHBondContact O-CB 3.49Å; Q434-A437 PolarHBondContact O-N 2.96Å; A437-K439 PolarHBondContact O-N 2.89Å; A437-I440 PolarHBondContact O-N 2.96Å; A437-Q445 WeakPolarHBondContact O-CB 3.36Å; A437-F448 HydrophobicContact CB-CB 3.59Å; A437-R449 HydrophobicContact CB-CG 3.68Å
438	D	94.1	Very high	94.1	Very high	101 Å²	101	48.4 Å²	48.4	54%	0.54	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.6	179	-65.1	-25.7	0	0	0	113.6	Q434 E436 R449	Q434-D438 PolarHBondContact O-N 2.84Å; E436-D438 PolarHBondContact O-N 3.16Å; D438-R449 IonicContact OD1-CZ 2.86Å; D438-R449 IonicContact OD1-NE 2.71Å; D438-R449 IonicContact OD1-NH2 3.67Å; D438-R449 PolarHBondContact OD1-NH2 2.78Å
439	K	94.4	Very high	94.1	Very high	140 Å²	140	52.2 Å²	52.2	61%	0.609	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-20.2	178.1	-56.4	178.2	-156.9	153.8	0	112.8	E436 A437 P441	E436-K439 PolarHBondContact O-N 3.05Å; E436-K439 WeakPolarHBondContact OE2-CD 3.36Å; E436-K439 IonicContact OE2-NZ 3.64Å; E436-K439 PolarHBondContact OE2-NZ 2.89Å; A437-K439 PolarHBondContact O-N 2.89Å; K439-P441 WeakPolarHBondContact O-CD 3.16Å
440	I	91.8	Very high	94.1	Very high	29 Å²	29	52.4 Å²	52.4	15%	0.149	27%	0.267	C	S	.	.	S	Bend	trans	-83.9	117.2	-176.3	-65	168.4	0	0	0	109.4	E436 A437 E444 Q445 F448	E436-I440 HydrophobicContact CG-CD1 4.29Å; E436-I440 WeakPolarHBondContact O-CG1 3.48Å; E436-I440 PolarHBondContact O-N 3.14Å; A437-I440 PolarHBondContact O-N 2.96Å; I440-E444 HydrophobicContact CG2-CB 3.9Å; I440-E444 HydrophobicContact CG2-CG 4.17Å; I440-Q445 WeakPolarHBondContact O-CB 3.31Å; I440-F448 HydrophobicContact CD1-CD1 3.77Å; I440-F448 HydrophobicContact CD1-CD2 3.81Å; I440-F448 HydrophobicContact CD1-CE1 3.6Å; I440-F448 HydrophobicContact CD1-CE2 3.63Å; I440-F448 HydrophobicContact CD1-CG 3.88Å; I440-F448 HydrophobicContact CD1-CZ 3.52Å
441	P	88.1	Confident	94.2	Very high	119 Å²	119	52.4 Å²	52.4	77%	0.773	27%	0.267	S	S	*	.			trans	-76	147.1	173.5	31.2	-33.6	0	0	0	111.4	K439	K439-P441 WeakPolarHBondContact O-CD 3.16Å
442	G	88.4	Confident	94.3	Very high	45 Å²	45	51.2 Å²	51.2	46%	0.464	26%	0.261	S	S	.	.	S	Bend	trans	95.9	-158.4	169.3	0	0	0	0	0	114.8	E444 Q445	G442-E444 VanDerWaalsContact C-N 3.3Å; G442-E444 PolarHBondContact O-N 2.76Å; G442-Q445 VanDerWaalsContact O-CG 3.24Å; G442-Q445 WeakPolarHBondContact O-CG 3.41Å; G442-Q445 PolarHBondContact O-NE2 3.46Å
443	L	87.3	Confident	94.4	Very high	88 Å²	88	52.6 Å²	52.6	46%	0.461	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.3	-173.3	-67.8	172.9	0	0	0	113.5	Q445 Y446	L443-Q445 VanDerWaalsContact C-N 3.27Å; L443-Q445 PolarHBondContact O-N 3.23Å; L443-Y446 HydrophobicContact CD2-CD2 4.38Å; L443-Y446 HydrophobicContact CD2-CE2 4.31Å; L443-Y446 PolarHBondContact O-N 3.26Å
444	E	89.2	Confident	94.5	Very high	59 Å²	59	52.6 Å²	52.6	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-65.4	-30.9	-177.8	-173.5	170.5	178.5	0	0	112.3	K139 I440 G442 Y446 S447 F448	K139-E444 WeakPolarHBondContact CD-OE1 3.45Å; K139-E444 WeakPolarHBondContact CE-OE1 3.37Å; K139-E444 VanDerWaalsContact NZ-CD 3.31Å; K139-E444 IonicContact NZ-OE1 3.64Å; K139-E444 PolarHBondContact NZ-OE1 3.48Å; K139-E444 IonicContact NZ-OE2 3.39Å; K139-E444 PolarHBondContact NZ-OE2 2.79Å; K139-E444 VanDerWaalsContact NZ-OE2 3.17Å; I440-E444 HydrophobicContact CG2-CB 3.9Å; I440-E444 HydrophobicContact CG2-CG 4.17Å; G442-E444 VanDerWaalsContact C-N 3.3Å; G442-E444 PolarHBondContact O-N 2.76Å; E444-Y446 PolarHBondContact O-N 3.22Å; E444-Y446 VanDerWaalsContact O-N 3.12Å; E444-S447 WeakPolarHBondContact O-CB 3.44Å; E444-S447 PolarHBondContact O-N 2.83Å; E444-F448 HydrophobicContact CG-CD2 4.12Å; E444-F448 HydrophobicContact CG-CE2 3.93Å; E444-F448 PolarHBondContact O-N 3.24Å
445	Q	94.6	Very high	94.6	Very high	45 Å²	45	50.1 Å²	50.1	21%	0.21	26%	0.256	C	S	.	.	H	α-helix	trans	-52.1	-38.3	175.9	79.4	-173.7	-51.2	0	0	112.2	A437 I440 G442 L443 S447 F448 R449	A437-Q445 WeakPolarHBondContact O-CB 3.36Å; I440-Q445 WeakPolarHBondContact O-CB 3.31Å; G442-Q445 VanDerWaalsContact O-CG 3.24Å; G442-Q445 WeakPolarHBondContact O-CG 3.41Å; G442-Q445 PolarHBondContact O-NE2 3.46Å; L443-Q445 VanDerWaalsContact C-N 3.27Å; L443-Q445 PolarHBondContact O-N 3.23Å; Q445-S447 VanDerWaalsContact C-N 3.29Å; Q445-S447 PolarHBondContact O-N 2.89Å; Q445-F448 PolarHBondContact O-N 2.85Å; Q445-R449 WeakPolarHBondContact O-CG 3.35Å; Q445-R449 PolarHBondContact O-N 2.8Å
446	Y	95.7	Very high	94.7	Very high	89 Å²	89	45.9 Å²	45.9	35%	0.349	24%	0.236	S	C	.	.	H	α-helix	trans	-69	-30.4	-177.9	-64.7	-71.5	0	0	0	112.1	I128 L443 E444 A450	I128-Y446 HydrophobicContact CD1-CD2 3.98Å; I128-Y446 HydrophobicContact CD1-CG 4.09Å; L443-Y446 HydrophobicContact CD2-CD2 4.38Å; L443-Y446 HydrophobicContact CD2-CE2 4.31Å; L443-Y446 PolarHBondContact O-N 3.26Å; E444-Y446 PolarHBondContact O-N 3.22Å; E444-Y446 VanDerWaalsContact O-N 3.12Å; Y446-A450 WeakPolarHBondContact O-CB 3.43Å; Y446-A450 PolarHBondContact O-N 2.93Å
447	S	95.9	Very high	94.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-38.4	176.7	-53.6	0	0	0	0	110.9	Y137 E444 Q445 F451	Y137-S447 WeakPolarHBondContact CD1-O 3.44Å; Y137-S447 VanDerWaalsContact CE1-O 3.28Å; Y137-S447 WeakPolarHBondContact CE1-O 3.21Å; E444-S447 WeakPolarHBondContact O-CB 3.44Å; E444-S447 PolarHBondContact O-N 2.83Å; Q445-S447 VanDerWaalsContact C-N 3.29Å; Q445-S447 PolarHBondContact O-N 2.89Å; S447-F451 WeakPolarHBondContact O-CB 3.44Å; S447-F451 PolarHBondContact O-N 2.95Å
448	F	97.5	Very high	94.7	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.044	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-46	173.5	-84.1	-116.7	0	0	0	111.6	K139 A140 L143 V433 E436 A437 I440 E444 Q445 A450 F451 A452	K139-F448 HydrophobicContact CB-CE2 3.98Å; K139-F448 HydrophobicContact CB-CZ 3.71Å; A140-F448 HydrophobicContact CB-CD1 3.98Å; A140-F448 HydrophobicContact CB-CD2 4.31Å; A140-F448 HydrophobicContact CB-CE1 4.11Å; A140-F448 HydrophobicContact CB-CE2 4.43Å; A140-F448 HydrophobicContact CB-CG 4.08Å; A140-F448 HydrophobicContact CB-CZ 4.34Å; L143-F448 HydrophobicContact CD2-CE1 4.27Å; V433-F448 HydrophobicContact CG1-CB 4.16Å; V433-F448 HydrophobicContact CG1-CD1 3.99Å; V433-F448 HydrophobicContact CG1-CG 4.45Å; V433-F448 VanDerWaalsContact CG1-O 3.26Å; V433-F448 WeakPolarHBondContact CG1-O 3.47Å; E436-F448 HydrophobicContact CG-CE1 4.37Å; A437-F448 HydrophobicContact CB-CB 3.59Å; I440-F448 HydrophobicContact CD1-CD1 3.77Å; I440-F448 HydrophobicContact CD1-CD2 3.81Å; I440-F448 HydrophobicContact CD1-CE1 3.6Å; I440-F448 HydrophobicContact CD1-CE2 3.63Å; I440-F448 HydrophobicContact CD1-CG 3.88Å; I440-F448 HydrophobicContact CD1-CZ 3.52Å; E444-F448 HydrophobicContact CG-CD2 4.12Å; E444-F448 HydrophobicContact CG-CE2 3.93Å; E444-F448 PolarHBondContact O-N 3.24Å; Q445-F448 PolarHBondContact O-N 2.85Å; F448-A450 PolarHBondContact O-N 2.89Å; F448-F451 WeakPolarHBondContact O-CB 3.49Å; F448-F451 PolarHBondContact O-N 2.93Å; F448-F451 VanDerWaalsContact O-N 3.16Å; F448-A452 PolarHBondContact O-N 2.95Å
449	R	97	Very high	94.8	Very high	90 Å²	90	39.3 Å²	39.3	34%	0.34	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-46.7	176.1	-65.9	-169.5	177.1	-172.5	-1.2	112	A437 D438 Q445 F451 A452 D453	A437-R449 HydrophobicContact CB-CG 3.68Å; D438-R449 IonicContact OD1-CZ 2.86Å; D438-R449 IonicContact OD1-NE 2.71Å; D438-R449 IonicContact OD1-NH2 3.67Å; D438-R449 PolarHBondContact OD1-NH2 2.78Å; Q445-R449 WeakPolarHBondContact O-CG 3.35Å; Q445-R449 PolarHBondContact O-N 2.8Å; R449-F451 VanDerWaalsContact C-N 3.27Å; R449-F451 PolarHBondContact O-N 2.84Å; R449-A452 WeakPolarHBondContact O-CB 3.4Å; R449-A452 PolarHBondContact O-N 3.03Å; R449-A452 VanDerWaalsContact O-N 3.15Å; R449-D453 PolarHBondContact O-N 2.85Å
450	A	97.5	Very high	94.9	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-35.7	175.4	0	0	0	0	0	113	Q119 L123 Y137 Y446 F448 A454	Q119-A450 HydrophobicContact CB-CB 3.92Å; Q119-A450 WeakPolarHBondContact CB-O 3.46Å; Q119-A450 WeakPolarHBondContact CG-O 3.23Å; L123-A450 HydrophobicContact CD1-CB 3.62Å; L123-A450 HydrophobicContact CD2-CB 4.39Å; L123-A450 HydrophobicContact CG-CB 4.11Å; Y137-A450 HydrophobicContact CE1-CB 3.93Å; Y446-A450 WeakPolarHBondContact O-CB 3.43Å; Y446-A450 PolarHBondContact O-N 2.93Å; F448-A450 PolarHBondContact O-N 2.89Å; A450-A454 WeakPolarHBondContact O-CB 3.38Å; A450-A454 PolarHBondContact O-N 3.42Å
451	F	98.2	Very high	95	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.8	-43.4	174.1	-169.3	-86.3	0	0	0	111.8	L116 Y137 A140 C141 A144 V433 S447 F448 R449 A454 L455 T520	L116-F451 HydrophobicContact CD1-CE2 4.38Å; L116-F451 HydrophobicContact CD2-CD2 3.38Å; L116-F451 HydrophobicContact CD2-CE2 3.7Å; L116-F451 HydrophobicContact CD2-CG 4.15Å; Y137-F451 HydrophobicContact CD1-CB 3.99Å; Y137-F451 HydrophobicContact CD1-CD2 4.01Å; Y137-F451 HydrophobicContact CE1-CB 4.16Å; Y137-F451 HydrophobicContact CG-CD2 4.07Å; A140-F451 HydrophobicContact CB-CB 3.75Å; A140-F451 HydrophobicContact CB-CD1 3.77Å; A140-F451 HydrophobicContact CB-CD2 4.09Å; A140-F451 HydrophobicContact CB-CE1 4.39Å; A140-F451 HydrophobicContact CB-CG 3.59Å; C141-F451 HydrophobicContact CB-CE2 3.92Å; C141-F451 HydrophobicContact CB-CZ 3.69Å; A144-F451 HydrophobicContact CB-CE1 4.17Å; V433-F451 HydrophobicContact CG1-CB 4.48Å; V433-F451 HydrophobicContact CG1-CD1 4.23Å; V433-F451 HydrophobicContact CG2-CD1 4.36Å; S447-F451 WeakPolarHBondContact O-CB 3.44Å; S447-F451 PolarHBondContact O-N 2.95Å; F448-F451 WeakPolarHBondContact O-CB 3.49Å; F448-F451 PolarHBondContact O-N 2.93Å; F448-F451 VanDerWaalsContact O-N 3.16Å; R449-F451 VanDerWaalsContact C-N 3.27Å; R449-F451 PolarHBondContact O-N 2.84Å; F451-A454 WeakPolarHBondContact O-CB 3.48Å; F451-A454 PolarHBondContact O-N 2.66Å; F451-L455 HydrophobicContact CD1-CD1 3.91Å; F451-L455 HydrophobicContact CD1-CG 4.12Å; F451-L455 HydrophobicContact CE1-CD1 3.7Å; F451-L455 HydrophobicContact CE1-CD2 4.2Å; F451-L455 HydrophobicContact CE1-CG 3.9Å; F451-L455 PolarHBondContact O-N 3.05Å; F451-T520 HydrophobicContact CE2-CG2 4.33Å; F451-T520 WeakPolarHBondContact CE2-OG1 3.33Å
452	A	97.5	Very high	95.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-45.9	174.5	0	0	0	0	0	111.6	A430 V433 Q434 F448 R449 A454 L455 E456	A430-A452 HydrophobicContact CB-CB 4.25Å; A430-A452 WeakPolarHBondContact O-CB 3.17Å; V433-A452 HydrophobicContact CB-CB 4.24Å; V433-A452 HydrophobicContact CG1-CB 4.09Å; Q434-A452 HydrophobicContact CB-CB 4.23Å; F448-A452 PolarHBondContact O-N 2.95Å; R449-A452 WeakPolarHBondContact O-CB 3.4Å; R449-A452 PolarHBondContact O-N 3.03Å; R449-A452 VanDerWaalsContact O-N 3.15Å; A452-A454 VanDerWaalsContact C-N 3.26Å; A452-A454 PolarHBondContact O-N 2.9Å; A452-L455 WeakPolarHBondContact O-CB 3.3Å; A452-L455 PolarHBondContact O-N 2.88Å; A452-L455 VanDerWaalsContact O-N 3.15Å; A452-E456 WeakPolarHBondContact O-CG 3.44Å; A452-E456 PolarHBondContact O-N 2.9Å; A452-E456 VanDerWaalsContact O-N 3.13Å
453	D	97.5	Very high	95.5	Very high	62 Å²	62	26.2 Å²	26.2	33%	0.332	12%	0.123	S	C	.	.	H	α-helix	trans	-61.8	-33.9	176.1	-67.2	-27.2	0	0	0	112	Q119 R449 S457	Q119-D453 HydrophobicContact CG-CB 4.28Å; R449-D453 PolarHBondContact O-N 2.85Å; D453-S457 PolarHBondContact O-N 2.96Å
454	A	97.9	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.4	-38.9	174.8	0	0	0	0	0	112.4	A115 L116 Q119 A450 F451 A452 E456 S457	A115-A454 HydrophobicContact CB-CB 4.15Å; L116-A454 HydrophobicContact CB-CB 4.45Å; L116-A454 HydrophobicContact CD2-CB 3.57Å; L116-A454 HydrophobicContact CG-CB 3.88Å; Q119-A454 HydrophobicContact CG-CB 4.07Å; A450-A454 WeakPolarHBondContact O-CB 3.38Å; A450-A454 PolarHBondContact O-N 3.42Å; F451-A454 WeakPolarHBondContact O-CB 3.48Å; F451-A454 PolarHBondContact O-N 2.66Å; A452-A454 VanDerWaalsContact C-N 3.26Å; A452-A454 PolarHBondContact O-N 2.9Å; A454-E456 VanDerWaalsContact C-N 3.27Å; A454-E456 PolarHBondContact O-N 2.84Å; A454-S457 WeakPolarHBondContact O-CB 3.45Å; A454-S457 PolarHBondContact O-N 3.14Å; A454-S457 VanDerWaalsContact O-N 3.13Å; A454-S457 PolarHBondContact O-OG 2.88Å
455	L	98	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-39.3	173.8	-73.9	174.5	0	0	0	111.4	L112 C429 A430 F451 A452 S457 I458 P459 F516	L112-L455 HydrophobicContact CD1-CD2 4.15Å; L112-L455 HydrophobicContact CD2-CD2 4.48Å; C429-L455 HydrophobicContact CB-CD1 3.75Å; A430-L455 HydrophobicContact CB-CB 3.93Å; A430-L455 HydrophobicContact CB-CD1 4.25Å; F451-L455 HydrophobicContact CD1-CD1 3.91Å; F451-L455 HydrophobicContact CD1-CG 4.12Å; F451-L455 HydrophobicContact CE1-CD1 3.7Å; F451-L455 HydrophobicContact CE1-CD2 4.2Å; F451-L455 HydrophobicContact CE1-CG 3.9Å; F451-L455 PolarHBondContact O-N 3.05Å; A452-L455 WeakPolarHBondContact O-CB 3.3Å; A452-L455 PolarHBondContact O-N 2.88Å; A452-L455 VanDerWaalsContact O-N 3.15Å; L455-S457 PolarHBondContact O-N 3.32Å; L455-I458 PolarHBondContact O-N 3.1Å; L455-P459 WeakPolarHBondContact O-CD 3.36Å; L455-F516 HydrophobicContact CD2-CD1 4.35Å; L455-F516 HydrophobicContact CD2-CD2 4.22Å; L455-F516 HydrophobicContact CD2-CE1 3.83Å; L455-F516 HydrophobicContact CD2-CE2 3.68Å; L455-F516 HydrophobicContact CD2-CZ 3.48Å; L455-F516 VanDerWaalsContact CD2-CZ 3.48Å
456	E	96.8	Very high	95.7	Very high	19 Å²	19	24 Å²	24	9%	0.089	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-18	177.7	-69	176	-157.8	0	0	113.8	L427 A430 A452 A454 I458 P459 M460 K478	L427-E456 HydrophobicContact CD1-CG 4.08Å; A430-E456 HydrophobicContact CB-CG 3.77Å; A452-E456 WeakPolarHBondContact O-CG 3.44Å; A452-E456 PolarHBondContact O-N 2.9Å; A452-E456 VanDerWaalsContact O-N 3.13Å; A454-E456 VanDerWaalsContact C-N 3.27Å; A454-E456 PolarHBondContact O-N 2.84Å; E456-I458 PolarHBondContact O-N 2.78Å; E456-P459 VanDerWaalsContact O-CD 3.27Å; E456-P459 WeakPolarHBondContact O-CD 3.37Å; E456-P459 WeakPolarHBondContact O-CG 3.43Å; E456-M460 HydrophobicContact CB-CE 4.1Å; E456-M460 WeakPolarHBondContact O-CB 3.48Å; E456-M460 VanDerWaalsContact O-CG 3.3Å; E456-M460 WeakPolarHBondContact O-CG 3.18Å; E456-M460 PolarHBondContact O-N 2.82Å; E456-K478 WeakPolarHBondContact OE1-CE 3.48Å; E456-K478 IonicContact OE1-NZ 2.93Å; E456-K478 PolarHBondContact OE1-NZ 3.47Å; E456-K478 VanDerWaalsContact OE2-CE 3.27Å; E456-K478 WeakPolarHBondContact OE2-CE 3.43Å; E456-K478 IonicContact OE2-NZ 3.99Å; E456-K478 PolarHBondContact OE2-NZ 3.28Å
457	S	95.7	Very high	95.5	Very high	16 Å²	16	23.1 Å²	23.1	11%	0.112	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-28.3	176.3	75.2	0	0	0	0	113.6	A115 D453 A454 L455 T461	A115-S457 WeakPolarHBondContact CB-OG 3.25Å; D453-S457 PolarHBondContact O-N 2.96Å; A454-S457 WeakPolarHBondContact O-CB 3.45Å; A454-S457 PolarHBondContact O-N 3.14Å; A454-S457 VanDerWaalsContact O-N 3.13Å; A454-S457 PolarHBondContact O-OG 2.88Å; L455-S457 PolarHBondContact O-N 3.32Å; S457-T461 VanDerWaalsContact O-CB 3.31Å; S457-T461 WeakPolarHBondContact O-CB 3.5Å; S457-T461 PolarHBondContact O-N 2.7Å; S457-T461 PolarHBondContact O-OG1 3.39Å
458	I	96.4	Very high	95.2	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-67.3	-63.1	177.3	-60.7	-59.7	0	0	0	109.9	L52 V111 L112 E426 L455 E456 M460 T461 L462	L52-I458 HydrophobicContact CD2-CD1 4.28Å; L52-I458 HydrophobicContact CD2-CG2 4.3Å; V111-I458 HydrophobicContact CB-CD1 4.06Å; V111-I458 HydrophobicContact CG1-CD1 3.81Å; L112-I458 HydrophobicContact CB-CD1 4.23Å; E426-I458 HydrophobicContact CB-CB 4.43Å; E426-I458 HydrophobicContact CG-CB 3.96Å; E426-I458 HydrophobicContact CG-CG1 4.15Å; E426-I458 HydrophobicContact CG-CG2 4.05Å; L455-I458 PolarHBondContact O-N 3.1Å; E456-I458 PolarHBondContact O-N 2.78Å; I458-M460 PolarHBondContact O-N 2.89Å; I458-T461 WeakPolarHBondContact O-CB 3.33Å; I458-T461 PolarHBondContact O-N 2.78Å; I458-L462 WeakPolarHBondContact O-CG 3.48Å; I458-L462 PolarHBondContact O-N 3.44Å
459	P	95.8	Very high	95	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-30.2	175.4	21.2	-30.7	0	0	0	113.2	L427 L455 E456 T461 L462 A463 I474 V491	L427-P459 HydrophobicContact CB-CG 4.49Å; L455-P459 WeakPolarHBondContact O-CD 3.36Å; E456-P459 VanDerWaalsContact O-CD 3.27Å; E456-P459 WeakPolarHBondContact O-CD 3.37Å; E456-P459 WeakPolarHBondContact O-CG 3.43Å; P459-T461 VanDerWaalsContact C-N 3.34Å; P459-T461 PolarHBondContact O-N 2.96Å; P459-L462 PolarHBondContact O-N 2.72Å; P459-A463 WeakPolarHBondContact O-CB 3.42Å; P459-A463 PolarHBondContact O-N 2.91Å; P459-I474 HydrophobicContact CB-CD1 4.4Å; P459-I474 HydrophobicContact CB-CG1 4.4Å; P459-I474 HydrophobicContact CG-CD1 4.32Å; P459-V491 HydrophobicContact CB-CG2 3.86Å
460	M	95.2	Very high	94.7	Very high	47 Å²	47	26.3 Å²	26.3	23%	0.232	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-47.7	172.7	-80.8	-168.4	-86.7	0	0	111.3	E456 I458 L462 A463 E464 P470 L471 I474	E456-M460 HydrophobicContact CB-CE 4.1Å; E456-M460 WeakPolarHBondContact O-CB 3.48Å; E456-M460 VanDerWaalsContact O-CG 3.3Å; E456-M460 WeakPolarHBondContact O-CG 3.18Å; E456-M460 PolarHBondContact O-N 2.82Å; I458-M460 PolarHBondContact O-N 2.89Å; M460-L462 VanDerWaalsContact C-N 3.34Å; M460-A463 PolarHBondContact O-N 3.12Å; M460-E464 WeakPolarHBondContact O-CB 3.49Å; M460-E464 PolarHBondContact O-N 2.84Å; M460-P470 HydrophobicContact CB-CB 4.28Å; M460-P470 HydrophobicContact CG-CB 4.34Å; M460-L471 HydrophobicContact SD-CD2 4.49Å; M460-I474 HydrophobicContact CB-CD1 3.94Å; M460-I474 HydrophobicContact CG-CD1 3.03Å; M460-I474 HydrophobicContact CG-CG1 4.39Å; M460-I474 HydrophobicContact SD-CD1 4.32Å
461	T	95	Very high	94.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-40.3	179.6	-62.8	0	0	0	0	111.1	R49 L52 S457 I458 P459 A463 E464 N465	R49-T461 HydrophobicContact CB-CG2 4.47Å; R49-T461 HydrophobicContact CG-CG2 3.36Å; R49-T461 PolarHBondContact NE-OG1 3.3Å; R49-T461 VanDerWaalsContact NE-OG1 3.08Å; R49-T461 WeakPolarHBondContact O-CG2 3.42Å; L52-T461 HydrophobicContact CB-CG2 3.98Å; L52-T461 HydrophobicContact CD2-CG2 3.79Å; S457-T461 VanDerWaalsContact O-CB 3.31Å; S457-T461 WeakPolarHBondContact O-CB 3.5Å; S457-T461 PolarHBondContact O-N 2.7Å; S457-T461 PolarHBondContact O-OG1 3.39Å; I458-T461 WeakPolarHBondContact O-CB 3.33Å; I458-T461 PolarHBondContact O-N 2.78Å; P459-T461 VanDerWaalsContact C-N 3.34Å; P459-T461 PolarHBondContact O-N 2.96Å; T461-A463 PolarHBondContact O-N 3.14Å; T461-E464 PolarHBondContact O-N 2.82Å; T461-N465 WeakPolarHBondContact O-CB 3.34Å; T461-N465 VanDerWaalsContact O-CG 3.23Å; T461-N465 PolarHBondContact O-N 2.88Å
462	L	93.4	Very high	94.3	Very high	9 Å²	9	35 Å²	35	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-45.6	175.7	-63.2	-174.6	0	0	0	112	L52 G53 G423 I458 P459 M460 S466 V491	L52-L462 HydrophobicContact CD2-CD2 3.9Å; L52-L462 HydrophobicContact CD2-CG 4.46Å; L52-L462 HydrophobicContact CG-CD2 3.83Å; G53-L462 WeakPolarHBondContact O-CD2 3.33Å; G423-L462 VanDerWaalsContact N-CD1 3.33Å; I458-L462 WeakPolarHBondContact O-CG 3.48Å; I458-L462 PolarHBondContact O-N 3.44Å; P459-L462 PolarHBondContact O-N 2.72Å; M460-L462 VanDerWaalsContact C-N 3.34Å; L462-S466 VanDerWaalsContact O-CB 3.29Å; L462-S466 WeakPolarHBondContact O-CB 3.11Å; L462-S466 PolarHBondContact O-N 3.3Å; L462-S466 PolarHBondContact O-OG 3.01Å; L462-V491 HydrophobicContact CB-CB 4.17Å; L462-V491 HydrophobicContact CB-CG1 4.21Å; L462-V491 HydrophobicContact CB-CG2 4.2Å
463	A	93.4	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-45.3	178.1	0	0	0	0	0	111	P459 M460 T461 S466 G467 L468 P470 T473 V491	P459-A463 WeakPolarHBondContact O-CB 3.42Å; P459-A463 PolarHBondContact O-N 2.91Å; M460-A463 PolarHBondContact O-N 3.12Å; T461-A463 PolarHBondContact O-N 3.14Å; A463-S466 CarbonylContact O-C 3.31Å; A463-S466 PolarHBondContact O-N 3.37Å; A463-G467 PolarHBondContact O-N 3.2Å; A463-L468 HydrophobicContact CB-CB 4.16Å; A463-L468 WeakPolarHBondContact O-CA 3.34Å; A463-L468 WeakPolarHBondContact O-CB 3.28Å; A463-L468 PolarHBondContact O-N 3.15Å; A463-P470 HydrophobicContact CB-CB 4.4Å; A463-T473 HydrophobicContact CB-CG2 4.19Å; A463-V491 HydrophobicContact CB-CG1 4.03Å; A463-V491 HydrophobicContact CB-CG2 4.44Å
464	E	93.3	Very high	93.8	Very high	94 Å²	94	33.4 Å²	33.4	44%	0.439	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-49	177.2	-172.7	175.5	-165.1	0	0	112.3	R49 M460 T461 S466 G467 P470	R49-E464 IonicContact CZ-OE2 3.77Å; R49-E464 IonicContact NE-OE2 2.61Å; R49-E464 PolarHBondContact NE-OE2 3.12Å; R49-E464 IonicContact NH1-OE2 2.86Å; R49-E464 IonicContact NH2-OE2 2.75Å; R49-E464 PolarHBondContact NH2-OE2 2.9Å; M460-E464 WeakPolarHBondContact O-CB 3.49Å; M460-E464 PolarHBondContact O-N 2.84Å; T461-E464 PolarHBondContact O-N 2.82Å; E464-S466 PolarHBondContact O-N 2.88Å; E464-G467 PolarHBondContact O-N 3.09Å; E464-P470 HydrophobicContact CB-CG 3.84Å; E464-P470 HydrophobicContact CG-CG 4.47Å
465	N	92.1	Very high	93.6	Very high	32 Å²	32	36.3 Å²	36.3	17%	0.171	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-27	178.5	-68.3	-11.5	0	0	0	111.9	R49 L52 C55 T461 G467	R49-N465 PolarHBondContact O-ND2 3.38Å; L52-N465 PolarHBondContact O-ND2 3.27Å; C55-N465 VanDerWaalsContact CB-O 3.31Å; C55-N465 WeakPolarHBondContact CB-O 3.32Å; T461-N465 WeakPolarHBondContact O-CB 3.34Å; T461-N465 VanDerWaalsContact O-CG 3.23Å; T461-N465 PolarHBondContact O-N 2.88Å; N465-G467 VanDerWaalsContact C-N 3.3Å
466	S	90.3	Very high	93.4	Very high	19 Å²	19	41.1 Å²	41.1	13%	0.133	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3.1	175.7	-52.1	0	0	0	0	113.6	L462 A463 E464 L468	L462-S466 VanDerWaalsContact O-CB 3.29Å; L462-S466 WeakPolarHBondContact O-CB 3.11Å; L462-S466 PolarHBondContact O-N 3.3Å; L462-S466 PolarHBondContact O-OG 3.01Å; A463-S466 CarbonylContact O-C 3.31Å; A463-S466 PolarHBondContact O-N 3.37Å; E464-S466 PolarHBondContact O-N 2.88Å; S466-L468 VanDerWaalsContact C-N 3.27Å; S466-L468 PolarHBondContact O-N 3.35Å
467	G	90.2	Very high	93.2	Very high	71 Å²	71	40.3 Å²	40.3	73%	0.732	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	13.7	-179.3	0	0	0	0	0	114.7	A463 E464 N465	A463-G467 PolarHBondContact O-N 3.2Å; E464-G467 PolarHBondContact O-N 3.09Å; N465-G467 VanDerWaalsContact C-N 3.3Å
468	L	91.1	Very high	93	Very high	58 Å²	58	42.4 Å²	42.4	30%	0.304	26%	0.258	S	S	.	.	S	Bend	trans	-88.8	161.2	175.9	-58.9	179.5	0	0	0	111.1	A463 S466 P470 T473 V491 A492	A463-L468 HydrophobicContact CB-CB 4.16Å; A463-L468 WeakPolarHBondContact O-CA 3.34Å; A463-L468 WeakPolarHBondContact O-CB 3.28Å; A463-L468 PolarHBondContact O-N 3.15Å; S466-L468 VanDerWaalsContact C-N 3.27Å; S466-L468 PolarHBondContact O-N 3.35Å; L468-P470 WeakPolarHBondContact O-CD 3.46Å; L468-T473 HydrophobicContact CD1-CG2 4.41Å; L468-V491 HydrophobicContact CD1-CG1 4.07Å; L468-A492 VanDerWaalsContact CD1-O 3.25Å; L468-A492 WeakPolarHBondContact CD1-O 3.35Å
469	S	92.4	Very high	92.8	Very high	73 Å²	73	48 Å²	48	51%	0.51	28%	0.282	S	S	.	.			trans	-76	110.9	173.2	176.4	0	0	0	0	110.2	L471 A472 T473	S469-L471 PolarHBondContact O-N 2.83Å; S469-A472 PolarHBondContact O-N 3.23Å; S469-T473 WeakPolarHBondContact O-CB 3.49Å; S469-T473 PolarHBondContact O-N 3.39Å; S469-T473 PolarHBondContact O-OG1 2.9Å
470	P	91.8	Very high	92.7	Very high	37 Å²	37	49.6 Å²	49.6	24%	0.24	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-44.9	-168.6	-26.7	37.1	0	0	0	113.5	M460 A463 E464 L468 I474	M460-P470 HydrophobicContact CB-CB 4.28Å; M460-P470 HydrophobicContact CG-CB 4.34Å; A463-P470 HydrophobicContact CB-CB 4.4Å; E464-P470 HydrophobicContact CB-CG 3.84Å; E464-P470 HydrophobicContact CG-CG 4.47Å; L468-P470 WeakPolarHBondContact O-CD 3.46Å; P470-I474 VanDerWaalsContact O-CG1 3.32Å; P470-I474 WeakPolarHBondContact O-CG1 3.45Å; P470-I474 PolarHBondContact O-N 2.93Å; P470-I474 VanDerWaalsContact O-N 3.14Å
471	L	92.6	Very high	92.5	Very high	133 Å²	133	47.7 Å²	47.7	70%	0.696	28%	0.28	S	S	*	.	H	α-helix	trans	-70.4	-40.2	-178	-67	176	0	0	0	112.4	M460 S469 A475	M460-L471 HydrophobicContact SD-CD2 4.49Å; S469-L471 PolarHBondContact O-N 2.83Å; L471-A475 WeakPolarHBondContact O-CB 3.47Å; L471-A475 PolarHBondContact O-N 3.27Å
472	A	93.3	Very high	92.2	Very high	55 Å²	55	51.8 Å²	51.8	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-67.2	-45.6	179.9	0	0	0	0	0	110.8	S469 I474 A475 E476	S469-A472 PolarHBondContact O-N 3.23Å; A472-I474 PolarHBondContact O-N 2.95Å; A472-A475 PolarHBondContact O-N 2.85Å; A472-E476 WeakPolarHBondContact O-CB 3.43Å; A472-E476 PolarHBondContact O-N 3.07Å
473	T	92.2	Very high	92.1	Very high	20 Å²	20	57.4 Å²	57.4	12%	0.123	33%	0.331	C	S	.	.	H	α-helix	trans	-59.2	-46.1	178.2	-60.3	0	0	0	0	111.3	A463 L468 S469 E476 L477 V491	A463-T473 HydrophobicContact CB-CG2 4.19Å; L468-T473 HydrophobicContact CD1-CG2 4.41Å; S469-T473 WeakPolarHBondContact O-CB 3.49Å; S469-T473 PolarHBondContact O-N 3.39Å; S469-T473 PolarHBondContact O-OG1 2.9Å; T473-E476 PolarHBondContact O-N 2.85Å; T473-L477 HydrophobicContact CG2-CD1 3.79Å; T473-L477 HydrophobicContact CG2-CG 4.31Å; T473-L477 WeakPolarHBondContact O-CB 2.99Å; T473-L477 VanDerWaalsContact O-CG 3.23Å; T473-L477 WeakPolarHBondContact O-CG 3.47Å; T473-L477 PolarHBondContact O-N 3.39Å; T473-V491 HydrophobicContact CG2-CG1 4.35Å; T473-V491 HydrophobicContact CG2-CG2 4.19Å
474	I	93.4	Very high	91.8	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.036	36%	0.357	C	S	.	.	H	α-helix	trans	-67	-43.9	179.6	-70.2	178.1	0	0	0	112.1	L427 P459 M460 P470 A472 E476 L477 K478	L427-I474 HydrophobicContact CD1-CG2 3.96Å; P459-I474 HydrophobicContact CB-CD1 4.4Å; P459-I474 HydrophobicContact CB-CG1 4.4Å; P459-I474 HydrophobicContact CG-CD1 4.32Å; M460-I474 HydrophobicContact CB-CD1 3.94Å; M460-I474 HydrophobicContact CG-CD1 3.03Å; M460-I474 HydrophobicContact CG-CG1 4.39Å; M460-I474 HydrophobicContact SD-CD1 4.32Å; P470-I474 VanDerWaalsContact O-CG1 3.32Å; P470-I474 WeakPolarHBondContact O-CG1 3.45Å; P470-I474 PolarHBondContact O-N 2.93Å; P470-I474 VanDerWaalsContact O-N 3.14Å; A472-I474 PolarHBondContact O-N 2.95Å; I474-E476 VanDerWaalsContact C-N 3.26Å; I474-E476 PolarHBondContact O-N 3.39Å; I474-L477 PolarHBondContact O-N 3.19Å; I474-K478 HydrophobicContact CG2-CD 4.06Å; I474-K478 HydrophobicContact CG2-CG 4.19Å; I474-K478 WeakPolarHBondContact O-CB 3.47Å; I474-K478 VanDerWaalsContact O-CG 3.32Å; I474-K478 WeakPolarHBondContact O-CG 3.31Å; I474-K478 PolarHBondContact O-N 3.37Å
475	A	93.3	Very high	91.4	Very high	62 Å²	62	66.9 Å²	66.9	51%	0.512	37%	0.372	S	S	.	.	H	α-helix	trans	-59.1	-41.6	178.3	0	0	0	0	0	111.3	L471 A472 K479	L471-A475 WeakPolarHBondContact O-CB 3.47Å; L471-A475 PolarHBondContact O-N 3.27Å; A472-A475 PolarHBondContact O-N 2.85Å; A475-K479 WeakPolarHBondContact O-CB 3.41Å; A475-K479 PolarHBondContact O-N 3.49Å
476	E	92.9	Very high	91.3	Very high	101 Å²	101	68.4 Å²	68.4	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-66.7	-47.2	176	-176.8	168.4	-171.4	0	0	112.4	A472 T473 I474 K479 K480	A472-E476 WeakPolarHBondContact O-CB 3.43Å; A472-E476 PolarHBondContact O-N 3.07Å; T473-E476 PolarHBondContact O-N 2.85Å; I474-E476 VanDerWaalsContact C-N 3.26Å; I474-E476 PolarHBondContact O-N 3.39Å; E476-K479 WeakPolarHBondContact O-CB 3.48Å; E476-K479 PolarHBondContact O-N 3.32Å; E476-K480 VanDerWaalsContact CD-NZ 3.34Å; E476-K480 HydrophobicContact CG-CD 4.13Å; E476-K480 VanDerWaalsContact CG-CE 3.49Å; E476-K480 WeakPolarHBondContact O-CG 3.39Å; E476-K480 PolarHBondContact O-N 2.97Å; E476-K480 WeakPolarHBondContact OE1-CE 3.29Å; E476-K480 IonicContact OE1-NZ 3.49Å; E476-K480 PolarHBondContact OE1-NZ 3.2Å
477	L	93.4	Very high	91.3	Very high	1 Å²	1	69 Å²	69	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-63.7	-42.7	179.4	-71.9	174.3	0	0	0	112.2	L427 T473 I474 K479 K480 Q481 L489 G490 V491 E498	L427-L477 HydrophobicContact CD2-CB 3.53Å; L427-L477 HydrophobicContact CD2-CD1 4.46Å; T473-L477 HydrophobicContact CG2-CD1 3.79Å; T473-L477 HydrophobicContact CG2-CG 4.31Å; T473-L477 WeakPolarHBondContact O-CB 2.99Å; T473-L477 VanDerWaalsContact O-CG 3.23Å; T473-L477 WeakPolarHBondContact O-CG 3.47Å; T473-L477 PolarHBondContact O-N 3.39Å; I474-L477 PolarHBondContact O-N 3.19Å; L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 2.75Å; L477-K480 PolarHBondContact O-N 3.14Å; L477-Q481 WeakPolarHBondContact O-CG 3.31Å; L477-Q481 PolarHBondContact O-N 2.76Å; L477-L489 HydrophobicContact CD2-CB 4.47Å; L477-G490 VanDerWaalsContact CD2-O 3.25Å; L477-G490 WeakPolarHBondContact CD2-O 3.46Å; L477-V491 HydrophobicContact CD1-CG2 3.85Å; L477-E498 HydrophobicContact CD2-CB 4.14Å; L477-E498 HydrophobicContact CD2-CG 4.04Å
478	K	92.1	Very high	91.4	Very high	60 Å²	60	67.2 Å²	67.2	26%	0.261	35%	0.352	S	S	.	.	H	α-helix	trans	-56.8	-49.7	174.5	-76.6	-178.4	176.9	178.4	0	111	L427 M431 E456 I474 K480 Q481 V482	L427-K478 HydrophobicContact CD1-CD 4.31Å; L427-K478 HydrophobicContact CD1-CG 3.64Å; L427-K478 HydrophobicContact CD2-CG 4.16Å; L427-K478 HydrophobicContact CG-CG 4.07Å; M431-K478 HydrophobicContact CG-CG 4.41Å; M431-K478 HydrophobicContact SD-CB 4.21Å; M431-K478 HydrophobicContact SD-CG 4.21Å; E456-K478 WeakPolarHBondContact OE1-CE 3.48Å; E456-K478 IonicContact OE1-NZ 2.93Å; E456-K478 PolarHBondContact OE1-NZ 3.47Å; E456-K478 VanDerWaalsContact OE2-CE 3.27Å; E456-K478 WeakPolarHBondContact OE2-CE 3.43Å; E456-K478 IonicContact OE2-NZ 3.99Å; E456-K478 PolarHBondContact OE2-NZ 3.28Å; I474-K478 HydrophobicContact CG2-CD 4.06Å; I474-K478 HydrophobicContact CG2-CG 4.19Å; I474-K478 WeakPolarHBondContact O-CB 3.47Å; I474-K478 VanDerWaalsContact O-CG 3.32Å; I474-K478 WeakPolarHBondContact O-CG 3.31Å; I474-K478 PolarHBondContact O-N 3.37Å; K478-K480 VanDerWaalsContact C-N 3.31Å; K478-K480 PolarHBondContact O-N 3.4Å; K478-Q481 PolarHBondContact O-N 3.2Å; K478-V482 WeakPolarHBondContact O-CG2 3.45Å; K478-V482 PolarHBondContact O-N 2.87Å
479	K	92.6	Very high	91.5	Very high	127 Å²	127	64.6 Å²	64.6	55%	0.552	34%	0.338	S	S	*	.	H	α-helix	trans	-56	-48	178	-178.7	-178.6	174.8	-176.2	0	110.6	A475 E476 L477 V482 E483	A475-K479 WeakPolarHBondContact O-CB 3.41Å; A475-K479 PolarHBondContact O-N 3.49Å; E476-K479 WeakPolarHBondContact O-CB 3.48Å; E476-K479 PolarHBondContact O-N 3.32Å; L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 2.75Å; K479-V482 PolarHBondContact O-N 2.81Å; K479-E483 WeakPolarHBondContact CE-OE1 3.28Å; K479-E483 HydrophobicContact CG-CG 4.38Å; K479-E483 IonicContact NZ-OE1 3.93Å; K479-E483 WeakPolarHBondContact O-CB 3.36Å; K479-E483 WeakPolarHBondContact O-CG 3.38Å; K479-E483 PolarHBondContact O-N 3.3Å
480	K	92.1	Very high	91.5	Very high	35 Å²	35	61.1 Å²	61.1	15%	0.152	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-42.4	-179.9	-70	175	-177.4	170.3	0	113.1	E476 L477 K478 V482 R484 L489 E498	E476-K480 VanDerWaalsContact CD-NZ 3.34Å; E476-K480 HydrophobicContact CG-CD 4.13Å; E476-K480 VanDerWaalsContact CG-CE 3.49Å; E476-K480 WeakPolarHBondContact O-CG 3.39Å; E476-K480 PolarHBondContact O-N 2.97Å; E476-K480 WeakPolarHBondContact OE1-CE 3.29Å; E476-K480 IonicContact OE1-NZ 3.49Å; E476-K480 PolarHBondContact OE1-NZ 3.2Å; L477-K480 PolarHBondContact O-N 3.14Å; K478-K480 VanDerWaalsContact C-N 3.31Å; K478-K480 PolarHBondContact O-N 3.4Å; K480-V482 VanDerWaalsContact C-N 3.32Å; K480-V482 PolarHBondContact O-N 2.96Å; K480-R484 VanDerWaalsContact O-CB 3.29Å; K480-R484 WeakPolarHBondContact O-CB 3.33Å; K480-R484 WeakPolarHBondContact O-CG 3.42Å; K480-R484 PolarHBondContact O-N 3.3Å; K480-L489 HydrophobicContact CB-CD1 3.7Å; K480-E498 WeakPolarHBondContact CD-OE2 3.32Å; K480-E498 WeakPolarHBondContact CE-OE2 3.25Å; K480-E498 IonicContact NZ-OE1 3.3Å; K480-E498 PolarHBondContact NZ-OE1 3.47Å; K480-E498 IonicContact NZ-OE2 2.84Å; K480-E498 PolarHBondContact NZ-OE2 3.21Å
481	Q	91.3	Very high	91.5	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.028	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-40.5	177.3	-73.4	-155.1	9.8	0	0	111.3	S424 S428 M431 L477 K478 I485 K486 P487 L489	S424-Q481 PolarHBondContact O-NE2 3.44Å; S428-Q481 PolarHBondContact OG-OE1 3.29Å; M431-Q481 HydrophobicContact CE-CB 3.6Å; M431-Q481 HydrophobicContact CE-CG 4.23Å; M431-Q481 HydrophobicContact SD-CB 4.43Å; L477-Q481 WeakPolarHBondContact O-CG 3.31Å; L477-Q481 PolarHBondContact O-N 2.76Å; K478-Q481 PolarHBondContact O-N 3.2Å; Q481-I485 WeakPolarHBondContact O-CA 3.33Å; Q481-I485 PolarHBondContact O-N 2.86Å; Q481-K486 WeakPolarHBondContact CG-O 3.37Å; Q481-K486 PolarHBondContact O-N 3.39Å; Q481-P487 PolarHBondContact NE2-O 2.78Å; Q481-L489 HydrophobicContact CG-CB 3.95Å; Q481-L489 PolarHBondContact NE2-O 3.16Å
482	V	89.6	Confident	91	Very high	87 Å²	87	54.1 Å²	54.1	53%	0.527	28%	0.278	S	S	.	.	H	α-helix	trans	-69.6	-50.5	177.8	174	0	0	0	0	111.6	M431 K478 K479 K480 R484	M431-V482 HydrophobicContact SD-CG2 3.59Å; M431-V482 VanDerWaalsContact SD-CG2 3.59Å; K478-V482 WeakPolarHBondContact O-CG2 3.45Å; K478-V482 PolarHBondContact O-N 2.87Å; K479-V482 PolarHBondContact O-N 2.81Å; K480-V482 VanDerWaalsContact C-N 3.32Å; K480-V482 PolarHBondContact O-N 2.96Å; V482-R484 VanDerWaalsContact C-N 3.32Å; V482-R484 PolarHBondContact O-N 3.27Å
483	E	90.6	Very high	90.3	Very high	128 Å²	128	54.5 Å²	54.5	60%	0.598	27%	0.274	S	S	*	.	H	α-helix	trans	-64.6	-36.1	-177.1	-74.9	177.9	172.6	0	0	112.5	K479	K479-E483 WeakPolarHBondContact CE-OE1 3.28Å; K479-E483 HydrophobicContact CG-CG 4.38Å; K479-E483 IonicContact NZ-OE1 3.93Å; K479-E483 WeakPolarHBondContact O-CB 3.36Å; K479-E483 WeakPolarHBondContact O-CG 3.38Å; K479-E483 PolarHBondContact O-N 3.3Å
484	R	87.1	Confident	89.1	Confident	145 Å²	145	57.5 Å²	57.5	55%	0.547	30%	0.301	S	S	.	.	H	α-helix	trans	-99.2	-10.8	-175.5	-58.2	-179.3	178.7	-176.2	-0.4	113.7	K480 V482 K486	K480-R484 VanDerWaalsContact O-CB 3.29Å; K480-R484 WeakPolarHBondContact O-CB 3.33Å; K480-R484 WeakPolarHBondContact O-CG 3.42Å; K480-R484 PolarHBondContact O-N 3.3Å; V482-R484 VanDerWaalsContact C-N 3.32Å; V482-R484 PolarHBondContact O-N 3.27Å; R484-K486 HydrophobicContact CB-CB 4.28Å; R484-K486 HydrophobicContact CB-CD 4.01Å; R484-K486 HydrophobicContact CB-CG 3.93Å; R484-K486 PolarHBondContact O-N 2.81Å
485	I	85.7	Confident	87.8	Confident	148 Å²	148	65.3 Å²	65.3	76%	0.759	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	46	-173	-44.2	178	0	0	0	110.4	Q481	Q481-I485 WeakPolarHBondContact O-CA 3.33Å; Q481-I485 PolarHBondContact O-N 2.86Å
486	K	89.3	Confident	86.7	Confident	64 Å²	64	64 Å²	64	28%	0.278	34%	0.335	S	S	.	.			trans	-118.7	97.9	-178.6	-71.8	-175.5	169.7	-142.3	0	109.4	Q481 R484 Y488 L489 D499	Q481-K486 WeakPolarHBondContact CG-O 3.37Å; Q481-K486 PolarHBondContact O-N 3.39Å; R484-K486 HydrophobicContact CB-CB 4.28Å; R484-K486 HydrophobicContact CB-CD 4.01Å; R484-K486 HydrophobicContact CB-CG 3.93Å; R484-K486 PolarHBondContact O-N 2.81Å; K486-Y488 HydrophobicContact CB-CD1 4.48Å; K486-Y488 HydrophobicContact CB-CD2 4.39Å; K486-Y488 HydrophobicContact CB-CE1 4.05Å; K486-Y488 HydrophobicContact CB-CE2 3.94Å; K486-Y488 HydrophobicContact CD-CE2 3.71Å; K486-Y488 WeakPolarHBondContact CD-OH 3.47Å; K486-Y488 WeakPolarHBondContact CE-OH 3.37Å; K486-Y488 HydrophobicContact CG-CE1 4.07Å; K486-Y488 HydrophobicContact CG-CE2 4.03Å; K486-Y488 WeakPolarHBondContact CG-OH 3.35Å; K486-Y488 PolarHBondContact NZ-OH 3.1Å; K486-Y488 PolarHBondContact O-N 3.01Å; K486-L489 HydrophobicContact CB-CD1 4.07Å; K486-L489 HydrophobicContact CB-CG 3.91Å; K486-L489 PolarHBondContact O-N 3.06Å; K486-D499 IonicContact NZ-OD2 3.37Å
487	P	90.2	Very high	86.3	Confident	30 Å²	30	61.6 Å²	61.6	20%	0.195	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.1	-176.4	30.1	-36.1	0	0	0	113.3	I151 S424 S428 Q481	I151-P487 HydrophobicContact CB-CB 4.24Å; I151-P487 HydrophobicContact CB-CG 4.03Å; I151-P487 HydrophobicContact CD1-CB 4.06Å; I151-P487 HydrophobicContact CG2-CB 4.07Å; I151-P487 HydrophobicContact CG2-CG 4.07Å; S424-P487 CarbonylContact C-O 3.58Å; S424-P487 WeakPolarHBondContact CB-O 3.41Å; S428-P487 VanDerWaalsContact OG-CB 3.24Å; S428-P487 WeakPolarHBondContact OG-CB 3.39Å; Q481-P487 PolarHBondContact NE2-O 2.78Å
488	Y	92.7	Very high	86	Confident	35 Å²	35	63.7 Å²	63.7	14%	0.137	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	11.5	-177.6	53	-103.1	0	0	0	114.3	Y420 K486 G490 D499 M500 K501	Y420-Y488 HydrophobicContact CD2-CD1 4.47Å; Y420-Y488 HydrophobicContact CD2-CG 4.32Å; Y420-Y488 HydrophobicContact CE2-CD1 4.44Å; K486-Y488 HydrophobicContact CB-CD1 4.48Å; K486-Y488 HydrophobicContact CB-CD2 4.39Å; K486-Y488 HydrophobicContact CB-CE1 4.05Å; K486-Y488 HydrophobicContact CB-CE2 3.94Å; K486-Y488 HydrophobicContact CD-CE2 3.71Å; K486-Y488 WeakPolarHBondContact CD-OH 3.47Å; K486-Y488 WeakPolarHBondContact CE-OH 3.37Å; K486-Y488 HydrophobicContact CG-CE1 4.07Å; K486-Y488 HydrophobicContact CG-CE2 4.03Å; K486-Y488 WeakPolarHBondContact CG-OH 3.35Å; K486-Y488 PolarHBondContact NZ-OH 3.1Å; K486-Y488 PolarHBondContact O-N 3.01Å; Y488-G490 PolarHBondContact O-N 3.11Å; Y488-D499 WeakPolarHBondContact CD2-OD1 3.35Å; Y488-D499 VanDerWaalsContact CE2-OD1 3.25Å; Y488-D499 WeakPolarHBondContact CE2-OD1 3.3Å; Y488-D499 WeakPolarHBondContact CE2-OD2 3.46Å; Y488-M500 VanDerWaalsContact O-CB 3.23Å; Y488-M500 WeakPolarHBondContact O-CB 3.39Å; Y488-M500 WeakPolarHBondContact O-CG 3.47Å; Y488-M500 PolarHBondContact O-N 3.32Å; Y488-K501 HydrophobicContact CD1-CD 4.4Å; Y488-K501 HydrophobicContact CD2-CB 3.88Å; Y488-K501 HydrophobicContact CE1-CD 4.32Å; Y488-K501 HydrophobicContact CE2-CB 4.3Å; Y488-K501 HydrophobicContact CG-CB 4Å
489	L	93.3	Very high	86	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.016	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-83.6	113.2	172.9	-57.5	179.3	0	0	0	109.7	S424 L477 K480 Q481 K486 E498 D499	S424-L489 WeakPolarHBondContact CB-O 3.29Å; L477-L489 HydrophobicContact CD2-CB 4.47Å; K480-L489 HydrophobicContact CB-CD1 3.7Å; Q481-L489 HydrophobicContact CG-CB 3.95Å; Q481-L489 PolarHBondContact NE2-O 3.16Å; K486-L489 HydrophobicContact CB-CD1 4.07Å; K486-L489 HydrophobicContact CB-CG 3.91Å; K486-L489 PolarHBondContact O-N 3.06Å; L489-E498 CarbonylContact C-O 3.55Å; L489-E498 VanDerWaalsContact CA-O 3.24Å; L489-E498 WeakPolarHBondContact CA-O 3.38Å; L489-D499 HydrophobicContact CD2-CB 4.16Å
490	G	92.9	Very high	86	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.31	C	S	.	.			trans	-123.4	-177.1	-174.3	0	0	0	0	0	113.1	G422 L477 Y488 A492 E498	G422-G490 WeakPolarHBondContact O-CA 3.37Å; L477-G490 VanDerWaalsContact CD2-O 3.25Å; L477-G490 WeakPolarHBondContact CD2-O 3.46Å; Y488-G490 PolarHBondContact O-N 3.11Å; G490-A492 PolarHBondContact O-N 3.48Å; G490-E498 PolarHBondContact N-O 3.29Å
491	V	91.6	Very high	85.9	Confident	6 Å²	6	58.9 Å²	58.9	4%	0.036	32%	0.32	C	S	.	.			trans	-68.4	111.6	176.3	-179.4	0	0	0	0	109.3	G422 P459 L462 A463 L468 T473 L477	G422-V491 PolarHBondContact O-N 3.01Å; P459-V491 HydrophobicContact CB-CG2 3.86Å; L462-V491 HydrophobicContact CB-CB 4.17Å; L462-V491 HydrophobicContact CB-CG1 4.21Å; L462-V491 HydrophobicContact CB-CG2 4.2Å; A463-V491 HydrophobicContact CB-CG1 4.03Å; A463-V491 HydrophobicContact CB-CG2 4.44Å; L468-V491 HydrophobicContact CD1-CG1 4.07Å; T473-V491 HydrophobicContact CG2-CG1 4.35Å; T473-V491 HydrophobicContact CG2-CG2 4.19Å; L477-V491 HydrophobicContact CD1-CG2 3.85Å
492	A	82.1	Confident	85.8	Confident	17 Å²	17	61.8 Å²	61.8	14%	0.14	35%	0.345	C	S	.	.			trans	-74.5	146.3	172	0	0	0	0	0	111.1	L468 G490 G496 E498	L468-A492 VanDerWaalsContact CD1-O 3.25Å; L468-A492 WeakPolarHBondContact CD1-O 3.35Å; G490-A492 PolarHBondContact O-N 3.48Å; A492-G496 WeakPolarHBondContact CB-O 3.47Å; A492-E498 HydrophobicContact CB-CG 4.15Å
493	V	78.7	Confident	85.8	Confident	62 Å²	62	62 Å²	62	38%	0.376	34%	0.341	S	S	.	.			trans	-79	160.6	163	-175.3	0	0	0	0	108.3	P54 D495 G496	P54-V493 HydrophobicContact CB-CG2 4.13Å; P54-V493 HydrophobicContact CG-CG2 3.46Å; P54-V493 VanDerWaalsContact CG-CG2 3.46Å; V493-D495 PolarHBondContact O-N 3.21Å; V493-G496 PolarHBondContact O-N 2.93Å
494	A	66.1	Low	85.7	Confident	84 Å²	84	60.6 Å²	60.6	69%	0.694	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	-28.9	-168.6	0	0	0	0	0	117.2
495	D	67.3	Low	85.9	Confident	171 Å²	171	55.6 Å²	55.6	91%	0.914	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	6.2	179.1	-60.8	-45.8	0	0	0	114.5	V493	V493-D495 PolarHBondContact O-N 3.21Å
496	G	70.1	Confident	86.2	Confident	34 Å²	34	49.1 Å²	49.1	35%	0.351	28%	0.284	S	S	.	.	S	Bend	trans	-97.7	163.3	-173.7	0	0	0	0	0	114.4	A492 V493	A492-G496 WeakPolarHBondContact CB-O 3.47Å; V493-G496 PolarHBondContact O-N 2.93Å
497	S	83.1	Confident	86.4	Confident	50 Å²	50	48 Å²	48	35%	0.35	28%	0.28	S	S	.	.			trans	-76.8	148.7	167.6	-174.7	0	0	0	0	111.4	D499 M500 E503	S497-D499 PolarHBondContact O-N 2.96Å; S497-D499 WeakPolarHBondContact OG-CB 3.49Å; S497-D499 PolarHBondContact OG-N 2.92Å; S497-D499 VanDerWaalsContact OG-N 3.09Å; S497-M500 WeakPolarHBondContact O-CE 3.48Å; S497-E503 WeakPolarHBondContact CB-OE1 3.35Å; S497-E503 PolarHBondContact N-OE1 3.35Å
498	E	88.1	Confident	86.6	Confident	46 Å²	46	46.8 Å²	46.8	22%	0.215	27%	0.273	C	S	.	.	S	Bend	trans	-69.2	-17.1	167	-62.5	172.4	145.6	0	0	111.7	L477 K480 L489 G490 A492 M500	L477-E498 HydrophobicContact CD2-CB 4.14Å; L477-E498 HydrophobicContact CD2-CG 4.04Å; K480-E498 WeakPolarHBondContact CD-OE2 3.32Å; K480-E498 WeakPolarHBondContact CE-OE2 3.25Å; K480-E498 IonicContact NZ-OE1 3.3Å; K480-E498 PolarHBondContact NZ-OE1 3.47Å; K480-E498 IonicContact NZ-OE2 2.84Å; K480-E498 PolarHBondContact NZ-OE2 3.21Å; L489-E498 CarbonylContact C-O 3.55Å; L489-E498 VanDerWaalsContact CA-O 3.24Å; L489-E498 WeakPolarHBondContact CA-O 3.38Å; G490-E498 PolarHBondContact N-O 3.29Å; A492-E498 HydrophobicContact CB-CG 4.15Å; E498-M500 WeakPolarHBondContact O-CE 3.39Å; E498-M500 PolarHBondContact O-N 2.97Å; E498-M500 VanDerWaalsContact O-N 3.1Å
499	D	91.1	Very high	86.8	Confident	31 Å²	31	45.1 Å²	45.1	17%	0.166	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-78	91.8	178.7	-166.9	-30.4	0	0	0	110.6	K486 Y488 L489 S497 K501 A502 E503	K486-D499 IonicContact NZ-OD2 3.37Å; Y488-D499 WeakPolarHBondContact CD2-OD1 3.35Å; Y488-D499 VanDerWaalsContact CE2-OD1 3.25Å; Y488-D499 WeakPolarHBondContact CE2-OD1 3.3Å; Y488-D499 WeakPolarHBondContact CE2-OD2 3.46Å; L489-D499 HydrophobicContact CD2-CB 4.16Å; S497-D499 PolarHBondContact O-N 2.96Å; S497-D499 WeakPolarHBondContact OG-CB 3.49Å; S497-D499 PolarHBondContact OG-N 2.92Å; S497-D499 VanDerWaalsContact OG-N 3.09Å; D499-K501 PolarHBondContact O-N 3.48Å; D499-K501 VanDerWaalsContact O-N 3.16Å; D499-K501 VanDerWaalsContact OD1-CB 3.31Å; D499-K501 WeakPolarHBondContact OD1-CB 3.43Å; D499-K501 PolarHBondContact OD1-N 2.91Å; D499-K501 VanDerWaalsContact OD1-N 3.1Å; D499-A502 HydrophobicContact CB-CB 3.9Å; D499-A502 WeakPolarHBondContact O-CB 3.16Å; D499-A502 PolarHBondContact O-N 3.44Å; D499-A502 PolarHBondContact OD1-N 3.16Å; D499-E503 PolarHBondContact O-N 3.25Å
500	M	92.3	Very high	86.9	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.03	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.1	-179.1	-61.1	-63.4	101.7	0	0	112.6	Y420 G421 Y488 S497 E498 K504 V505	Y420-M500 HydrophobicContact CD1-CB 4.5Å; G421-M500 WeakPolarHBondContact O-CG 3.45Å; Y488-M500 VanDerWaalsContact O-CB 3.23Å; Y488-M500 WeakPolarHBondContact O-CB 3.39Å; Y488-M500 WeakPolarHBondContact O-CG 3.47Å; Y488-M500 PolarHBondContact O-N 3.32Å; S497-M500 WeakPolarHBondContact O-CE 3.48Å; E498-M500 WeakPolarHBondContact O-CE 3.39Å; E498-M500 PolarHBondContact O-N 2.97Å; E498-M500 VanDerWaalsContact O-N 3.1Å; M500-K504 PolarHBondContact O-N 2.93Å; M500-V505 HydrophobicContact CB-CB 4.21Å; M500-V505 PolarHBondContact O-N 2.97Å; M500-V505 HydrophobicContact SD-CB 3.96Å; M500-V505 HydrophobicContact SD-CG1 4.29Å; M500-V505 HydrophobicContact SD-CG2 4Å
501	K	91.7	Very high	87	Confident	83 Å²	83	47.7 Å²	47.7	36%	0.361	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-41.6	173.6	-179.6	169.3	-169.1	162.5	0	111.3	E153 Y420 Y488 D499 K504	E153-K501 IonicContact OE1-NZ 3.74Å; E153-K501 PolarHBondContact OE1-NZ 3.17Å; E153-K501 WeakPolarHBondContact OE2-CE 3.38Å; E153-K501 IonicContact OE2-NZ 2.88Å; E153-K501 PolarHBondContact OE2-NZ 3.49Å; Y420-K501 HydrophobicContact CD1-CB 3.86Å; Y420-K501 VanDerWaalsContact CE1-CA 3.4Å; Y420-K501 HydrophobicContact CE1-CB 3.41Å; Y420-K501 VanDerWaalsContact CE1-CB 3.41Å; Y420-K501 HydrophobicContact CE1-CD 4.19Å; Y420-K501 HydrophobicContact CE1-CG 3.59Å; Y420-K501 HydrophobicContact CE2-CB 4.34Å; Y420-K501 HydrophobicContact CE2-CD 4.19Å; Y420-K501 HydrophobicContact CE2-CG 4.46Å; Y420-K501 WeakPolarHBondContact OH-CD 3.37Å; Y420-K501 WeakPolarHBondContact OH-CE 3.37Å; Y420-K501 VanDerWaalsContact OH-CG 3.3Å; Y420-K501 WeakPolarHBondContact OH-CG 3.07Å; Y420-K501 PolarHBondContact OH-NZ 2.99Å; Y488-K501 HydrophobicContact CD1-CD 4.4Å; Y488-K501 HydrophobicContact CD2-CB 3.88Å; Y488-K501 HydrophobicContact CE1-CD 4.32Å; Y488-K501 HydrophobicContact CE2-CB 4.3Å; Y488-K501 HydrophobicContact CG-CB 4Å; D499-K501 PolarHBondContact O-N 3.48Å; D499-K501 VanDerWaalsContact O-N 3.16Å; D499-K501 VanDerWaalsContact OD1-CB 3.31Å; D499-K501 WeakPolarHBondContact OD1-CB 3.43Å; D499-K501 PolarHBondContact OD1-N 2.91Å; D499-K501 VanDerWaalsContact OD1-N 3.1Å; K501-K504 PolarHBondContact O-N 3.49Å
502	A	89.4	Confident	87.3	Confident	67 Å²	67	47.5 Å²	47.5	55%	0.554	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-39.4	173.6	0	0	0	0	0	112.1	D499 K504	D499-A502 HydrophobicContact CB-CB 3.9Å; D499-A502 WeakPolarHBondContact O-CB 3.16Å; D499-A502 PolarHBondContact O-N 3.44Å; D499-A502 PolarHBondContact OD1-N 3.16Å; A502-K504 PolarHBondContact O-N 3.48Å
503	E	88.5	Confident	88	Confident	93 Å²	93	50.2 Å²	50.2	44%	0.435	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-4.3	176.4	-63.5	-62	155	0	0	113.6	S497 D499 V505	S497-E503 WeakPolarHBondContact CB-OE1 3.35Å; S497-E503 PolarHBondContact N-OE1 3.35Å; D499-E503 PolarHBondContact O-N 3.25Å; E503-V505 HydrophobicContact CB-CG2 3.93Å; E503-V505 PolarHBondContact O-N 3.38Å
504	K	88.5	Confident	88.9	Confident	98 Å²	98	50 Å²	50	43%	0.426	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	34.1	179.6	-57	167.2	168.4	-169.9	0	113.4	E167 V171 M500 K501 A502 I506	E167-K504 HydrophobicContact CG-CD 4.3Å; E167-K504 IonicContact OE1-NZ 3.88Å; E167-K504 PolarHBondContact OE1-NZ 3.01Å; E167-K504 WeakPolarHBondContact OE2-CD 3.3Å; E167-K504 IonicContact OE2-NZ 2.75Å; V171-K504 WeakPolarHBondContact CG2-O 3.4Å; M500-K504 PolarHBondContact O-N 2.93Å; K501-K504 PolarHBondContact O-N 3.49Å; A502-K504 PolarHBondContact O-N 3.48Å; K504-I506 PolarHBondContact O-N 2.91Å; K504-I506 VanDerWaalsContact O-N 3.16Å
505	V	90.7	Very high	90.4	Very high	40 Å²	40	46.6 Å²	46.6	24%	0.242	25%	0.25	C	S	.	.			trans	-82.9	93.3	174.1	-175.4	0	0	0	0	108.4	V171 Y420 G421 M500 E503	V171-V505 HydrophobicContact CG1-CG1 4.16Å; Y420-V505 WeakPolarHBondContact CA-O 3.5Å; G421-V505 PolarHBondContact N-O 3.48Å; M500-V505 HydrophobicContact CB-CB 4.21Å; M500-V505 PolarHBondContact O-N 2.97Å; M500-V505 HydrophobicContact SD-CB 3.96Å; M500-V505 HydrophobicContact SD-CG1 4.29Å; M500-V505 HydrophobicContact SD-CG2 4Å; E503-V505 HydrophobicContact CB-CG2 3.93Å; E503-V505 PolarHBondContact O-N 3.38Å
506	I	92	Very high	91.8	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.1	-170.2	-63	169.9	0	0	0	110.4	T168 I418 K504	T168-I506 HydrophobicContact CG2-CB 4.15Å; T168-I506 HydrophobicContact CG2-CG2 3.82Å; I418-I506 HydrophobicContact CB-CG2 3.67Å; I418-I506 HydrophobicContact CD1-CB 4.48Å; I418-I506 HydrophobicContact CD1-CD1 4.06Å; I418-I506 HydrophobicContact CD1-CG1 4.07Å; I418-I506 HydrophobicContact CD1-CG2 3.6Å; I418-I506 HydrophobicContact CG1-CG2 4.24Å; I418-I506 HydrophobicContact CG2-CG2 3.58Å; K504-I506 PolarHBondContact O-N 2.91Å; K504-I506 VanDerWaalsContact O-N 3.16Å
507	E	93.6	Very high	93.1	Very high	40 Å²	40	38.4 Å²	38.4	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148	169.4	-68.4	-178.7	114.7	0	0	110.2	I418 V419 G421 K512	I418-E507 WeakPolarHBondContact CA-O 3.2Å; V419-E507 HydrophobicContact CG2-CB 4.15Å; V419-E507 PolarHBondContact N-O 3.07Å; V419-E507 PolarHBondContact O-N 2.86Å; V419-E507 VanDerWaalsContact O-O 3.07Å; G421-E507 WeakPolarHBondContact CA-OE2 3.09Å; E507-K512 VanDerWaalsContact CD-CE 3.42Å; E507-K512 WeakPolarHBondContact OE1-CE 3.48Å; E507-K512 IonicContact OE1-NZ 3.58Å; E507-K512 PolarHBondContact OE1-NZ 2.98Å; E507-K512 WeakPolarHBondContact OE2-CE 3.4Å; E507-K512 IonicContact OE2-NZ 2.7Å; E507-K512 PolarHBondContact OE2-NZ 3.33Å
508	T	95.2	Very high	93.8	Very high	6 Å²	6	37 Å²	37	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.7	177.3	66.4	0	0	0	0	110.7	V408 N411 L412 I510 G511 K512	V408-T508 HydrophobicContact CG1-CG2 4.11Å; N411-T508 HydrophobicContact CB-CG2 4.01Å; L412-T508 HydrophobicContact CD2-CG2 3.9Å; L412-T508 HydrophobicContact CG-CG2 3.95Å; T508-I510 VanDerWaalsContact C-N 3.33Å; T508-I510 PolarHBondContact O-N 3.33Å; T508-G511 PolarHBondContact O-N 3Å; T508-G511 PolarHBondContact OG1-N 3.45Å; T508-K512 PolarHBondContact O-N 3.38Å
509	L	96.6	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-43.2	179.1	175.4	65.7	0	0	0	111.2	L148 R417 V419 G511 K512 R513	L148-L509 HydrophobicContact CB-CD1 3.8Å; R417-L509 HydrophobicContact CB-CB 4Å; R417-L509 HydrophobicContact CB-CD2 3.65Å; R417-L509 HydrophobicContact CB-CG 4.49Å; R417-L509 HydrophobicContact CG-CD2 4.48Å; R417-L509 VanDerWaalsContact O-CB 3.23Å; R417-L509 WeakPolarHBondContact O-CB 3.32Å; R417-L509 PolarHBondContact O-N 3.33Å; V419-L509 HydrophobicContact CG1-CD1 3.8Å; L509-G511 VanDerWaalsContact C-N 3.29Å; L509-G511 PolarHBondContact O-N 3.47Å; L509-K512 PolarHBondContact O-N 2.93Å; L509-R513 HydrophobicContact CD1-CG 3.9Å; L509-R513 HydrophobicContact CG-CG 4.16Å; L509-R513 WeakPolarHBondContact O-CB 3.31Å; L509-R513 VanDerWaalsContact O-CG 3.23Å; L509-R513 WeakPolarHBondContact O-CG 3.1Å; L509-R513 PolarHBondContact O-N 2.87Å
510	I	95.5	Very high	94.6	Very high	50 Å²	50	33.5 Å²	33.5	26%	0.256	17%	0.174	S	C	.	.	H	α-helix	trans	-55.4	-48.5	176.3	-62	178.5	0	0	0	109.9	I102 R414 D415 T508 K512 R513 Q514	I102-I510 HydrophobicContact CD1-CG2 3.59Å; R414-I510 HydrophobicContact CB-CD1 4.29Å; D415-I510 HydrophobicContact CB-CD1 3.31Å; D415-I510 HydrophobicContact CB-CG1 3.66Å; T508-I510 VanDerWaalsContact C-N 3.33Å; T508-I510 PolarHBondContact O-N 3.33Å; I510-K512 PolarHBondContact O-N 3.04Å; I510-R513 PolarHBondContact O-N 2.57Å; I510-Q514 WeakPolarHBondContact O-CB 3.46Å; I510-Q514 PolarHBondContact O-N 2.75Å
511	G	95.4	Very high	94.9	Very high	6 Å²	6	39 Å²	39	6%	0.062	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-49.5	-179.6	0	0	0	0	0	112.1	T508 L509 R513 Q514 Q515	T508-G511 PolarHBondContact O-N 3Å; T508-G511 PolarHBondContact OG1-N 3.45Å; L509-G511 VanDerWaalsContact C-N 3.29Å; L509-G511 PolarHBondContact O-N 3.47Å; G511-R513 PolarHBondContact O-N 2.94Å; G511-Q514 PolarHBondContact O-N 2.93Å; G511-Q515 WeakPolarHBondContact O-CG 3.2Å; G511-Q515 PolarHBondContact O-N 3.34Å
512	K	96.9	Very high	95.1	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.013	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-42.6	179.7	-168.2	60.5	55.4	-175.7	0	112.8	L148 V419 E426 E507 T508 L509 I510 Q514 Q515 F516	L148-K512 HydrophobicContact CD1-CB 4.41Å; L148-K512 HydrophobicContact CD1-CG 3.82Å; L148-K512 HydrophobicContact CD2-CG 4.1Å; V419-K512 HydrophobicContact CG2-CB 3.9Å; V419-K512 HydrophobicContact CG2-CG 4.11Å; E426-K512 WeakPolarHBondContact OE1-CD 3.19Å; E426-K512 WeakPolarHBondContact OE1-CE 3.4Å; E426-K512 IonicContact OE1-NZ 3.73Å; E426-K512 PolarHBondContact OE1-NZ 2.98Å; E507-K512 VanDerWaalsContact CD-CE 3.42Å; E507-K512 WeakPolarHBondContact OE1-CE 3.48Å; E507-K512 IonicContact OE1-NZ 3.58Å; E507-K512 PolarHBondContact OE1-NZ 2.98Å; E507-K512 WeakPolarHBondContact OE2-CE 3.4Å; E507-K512 IonicContact OE2-NZ 2.7Å; E507-K512 PolarHBondContact OE2-NZ 3.33Å; T508-K512 PolarHBondContact O-N 3.38Å; L509-K512 PolarHBondContact O-N 2.93Å; I510-K512 PolarHBondContact O-N 3.04Å; K512-Q514 VanDerWaalsContact C-N 3.33Å; K512-Q514 PolarHBondContact O-N 3.2Å; K512-Q515 VanDerWaalsContact CE-OE1 3.32Å; K512-Q515 PolarHBondContact O-N 3.42Å; K512-F516 HydrophobicContact CD-CD1 4.37Å; K512-F516 HydrophobicContact CD-CE1 3.77Å; K512-F516 HydrophobicContact CD-CZ 4.29Å; K512-F516 HydrophobicContact CG-CE1 4.26Å; K512-F516 HydrophobicContact CG-CZ 4.48Å; K512-F516 PolarHBondContact O-N 2.95Å
513	R	97.4	Very high	95.4	Very high	73 Å²	73	32.5 Å²	32.5	28%	0.275	16%	0.16	S	C	.	.	H	α-helix	trans	-59.8	-45.4	176.2	-72.8	174.3	65.2	81.7	-2.9	111.3	L145 L148 D149 L509 I510 G511 F516 A517	L145-R513 HydrophobicContact CD2-CB 3.74Å; L145-R513 HydrophobicContact CD2-CG 3.87Å; L145-R513 WeakPolarHBondContact CD2-O 3.33Å; L145-R513 PolarHBondContact O-NH1 2.68Å; L145-R513 VanDerWaalsContact O-NH1 3.16Å; L148-R513 HydrophobicContact CD1-CG 4.23Å; D149-R513 IonicContact OD1-CZ 3.25Å; D149-R513 IonicContact OD1-NH1 2.9Å; D149-R513 PolarHBondContact OD1-NH1 2.87Å; D149-R513 IonicContact OD2-CZ 3.6Å; D149-R513 IonicContact OD2-NH1 3.11Å; D149-R513 PolarHBondContact OD2-NH1 2.99Å; D149-R513 IonicContact OD2-NH2 3.59Å; L509-R513 HydrophobicContact CD1-CG 3.9Å; L509-R513 HydrophobicContact CG-CG 4.16Å; L509-R513 WeakPolarHBondContact O-CB 3.31Å; L509-R513 VanDerWaalsContact O-CG 3.23Å; L509-R513 WeakPolarHBondContact O-CG 3.1Å; L509-R513 PolarHBondContact O-N 2.87Å; I510-R513 PolarHBondContact O-N 2.57Å; G511-R513 PolarHBondContact O-N 2.94Å; R513-F516 PolarHBondContact O-N 3.45Å; R513-A517 WeakPolarHBondContact O-CB 3.26Å; R513-A517 PolarHBondContact O-N 3.3Å
514	Q	97	Very high	95.8	Very high	59 Å²	59	30.3 Å²	30.3	28%	0.276	15%	0.148	S	C	.	.	H	α-helix	trans	-65	-40	179.9	-168	65.7	7.9	0	0	111.6	I102 I510 G511 K512 F516 A517 L518	I102-Q514 HydrophobicContact CD1-CB 3.99Å; I102-Q514 HydrophobicContact CD1-CG 4.15Å; I102-Q514 HydrophobicContact CG1-CB 3.79Å; I102-Q514 HydrophobicContact CG1-CG 3.77Å; I510-Q514 WeakPolarHBondContact O-CB 3.46Å; I510-Q514 PolarHBondContact O-N 2.75Å; G511-Q514 PolarHBondContact O-N 2.93Å; K512-Q514 VanDerWaalsContact C-N 3.33Å; K512-Q514 PolarHBondContact O-N 3.2Å; Q514-F516 VanDerWaalsContact C-N 3.34Å; Q514-F516 PolarHBondContact O-N 3.27Å; Q514-A517 PolarHBondContact O-N 3.3Å; Q514-L518 HydrophobicContact CG-CD1 3.74Å; Q514-L518 HydrophobicContact CG-CG 3.97Å; Q514-L518 VanDerWaalsContact NE2-CG 3.34Å; Q514-L518 WeakPolarHBondContact O-CB 3.26Å; Q514-L518 WeakPolarHBondContact O-CG 3.38Å; Q514-L518 PolarHBondContact O-N 2.72Å
515	Q	97.4	Very high	96.1	Very high	11 Å²	11	29.8 Å²	29.8	5%	0.051	15%	0.148	C	C	.	.	H	α-helix	trans	-56.4	-47.5	174.1	-70.6	179.6	-54.6	0	0	111.6	G105 V109 G511 K512 A519	G105-Q515 PolarHBondContact O-NE2 3.44Å; V109-Q515 HydrophobicContact CB-CB 4.43Å; V109-Q515 HydrophobicContact CB-CG 4.27Å; G511-Q515 WeakPolarHBondContact O-CG 3.2Å; G511-Q515 PolarHBondContact O-N 3.34Å; K512-Q515 VanDerWaalsContact CE-OE1 3.32Å; K512-Q515 PolarHBondContact O-N 3.42Å; Q515-A519 WeakPolarHBondContact O-CB 3.35Å; Q515-A519 PolarHBondContact O-N 2.87Å
516	F	98.1	Very high	96.3	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-45.4	-179.6	-76.6	20.9	0	0	0	111.2	L112 A144 L145 L148 E426 C429 L455 K512 R513 Q514 T520	L112-F516 HydrophobicContact CD2-CD1 3.74Å; L112-F516 HydrophobicContact CD2-CE1 4.19Å; L112-F516 HydrophobicContact CD2-CG 4.5Å; A144-F516 HydrophobicContact CB-CD2 3.95Å; A144-F516 HydrophobicContact CB-CE2 4.05Å; L145-F516 HydrophobicContact CD2-CB 4.08Å; L148-F516 HydrophobicContact CD1-CD2 3.89Å; L148-F516 HydrophobicContact CD1-CE2 3.84Å; L148-F516 HydrophobicContact CD1-CG 4.49Å; L148-F516 HydrophobicContact CD1-CZ 4.38Å; L148-F516 HydrophobicContact CG-CE2 4.32Å; E426-F516 HydrophobicContact CG-CE1 3.95Å; E426-F516 HydrophobicContact CG-CZ 3.96Å; C429-F516 HydrophobicContact CB-CE2 4.05Å; L455-F516 HydrophobicContact CD2-CD1 4.35Å; L455-F516 HydrophobicContact CD2-CD2 4.22Å; L455-F516 HydrophobicContact CD2-CE1 3.83Å; L455-F516 HydrophobicContact CD2-CE2 3.68Å; L455-F516 HydrophobicContact CD2-CZ 3.48Å; L455-F516 VanDerWaalsContact CD2-CZ 3.48Å; K512-F516 HydrophobicContact CD-CD1 4.37Å; K512-F516 HydrophobicContact CD-CE1 3.77Å; K512-F516 HydrophobicContact CD-CZ 4.29Å; K512-F516 HydrophobicContact CG-CE1 4.26Å; K512-F516 HydrophobicContact CG-CZ 4.48Å; K512-F516 PolarHBondContact O-N 2.95Å; R513-F516 PolarHBondContact O-N 3.45Å; Q514-F516 VanDerWaalsContact C-N 3.34Å; Q514-F516 PolarHBondContact O-N 3.27Å; F516-T520 VanDerWaalsContact O-CB 3.23Å; F516-T520 WeakPolarHBondContact O-CB 3.46Å; F516-T520 PolarHBondContact O-N 2.86Å; F516-T520 PolarHBondContact O-OG1 2.93Å
517	A	97.8	Very high	96.4	Very high	33 Å²	33	27.4 Å²	27.4	27%	0.273	13%	0.134	S	C	.	.	H	α-helix	trans	-63.8	-50.6	-178.7	0	0	0	0	0	112	R513 Q514 T520 Q521	R513-A517 WeakPolarHBondContact O-CB 3.26Å; R513-A517 PolarHBondContact O-N 3.3Å; Q514-A517 PolarHBondContact O-N 3.3Å; A517-T520 PolarHBondContact O-N 3.4Å; A517-Q521 WeakPolarHBondContact O-CB 3.46Å; A517-Q521 PolarHBondContact O-N 3.25Å
518	L	97.7	Very high	96.3	Very high	21 Å²	21	31.8 Å²	31.8	11%	0.11	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-43.4	-178.2	-70.9	-177.7	0	0	0	112.2	L94 Q98 V109 Q514 T520 Q521 V522	L94-L518 HydrophobicContact CD1-CB 3.51Å; L94-L518 HydrophobicContact CD1-CD1 4.45Å; Q98-L518 HydrophobicContact CB-CD1 4.31Å; V109-L518 HydrophobicContact CG2-CB 4.14Å; Q514-L518 HydrophobicContact CG-CD1 3.74Å; Q514-L518 HydrophobicContact CG-CG 3.97Å; Q514-L518 VanDerWaalsContact NE2-CG 3.34Å; Q514-L518 WeakPolarHBondContact O-CB 3.26Å; Q514-L518 WeakPolarHBondContact O-CG 3.38Å; Q514-L518 PolarHBondContact O-N 2.72Å; L518-T520 VanDerWaalsContact C-N 3.31Å; L518-T520 PolarHBondContact O-N 2.85Å; L518-Q521 PolarHBondContact O-N 2.74Å; L518-V522 PolarHBondContact O-N 2.83Å
519	A	97.9	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-43.8	176.9	0	0	0	0	0	111.2	V109 L112 A113 L116 Q515 A523	V109-A519 HydrophobicContact CG2-CB 4.08Å; L112-A519 HydrophobicContact CB-CB 4.09Å; L112-A519 HydrophobicContact CD2-CB 3.86Å; L112-A519 HydrophobicContact CG-CB 3.85Å; A113-A519 HydrophobicContact CB-CB 4.01Å; L116-A519 HydrophobicContact CD1-CB 4.25Å; Q515-A519 WeakPolarHBondContact O-CB 3.35Å; Q515-A519 PolarHBondContact O-N 2.87Å; A519-A523 WeakPolarHBondContact O-CB 3.44Å; A519-A523 PolarHBondContact O-N 3.3Å
520	T	98	Very high	95.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-45.2	176.2	-57.4	0	0	0	0	111.4	C141 F451 F516 A517 L518 V522 A523 R524	C141-T520 HydrophobicContact CB-CG2 3.84Å; C141-T520 PolarHBondContact SG-OG1 3.31Å; F451-T520 HydrophobicContact CE2-CG2 4.33Å; F451-T520 WeakPolarHBondContact CE2-OG1 3.33Å; F516-T520 VanDerWaalsContact O-CB 3.23Å; F516-T520 WeakPolarHBondContact O-CB 3.46Å; F516-T520 PolarHBondContact O-N 2.86Å; F516-T520 PolarHBondContact O-OG1 2.93Å; A517-T520 PolarHBondContact O-N 3.4Å; L518-T520 VanDerWaalsContact C-N 3.31Å; L518-T520 PolarHBondContact O-N 2.85Å; T520-V522 PolarHBondContact O-N 3.33Å; T520-A523 PolarHBondContact O-N 2.93Å; T520-R524 HydrophobicContact CG2-CG 4.36Å; T520-R524 WeakPolarHBondContact O-CB 3.4Å; T520-R524 WeakPolarHBondContact O-CG 2.99Å; T520-R524 PolarHBondContact O-N 2.89Å
521	Q	97.1	Very high	95.3	Very high	121 Å²	121	38.7 Å²	38.7	57%	0.565	19%	0.188	S	C	*	.	H	α-helix	trans	-61.1	-45.4	-180	-176.6	178.5	-2.9	0	0	112.1	A517 L518 R524 M525	A517-Q521 WeakPolarHBondContact O-CB 3.46Å; A517-Q521 PolarHBondContact O-N 3.25Å; L518-Q521 PolarHBondContact O-N 2.74Å; Q521-R524 PolarHBondContact O-N 3.3Å; Q521-M525 WeakPolarHBondContact O-CB 3.28Å; Q521-M525 PolarHBondContact O-N 3.43Å
522	V	96.6	Very high	94.8	Very high	14 Å²	14	39.1 Å²	39.1	9%	0.085	19%	0.189	C	C	.	.	H	α-helix	trans	-68.2	-41.6	178.5	169.9	0	0	0	0	111.4	M91 L94 L518 T520 R524 M525 I526	M91-V522 HydrophobicContact SD-CG1 4.16Å; L94-V522 HydrophobicContact CB-CG2 4.13Å; L94-V522 HydrophobicContact CD1-CB 4.4Å; L94-V522 HydrophobicContact CD1-CG2 3.8Å; L94-V522 HydrophobicContact CD2-CB 4.14Å; L94-V522 HydrophobicContact CD2-CG1 4.19Å; L94-V522 HydrophobicContact CD2-CG2 4.28Å; L94-V522 HydrophobicContact CG-CG2 4.29Å; L518-V522 PolarHBondContact O-N 2.83Å; T520-V522 PolarHBondContact O-N 3.33Å; V522-R524 VanDerWaalsContact C-N 3.33Å; V522-R524 PolarHBondContact O-N 3.22Å; V522-M525 HydrophobicContact CG2-CE 4.4Å; V522-M525 PolarHBondContact O-N 2.77Å; V522-I526 HydrophobicContact CG1-CD1 3.65Å; V522-I526 HydrophobicContact CG1-CG1 4.37Å; V522-I526 WeakPolarHBondContact O-CG1 3.46Å; V522-I526 PolarHBondContact O-N 3.31Å
523	A	96.8	Very high	94	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.6	-45.3	174.3	0	0	0	0	0	111.5	L116 L117 A519 T520 M525 I526 L527	L116-A523 HydrophobicContact CB-CB 3.91Å; L116-A523 HydrophobicContact CD1-CB 4.23Å; L117-A523 HydrophobicContact CD2-CB 4.17Å; L117-A523 HydrophobicContact CG-CB 4.17Å; A519-A523 WeakPolarHBondContact O-CB 3.44Å; A519-A523 PolarHBondContact O-N 3.3Å; T520-A523 PolarHBondContact O-N 2.93Å; A523-M525 PolarHBondContact O-N 3.33Å; A523-I526 PolarHBondContact O-N 3.13Å; A523-L527 WeakPolarHBondContact O-CB 3.46Å; A523-L527 VanDerWaalsContact O-CG 3.26Å; A523-L527 WeakPolarHBondContact O-CG 3.34Å; A523-L527 PolarHBondContact O-N 3.43Å
524	R	96.3	Very high	92.9	Very high	48 Å²	48	41.5 Å²	41.5	18%	0.181	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-42.6	175.9	-71	172	68.4	-168.1	15	112.5	A134 D138 T520 Q521 V522 R528	A134-R524 HydrophobicContact CB-CB 4.18Å; A134-R524 HydrophobicContact CB-CG 3.92Å; A134-R524 WeakPolarHBondContact O-CD 3.48Å; A134-R524 WeakPolarHBondContact O-CG 3.19Å; A134-R524 PolarHBondContact O-NE 2.85Å; D138-R524 IonicContact OD1-CZ 2.69Å; D138-R524 IonicContact OD1-NH1 2.9Å; D138-R524 PolarHBondContact OD1-NH1 2.97Å; D138-R524 IonicContact OD2-CZ 3.17Å; D138-R524 VanDerWaalsContact OD2-CZ 3.25Å; D138-R524 IonicContact OD2-NH1 3.56Å; D138-R524 PolarHBondContact OD2-NH1 3.11Å; D138-R524 VanDerWaalsContact OD2-NH1 3.11Å; D138-R524 IonicContact OD2-NH2 3.33Å; D138-R524 PolarHBondContact OD2-NH2 3.48Å; T520-R524 HydrophobicContact CG2-CG 4.36Å; T520-R524 WeakPolarHBondContact O-CB 3.4Å; T520-R524 WeakPolarHBondContact O-CG 2.99Å; T520-R524 PolarHBondContact O-N 2.89Å; Q521-R524 PolarHBondContact O-N 3.3Å; V522-R524 VanDerWaalsContact C-N 3.33Å; V522-R524 PolarHBondContact O-N 3.22Å; R524-R528 VanDerWaalsContact O-CG 3.3Å; R524-R528 WeakPolarHBondContact O-CG 3.49Å; R524-R528 PolarHBondContact O-N 2.99Å
525	M	95	Very high	91.5	Very high	86 Å²	86	45.4 Å²	45.4	42%	0.424	23%	0.227	S	C	.	.	H	α-helix	trans	-62.5	-46.3	178	-178	173.2	56.3	0	0	111	L90 Q521 V522 A523 L527 R528	L90-M525 HydrophobicContact CD1-CE 3.99Å; L90-M525 HydrophobicContact CD2-CE 3.8Å; L90-M525 HydrophobicContact CG-CE 4.33Å; Q521-M525 WeakPolarHBondContact O-CB 3.28Å; Q521-M525 PolarHBondContact O-N 3.43Å; V522-M525 HydrophobicContact CG2-CE 4.4Å; V522-M525 PolarHBondContact O-N 2.77Å; A523-M525 PolarHBondContact O-N 3.33Å; M525-L527 PolarHBondContact O-N 3.29Å; M525-R528 PolarHBondContact O-N 2.93Å
526	I	94.6	Very high	89.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-40.9	179.7	-69.2	166.9	0	0	0	111.6	N37 I87 L90 M91 L117 V522 A523 R528 V529	N37-I526 HydrophobicContact CB-CG2 3.74Å; I87-I526 HydrophobicContact CD1-CG1 4.27Å; I87-I526 HydrophobicContact CD1-CG2 4.33Å; I87-I526 HydrophobicContact CG2-CD1 3.77Å; I87-I526 HydrophobicContact CG2-CG1 4.15Å; I87-I526 HydrophobicContact CG2-CG2 4.28Å; L90-I526 HydrophobicContact CD1-CG1 4.12Å; M91-I526 HydrophobicContact SD-CD1 4.14Å; L117-I526 HydrophobicContact CD1-CB 4.44Å; L117-I526 HydrophobicContact CD1-CD1 3.7Å; L117-I526 HydrophobicContact CD1-CG2 4.19Å; L117-I526 HydrophobicContact CD2-CB 3.99Å; L117-I526 HydrophobicContact CD2-CG2 3.77Å; V522-I526 HydrophobicContact CG1-CD1 3.65Å; V522-I526 HydrophobicContact CG1-CG1 4.37Å; V522-I526 WeakPolarHBondContact O-CG1 3.46Å; V522-I526 PolarHBondContact O-N 3.31Å; A523-I526 PolarHBondContact O-N 3.13Å; I526-R528 PolarHBondContact O-N 3.29Å; I526-V529 PolarHBondContact O-N 3.27Å; I526-V529 VanDerWaalsContact O-N 3.13Å
527	L	94	Very high	87.5	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-19.5	176.8	-71	173.2	0	0	0	113.8	I34 L117 A120 L124 P130 V133 Y137 A523 M525	I34-L527 HydrophobicContact CG2-CD2 3.84Å; L117-L527 HydrophobicContact CD2-CD2 4.2Å; L117-L527 HydrophobicContact CD2-CG 4.04Å; A120-L527 HydrophobicContact CB-CD1 3.78Å; A120-L527 HydrophobicContact CB-CD2 3.63Å; A120-L527 HydrophobicContact CB-CG 4.29Å; L124-L527 HydrophobicContact CD1-CD2 4.26Å; P130-L527 WeakPolarHBondContact CB-O 3.31Å; V133-L527 HydrophobicContact CG1-CD1 4.06Å; Y137-L527 HydrophobicContact CD2-CD1 4.45Å; Y137-L527 HydrophobicContact CE2-CD1 4.33Å; A523-L527 WeakPolarHBondContact O-CB 3.46Å; A523-L527 VanDerWaalsContact O-CG 3.26Å; A523-L527 WeakPolarHBondContact O-CG 3.34Å; A523-L527 PolarHBondContact O-N 3.43Å; M525-L527 PolarHBondContact O-N 3.29Å
528	R	92	Very high	85.4	Confident	133 Å²	133	59.6 Å²	59.6	50%	0.502	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.9	176.7	-72.2	175.4	177.5	-163	-1	113.2	D135 R524 M525 I526	D135-R528 IonicContact OD1-NH2 2.68Å; R524-R528 VanDerWaalsContact O-CG 3.3Å; R524-R528 WeakPolarHBondContact O-CG 3.49Å; R524-R528 PolarHBondContact O-N 2.99Å; M525-R528 PolarHBondContact O-N 2.93Å; I526-R528 PolarHBondContact O-N 3.29Å
529	V	90.8	Very high	83.4	Confident	51 Å²	51	67.5 Å²	67.5	31%	0.309	34%	0.337	S	S	.	.			trans	-92.9	98.4	175.8	-177.4	0	0	0	0	109	I34 N37 I526 V532	I34-V529 WeakPolarHBondContact CG1-O 3.46Å; N37-V529 PolarHBondContact ND2-O 3.02Å; N37-V529 VanDerWaalsContact ND2-O 3.08Å; I526-V529 PolarHBondContact O-N 3.27Å; I526-V529 VanDerWaalsContact O-N 3.13Å; V529-V532 HydrophobicContact CG1-CG2 4.29Å
530	D	87.4	Confident	81.6	Confident	94 Å²	94	68.5 Å²	68.5	50%	0.503	35%	0.345	S	S	.	.			trans	-106.5	-5.7	-178	72.1	-34.4	0	0	0	114.1	T29 G30 A33 I34	T29-D530 CarbonylContact C-O 3.56Å; T29-D530 VanDerWaalsContact C-O 3.31Å; T29-D530 VanDerWaalsContact CA-O 3.24Å; T29-D530 WeakPolarHBondContact CA-O 3.47Å; G30-D530 PolarHBondContact N-O 3.43Å; A33-D530 WeakPolarHBondContact CB-O 3.5Å; I34-D530 HydrophobicContact CD1-CB 4.41Å
531	D	87	Confident	79.3	Confident	55 Å²	55	69.5 Å²	69.5	29%	0.294	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.4	178.5	-170.7	9.2	0	0	0	110.2	R27	R27-D531 WeakPolarHBondContact CG-OD1 3.49Å; R27-D531 IonicContact CZ-OD1 2.76Å; R27-D531 IonicContact CZ-OD2 2.82Å; R27-D531 IonicContact NE-OD1 2.62Å; R27-D531 PolarHBondContact NE-OD1 3.41Å; R27-D531 IonicContact NE-OD2 2.7Å; R27-D531 PolarHBondContact NE-OD2 2.65Å; R27-D531 IonicContact NH2-OD1 2.65Å; R27-D531 IonicContact NH2-OD2 3.61Å; R27-D531 PolarHBondContact NH2-OD2 3.18Å
532	V	84.2	Confident	77.1	Confident	15 Å²	15	70.7 Å²	70.7	9%	0.091	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119	177.5	-179.8	0	0	0	0	108.4	R27 L28 A33 V529 Y541	R27-V532 WeakPolarHBondContact CA-O 3.24Å; L28-V532 PolarHBondContact N-O 2.94Å; L28-V532 PolarHBondContact O-N 3.43Å; A33-V532 HydrophobicContact CB-CG2 4.25Å; V529-V532 HydrophobicContact CG1-CG2 4.29Å; V532-Y541 HydrophobicContact CB-CE1 4.3Å; V532-Y541 HydrophobicContact CG1-CD1 3.95Å; V532-Y541 HydrophobicContact CG1-CD2 3.95Å; V532-Y541 HydrophobicContact CG1-CE1 3.74Å; V532-Y541 HydrophobicContact CG1-CE2 3.73Å; V532-Y541 HydrophobicContact CG1-CG 4.04Å; V532-Y541 HydrophobicContact CG2-CE1 4.05Å
533	N	80.7	Confident	76.1	Confident	110 Å²	110	73.5 Å²	73.5	59%	0.588	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	118	174.7	-65.6	-67.9	0	0	0	109.2	R27	R27-N533 VanDerWaalsContact CD-OD1 3.23Å; R27-N533 WeakPolarHBondContact CD-OD1 3.26Å; R27-N533 WeakPolarHBondContact CG-OD1 3.44Å
534	S	73.4	Confident	75	Confident	17 Å²	17	77.4 Å²	77.4	12%	0.119	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.2	174	48.7	0	0	0	0	111.4	S25 T26	S25-S534 WeakPolarHBondContact CA-O 3.15Å; S25-S534 WeakPolarHBondContact CB-O 3.48Å; T26-S534 PolarHBondContact N-O 2.86Å; T26-S534 PolarHBondContact O-N 2.81Å; T26-S534 PolarHBondContact O-OG 2.71Å; T26-S534 PolarHBondContact OG1-OG 3.41Å
535	Q	69.3	Low	73.8	Confident	141 Å²	141	79 Å²	79	66%	0.659	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	142.1	169.4	-61.2	-173.7	-0.1	0	0	108.5	E537 D538	Q535-E537 PolarHBondContact O-N 2.88Å; Q535-D538 PolarHBondContact O-N 3.34Å
536	A	57.2	Low	72.6	Confident	57 Å²	57	78.6 Å²	78.6	47%	0.471	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16	-175.7	0	0	0	0	0	115.5	K24 D538	K24-A536 HydrophobicContact CB-CB 3.54Å; K24-A536 WeakPolarHBondContact O-CB 3.23Å; K24-A536 PolarHBondContact O-N 3.33Å; A536-D538 VanDerWaalsContact C-N 3.27Å
537	E	53.6	Low	71.2	Confident	186 Å²	186	83.5 Å²	83.5	87%	0.869	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-23	172.5	-67.6	-175.7	177	0	0	111.9	Q535 Q539	Q535-E537 PolarHBondContact O-N 2.88Å; E537-Q539 PolarHBondContact O-N 3.05Å
538	D	54.2	Low	69.7	Low	99 Å²	99	89 Å²	89	53%	0.529	47%	0.466	S	S	.	.			trans	-93	94.8	176.9	-90.7	-33.8	0	0	0	111	Q535 A536 S540	Q535-D538 PolarHBondContact O-N 3.34Å; A536-D538 VanDerWaalsContact C-N 3.27Å; D538-S540 PolarHBondContact O-N 2.78Å
539	Q	55.6	Low	68.1	Low	187 Å²	187	85.9 Å²	85.9	87%	0.874	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	21.8	167	-63.1	-175.8	-6.4	0	0	113.1	E537 Y541	E537-Q539 PolarHBondContact O-N 3.05Å; Q539-Y541 VanDerWaalsContact C-N 3.33Å
540	S	59.3	Low	66.3	Low	22 Å²	22	88.5 Å²	88.5	15%	0.154	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-16.8	-173.9	64.3	0	0	0	0	113.6	N85 D538	N85-S540 WeakPolarHBondContact CA-O 3.49Å; N85-S540 WeakPolarHBondContact CB-O 3.46Å; N85-S540 PolarHBondContact ND2-O 2.97Å; D538-S540 PolarHBondContact O-N 2.78Å
541	Y	50.7	Low	64.6	Low	22 Å²	22	88.1 Å²	88.1	9%	0.086	47%	0.474	C	S	.	.			trans	-114.4	130.5	169.6	-109.6	-98.5	0	0	0	109.2	L28 A36 N37 P86 I87 V532 Q539	L28-Y541 HydrophobicContact CD1-CD1 4.39Å; A36-Y541 HydrophobicContact CB-CE1 4.17Å; N37-Y541 PolarHBondContact OD1-OH 2.99Å; P86-Y541 HydrophobicContact CG-CD2 4.45Å; P86-Y541 HydrophobicContact CG-CE2 4.05Å; I87-Y541 VanDerWaalsContact CG1-OH 3.27Å; I87-Y541 WeakPolarHBondContact CG1-OH 3.31Å; V532-Y541 HydrophobicContact CB-CE1 4.3Å; V532-Y541 HydrophobicContact CG1-CD1 3.95Å; V532-Y541 HydrophobicContact CG1-CD2 3.95Å; V532-Y541 HydrophobicContact CG1-CE1 3.74Å; V532-Y541 HydrophobicContact CG1-CE2 3.73Å; V532-Y541 HydrophobicContact CG1-CG 4.04Å; V532-Y541 HydrophobicContact CG2-CE1 4.05Å; Q539-Y541 VanDerWaalsContact C-N 3.33Å
542	P	49.6	Very low	62.5	Low	146 Å²	146	91.1 Å²	91.1	95%	0.948	49%	0.49	S	S	*	.			trans	-63.6	0	165.5	29.2	-32.6	0	0	0	111.8

Retrieved 542 of 542 residues in 375.7 ms (Link to these results)

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