A0A096NWY9_PAPAN Loading...

ATP-dependent RNA helicase homolog DQX1

Might be involved in RNA metabolism; it is missing helicase motif III and may not have helicase activity.

AlphaFold DB , UniProt , Accession A0A096NWY9, Species PAPAN (Papio anubis, Olive baboon), Gene DQX1, Length 717 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	32.6	Very low	34.6	Very low	250 Å²	250	136.2 Å²	136.2	100%	1.232	74%	0.74	S	S	*	*				0	134.3	0	-73.3	-177.2	179.4	0	0	106.8
2	A	26.4	Very low	34.6	Very low	101 Å²	101	142.4 Å²	142.4	84%	0.835	75%	0.748	S	S	*	*			trans	-61	137.9	-162.9	0	0	0	0	0	113.4	Q4	A2-Q4 PolarHBondContact O-N 3.17Å
3	S	31.3	Very low	34.7	Very low	119 Å²	119	136.5 Å²	136.5	83%	0.832	74%	0.743	S	S	*	*			trans	-55.7	108.7	171.3	47.7	0	0	0	0	111.2
4	Q	26	Very low	34.7	Very low	183 Å²	183	134.4 Å²	134.4	86%	0.855	74%	0.739	S	S	*	*			trans	-75.1	132.7	159.5	-83.3	179.5	-25.4	0	0	108.1	A2	A2-Q4 PolarHBondContact O-N 3.17Å
5	P	29.9	Very low	34.8	Very low	93 Å²	93	131.8 Å²	131.8	60%	0.604	73%	0.734	S	S	*	*			trans	-64.1	141.3	170.2	26.6	-30.5	0	0	0	109.3	R7	P5-R7 VanDerWaalsContact C-N 3.34Å; P5-R7 PolarHBondContact O-N 3.26Å
6	L	36.1	Very low	34.9	Very low	93 Å²	93	132.5 Å²	132.5	49%	0.487	75%	0.746	S	S	.	*			trans	-47.7	94.7	168.8	-86.5	145.4	0	0	0	109.7	E59 A90	L6-E59 WeakPolarHBondContact CD1-OE2 3.3Å; L6-A90 HydrophobicContact CD2-CB 3.89Å
7	R	30.4	Very low	35.2	Very low	221 Å²	221	128.9 Å²	128.9	83%	0.834	75%	0.745	S	S	*	*			trans	-107.6	88.5	167.4	-75.8	-172.9	-177.8	180	0.1	106.7	P5	P5-R7 VanDerWaalsContact C-N 3.34Å; P5-R7 PolarHBondContact O-N 3.26Å
8	L	39.6	Very low	35.5	Very low	76 Å²	76	131.3 Å²	131.3	40%	0.398	75%	0.749	S	S	.	*			trans	-67.1	142.8	164.7	-69.6	165.7	0	0	0	107.9	E10	L8-E10 HydrophobicContact CB-CG 4.41Å; L8-E10 PolarHBondContact O-N 3.15Å
9	A	39.5	Very low	36.1	Very low	105 Å²	105	129.7 Å²	129.7	87%	0.868	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-67.5	12.5	-176.5	0	0	0	0	0	114.5	E11	A9-E11 PolarHBondContact O-N 3.33Å
10	E	46.9	Very low	37.2	Very low	106 Å²	106	132.3 Å²	132.3	50%	0.495	75%	0.752	S	S	.	*	G	3₁₀ helix	trans	-82	-7.6	-171.8	-64.8	-177.3	166.4	0	0	114.3	L8 R51	L8-E10 HydrophobicContact CB-CG 4.41Å; L8-E10 PolarHBondContact O-N 3.15Å; E10-R51 IonicContact OE1-NH2 3.98Å; E10-R51 IonicContact OE2-CZ 3.68Å; E10-R51 IonicContact OE2-NH1 3.29Å; E10-R51 PolarHBondContact OE2-NH1 2.89Å; E10-R51 IonicContact OE2-NH2 3.69Å; E10-R51 PolarHBondContact OE2-NH2 3.25Å
11	E	41.4	Very low	38.8	Very low	151 Å²	151	131.1 Å²	131.1	71%	0.706	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-93.4	0.2	-170.6	-79.1	-166.9	161.1	0	0	116.6	A9	A9-E11 PolarHBondContact O-N 3.33Å
12	Y	34.8	Very low	41.4	Very low	211 Å²	211	121.9 Å²	121.9	83%	0.827	71%	0.706	S	S	*	*			trans	-131.3	111.5	174.9	-78	-86.2	0	0	0	111.4
13	G	35.6	Very low	44.5	Very low	66 Å²	66	120.8 Å²	120.8	68%	0.68	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-52.7	146.8	158.6	0	0	0	0	0	110	S15	G13-S15 PolarHBondContact O-N 3.04Å
14	P	35.8	Very low	47.4	Very low	106 Å²	106	115.2 Å²	115.2	69%	0.688	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-61.8	133.2	-165.6	23.4	-32.2	0	0	0	111.1
15	S	35.6	Very low	50.5	Low	96 Å²	96	110.7 Å²	110.7	67%	0.671	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-57.9	135.2	163.5	48.6	0	0	0	0	109.2	G13 G17	G13-S15 PolarHBondContact O-N 3.04Å; S15-G17 PolarHBondContact O-N 3.2Å
16	P	37	Very low	53.3	Low	143 Å²	143	108.1 Å²	108.1	93%	0.929	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	95.6	-176.2	28.9	-31.6	0	0	0	109
17	G	39.9	Very low	55.9	Low	71 Å²	71	106.2 Å²	106.2	73%	0.732	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.3	-39.8	179.2	0	0	0	0	0	115.7	S15	S15-G17 PolarHBondContact O-N 3.2Å
18	E	40.8	Very low	58.8	Low	172 Å²	172	98.1 Å²	98.1	80%	0.804	59%	0.591	S	S	*	*			trans	-145.7	98	-179.5	-69.1	179.9	162.8	0	0	107.9	E20	E18-E20 VanDerWaalsContact C-N 3.28Å; E18-E20 PolarHBondContact O-N 2.98Å; E18-E20 VanDerWaalsContact O-N 3.07Å
19	S	45.3	Very low	61.4	Low	102 Å²	102	99.4 Å²	99.4	71%	0.713	60%	0.598	S	S	*	*			trans	-84.6	69.8	-178.6	-177	0	0	0	0	110.1	L21	S19-L21 PolarHBondContact O-N 3.29Å
20	E	59.4	Low	64	Low	181 Å²	181	97.9 Å²	97.9	85%	0.846	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-68	117.3	157.9	-74	-173	164.2	0	0	107.2	E18 A22	E18-E20 VanDerWaalsContact C-N 3.28Å; E18-E20 PolarHBondContact O-N 2.98Å; E18-E20 VanDerWaalsContact O-N 3.07Å; E20-A22 PolarHBondContact O-N 3.05Å
21	L	70.5	Confident	66.3	Low	108 Å²	108	94.3 Å²	94.3	57%	0.565	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-59.8	133.2	174.7	-70.8	167.4	0	0	0	108.4	S19 V23 P30	S19-L21 PolarHBondContact O-N 3.29Å; L21-V23 WeakPolarHBondContact O-CG2 3.31Å; L21-V23 PolarHBondContact O-N 2.95Å; L21-P30 HydrophobicContact CB-CB 4.16Å; L21-P30 HydrophobicContact CD1-CB 4.28Å
22	A	86.1	Confident	68.8	Low	55 Å²	55	89 Å²	89	46%	0.455	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-57.6	134.6	173.9	0	0	0	0	0	109.6	E20 F31	E20-A22 PolarHBondContact O-N 3.05Å; A22-F31 HydrophobicContact CB-CD2 4.16Å; A22-F31 WeakPolarHBondContact O-CD2 3.28Å; A22-F31 PolarHBondContact O-N 3.08Å
23	V	92.3	Very high	71.6	Confident	79 Å²	79	83.2 Å²	83.2	48%	0.479	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-102.8	137.5	-175.3	-176.8	0	0	0	0	108.8	L21 G28 L29	L21-V23 WeakPolarHBondContact O-CG2 3.31Å; L21-V23 PolarHBondContact O-N 2.95Å; V23-G28 VanDerWaalsContact CG1-CA 3.49Å; V23-G28 WeakPolarHBondContact CG1-O 3.47Å; V23-L29 CarbonylContact C-O 3.47Å; V23-L29 WeakPolarHBondContact CA-O 3.42Å; V23-L29 WeakPolarHBondContact CG1-O 3.4Å
24	N	92.6	Very high	74.4	Confident	2 Å²	2	86.4 Å²	86.4	1%	0.011	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-64.4	120.7	174.8	-175.7	-19.7	0	0	0	109.6	F26 D27 G28 L29 F31 M119 L121	N24-F26 PolarHBondContact O-N 3.25Å; N24-F26 VanDerWaalsContact OD1-CD2 3.29Å; N24-F26 WeakPolarHBondContact OD1-CD2 3.11Å; N24-F26 PolarHBondContact OD1-N 3.32Å; N24-F26 VanDerWaalsContact OD1-N 3.12Å; N24-D27 VanDerWaalsContact CB-OD1 3.28Å; N24-D27 WeakPolarHBondContact CB-OD1 3.4Å; N24-G28 WeakPolarHBondContact O-CA 3.48Å; N24-G28 PolarHBondContact O-N 3.16Å; N24-L29 WeakPolarHBondContact CB-O 3.46Å; N24-L29 PolarHBondContact N-O 2.85Å; N24-F31 VanDerWaalsContact CA-CZ 3.47Å; N24-F31 HydrophobicContact CB-CD1 3.89Å; N24-F31 HydrophobicContact CB-CE1 3.51Å; N24-F31 HydrophobicContact CB-CE2 4.36Å; N24-F31 HydrophobicContact CB-CG 4.48Å; N24-F31 HydrophobicContact CB-CZ 3.79Å; N24-M119 PolarHBondContact ND2-O 3.05Å; N24-L121 WeakPolarHBondContact ND2-CD2 3.26Å
25	P	90.3	Very high	77.2	Confident	88 Å²	88	82.2 Å²	82.2	57%	0.571	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.4	-173.2	30.5	-37.3	0	0	0	113.4	L89	P25-L89 HydrophobicContact CB-CD2 4Å; P25-L89 HydrophobicContact CG-CD2 4.31Å
26	F	90.1	Very high	80	Confident	39 Å²	39	82 Å²	82	17%	0.171	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-40.2	-178.8	-62.9	-81.3	0	0	0	112.4	N24 A85 E86 L89 M119 L121 E126 L142	N24-F26 PolarHBondContact O-N 3.25Å; N24-F26 VanDerWaalsContact OD1-CD2 3.29Å; N24-F26 WeakPolarHBondContact OD1-CD2 3.11Å; N24-F26 PolarHBondContact OD1-N 3.32Å; N24-F26 VanDerWaalsContact OD1-N 3.12Å; F26-A85 HydrophobicContact CE1-CB 4.19Å; F26-A85 HydrophobicContact CZ-CB 4.28Å; F26-E86 HydrophobicContact CZ-CG 4.25Å; F26-L89 HydrophobicContact CD1-CD2 3.85Å; F26-L89 HydrophobicContact CE1-CB 4.27Å; F26-L89 HydrophobicContact CE1-CD2 3.72Å; F26-L89 HydrophobicContact CG-CD2 4.37Å; F26-L89 HydrophobicContact CZ-CD2 4.14Å; F26-M119 HydrophobicContact CD1-CE 4.45Å; F26-M119 HydrophobicContact CD2-CE 3.8Å; F26-M119 HydrophobicContact CE1-CE 4.03Å; F26-M119 HydrophobicContact CE2-CE 3.31Å; F26-M119 HydrophobicContact CG-CE 4.37Å; F26-M119 HydrophobicContact CZ-CE 3.44Å; F26-M119 VanDerWaalsContact CZ-CE 3.44Å; F26-L121 HydrophobicContact CB-CD1 3.94Å; F26-L121 HydrophobicContact CB-CD2 3.92Å; F26-L121 HydrophobicContact CD2-CD1 4.12Å; F26-L121 HydrophobicContact CG-CD1 4.05Å; F26-E126 HydrophobicContact CB-CG 4.19Å; F26-L142 HydrophobicContact CD1-CD2 3.79Å; F26-L142 HydrophobicContact CE1-CD2 3.56Å
27	D	90.6	Very high	82.7	Confident	53 Å²	53	80.7 Å²	80.7	28%	0.283	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-11.8	-176.6	70.1	-0.8	0	0	0	114.5	N24 L29 L121	N24-D27 VanDerWaalsContact CB-OD1 3.28Å; N24-D27 WeakPolarHBondContact CB-OD1 3.4Å; D27-L29 PolarHBondContact OD1-N 3.14Å; D27-L121 HydrophobicContact CB-CD2 4.04Å
28	G	90.7	Very high	85.2	Confident	50 Å²	50	77.9 Å²	77.9	52%	0.515	43%	0.429	S	S	.	.			trans	76.7	15.2	-178.7	0	0	0	0	0	114.8	V23 N24	V23-G28 VanDerWaalsContact CG1-CA 3.49Å; V23-G28 WeakPolarHBondContact CG1-O 3.47Å; N24-G28 WeakPolarHBondContact O-CA 3.48Å; N24-G28 PolarHBondContact O-N 3.16Å
29	L	93.1	Very high	87.7	Confident	104 Å²	104	71.1 Å²	71.1	55%	0.545	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-98.8	150.9	177.5	-59.8	-179	0	0	0	112.3	V23 N24 D27	V23-L29 CarbonylContact C-O 3.47Å; V23-L29 WeakPolarHBondContact CA-O 3.42Å; V23-L29 WeakPolarHBondContact CG1-O 3.4Å; N24-L29 WeakPolarHBondContact CB-O 3.46Å; N24-L29 PolarHBondContact N-O 2.85Å; D27-L29 PolarHBondContact OD1-N 3.14Å
30	P	94.8	Very high	90	Very high	73 Å²	73	73.1 Å²	73.1	47%	0.474	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-62.6	137.4	174	-20.1	32.1	0	0	0	111.8	L21	L21-P30 HydrophobicContact CB-CB 4.16Å; L21-P30 HydrophobicContact CD1-CB 4.28Å
31	F	94.8	Very high	91.5	Very high	31 Å²	31	69.6 Å²	69.6	14%	0.136	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60.8	138.7	175.7	-71.9	-66.9	0	0	0	112.5	A22 N24 Y35 Y36 D120	A22-F31 HydrophobicContact CB-CD2 4.16Å; A22-F31 WeakPolarHBondContact O-CD2 3.28Å; A22-F31 PolarHBondContact O-N 3.08Å; N24-F31 VanDerWaalsContact CA-CZ 3.47Å; N24-F31 HydrophobicContact CB-CD1 3.89Å; N24-F31 HydrophobicContact CB-CE1 3.51Å; N24-F31 HydrophobicContact CB-CE2 4.36Å; N24-F31 HydrophobicContact CB-CG 4.48Å; N24-F31 HydrophobicContact CB-CZ 3.79Å; F31-Y35 HydrophobicContact CB-CD1 3.62Å; F31-Y35 HydrophobicContact CB-CE1 4.2Å; F31-Y35 HydrophobicContact CB-CG 4.07Å; F31-Y35 AromaticContact CD1-CD1 3.49Å; F31-Y35 HydrophobicContact CD1-CD1 3.49Å; F31-Y35 VanDerWaalsContact CD1-CD1 3.49Å; F31-Y35 AromaticContact CD1-CD2 3.65Å; F31-Y35 HydrophobicContact CD1-CD2 3.65Å; F31-Y35 AromaticContact CD1-CE1 3.63Å; F31-Y35 HydrophobicContact CD1-CE1 3.63Å; F31-Y35 AromaticContact CD1-CE2 3.77Å; F31-Y35 HydrophobicContact CD1-CE2 3.77Å; F31-Y35 AromaticContact CD1-CG 3.49Å; F31-Y35 HydrophobicContact CD1-CG 3.49Å; F31-Y35 VanDerWaalsContact CD1-CG 3.49Å; F31-Y35 AromaticContact CD1-CZ 3.75Å; F31-Y35 HydrophobicContact CD2-CD1 4.26Å; F31-Y35 AromaticContact CD2-CE1 3.96Å; F31-Y35 HydrophobicContact CD2-CE1 3.96Å; F31-Y35 HydrophobicContact CE1-CD1 4.15Å; F31-Y35 AromaticContact CE1-CD2 3.85Å; F31-Y35 HydrophobicContact CE1-CD2 3.85Å; F31-Y35 AromaticContact CE1-CE1 3.85Å; F31-Y35 HydrophobicContact CE1-CE1 3.85Å; F31-Y35 AromaticContact CE1-CE2 3.51Å; F31-Y35 HydrophobicContact CE1-CE2 3.51Å; F31-Y35 HydrophobicContact CE1-CG 4.14Å; F31-Y35 AromaticContact CE1-CZ 3.5Å; F31-Y35 HydrophobicContact CE2-CE1 4.17Å; F31-Y35 AromaticContact CG-CD1 3.54Å; F31-Y35 HydrophobicContact CG-CD1 3.54Å; F31-Y35 AromaticContact CG-CE1 3.68Å; F31-Y35 HydrophobicContact CG-CE1 3.68Å; F31-Y35 AromaticContact CG-CG 3.99Å; F31-Y35 HydrophobicContact CG-CG 3.99Å; F31-Y35 HydrophobicContact CZ-CE1 4.09Å; F31-Y35 HydrophobicContact CZ-CE2 4.19Å; F31-Y35 AromaticContact CZ-CZ 3.76Å; F31-Y36 HydrophobicContact CB-CE2 3.73Å; F31-D120 WeakPolarHBondContact CA-OD2 3.49Å; F31-D120 HydrophobicContact CD1-CB 4.14Å
32	S	95.4	Very high	92.5	Very high	39 Å²	39	64.8 Å²	64.8	27%	0.273	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-73	163.9	176.4	78.4	0	0	0	0	112.4	R34 Y35 Y36 D120	S32-R34 PolarHBondContact O-N 2.97Å; S32-R34 PolarHBondContact OG-N 3.5Å; S32-Y35 WeakPolarHBondContact O-CB 3.45Å; S32-Y35 PolarHBondContact O-N 3.14Å; S32-Y35 PolarHBondContact OG-N 2.98Å; S32-Y35 VanDerWaalsContact OG-N 3.15Å; S32-Y36 WeakPolarHBondContact O-CD2 3.21Å; S32-D120 WeakPolarHBondContact CB-OD1 3.34Å; S32-D120 WeakPolarHBondContact CB-OD2 3.21Å; S32-D120 PolarHBondContact N-OD2 3.08Å; S32-D120 VanDerWaalsContact OG-CG 3.24Å; S32-D120 PolarHBondContact OG-OD1 3.36Å; S32-D120 PolarHBondContact OG-OD2 2.95Å
33	S	93.6	Very high	92.8	Very high	90 Å²	90	66.6 Å²	66.6	63%	0.629	35%	0.353	S	S	*	.	H	α-helix	trans	-62.8	-34.5	172.4	57	0	0	0	0	112.2	Y35 Y36 E37	S33-Y35 VanDerWaalsContact C-N 3.33Å; S33-Y35 PolarHBondContact O-N 3.19Å; S33-Y36 PolarHBondContact O-N 3.1Å; S33-E37 PolarHBondContact O-N 3.23Å; S33-E37 VanDerWaalsContact O-N 3.15Å
34	R	93.3	Very high	92.7	Very high	132 Å²	132	67.9 Å²	67.9	50%	0.498	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-38.3	178.7	-175.7	178.2	177.9	95.9	0.4	111.5	S32 Y36 E37 L38 D117	S32-R34 PolarHBondContact O-N 2.97Å; S32-R34 PolarHBondContact OG-N 3.5Å; R34-Y36 PolarHBondContact O-N 3.34Å; R34-E37 PolarHBondContact O-N 3.04Å; R34-L38 HydrophobicContact CG-CD1 4.19Å; R34-L38 WeakPolarHBondContact O-CG 3.37Å; R34-L38 PolarHBondContact O-N 3.46Å; R34-D117 WeakPolarHBondContact CD-OD1 3.48Å; R34-D117 IonicContact CZ-OD1 2.93Å; R34-D117 IonicContact CZ-OD2 2.72Å; R34-D117 IonicContact NE-OD1 2.8Å; R34-D117 PolarHBondContact NE-OD1 3.48Å; R34-D117 IonicContact NE-OD2 2.73Å; R34-D117 PolarHBondContact NE-OD2 3.27Å; R34-D117 IonicContact NH2-OD1 3.98Å; R34-D117 IonicContact NH2-OD2 2.92Å; R34-D117 PolarHBondContact NH2-OD2 2.86Å
35	Y	94.8	Very high	92.6	Very high	19 Å²	19	69.7 Å²	69.7	8%	0.075	37%	0.37	C	S	.	.	H	α-helix	trans	-54.5	-50.7	172.6	171	-99.2	0	0	0	111.9	F31 S32 S33 E37 L38 L39 E118 D120	F31-Y35 HydrophobicContact CB-CD1 3.62Å; F31-Y35 HydrophobicContact CB-CE1 4.2Å; F31-Y35 HydrophobicContact CB-CG 4.07Å; F31-Y35 AromaticContact CD1-CD1 3.49Å; F31-Y35 HydrophobicContact CD1-CD1 3.49Å; F31-Y35 VanDerWaalsContact CD1-CD1 3.49Å; F31-Y35 AromaticContact CD1-CD2 3.65Å; F31-Y35 HydrophobicContact CD1-CD2 3.65Å; F31-Y35 AromaticContact CD1-CE1 3.63Å; F31-Y35 HydrophobicContact CD1-CE1 3.63Å; F31-Y35 AromaticContact CD1-CE2 3.77Å; F31-Y35 HydrophobicContact CD1-CE2 3.77Å; F31-Y35 AromaticContact CD1-CG 3.49Å; F31-Y35 HydrophobicContact CD1-CG 3.49Å; F31-Y35 VanDerWaalsContact CD1-CG 3.49Å; F31-Y35 AromaticContact CD1-CZ 3.75Å; F31-Y35 HydrophobicContact CD2-CD1 4.26Å; F31-Y35 AromaticContact CD2-CE1 3.96Å; F31-Y35 HydrophobicContact CD2-CE1 3.96Å; F31-Y35 HydrophobicContact CE1-CD1 4.15Å; F31-Y35 AromaticContact CE1-CD2 3.85Å; F31-Y35 HydrophobicContact CE1-CD2 3.85Å; F31-Y35 AromaticContact CE1-CE1 3.85Å; F31-Y35 HydrophobicContact CE1-CE1 3.85Å; F31-Y35 AromaticContact CE1-CE2 3.51Å; F31-Y35 HydrophobicContact CE1-CE2 3.51Å; F31-Y35 HydrophobicContact CE1-CG 4.14Å; F31-Y35 AromaticContact CE1-CZ 3.5Å; F31-Y35 HydrophobicContact CE2-CE1 4.17Å; F31-Y35 AromaticContact CG-CD1 3.54Å; F31-Y35 HydrophobicContact CG-CD1 3.54Å; F31-Y35 AromaticContact CG-CE1 3.68Å; F31-Y35 HydrophobicContact CG-CE1 3.68Å; F31-Y35 AromaticContact CG-CG 3.99Å; F31-Y35 HydrophobicContact CG-CG 3.99Å; F31-Y35 HydrophobicContact CZ-CE1 4.09Å; F31-Y35 HydrophobicContact CZ-CE2 4.19Å; F31-Y35 AromaticContact CZ-CZ 3.76Å; S32-Y35 WeakPolarHBondContact O-CB 3.45Å; S32-Y35 PolarHBondContact O-N 3.14Å; S32-Y35 PolarHBondContact OG-N 2.98Å; S32-Y35 VanDerWaalsContact OG-N 3.15Å; S33-Y35 VanDerWaalsContact C-N 3.33Å; S33-Y35 PolarHBondContact O-N 3.19Å; Y35-E37 PolarHBondContact O-N 2.87Å; Y35-L38 PolarHBondContact O-N 3.02Å; Y35-L39 HydrophobicContact CE1-CD2 3.9Å; Y35-L39 VanDerWaalsContact O-CB 3.31Å; Y35-L39 WeakPolarHBondContact O-CB 3.48Å; Y35-L39 PolarHBondContact O-N 3.21Å; Y35-E118 WeakPolarHBondContact CD2-O 3.34Å; Y35-D120 HydrophobicContact CD2-CB 3.91Å; Y35-D120 HydrophobicContact CG-CB 4.2Å
36	Y	94.9	Very high	92.6	Very high	91 Å²	91	66.2 Å²	66.2	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-65.6	-38.5	-178.2	-66.1	-73.3	0	0	0	112.3	F31 S32 S33 R34 L39 E40	F31-Y36 HydrophobicContact CB-CE2 3.73Å; S32-Y36 WeakPolarHBondContact O-CD2 3.21Å; S33-Y36 PolarHBondContact O-N 3.1Å; R34-Y36 PolarHBondContact O-N 3.34Å; Y36-L39 PolarHBondContact O-N 2.92Å; Y36-E40 PolarHBondContact O-N 3Å
37	E	93.3	Very high	92.8	Very high	116 Å²	116	64.5 Å²	64.5	54%	0.542	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-44.9	173.5	-70.4	171.8	-168.7	0	0	111.8	S33 R34 Y35 Q41	S33-E37 PolarHBondContact O-N 3.23Å; S33-E37 VanDerWaalsContact O-N 3.15Å; R34-E37 PolarHBondContact O-N 3.04Å; Y35-E37 PolarHBondContact O-N 2.87Å; E37-Q41 WeakPolarHBondContact O-CG 3.38Å; E37-Q41 PolarHBondContact O-N 3.06Å
38	L	92.3	Very high	92.9	Very high	11 Å²	11	64.3 Å²	64.3	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-69.4	-36.6	176.9	-69.3	176	0	0	0	111.8	R34 Y35 Q41 R42 D117 E118	R34-L38 HydrophobicContact CG-CD1 4.19Å; R34-L38 WeakPolarHBondContact O-CG 3.37Å; R34-L38 PolarHBondContact O-N 3.46Å; Y35-L38 PolarHBondContact O-N 3.02Å; L38-Q41 WeakPolarHBondContact O-CB 3.17Å; L38-Q41 PolarHBondContact O-N 2.99Å; L38-R42 WeakPolarHBondContact O-CD 3.44Å; L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.31Å; L38-D117 HydrophobicContact CD1-CB 4.47Å; L38-E118 HydrophobicContact CD1-CG 4.46Å
39	L	94.1	Very high	93.1	Very high	30 Å²	30	65.6 Å²	65.6	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-43	177.4	-175.8	63.9	0	0	0	111.5	Y35 Y36 Q41 R42 H43 W48	Y35-L39 HydrophobicContact CE1-CD2 3.9Å; Y35-L39 VanDerWaalsContact O-CB 3.31Å; Y35-L39 WeakPolarHBondContact O-CB 3.48Å; Y35-L39 PolarHBondContact O-N 3.21Å; Y36-L39 PolarHBondContact O-N 2.92Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.49Å; L39-R42 PolarHBondContact O-N 3.1Å; L39-H43 WeakPolarHBondContact CD1-NE2 3.3Å; L39-H43 PolarHBondContact O-CD2 2.92Å; L39-H43 PolarHBondContact O-N 2.95Å; L39-W48 HydrophobicContact CD1-CH2 4.03Å
40	E	93.6	Very high	93.1	Very high	145 Å²	145	60.9 Å²	60.9	68%	0.678	32%	0.318	S	S	*	.	H	α-helix	trans	-59	-42.6	174.1	-74.1	-174.9	176.5	0	0	111.7	Y36 H43	Y36-E40 PolarHBondContact O-N 3Å; E40-H43 PolarHBondContact O-N 3.48Å
41	Q	89.9	Confident	93.2	Very high	106 Å²	106	58.5 Å²	58.5	50%	0.495	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-42.6	175.2	-64.4	172.2	13.5	0	0	111.6	E37 L38 L39 H43 T44	E37-Q41 WeakPolarHBondContact O-CG 3.38Å; E37-Q41 PolarHBondContact O-N 3.06Å; L38-Q41 WeakPolarHBondContact O-CB 3.17Å; L38-Q41 PolarHBondContact O-N 2.99Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.49Å; Q41-H43 VanDerWaalsContact C-N 3.31Å; Q41-H43 PolarHBondContact O-N 2.81Å; Q41-T44 PolarHBondContact O-N 3.14Å; Q41-T44 VanDerWaalsContact O-N 3.1Å; Q41-T44 PolarHBondContact O-OG1 3.45Å
42	R	92.4	Very high	93.1	Very high	7 Å²	7	64.2 Å²	64.2	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-37.1	179.2	-70.2	162.1	59.3	-165.8	-3.9	112	L38 L39 T44 L45 W48 E118	L38-R42 WeakPolarHBondContact O-CD 3.44Å; L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.31Å; L39-R42 PolarHBondContact O-N 3.1Å; R42-T44 PolarHBondContact O-N 3.2Å; R42-L45 WeakPolarHBondContact O-CB 3.46Å; R42-L45 PolarHBondContact O-N 3.44Å; R42-W48 HydrophobicContact CB-CE3 4.42Å; R42-W48 HydrophobicContact CB-CZ3 4.11Å; R42-E118 WeakPolarHBondContact CD-OE2 3.38Å; R42-E118 HydrophobicContact CG-CG 4.5Å; R42-E118 IonicContact NE-OE2 3.14Å; R42-E118 PolarHBondContact NH1-O 3.36Å
43	H	93.2	Very high	93.1	Very high	93 Å²	93	65.7 Å²	65.7	43%	0.431	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-25	175.6	-75.8	-162.9	0	0	0	113.2	L39 E40 Q41 L45 W48	L39-H43 WeakPolarHBondContact CD1-NE2 3.3Å; L39-H43 PolarHBondContact O-CD2 2.92Å; L39-H43 PolarHBondContact O-N 2.95Å; E40-H43 PolarHBondContact O-N 3.48Å; Q41-H43 VanDerWaalsContact C-N 3.31Å; Q41-H43 PolarHBondContact O-N 2.81Å; H43-L45 VanDerWaalsContact C-N 3.32Å; H43-W48 AromaticContact CD2-CD2 3.83Å; H43-W48 AromaticContact CD2-CE2 3.3Å; H43-W48 AromaticContact CD2-CH2 3.41Å; H43-W48 VanDerWaalsContact CD2-CH2 3.41Å; H43-W48 WeakPolarHBondContact CD2-CH2 3.38Å; H43-W48 AromaticContact CD2-CZ2 3.11Å; H43-W48 WeakPolarHBondContact CD2-CZ2 3.48Å; H43-W48 AromaticContact CD2-CZ3 3.88Å; H43-W48 AromaticContact CD2-NE1 3.84Å; H43-W48 AromaticContact CG-CE2 4Å; H43-W48 AromaticContact NE2-CE2 3.64Å; H43-W48 AromaticContact NE2-CH2 3.53Å; H43-W48 AromaticContact NE2-CZ2 3.06Å; H43-W48 WeakPolarHBondContact NE2-CZ2 3.42Å
44	T	89.6	Confident	93.2	Very high	107 Å²	107	61.5 Å²	61.5	66%	0.656	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.7	176.4	70.4	0	0	0	0	113.5	Q41 R42	Q41-T44 PolarHBondContact O-N 3.14Å; Q41-T44 VanDerWaalsContact O-N 3.1Å; Q41-T44 PolarHBondContact O-OG1 3.45Å; R42-T44 PolarHBondContact O-N 3.2Å
45	L	89.8	Confident	93.3	Very high	40 Å²	40	56.6 Å²	56.6	21%	0.209	29%	0.285	C	S	.	.	S	Bend	trans	-68.7	139.5	-178.2	-63.9	171.5	0	0	0	110.9	R42 H43 I47 W48 Q79	R42-L45 WeakPolarHBondContact O-CB 3.46Å; R42-L45 PolarHBondContact O-N 3.44Å; H43-L45 VanDerWaalsContact C-N 3.32Å; L45-I47 HydrophobicContact CB-CG2 4.15Å; L45-I47 PolarHBondContact O-N 2.9Å; L45-I47 VanDerWaalsContact O-N 3.12Å; L45-W48 VanDerWaalsContact O-CB 3.24Å; L45-W48 WeakPolarHBondContact O-CB 3.39Å; L45-W48 PolarHBondContact O-N 2.96Å; L45-Q79 HydrophobicContact CD1-CG 4Å
46	P	90.6	Very high	93.2	Very high	15 Å²	15	61.4 Å²	61.4	10%	0.097	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-63.5	-25.8	-175.6	12.4	-20.5	0	0	0	113.4	W48 I224 P225 E227	P46-W48 PolarHBondContact O-N 2.91Å; P46-I224 HydrophobicContact CB-CG2 4.16Å; P46-P225 WeakPolarHBondContact CB-O 3.46Å; P46-E227 HydrophobicContact CB-CG 4.01Å; P46-E227 VanDerWaalsContact CD-OE1 3.27Å; P46-E227 WeakPolarHBondContact CD-OE1 3.37Å; P46-E227 HydrophobicContact CG-CB 4.39Å; P46-E227 HydrophobicContact CG-CG 3.73Å
47	I	93.3	Very high	93.1	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-62	-27.4	174.8	-163.7	166.5	0	0	0	112.9	L45 A49 A50 S74 K76 Q79 I80 W83 I224	L45-I47 HydrophobicContact CB-CG2 4.15Å; L45-I47 PolarHBondContact O-N 2.9Å; L45-I47 VanDerWaalsContact O-N 3.12Å; I47-A49 PolarHBondContact O-N 3.16Å; I47-A49 VanDerWaalsContact O-N 3.16Å; I47-A50 WeakPolarHBondContact O-CA 3.36Å; I47-A50 WeakPolarHBondContact O-CB 3.28Å; I47-A50 PolarHBondContact O-N 3.04Å; I47-S74 WeakPolarHBondContact CB-O 3.37Å; I47-S74 VanDerWaalsContact CG2-O 3.24Å; I47-S74 WeakPolarHBondContact CG2-O 3.48Å; I47-S74 PolarHBondContact N-O 3.34Å; I47-S74 VanDerWaalsContact N-O 3.15Å; I47-K76 HydrophobicContact CD1-CB 4.3Å; I47-K76 HydrophobicContact CD1-CG 4.21Å; I47-Q79 HydrophobicContact CG2-CB 3.87Å; I47-Q79 HydrophobicContact CG2-CG 3.63Å; I47-I80 HydrophobicContact CD1-CD1 3.92Å; I47-I80 HydrophobicContact CD1-CG1 3.61Å; I47-W83 HydrophobicContact CB-CH2 4.35Å; I47-W83 HydrophobicContact CD1-CH2 4.28Å; I47-W83 HydrophobicContact CD1-CZ3 4.07Å; I47-W83 HydrophobicContact CG1-CH2 3.69Å; I47-W83 HydrophobicContact CG1-CZ3 3.8Å; I47-W83 HydrophobicContact CG2-CH2 4.1Å; I47-W83 WeakPolarHBondContact O-CH2 3.14Å; I47-I224 HydrophobicContact CB-CD1 4.09Å; I47-I224 HydrophobicContact CB-CG1 4.47Å; I47-I224 HydrophobicContact CB-CG2 4.32Å; I47-I224 HydrophobicContact CD1-CD1 3.6Å; I47-I224 HydrophobicContact CD1-CG1 4.44Å; I47-I224 HydrophobicContact CG1-CD1 3.64Å; I47-I224 HydrophobicContact CG1-CG1 4.01Å
48	W	94.3	Very high	92.9	Very high	50 Å²	50	53.9 Å²	53.9	19%	0.189	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-57.5	-36.6	-174.7	-160.9	-93.8	0	0	0	112.4	L39 R42 H43 L45 P46 A50 R51 W83	L39-W48 HydrophobicContact CD1-CH2 4.03Å; R42-W48 HydrophobicContact CB-CE3 4.42Å; R42-W48 HydrophobicContact CB-CZ3 4.11Å; H43-W48 AromaticContact CD2-CD2 3.83Å; H43-W48 AromaticContact CD2-CE2 3.3Å; H43-W48 AromaticContact CD2-CH2 3.41Å; H43-W48 VanDerWaalsContact CD2-CH2 3.41Å; H43-W48 WeakPolarHBondContact CD2-CH2 3.38Å; H43-W48 AromaticContact CD2-CZ2 3.11Å; H43-W48 WeakPolarHBondContact CD2-CZ2 3.48Å; H43-W48 AromaticContact CD2-CZ3 3.88Å; H43-W48 AromaticContact CD2-NE1 3.84Å; H43-W48 AromaticContact CG-CE2 4Å; H43-W48 AromaticContact NE2-CE2 3.64Å; H43-W48 AromaticContact NE2-CH2 3.53Å; H43-W48 AromaticContact NE2-CZ2 3.06Å; H43-W48 WeakPolarHBondContact NE2-CZ2 3.42Å; L45-W48 VanDerWaalsContact O-CB 3.24Å; L45-W48 WeakPolarHBondContact O-CB 3.39Å; L45-W48 PolarHBondContact O-N 2.96Å; P46-W48 PolarHBondContact O-N 2.91Å; W48-A50 PolarHBondContact O-N 3.06Å; W48-A50 VanDerWaalsContact O-N 3.15Å; W48-R51 WeakPolarHBondContact O-CB 3.36Å; W48-R51 PolarHBondContact O-N 2.85Å; W48-R51 VanDerWaalsContact O-N 3.16Å; W48-W83 HydrophobicContact CE3-CZ2 4.11Å; W48-W83 HydrophobicContact CZ3-CZ2 4.44Å
49	A	93.6	Very high	92.7	Very high	77 Å²	77	57 Å²	57	64%	0.636	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-62.4	-20	176.1	0	0	0	0	0	113.7	I47 P225	I47-A49 PolarHBondContact O-N 3.16Å; I47-A49 VanDerWaalsContact O-N 3.16Å; A49-P225 HydrophobicContact CB-CG 4.13Å
50	A	94.6	Very high	92.2	Very high	5 Å²	5	59.1 Å²	59.1	4%	0.041	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-96.1	-3.5	-180	0	0	0	0	0	113.9	I47 W48 F52 T53 F54 V222	I47-A50 WeakPolarHBondContact O-CA 3.36Å; I47-A50 WeakPolarHBondContact O-CB 3.28Å; I47-A50 PolarHBondContact O-N 3.04Å; W48-A50 PolarHBondContact O-N 3.06Å; W48-A50 VanDerWaalsContact O-N 3.15Å; A50-F52 PolarHBondContact O-N 2.86Å; A50-T53 PolarHBondContact O-N 3.05Å; A50-F54 WeakPolarHBondContact O-CB 3.46Å; A50-F54 PolarHBondContact O-N 2.66Å; A50-V222 HydrophobicContact CB-CG1 3.82Å
51	R	95.5	Very high	91.5	Very high	23 Å²	23	52.7 Å²	52.7	9%	0.087	28%	0.278	C	S	.	.	H	α-helix	trans	-52.2	-52.1	-174.6	-176.2	177.2	-177	-158.8	0.8	112.8	E10 W48 F54 L55 W83 E86	E10-R51 IonicContact OE1-NH2 3.98Å; E10-R51 IonicContact OE2-CZ 3.68Å; E10-R51 IonicContact OE2-NH1 3.29Å; E10-R51 PolarHBondContact OE2-NH1 2.89Å; E10-R51 IonicContact OE2-NH2 3.69Å; E10-R51 PolarHBondContact OE2-NH2 3.25Å; W48-R51 WeakPolarHBondContact O-CB 3.36Å; W48-R51 PolarHBondContact O-N 2.85Å; W48-R51 VanDerWaalsContact O-N 3.16Å; R51-F54 PolarHBondContact O-N 3.26Å; R51-L55 HydrophobicContact CG-CD1 4.12Å; R51-L55 WeakPolarHBondContact O-CG 3.41Å; R51-L55 PolarHBondContact O-N 3.38Å; R51-W83 HydrophobicContact CB-CD2 4.43Å; R51-W83 HydrophobicContact CB-CH2 3.75Å; R51-W83 HydrophobicContact CB-CZ2 3.7Å; R51-W83 HydrophobicContact CB-CZ3 4.19Å; R51-W83 HydrophobicContact CG-CD2 3.9Å; R51-W83 HydrophobicContact CG-CE3 4.36Å; R51-W83 HydrophobicContact CG-CG 4.29Å; R51-W83 HydrophobicContact CG-CH2 4.25Å; R51-W83 HydrophobicContact CG-CZ2 3.83Å; R51-E86 IonicContact CZ-OE2 3.28Å; R51-E86 IonicContact NE-OE2 3.38Å; R51-E86 IonicContact NH2-OE1 3.48Å; R51-E86 IonicContact NH2-OE2 2.65Å; R51-E86 PolarHBondContact NH2-OE2 3.14Å
52	F	94.3	Very high	90.6	Very high	151 Å²	151	53.4 Å²	53.4	66%	0.662	29%	0.293	S	S	*	.	H	α-helix	trans	-63.6	-48.5	-177.9	-71.4	-72.9	0	0	0	112.4	A50 F54 L55 E56	A50-F52 PolarHBondContact O-N 2.86Å; F52-F54 VanDerWaalsContact C-N 3.28Å; F52-F54 PolarHBondContact O-N 3.02Å; F52-L55 PolarHBondContact O-N 3.27Å; F52-E56 WeakPolarHBondContact O-CB 3.33Å; F52-E56 PolarHBondContact O-N 2.76Å
53	T	94.9	Very high	89.8	Confident	69 Å²	69	56.2 Å²	56.2	42%	0.423	31%	0.31	S	S	.	.	H	α-helix	trans	-59.3	-42.5	177	-50.8	0	0	0	0	110.9	A50 E56 Q57	A50-T53 PolarHBondContact O-N 3.05Å; T53-E56 PolarHBondContact O-N 3.05Å; T53-Q57 VanDerWaalsContact O-CG 3.28Å; T53-Q57 WeakPolarHBondContact O-CG 3.29Å; T53-Q57 PolarHBondContact O-N 2.7Å
54	F	95.9	Very high	89.4	Confident	3 Å²	3	52.1 Å²	52.1	1%	0.013	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-51.8	177.5	170.4	-102.5	0	0	0	112.4	A50 R51 F52 E56 Q57 L58 V66 V68 I80 W83 V201 V222	A50-F54 WeakPolarHBondContact O-CB 3.46Å; A50-F54 PolarHBondContact O-N 2.66Å; R51-F54 PolarHBondContact O-N 3.26Å; F52-F54 VanDerWaalsContact C-N 3.28Å; F52-F54 PolarHBondContact O-N 3.02Å; F54-E56 VanDerWaalsContact C-N 3.33Å; F54-E56 PolarHBondContact O-N 3.21Å; F54-Q57 PolarHBondContact O-N 3.39Å; F54-L58 HydrophobicContact CE1-CD2 4.16Å; F54-L58 HydrophobicContact CZ-CD2 4.14Å; F54-L58 WeakPolarHBondContact O-CB 3.41Å; F54-L58 PolarHBondContact O-N 2.96Å; F54-V66 HydrophobicContact CD2-CG1 4.43Å; F54-V66 HydrophobicContact CE2-CG1 4.49Å; F54-V68 HydrophobicContact CD2-CG2 3.84Å; F54-V68 HydrophobicContact CE2-CG2 3.87Å; F54-I80 HydrophobicContact CE1-CG2 4.44Å; F54-I80 HydrophobicContact CE2-CG2 4.18Å; F54-I80 HydrophobicContact CZ-CG2 3.8Å; F54-W83 HydrophobicContact CD1-CB 4.25Å; F54-W83 AromaticContact CD1-CE3 3.68Å; F54-W83 HydrophobicContact CD1-CE3 3.68Å; F54-W83 HydrophobicContact CD1-CZ3 4.44Å; F54-W83 HydrophobicContact CE1-CB 3.99Å; F54-W83 HydrophobicContact CE1-CE3 4.19Å; F54-W83 HydrophobicContact CG-CE3 4.3Å; F54-V201 HydrophobicContact CE2-CG1 3.87Å; F54-V201 HydrophobicContact CE2-CG2 4.14Å; F54-V201 HydrophobicContact CZ-CG1 4.33Å; F54-V201 HydrophobicContact CZ-CG2 4.13Å; F54-V222 HydrophobicContact CB-CG1 4.3Å; F54-V222 HydrophobicContact CB-CG2 4.33Å; F54-V222 HydrophobicContact CD2-CG2 4.35Å
55	L	93.7	Very high	89.4	Confident	28 Å²	28	47.8 Å²	47.8	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-39.3	-179.8	-71.8	172.5	0	0	0	112.1	R51 F52 L58 E59 W83 F87	R51-L55 HydrophobicContact CG-CD1 4.12Å; R51-L55 WeakPolarHBondContact O-CG 3.41Å; R51-L55 PolarHBondContact O-N 3.38Å; F52-L55 PolarHBondContact O-N 3.27Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-E59 WeakPolarHBondContact O-CB 3.48Å; L55-E59 PolarHBondContact O-N 3.31Å; L55-W83 HydrophobicContact CD2-CB 4.18Å; L55-F87 HydrophobicContact CD2-CB 4.26Å
56	E	93	Very high	89.7	Confident	120 Å²	120	46 Å²	46	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-61.1	-45.7	175.1	-176.9	-177	-135.2	0	0	111.4	F52 T53 F54 E59 S60	F52-E56 WeakPolarHBondContact O-CB 3.33Å; F52-E56 PolarHBondContact O-N 2.76Å; T53-E56 PolarHBondContact O-N 3.05Å; F54-E56 VanDerWaalsContact C-N 3.33Å; F54-E56 PolarHBondContact O-N 3.21Å; E56-E59 PolarHBondContact O-N 3.49Å; E56-S60 WeakPolarHBondContact O-CB 3.48Å; E56-S60 PolarHBondContact O-N 2.9Å; E56-S60 PolarHBondContact O-OG 3.09Å
57	Q	92.5	Very high	90	Very high	49 Å²	49	45.2 Å²	45.2	23%	0.229	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-38.4	177.1	-65.8	-53.3	-47.7	0	0	111.9	T53 F54 E59 N61 V66 P220 V222	T53-Q57 VanDerWaalsContact O-CG 3.28Å; T53-Q57 WeakPolarHBondContact O-CG 3.29Å; T53-Q57 PolarHBondContact O-N 2.7Å; F54-Q57 PolarHBondContact O-N 3.39Å; Q57-E59 VanDerWaalsContact C-N 3.32Å; Q57-E59 PolarHBondContact O-N 2.82Å; Q57-N61 WeakPolarHBondContact O-CB 3.16Å; Q57-N61 PolarHBondContact O-N 3.37Å; Q57-V66 HydrophobicContact CB-CG1 4.29Å; Q57-V66 HydrophobicContact CB-CG2 4.17Å; Q57-P220 HydrophobicContact CG-CB 4.3Å; Q57-V222 HydrophobicContact CG-CG2 4.35Å
58	L	90.1	Very high	90.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-39.3	176.9	-172.5	65.8	0	0	0	111.8	F54 L55 F87 R199 V201	F54-L58 HydrophobicContact CE1-CD2 4.16Å; F54-L58 HydrophobicContact CZ-CD2 4.14Å; F54-L58 WeakPolarHBondContact O-CB 3.41Å; F54-L58 PolarHBondContact O-N 2.96Å; L55-L58 PolarHBondContact O-N 3.44Å; L58-F87 HydrophobicContact CD2-CB 4.16Å; L58-F87 HydrophobicContact CD2-CD1 3.88Å; L58-F87 HydrophobicContact CD2-CD2 4.32Å; L58-F87 HydrophobicContact CD2-CE1 4.36Å; L58-F87 HydrophobicContact CD2-CG 3.85Å; L58-F87 HydrophobicContact CG-CD1 4.43Å; L58-F87 HydrophobicContact CG-CE1 4.43Å; L58-R199 HydrophobicContact CD1-CB 3.7Å; L58-R199 HydrophobicContact CD1-CG 4.08Å; L58-R199 PolarHBondContact O-NE 3.44Å; L58-R199 PolarHBondContact O-NH1 2.84Å; L58-R199 VanDerWaalsContact O-NH1 3.12Å; L58-V201 HydrophobicContact CD1-CG2 3.79Å
59	E	87.4	Confident	90.3	Very high	75 Å²	75	43 Å²	43	35%	0.35	25%	0.245	S	C	.	.	H	α-helix	trans	-74.3	-51.5	179.5	169.1	162.6	-162.6	0	0	113	L6 L55 E56 Q57 F87 R91 R199	L6-E59 WeakPolarHBondContact CD1-OE2 3.3Å; L55-E59 WeakPolarHBondContact O-CB 3.48Å; L55-E59 PolarHBondContact O-N 3.31Å; E56-E59 PolarHBondContact O-N 3.49Å; Q57-E59 VanDerWaalsContact C-N 3.32Å; Q57-E59 PolarHBondContact O-N 2.82Å; E59-F87 HydrophobicContact CB-CE2 4.06Å; E59-R91 IonicContact OE1-CZ 2.71Å; E59-R91 IonicContact OE1-NH2 3.55Å; E59-R91 PolarHBondContact OE1-NH2 3.33Å; E59-R91 IonicContact OE2-NH2 2.94Å; E59-R199 PolarHBondContact O-NH2 3.09Å
60	S	83.9	Confident	90.2	Very high	75 Å²	75	39.5 Å²	39.5	52%	0.524	22%	0.216	S	C	.	.	H	α-helix	trans	-91.2	-11.9	-163.6	64.5	0	0	0	0	114.6	E56 P62	E56-S60 WeakPolarHBondContact O-CB 3.48Å; E56-S60 PolarHBondContact O-N 2.9Å; E56-S60 PolarHBondContact O-OG 3.09Å; S60-P62 WeakPolarHBondContact O-CD 3.39Å
61	N	78.7	Confident	90	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.053	22%	0.22	C	C	.	.			trans	-74.5	121.9	-170.9	178.7	14	0	0	0	112.6	Q57 T63 G64 V65 R199 P220	Q57-N61 WeakPolarHBondContact O-CB 3.16Å; Q57-N61 PolarHBondContact O-N 3.37Å; N61-T63 VanDerWaalsContact C-N 3.32Å; N61-T63 PolarHBondContact ND2-OG1 3.48Å; N61-T63 PolarHBondContact O-N 3.44Å; N61-T63 PolarHBondContact OD1-N 3Å; N61-T63 PolarHBondContact OD1-OG1 3.04Å; N61-T63 VanDerWaalsContact OD1-OG1 3.07Å; N61-G64 PolarHBondContact O-N 3.13Å; N61-V65 PolarHBondContact ND2-N 2.9Å; N61-V65 PolarHBondContact ND2-O 3.43Å; N61-R199 PolarHBondContact O-NH1 3.08Å; N61-P220 HydrophobicContact CB-CG 4.35Å; N61-P220 WeakPolarHBondContact ND2-CD 3.42Å
62	P	71.8	Confident	89.5	Confident	122 Å²	122	40.6 Å²	40.6	79%	0.792	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.6	179.1	28.6	-36.4	0	0	0	114.4	S60 G64	S60-P62 WeakPolarHBondContact O-CD 3.39Å; P62-G64 VanDerWaalsContact C-N 3.32Å
63	T	75.6	Confident	89	Confident	65 Å²	65	35.5 Å²	35.5	40%	0.399	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-14	-179.4	68.5	0	0	0	0	113.3	N61 V65	N61-T63 VanDerWaalsContact C-N 3.32Å; N61-T63 PolarHBondContact ND2-OG1 3.48Å; N61-T63 PolarHBondContact O-N 3.44Å; N61-T63 PolarHBondContact OD1-N 3Å; N61-T63 PolarHBondContact OD1-OG1 3.04Å; N61-T63 VanDerWaalsContact OD1-OG1 3.07Å; T63-V65 PolarHBondContact O-N 3.31Å; T63-V65 PolarHBondContact OG1-N 3.04Å
64	G	83.9	Confident	88.7	Confident	7 Å²	7	32.4 Å²	32.4	7%	0.072	19%	0.194	C	C	.	.	S	Bend	trans	74.5	-5.3	-174.5	0	0	0	0	0	115	N61 P62 R199 V200	N61-G64 PolarHBondContact O-N 3.13Å; P62-G64 VanDerWaalsContact C-N 3.32Å; G64-R199 CarbonylContact O-C 3.54Å; G64-R199 WeakPolarHBondContact O-CA 3.26Å; G64-V200 PolarHBondContact O-N 3.34Å
65	V	90.8	Very high	88.4	Confident	16 Å²	16	32.7 Å²	32.7	10%	0.097	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.5	-173.5	-175.8	0	0	0	0	112.3	N61 T63 V200 W216 P219	N61-V65 PolarHBondContact ND2-N 2.9Å; N61-V65 PolarHBondContact ND2-O 3.43Å; T63-V65 PolarHBondContact O-N 3.31Å; T63-V65 PolarHBondContact OG1-N 3.04Å; V65-V200 CarbonylContact C-O 3.53Å; V65-V200 VanDerWaalsContact CA-O 3.29Å; V65-V200 WeakPolarHBondContact CA-O 3.33Å; V65-V200 HydrophobicContact CG2-CB 4.26Å; V65-W216 HydrophobicContact CB-CE3 4.46Å; V65-W216 HydrophobicContact CG1-CD2 3.95Å; V65-W216 HydrophobicContact CG1-CE3 3.96Å; V65-W216 HydrophobicContact CG1-CG 4.22Å; V65-W216 HydrophobicContact CG1-CZ3 4.48Å; V65-W216 HydrophobicContact CG2-CE3 3.88Å; V65-W216 HydrophobicContact CG2-CZ3 3.92Å; V65-P219 HydrophobicContact CB-CB 4.38Å; V65-P219 HydrophobicContact CG1-CB 4.27Å; V65-P219 WeakPolarHBondContact O-CB 3.4Å
66	V	95.1	Very high	88.4	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.9	175	-178.8	0	0	0	0	110.1	F54 Q57 V68 V200 V201 V202 V222	F54-V66 HydrophobicContact CD2-CG1 4.43Å; F54-V66 HydrophobicContact CE2-CG1 4.49Å; Q57-V66 HydrophobicContact CB-CG1 4.29Å; Q57-V66 HydrophobicContact CB-CG2 4.17Å; V66-V68 HydrophobicContact CG1-CG2 4.34Å; V66-V200 PolarHBondContact N-O 2.82Å; V66-V201 WeakPolarHBondContact O-CA 3.38Å; V66-V202 PolarHBondContact O-N 3.47Å; V66-V222 HydrophobicContact CG1-CG2 3.96Å
67	L	96.6	Very high	88.4	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.4	170.3	-61.9	-179	0	0	0	109.9	V202 L212 R213 P219 P220 I221 V222	L67-V202 WeakPolarHBondContact CA-O 3.47Å; L67-V202 HydrophobicContact CD2-CB 3.56Å; L67-V202 HydrophobicContact CD2-CG1 4.13Å; L67-V202 HydrophobicContact CD2-CG2 4.03Å; L67-L212 HydrophobicContact CD1-CB 4.37Å; L67-L212 HydrophobicContact CD2-CB 4.43Å; L67-R213 HydrophobicContact CD1-CB 4.04Å; L67-P219 HydrophobicContact CD1-CG 3.43Å; L67-P219 VanDerWaalsContact CD1-CG 3.43Å; L67-P219 HydrophobicContact CD2-CG 4.24Å; L67-P219 HydrophobicContact CG-CB 4.44Å; L67-P219 HydrophobicContact CG-CG 3.44Å; L67-P219 VanDerWaalsContact CG-CG 3.44Å; L67-P220 PolarHBondContact N-O 2.89Å; L67-I221 HydrophobicContact CB-CG1 4.25Å; L67-I221 HydrophobicContact CB-CG2 4.35Å; L67-I221 HydrophobicContact CD1-CG1 4.36Å; L67-I221 CarbonylContact O-C 3.58Å; L67-I221 WeakPolarHBondContact O-CA 3.33Å; L67-V222 PolarHBondContact O-N 3.34Å
68	V	97.4	Very high	88.5	Confident	2 Å²	2	25 Å²	25	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.1	172.8	-172.4	0	0	0	0	109.1	F54 V66 I80 V201 V202 V203 T204 V222 I224	F54-V68 HydrophobicContact CD2-CG2 3.84Å; F54-V68 HydrophobicContact CE2-CG2 3.87Å; V66-V68 HydrophobicContact CG1-CG2 4.34Å; V68-I80 HydrophobicContact CB-CD1 3.94Å; V68-I80 HydrophobicContact CG1-CD1 3.63Å; V68-I80 HydrophobicContact CG2-CD1 4.13Å; V68-V201 HydrophobicContact CG2-CG1 3.86Å; V68-V202 PolarHBondContact N-O 3.49Å; V68-V203 HydrophobicContact CB-CG2 4.46Å; V68-V203 WeakPolarHBondContact O-CA 3.39Å; V68-T204 PolarHBondContact O-N 3.45Å; V68-V222 HydrophobicContact CG1-CB 4.43Å; V68-V222 HydrophobicContact CG2-CB 4.3Å; V68-I224 HydrophobicContact CG1-CD1 3.98Å; V68-I224 HydrophobicContact CG1-CG1 4.29Å
69	S	96.4	Very high	88.8	Confident	3 Å²	3	24.9 Å²	24.9	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.2	-175	173	0	0	0	0	110.7	E209 V222 I224	S69-E209 WeakPolarHBondContact CB-OE2 3.32Å; S69-E209 PolarHBondContact OG-OE2 2.7Å; S69-V222 PolarHBondContact N-O 3.35Å; S69-I224 PolarHBondContact O-N 3.46Å
70	G	92.7	Very high	89.3	Confident	3 Å²	3	21.4 Å²	21.4	3%	0.031	15%	0.147	C	C	.	.			trans	-168.7	158.4	176.4	0	0	0	0	0	112.3	K76 T204	G70-K76 WeakPolarHBondContact O-CE 3.42Å; G70-K76 PolarHBondContact O-NZ 2.9Å; G70-T204 PolarHBondContact N-O 3.48Å
71	E	89	Confident	89.8	Confident	29 Å²	29	17.9 Å²	17.9	14%	0.136	12%	0.122	C	C	.	.			trans	-60.1	157.5	177.5	-69	176.3	179.4	0	0	110.6	S74 K76 P206 R226 R231 L374	E71-S74 WeakPolarHBondContact O-CB 3.09Å; E71-S74 PolarHBondContact O-OG 3.1Å; E71-S74 VanDerWaalsContact O-OG 3.07Å; E71-K76 PolarHBondContact O-NZ 3.28Å; E71-P206 HydrophobicContact CG-CG 4.27Å; E71-R226 IonicContact OE1-CZ 2.95Å; E71-R226 IonicContact OE1-NE 3.68Å; E71-R226 PolarHBondContact OE1-NE 2.87Å; E71-R231 IonicContact OE1-CZ 2.67Å; E71-R231 IonicContact OE1-NH2 2.73Å; E71-R231 PolarHBondContact OE1-NH2 2.89Å; E71-R231 IonicContact OE2-NH2 3.05Å; E71-L374 HydrophobicContact CB-CD1 4.03Å; E71-L374 HydrophobicContact CG-CD1 4.11Å
72	P	85.8	Confident	90.7	Very high	22 Å²	22	17.5 Å²	17.5	14%	0.143	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	162.8	170.2	-27.8	36	0	0	0	110.5	S74 A371 R377	P72-S74 PolarHBondContact O-N 3.07Å; P72-A371 HydrophobicContact CG-CB 3.7Å; P72-R377 PolarHBondContact O-NH1 3.05Å; P72-R377 PolarHBondContact O-NH2 3.25Å
73	G	82.9	Confident	91.9	Very high	44 Å²	44	11.8 Å²	11.8	45%	0.454	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	6.7	174.6	0	0	0	0	0	117.2	G75 R377	G73-G75 PolarHBondContact O-N 3.27Å; G73-R377 VanDerWaalsContact CA-NH2 3.32Å
74	S	88.7	Confident	92.8	Very high	4 Å²	4	8.7 Å²	8.7	3%	0.028	6%	0.064	C	C	.	.	S	Bend	trans	-79.2	-3.3	178.2	71.7	0	0	0	0	114.2	I47 E71 P72 K76	I47-S74 WeakPolarHBondContact CB-O 3.37Å; I47-S74 VanDerWaalsContact CG2-O 3.24Å; I47-S74 WeakPolarHBondContact CG2-O 3.48Å; I47-S74 PolarHBondContact N-O 3.34Å; I47-S74 VanDerWaalsContact N-O 3.15Å; E71-S74 WeakPolarHBondContact O-CB 3.09Å; E71-S74 PolarHBondContact O-OG 3.1Å; E71-S74 VanDerWaalsContact O-OG 3.07Å; P72-S74 PolarHBondContact O-N 3.07Å; S74-K76 VanDerWaalsContact OG-CG 3.25Å; S74-K76 WeakPolarHBondContact OG-CG 3.39Å
75	G	90	Very high	93.2	Very high	9 Å²	9	8.3 Å²	8.3	9%	0.093	6%	0.06	C	C	.	.	S	Bend	trans	96.7	9	-178.1	0	0	0	0	0	115.9	G73 T78 Q79	G73-G75 PolarHBondContact O-N 3.27Å; G75-T78 PolarHBondContact O-N 3.38Å; G75-T78 PolarHBondContact O-OG1 2.76Å; G75-Q79 WeakPolarHBondContact O-CB 3.38Å; G75-Q79 WeakPolarHBondContact O-CG 3.45Å; G75-Q79 PolarHBondContact O-N 3.41Å
76	K	93.6	Very high	93.3	Very high	8 Å²	8	8.8 Å²	8.8	4%	0.035	6%	0.061	C	C	.	.	H	α-helix	trans	-53.9	-59.1	-176.2	-53.6	-167.9	-60.7	-75.6	0	113.5	I47 G70 E71 S74 T78 Q79 I80 V203 T204 I224	I47-K76 HydrophobicContact CD1-CB 4.3Å; I47-K76 HydrophobicContact CD1-CG 4.21Å; G70-K76 WeakPolarHBondContact O-CE 3.42Å; G70-K76 PolarHBondContact O-NZ 2.9Å; E71-K76 PolarHBondContact O-NZ 3.28Å; S74-K76 VanDerWaalsContact OG-CG 3.25Å; S74-K76 WeakPolarHBondContact OG-CG 3.39Å; K76-T78 PolarHBondContact O-N 3.03Å; K76-Q79 PolarHBondContact O-N 3.42Å; K76-I80 HydrophobicContact CB-CD1 3.94Å; K76-I80 VanDerWaalsContact O-CB 3.32Å; K76-I80 WeakPolarHBondContact O-CB 3.43Å; K76-I80 WeakPolarHBondContact O-CG1 3.49Å; K76-I80 PolarHBondContact O-N 3.46Å; K76-I80 VanDerWaalsContact O-N 3.08Å; K76-V203 HydrophobicContact CB-CG1 3.57Å; K76-V203 HydrophobicContact CD-CG1 3.66Å; K76-V203 HydrophobicContact CG-CG1 4.16Å; K76-T204 WeakPolarHBondContact CE-O 3.3Å; K76-I224 HydrophobicContact CD-CD1 3.69Å; K76-I224 HydrophobicContact CG-CD1 3.41Å; K76-I224 VanDerWaalsContact CG-CD1 3.41Å
77	S	93.9	Very high	93.1	Very high	10 Å²	10	9.2 Å²	9.2	7%	0.07	6%	0.063	C	C	.	.	H	α-helix	trans	-72	-14.4	-170.7	-50.6	0	0	0	0	114	P81 D170 S330	S77-P81 WeakPolarHBondContact O-CG 3.46Å; S77-D170 WeakPolarHBondContact CA-OD2 3.47Å; S77-D170 WeakPolarHBondContact CB-OD2 3.28Å; S77-D170 PolarHBondContact OG-OD1 3.18Å; S77-D170 PolarHBondContact OG-OD2 2.89Å; S77-S330 VanDerWaalsContact CB-OG 3.31Å; S77-S330 WeakPolarHBondContact CB-OG 3.5Å; S77-S330 PolarHBondContact OG-OG 2.61Å
78	T	94.2	Very high	92.6	Very high	17 Å²	17	9.2 Å²	9.2	10%	0.104	6%	0.063	C	C	.	.	H	α-helix	trans	-100.5	-42.2	174.5	53.9	0	0	0	0	112.5	G75 K76 Q82 L111 R114 V115	G75-T78 PolarHBondContact O-N 3.38Å; G75-T78 PolarHBondContact O-OG1 2.76Å; K76-T78 PolarHBondContact O-N 3.03Å; T78-Q82 WeakPolarHBondContact O-CG 3.27Å; T78-Q82 PolarHBondContact O-NE2 2.58Å; T78-L111 HydrophobicContact CG2-CD2 3.93Å; T78-R114 HydrophobicContact CG2-CG 4.08Å; T78-V115 HydrophobicContact CG2-CG2 4.31Å
79	Q	96.3	Very high	92.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-88	-38.1	-171.7	-54.3	-45.7	-71.2	0	0	113.7	L45 I47 G75 K76 Q82 W83 E118	L45-Q79 HydrophobicContact CD1-CG 4Å; I47-Q79 HydrophobicContact CG2-CB 3.87Å; I47-Q79 HydrophobicContact CG2-CG 3.63Å; G75-Q79 WeakPolarHBondContact O-CB 3.38Å; G75-Q79 WeakPolarHBondContact O-CG 3.45Å; G75-Q79 PolarHBondContact O-N 3.41Å; K76-Q79 PolarHBondContact O-N 3.42Å; Q79-Q82 PolarHBondContact O-N 3.38Å; Q79-W83 HydrophobicContact CB-CD2 4.47Å; Q79-W83 HydrophobicContact CB-CH2 4.1Å; Q79-W83 HydrophobicContact CB-CZ2 3.77Å; Q79-W83 VanDerWaalsContact O-CG 3.31Å; Q79-W83 PolarHBondContact O-N 3.04Å; Q79-W83 VanDerWaalsContact O-N 3.11Å; Q79-E118 PolarHBondContact NE2-OE2 2.91Å
80	I	97.2	Very high	91.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-58.6	-47.5	-179.8	-64.6	168.7	0	0	0	111.3	I47 F54 V68 K76 Q82 W83 C84 V168 V201 V203	I47-I80 HydrophobicContact CD1-CD1 3.92Å; I47-I80 HydrophobicContact CD1-CG1 3.61Å; F54-I80 HydrophobicContact CE1-CG2 4.44Å; F54-I80 HydrophobicContact CE2-CG2 4.18Å; F54-I80 HydrophobicContact CZ-CG2 3.8Å; V68-I80 HydrophobicContact CB-CD1 3.94Å; V68-I80 HydrophobicContact CG1-CD1 3.63Å; V68-I80 HydrophobicContact CG2-CD1 4.13Å; K76-I80 HydrophobicContact CB-CD1 3.94Å; K76-I80 VanDerWaalsContact O-CB 3.32Å; K76-I80 WeakPolarHBondContact O-CB 3.43Å; K76-I80 WeakPolarHBondContact O-CG1 3.49Å; K76-I80 PolarHBondContact O-N 3.46Å; K76-I80 VanDerWaalsContact O-N 3.08Å; I80-Q82 VanDerWaalsContact C-N 3.29Å; I80-Q82 PolarHBondContact O-N 3.29Å; I80-W83 PolarHBondContact O-N 3.5Å; I80-C84 PolarHBondContact O-N 3.18Å; I80-C84 PolarHBondContact O-SG 3.41Å; I80-V168 HydrophobicContact CG2-CG1 4.33Å; I80-V201 HydrophobicContact CG2-CG1 3.95Å; I80-V203 HydrophobicContact CD1-CB 4.42Å; I80-V203 HydrophobicContact CD1-CG1 3.92Å; I80-V203 HydrophobicContact CD1-CG2 3.59Å; I80-V203 HydrophobicContact CG2-CG2 4.38Å
81	P	96.3	Very high	91	Very high	1 Å²	1	21 Å²	21	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-57.4	-39.1	177.5	-29.5	39.6	0	0	0	114.2	S77 C84 A85 V100 L143 F145	S77-P81 WeakPolarHBondContact O-CG 3.46Å; P81-C84 WeakPolarHBondContact O-CB 3.3Å; P81-C84 PolarHBondContact O-N 2.82Å; P81-A85 PolarHBondContact O-N 2.89Å; P81-V100 HydrophobicContact CB-CG2 3.75Å; P81-V100 HydrophobicContact CG-CG1 4.28Å; P81-V100 HydrophobicContact CG-CG2 3.75Å; P81-L143 HydrophobicContact CB-CD1 3.83Å; P81-L143 HydrophobicContact CB-CD2 3.98Å; P81-F145 HydrophobicContact CB-CE1 4.4Å; P81-F145 HydrophobicContact CB-CZ 3.82Å; P81-F145 HydrophobicContact CG-CE1 4Å; P81-F145 HydrophobicContact CG-CZ 3.86Å
82	Q	96.4	Very high	90.1	Very high	3 Å²	3	22 Å²	22	1%	0.014	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-45.5	179.3	-65.4	-178.9	61.9	0	0	111	T78 Q79 I80 C84 A85 E86 V115 E118 M119	T78-Q82 WeakPolarHBondContact O-CG 3.27Å; T78-Q82 PolarHBondContact O-NE2 2.58Å; Q79-Q82 PolarHBondContact O-N 3.38Å; I80-Q82 VanDerWaalsContact C-N 3.29Å; I80-Q82 PolarHBondContact O-N 3.29Å; Q82-C84 VanDerWaalsContact C-N 3.31Å; Q82-C84 PolarHBondContact O-N 3.37Å; Q82-A85 WeakPolarHBondContact O-CB 3.49Å; Q82-A85 PolarHBondContact O-N 3Å; Q82-E86 WeakPolarHBondContact O-CG 3.48Å; Q82-E86 PolarHBondContact O-N 3.48Å; Q82-V115 HydrophobicContact CG-CG1 3.68Å; Q82-E118 PolarHBondContact NE2-OE2 2.92Å; Q82-M119 HydrophobicContact CB-SD 4.49Å; Q82-M119 HydrophobicContact CG-CG 3.8Å; Q82-M119 HydrophobicContact CG-SD 3.76Å; Q82-M119 VanDerWaalsContact OE1-CG 3.3Å
83	W	96.5	Very high	89.3	Confident	1 Å²	1	24.1 Å²	24.1	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-35.1	177.1	-57.5	-23.2	0	0	0	112.6	I47 W48 R51 F54 L55 Q79 I80 A85 F87	I47-W83 HydrophobicContact CB-CH2 4.35Å; I47-W83 HydrophobicContact CD1-CH2 4.28Å; I47-W83 HydrophobicContact CD1-CZ3 4.07Å; I47-W83 HydrophobicContact CG1-CH2 3.69Å; I47-W83 HydrophobicContact CG1-CZ3 3.8Å; I47-W83 HydrophobicContact CG2-CH2 4.1Å; I47-W83 WeakPolarHBondContact O-CH2 3.14Å; W48-W83 HydrophobicContact CE3-CZ2 4.11Å; W48-W83 HydrophobicContact CZ3-CZ2 4.44Å; R51-W83 HydrophobicContact CB-CD2 4.43Å; R51-W83 HydrophobicContact CB-CH2 3.75Å; R51-W83 HydrophobicContact CB-CZ2 3.7Å; R51-W83 HydrophobicContact CB-CZ3 4.19Å; R51-W83 HydrophobicContact CG-CD2 3.9Å; R51-W83 HydrophobicContact CG-CE3 4.36Å; R51-W83 HydrophobicContact CG-CG 4.29Å; R51-W83 HydrophobicContact CG-CH2 4.25Å; R51-W83 HydrophobicContact CG-CZ2 3.83Å; F54-W83 HydrophobicContact CD1-CB 4.25Å; F54-W83 AromaticContact CD1-CE3 3.68Å; F54-W83 HydrophobicContact CD1-CE3 3.68Å; F54-W83 HydrophobicContact CD1-CZ3 4.44Å; F54-W83 HydrophobicContact CE1-CB 3.99Å; F54-W83 HydrophobicContact CE1-CE3 4.19Å; F54-W83 HydrophobicContact CG-CE3 4.3Å; L55-W83 HydrophobicContact CD2-CB 4.18Å; Q79-W83 HydrophobicContact CB-CD2 4.47Å; Q79-W83 HydrophobicContact CB-CH2 4.1Å; Q79-W83 HydrophobicContact CB-CZ2 3.77Å; Q79-W83 VanDerWaalsContact O-CG 3.31Å; Q79-W83 PolarHBondContact O-N 3.04Å; Q79-W83 VanDerWaalsContact O-N 3.11Å; I80-W83 PolarHBondContact O-N 3.5Å; W83-A85 VanDerWaalsContact C-N 3.34Å; W83-F87 WeakPolarHBondContact O-CB 3.39Å; W83-F87 PolarHBondContact O-N 2.82Å
84	C	95.1	Very high	87.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-42.1	170	-67.4	0	0	0	0	111.3	I80 P81 Q82 F87 V88 V98 V166	I80-C84 PolarHBondContact O-N 3.18Å; I80-C84 PolarHBondContact O-SG 3.41Å; P81-C84 WeakPolarHBondContact O-CB 3.3Å; P81-C84 PolarHBondContact O-N 2.82Å; Q82-C84 VanDerWaalsContact C-N 3.31Å; Q82-C84 PolarHBondContact O-N 3.37Å; C84-F87 PolarHBondContact O-N 3.46Å; C84-V88 WeakPolarHBondContact O-CB 3.14Å; C84-V88 VanDerWaalsContact O-CG2 3.29Å; C84-V88 WeakPolarHBondContact O-CG2 3.31Å; C84-V88 PolarHBondContact O-N 2.93Å; C84-V98 HydrophobicContact CB-CG1 3.73Å; C84-V98 HydrophobicContact CB-CG2 3.91Å; C84-V166 HydrophobicContact CB-CB 4.35Å; C84-V166 HydrophobicContact CB-CG1 4.1Å; C84-V166 HydrophobicContact CB-CG2 4.5Å
85	A	93.2	Very high	86	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-43.2	178.9	0	0	0	0	0	111.7	F26 P81 Q82 W83 F87 V88 L89 V98 M119 L142 L143	F26-A85 HydrophobicContact CE1-CB 4.19Å; F26-A85 HydrophobicContact CZ-CB 4.28Å; P81-A85 PolarHBondContact O-N 2.89Å; Q82-A85 WeakPolarHBondContact O-CB 3.49Å; Q82-A85 PolarHBondContact O-N 3Å; W83-A85 VanDerWaalsContact C-N 3.34Å; A85-F87 PolarHBondContact O-N 3.48Å; A85-V88 PolarHBondContact O-N 3.3Å; A85-L89 WeakPolarHBondContact O-CB 3.42Å; A85-L89 PolarHBondContact O-N 2.87Å; A85-V98 HydrophobicContact CB-CG2 4.3Å; A85-M119 HydrophobicContact CB-CE 4.45Å; A85-L142 HydrophobicContact CB-CD2 4.29Å; A85-L143 HydrophobicContact CB-CB 4.43Å
86	E	92	Very high	84.4	Confident	26 Å²	26	38.7 Å²	38.7	12%	0.121	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-45.4	172.2	-70.6	165.8	-158.1	0	0	111.7	F26 R51 Q82 L89 A90	F26-E86 HydrophobicContact CZ-CG 4.25Å; R51-E86 IonicContact CZ-OE2 3.28Å; R51-E86 IonicContact NE-OE2 3.38Å; R51-E86 IonicContact NH2-OE1 3.48Å; R51-E86 IonicContact NH2-OE2 2.65Å; R51-E86 PolarHBondContact NH2-OE2 3.14Å; Q82-E86 WeakPolarHBondContact O-CG 3.48Å; Q82-E86 PolarHBondContact O-N 3.48Å; E86-L89 PolarHBondContact O-N 3.23Å; E86-A90 VanDerWaalsContact O-CB 3.3Å; E86-A90 WeakPolarHBondContact O-CB 3.45Å; E86-A90 PolarHBondContact O-N 2.66Å
87	F	90.4	Very high	83.6	Confident	10 Å²	10	41.3 Å²	41.3	4%	0.044	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-47.9	177.7	170.5	-96.7	0	0	0	112.1	L55 L58 E59 W83 C84 A85 A90 R91 V166	L55-F87 HydrophobicContact CD2-CB 4.26Å; L58-F87 HydrophobicContact CD2-CB 4.16Å; L58-F87 HydrophobicContact CD2-CD1 3.88Å; L58-F87 HydrophobicContact CD2-CD2 4.32Å; L58-F87 HydrophobicContact CD2-CE1 4.36Å; L58-F87 HydrophobicContact CD2-CG 3.85Å; L58-F87 HydrophobicContact CG-CD1 4.43Å; L58-F87 HydrophobicContact CG-CE1 4.43Å; E59-F87 HydrophobicContact CB-CE2 4.06Å; W83-F87 WeakPolarHBondContact O-CB 3.39Å; W83-F87 PolarHBondContact O-N 2.82Å; C84-F87 PolarHBondContact O-N 3.46Å; A85-F87 PolarHBondContact O-N 3.48Å; F87-A90 PolarHBondContact O-N 3.29Å; F87-R91 HydrophobicContact CE1-CG 4.45Å; F87-R91 HydrophobicContact CE2-CG 4.19Å; F87-R91 HydrophobicContact CZ-CG 4.15Å; F87-R91 WeakPolarHBondContact O-CB 3.05Å; F87-R91 VanDerWaalsContact O-CG 3.31Å; F87-R91 WeakPolarHBondContact O-CG 3.25Å; F87-R91 PolarHBondContact O-N 2.93Å; F87-R91 VanDerWaalsContact O-N 3.12Å; F87-V166 HydrophobicContact CD1-CG2 4.24Å
88	V	87.6	Confident	83.5	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-43.9	179.2	168.4	0	0	0	0	111	C84 A85 R91 G92 F93 G96 V98 L142 V166	C84-V88 WeakPolarHBondContact O-CB 3.14Å; C84-V88 VanDerWaalsContact O-CG2 3.29Å; C84-V88 WeakPolarHBondContact O-CG2 3.31Å; C84-V88 PolarHBondContact O-N 2.93Å; A85-V88 PolarHBondContact O-N 3.3Å; V88-R91 PolarHBondContact O-N 3.03Å; V88-G92 PolarHBondContact O-N 3.24Å; V88-F93 HydrophobicContact CG1-CB 3.66Å; V88-F93 HydrophobicContact CG1-CD2 4.4Å; V88-F93 HydrophobicContact CG1-CG 4.08Å; V88-F93 PolarHBondContact O-N 3.17Å; V88-G96 WeakPolarHBondContact CG1-O 3.26Å; V88-V98 HydrophobicContact CB-CG2 4.33Å; V88-V98 HydrophobicContact CG2-CG2 3.79Å; V88-L142 HydrophobicContact CG1-CD1 3.9Å; V88-V166 HydrophobicContact CG2-CG2 3.64Å
89	L	86.2	Confident	83.5	Confident	71 Å²	71	40 Å²	40	37%	0.372	20%	0.204	S	C	.	.	H	α-helix	trans	-61.3	-48.4	176.8	-175.4	67.1	0	0	0	111.3	P25 F26 A85 E86 R91 G92	P25-L89 HydrophobicContact CB-CD2 4Å; P25-L89 HydrophobicContact CG-CD2 4.31Å; F26-L89 HydrophobicContact CD1-CD2 3.85Å; F26-L89 HydrophobicContact CE1-CB 4.27Å; F26-L89 HydrophobicContact CE1-CD2 3.72Å; F26-L89 HydrophobicContact CG-CD2 4.37Å; F26-L89 HydrophobicContact CZ-CD2 4.14Å; A85-L89 WeakPolarHBondContact O-CB 3.42Å; A85-L89 PolarHBondContact O-N 2.87Å; E86-L89 PolarHBondContact O-N 3.23Å; L89-R91 PolarHBondContact O-N 3.42Å; L89-G92 PolarHBondContact O-N 2.9Å
90	A	85.4	Confident	83.5	Confident	58 Å²	58	40 Å²	40	48%	0.479	20%	0.204	S	C	.	.	H	α-helix	trans	-62.8	-30.1	-179.1	0	0	0	0	0	113.2	L6 E86 F87 G92	L6-A90 HydrophobicContact CD2-CB 3.89Å; E86-A90 VanDerWaalsContact O-CB 3.3Å; E86-A90 WeakPolarHBondContact O-CB 3.45Å; E86-A90 PolarHBondContact O-N 2.66Å; F87-A90 PolarHBondContact O-N 3.29Å; A90-G92 VanDerWaalsContact C-N 3.28Å
91	R	80.3	Confident	83.4	Confident	127 Å²	127	40 Å²	40	48%	0.479	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.5	176.9	-74.4	-72	-173.2	172.9	-0.7	113.7	E59 F87 V88 L89 F93	E59-R91 IonicContact OE1-CZ 2.71Å; E59-R91 IonicContact OE1-NH2 3.55Å; E59-R91 PolarHBondContact OE1-NH2 3.33Å; E59-R91 IonicContact OE2-NH2 2.94Å; F87-R91 HydrophobicContact CE1-CG 4.45Å; F87-R91 HydrophobicContact CE2-CG 4.19Å; F87-R91 HydrophobicContact CZ-CG 4.15Å; F87-R91 WeakPolarHBondContact O-CB 3.05Å; F87-R91 VanDerWaalsContact O-CG 3.31Å; F87-R91 WeakPolarHBondContact O-CG 3.25Å; F87-R91 PolarHBondContact O-N 2.93Å; F87-R91 VanDerWaalsContact O-N 3.12Å; V88-R91 PolarHBondContact O-N 3.03Å; L89-R91 PolarHBondContact O-N 3.42Å; R91-F93 VanDerWaalsContact C-N 3.27Å; R91-F93 HydrophobicContact CB-CD2 3.39Å; R91-F93 HydrophobicContact CB-CE2 3.44Å; R91-F93 VanDerWaalsContact CB-CE2 3.44Å; R91-F93 HydrophobicContact CG-CD2 4.4Å; R91-F93 HydrophobicContact CG-CE2 4.02Å; R91-F93 PolarHBondContact O-N 3.01Å
92	G	71	Confident	83.3	Confident	50 Å²	50	40 Å²	40	52%	0.515	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	34.9	-178.8	0	0	0	0	0	112.4	V88 L89 A90 Q94	V88-G92 PolarHBondContact O-N 3.24Å; L89-G92 PolarHBondContact O-N 2.9Å; A90-G92 VanDerWaalsContact C-N 3.28Å; G92-Q94 WeakPolarHBondContact O-CG 3.44Å; G92-Q94 PolarHBondContact O-N 3.22Å
93	F	67.3	Low	83	Confident	65 Å²	65	40.2 Å²	40.2	29%	0.285	21%	0.206	S	C	.	.			trans	-57.8	102.2	171.4	-84.8	-109.9	0	0	0	107.8	V88 R91 K95	V88-F93 HydrophobicContact CG1-CB 3.66Å; V88-F93 HydrophobicContact CG1-CD2 4.4Å; V88-F93 HydrophobicContact CG1-CG 4.08Å; V88-F93 PolarHBondContact O-N 3.17Å; R91-F93 VanDerWaalsContact C-N 3.27Å; R91-F93 HydrophobicContact CB-CD2 3.39Å; R91-F93 HydrophobicContact CB-CE2 3.44Å; R91-F93 VanDerWaalsContact CB-CE2 3.44Å; R91-F93 HydrophobicContact CG-CD2 4.4Å; R91-F93 HydrophobicContact CG-CE2 4.02Å; R91-F93 PolarHBondContact O-N 3.01Å; F93-K95 PolarHBondContact O-N 2.87Å
94	Q	51.5	Low	82.5	Confident	192 Å²	192	42.5 Å²	42.5	90%	0.897	22%	0.215	S	C	*	.	S	Bend	trans	-65	-16.5	-172.2	-64.9	-169.4	-14.4	0	0	113.1	G92	G92-Q94 WeakPolarHBondContact O-CG 3.44Å; G92-Q94 PolarHBondContact O-N 3.22Å
95	K	51.2	Low	82.1	Confident	168 Å²	168	44.3 Å²	44.3	73%	0.73	23%	0.227	S	C	*	.	S	Bend	trans	-150.3	14.7	-177.2	-64.2	-169.6	177.6	-176	0	114.3	F93 V163	F93-K95 PolarHBondContact O-N 2.87Å; K95-V163 HydrophobicContact CB-CG1 4Å; K95-V163 WeakPolarHBondContact O-CB 3.46Å; K95-V163 WeakPolarHBondContact O-CG1 3.33Å
96	G	56.5	Low	81.7	Confident	4 Å²	4	46.3 Å²	46.3	4%	0.041	24%	0.237	C	C	.	.			trans	-89.2	115	-176.1	0	0	0	0	0	111.3	V88 L142 V163	V88-G96 WeakPolarHBondContact CG1-O 3.26Å; G96-L142 WeakPolarHBondContact O-CD1 3.43Å; G96-V163 WeakPolarHBondContact CA-O 3.5Å
97	Q	77.1	Confident	81.4	Confident	62 Å²	62	45.1 Å²	45.1	29%	0.29	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	145.5	172.3	-68.7	-179.2	-19.1	0	0	110.5	T141 L142 V163 G165	Q97-T141 WeakPolarHBondContact CG-O 3.25Å; Q97-T141 PolarHBondContact NE2-O 3.14Å; Q97-L142 CarbonylContact C-O 3.49Å; Q97-L142 WeakPolarHBondContact CA-O 3.39Å; Q97-V163 PolarHBondContact N-O 2.77Å; Q97-G165 PolarHBondContact O-N 3.14Å
98	V	92.1	Very high	81.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	115.9	159.5	-178.4	0	0	0	0	106.9	C84 A85 V88 V100 L142 L143 R144 V166 V168	C84-V98 HydrophobicContact CB-CG1 3.73Å; C84-V98 HydrophobicContact CB-CG2 3.91Å; A85-V98 HydrophobicContact CB-CG2 4.3Å; V88-V98 HydrophobicContact CB-CG2 4.33Å; V88-V98 HydrophobicContact CG2-CG2 3.79Å; V98-V100 HydrophobicContact CG1-CG2 4.22Å; V98-L142 PolarHBondContact N-O 3.12Å; V98-L143 HydrophobicContact CB-CD1 3.8Å; V98-L143 HydrophobicContact CG1-CD1 3.59Å; V98-R144 PolarHBondContact O-N 3.08Å; V98-V166 WeakPolarHBondContact CA-O 3.49Å; V98-V166 HydrophobicContact CG2-CB 4.34Å; V98-V168 HydrophobicContact CG1-CG2 4.23Å
99	T	93.3	Very high	81.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127	173.9	-65	0	0	0	0	108.9	R144 C146 L151 V166 L167 V168	T99-R144 CarbonylContact C-O 3.54Å; T99-R144 WeakPolarHBondContact CA-O 3.5Å; T99-C146 VanDerWaalsContact CG2-SG 3.5Å; T99-L151 HydrophobicContact CG2-CD1 4.22Å; T99-L151 HydrophobicContact CG2-CD2 4.16Å; T99-V166 PolarHBondContact N-O 3.01Å; T99-L167 HydrophobicContact CG2-CD1 4.07Å; T99-L167 CarbonylContact O-C 3.54Å; T99-L167 WeakPolarHBondContact O-CA 3.35Å; T99-V168 PolarHBondContact O-N 3.38Å
100	V	96.1	Very high	81.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.2	177.6	-173.4	0	0	0	0	108.4	P81 V98 L143 R144 F145 C146 V168 D170	P81-V100 HydrophobicContact CB-CG2 3.75Å; P81-V100 HydrophobicContact CG-CG1 4.28Å; P81-V100 HydrophobicContact CG-CG2 3.75Å; V98-V100 HydrophobicContact CG1-CG2 4.22Å; V100-L143 HydrophobicContact CG2-CD1 3.73Å; V100-R144 PolarHBondContact N-O 3.27Å; V100-F145 HydrophobicContact CB-CD1 3.7Å; V100-F145 HydrophobicContact CB-CE1 3.88Å; V100-F145 HydrophobicContact CB-CG 4.28Å; V100-F145 HydrophobicContact CG1-CD1 3.77Å; V100-F145 HydrophobicContact CG1-CE1 3.75Å; V100-F145 HydrophobicContact CG2-CD1 4.25Å; V100-F145 HydrophobicContact CG2-CE1 4.03Å; V100-F145 HydrophobicContact CG2-CZ 4.31Å; V100-F145 CarbonylContact O-C 3.56Å; V100-F145 WeakPolarHBondContact O-CA 3.3Å; V100-C146 PolarHBondContact O-N 3.27Å; V100-V168 CarbonylContact C-O 3.58Å; V100-V168 WeakPolarHBondContact CA-O 3.14Å; V100-V168 HydrophobicContact CB-CB 4.29Å; V100-V168 HydrophobicContact CG1-CB 4.1Å; V100-V168 HydrophobicContact CG1-CG1 4.18Å; V100-V168 HydrophobicContact CG2-CB 4.03Å; V100-V168 HydrophobicContact CG2-CG2 4.18Å; V100-D170 HydrophobicContact CG1-CB 4.11Å
101	T	95.7	Very high	81.8	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139.8	175.3	62.1	0	0	0	0	110.8	C146 L151 L167 V168 L169 D170 L182	T101-C146 CarbonylContact C-O 3.59Å; T101-C146 WeakPolarHBondContact CA-O 3.36Å; T101-L151 HydrophobicContact CG2-CB 4.15Å; T101-L151 HydrophobicContact CG2-CD2 3.24Å; T101-L151 HydrophobicContact CG2-CG 4.3Å; T101-L167 HydrophobicContact CG2-CD1 4.23Å; T101-V168 PolarHBondContact N-O 2.67Å; T101-V168 PolarHBondContact OG1-O 2.68Å; T101-L169 HydrophobicContact CG2-CD2 3.95Å; T101-L169 WeakPolarHBondContact OG1-CA 3.23Å; T101-D170 WeakPolarHBondContact O-CB 3.34Å; T101-D170 PolarHBondContact O-N 3.38Å; T101-L182 HydrophobicContact CG2-CD1 4.33Å
102	Q	94.4	Very high	82.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.6	167.1	-67.3	-66.9	-40.2	0	0	109.7	Y104 A107 A108 L111 C146 D148 D170	Q102-Y104 PolarHBondContact O-N 3.25Å; Q102-A107 HydrophobicContact CB-CB 4.29Å; Q102-A107 HydrophobicContact CG-CB 4.49Å; Q102-A108 HydrophobicContact CB-CB 4.01Å; Q102-A108 HydrophobicContact CG-CB 4.13Å; Q102-L111 HydrophobicContact CG-CD1 3.92Å; Q102-C146 PolarHBondContact N-O 2.97Å; Q102-D148 PolarHBondContact O-N 2.88Å; Q102-D170 PolarHBondContact NE2-OD2 3.48Å
103	P	90.6	Very high	83.4	Confident	8 Å²	8	36.8 Å²	36.8	5%	0.052	17%	0.174	C	C	.	.	S	Bend	trans	-64.6	-19.4	178.6	-22.3	33.3	0	0	0	114.4	W147 D148 E171 E174	P103-W147 PolarHBondContact O-NE1 3.39Å; P103-D148 WeakPolarHBondContact CA-OD2 3.4Å; P103-E171 HydrophobicContact CG-CB 4Å; P103-E174 HydrophobicContact CB-CB 4.34Å; P103-E174 HydrophobicContact CG-CB 3.97Å; P103-E174 HydrophobicContact CG-CG 4.18Å
104	Y	86.3	Confident	84.5	Confident	49 Å²	49	36.9 Å²	36.9	19%	0.192	17%	0.172	C	C	.	.	S	Bend	trans	-134.1	140.2	-176.1	-62.8	-82.8	0	0	0	112.9	Q102 L106 A107 A108 W325 F329	Q102-Y104 PolarHBondContact O-N 3.25Å; Y104-L106 PolarHBondContact O-N 2.88Å; Y104-A107 PolarHBondContact O-N 3.38Å; Y104-A108 PolarHBondContact O-N 3.34Å; Y104-W325 HydrophobicContact CD1-CH2 4.27Å; Y104-W325 AromaticContact CD1-CZ3 3.89Å; Y104-W325 HydrophobicContact CD1-CZ3 3.89Å; Y104-W325 HydrophobicContact CE1-CE3 4.28Å; Y104-W325 AromaticContact CE1-CH2 3.53Å; Y104-W325 HydrophobicContact CE1-CH2 3.53Å; Y104-W325 AromaticContact CE1-CZ3 3.21Å; Y104-W325 HydrophobicContact CE1-CZ3 3.21Å; Y104-W325 HydrophobicContact CE2-CZ3 4.21Å; Y104-W325 AromaticContact CZ-CZ3 3.38Å; Y104-W325 WeakPolarHBondContact OH-CZ3 3.4Å; Y104-F329 HydrophobicContact CD1-CE2 4.36Å; Y104-F329 HydrophobicContact CD2-CD1 4.05Å; Y104-F329 AromaticContact CD2-CD2 3.34Å; Y104-F329 HydrophobicContact CD2-CD2 3.34Å; Y104-F329 AromaticContact CD2-CE1 3.92Å; Y104-F329 HydrophobicContact CD2-CE1 3.92Å; Y104-F329 AromaticContact CD2-CE2 3.18Å; Y104-F329 HydrophobicContact CD2-CE2 3.18Å; Y104-F329 AromaticContact CD2-CG 3.8Å; Y104-F329 HydrophobicContact CD2-CG 3.8Å; Y104-F329 AromaticContact CD2-CZ 3.53Å; Y104-F329 HydrophobicContact CD2-CZ 3.53Å; Y104-F329 HydrophobicContact CE1-CE2 4.23Å; Y104-F329 HydrophobicContact CE1-CZ 4.38Å; Y104-F329 AromaticContact CE2-CD1 3.88Å; Y104-F329 HydrophobicContact CE2-CD1 3.88Å; Y104-F329 AromaticContact CE2-CD2 3.68Å; Y104-F329 HydrophobicContact CE2-CD2 3.68Å; Y104-F329 AromaticContact CE2-CE1 3.3Å; Y104-F329 HydrophobicContact CE2-CE1 3.3Å; Y104-F329 AromaticContact CE2-CE2 3.06Å; Y104-F329 HydrophobicContact CE2-CE2 3.06Å; Y104-F329 HydrophobicContact CE2-CG 4.07Å; Y104-F329 AromaticContact CE2-CZ 2.88Å; Y104-F329 HydrophobicContact CE2-CZ 2.88Å; Y104-F329 HydrophobicContact CG-CD2 4.07Å; Y104-F329 AromaticContact CG-CE2 3.87Å; Y104-F329 HydrophobicContact CG-CE2 3.87Å; Y104-F329 AromaticContact CZ-CE2 3.59Å; Y104-F329 AromaticContact CZ-CZ 3.35Å; Y104-F329 WeakPolarHBondContact OH-CZ 3.34Å
105	P	87.1	Confident	86.6	Confident	39 Å²	39	27.7 Å²	27.7	25%	0.253	13%	0.129	S	C	.	.	H	α-helix	trans	-54.8	-45.3	179.2	-31.7	38.6	0	0	0	114.8	A107 A108 R109 I131 W147	P105-A107 VanDerWaalsContact C-N 3.28Å; P105-A107 PolarHBondContact O-N 3.37Å; P105-A108 PolarHBondContact O-N 3.36Å; P105-R109 PolarHBondContact O-N 2.68Å; P105-R109 VanDerWaalsContact O-N 3.07Å; P105-I131 HydrophobicContact CB-CB 3.99Å; P105-I131 HydrophobicContact CB-CD1 4.16Å; P105-I131 HydrophobicContact CB-CG2 4.04Å; P105-W147 HydrophobicContact CG-CD2 4.1Å; P105-W147 HydrophobicContact CG-CG 4.07Å
106	L	82.8	Confident	88.7	Confident	42 Å²	42	19.9 Å²	19.9	22%	0.22	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-34.9	-178.4	-70.3	172.1	0	0	0	112.2	Y104 S110 V308 L326 F331	Y104-L106 PolarHBondContact O-N 2.88Å; L106-S110 WeakPolarHBondContact O-CB 3.32Å; L106-S110 PolarHBondContact O-N 2.73Å; L106-V308 HydrophobicContact CD1-CG2 4.07Å; L106-V308 HydrophobicContact CD2-CG2 4.4Å; L106-L326 HydrophobicContact CD1-CD2 4.2Å; L106-F331 HydrophobicContact CB-CE1 4.34Å; L106-F331 HydrophobicContact CB-CZ 3.99Å
107	A	85.9	Confident	90.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.4	-43.9	176.2	0	0	0	0	0	111.3	Q102 Y104 P105 R109 S110 L111	Q102-A107 HydrophobicContact CB-CB 4.29Å; Q102-A107 HydrophobicContact CG-CB 4.49Å; Y104-A107 PolarHBondContact O-N 3.38Å; P105-A107 VanDerWaalsContact C-N 3.28Å; P105-A107 PolarHBondContact O-N 3.37Å; A107-R109 PolarHBondContact O-N 2.89Å; A107-S110 PolarHBondContact O-N 3.19Å; A107-L111 WeakPolarHBondContact O-CB 3.45Å; A107-L111 WeakPolarHBondContact O-CG 3.36Å; A107-L111 PolarHBondContact O-N 3.08Å
108	A	91.1	Very high	91.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.2	-50.3	175.5	0	0	0	0	0	112.1	Q102 Y104 P105 A112 I131 F145	Q102-A108 HydrophobicContact CB-CB 4.01Å; Q102-A108 HydrophobicContact CG-CB 4.13Å; Y104-A108 PolarHBondContact O-N 3.34Å; P105-A108 PolarHBondContact O-N 3.36Å; A108-A112 WeakPolarHBondContact O-CB 3.28Å; A108-A112 PolarHBondContact O-N 3.05Å; A108-I131 HydrophobicContact CB-CG2 3.81Å; A108-F145 HydrophobicContact CB-CB 4.23Å
109	R	89.5	Confident	91.5	Very high	62 Å²	62	19.4 Å²	19.4	23%	0.234	9%	0.094	C	C	.	.	H	α-helix	trans	-61	-46.7	177.3	174.2	173.6	167.7	176.6	-6.6	111.8	P105 A107 A112 L113 Y129 I131 E134	P105-R109 PolarHBondContact O-N 2.68Å; P105-R109 VanDerWaalsContact O-N 3.07Å; A107-R109 PolarHBondContact O-N 2.89Å; R109-A112 PolarHBondContact O-N 3.13Å; R109-L113 HydrophobicContact CG-CD1 4.02Å; R109-L113 WeakPolarHBondContact O-CG 3.22Å; R109-L113 PolarHBondContact O-N 3.13Å; R109-Y129 HydrophobicContact CB-CD1 4.43Å; R109-Y129 HydrophobicContact CB-CD2 4.17Å; R109-Y129 HydrophobicContact CB-CE1 4.39Å; R109-Y129 HydrophobicContact CB-CE2 4.12Å; R109-Y129 HydrophobicContact CB-CG 4.32Å; R109-Y129 HydrophobicContact CG-CD1 4.32Å; R109-Y129 HydrophobicContact CG-CE1 3.87Å; R109-Y129 HydrophobicContact CG-CE2 4.17Å; R109-I131 HydrophobicContact CB-CD1 4.33Å; R109-E134 IonicContact NH1-OE1 2.76Å; R109-E134 IonicContact NH1-OE2 2.62Å; R109-E134 PolarHBondContact NH1-OE2 3.48Å; R109-E134 VanDerWaalsContact NH1-OE2 3.14Å
110	S	86.5	Confident	91.6	Very high	14 Å²	14	21.3 Å²	21.3	10%	0.098	10%	0.104	C	C	.	.	H	α-helix	trans	-65.8	-40.3	-177.1	-175	0	0	0	0	112.6	L106 A107 R114 Y312	L106-S110 WeakPolarHBondContact O-CB 3.32Å; L106-S110 PolarHBondContact O-N 2.73Å; A107-S110 PolarHBondContact O-N 3.19Å; S110-R114 WeakPolarHBondContact O-CB 3.42Å; S110-R114 PolarHBondContact O-N 3.23Å; S110-R114 VanDerWaalsContact O-N 3.08Å; S110-Y312 WeakPolarHBondContact OG-CE2 3.21Å; S110-Y312 PolarHBondContact OG-OH 2.87Å
111	L	91.1	Very high	91.6	Very high	5 Å²	5	22 Å²	22	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-69.1	-41.2	176.1	-76.6	169.1	0	0	0	111.7	T78 Q102 A107 L113 R114 V115 F145	T78-L111 HydrophobicContact CG2-CD2 3.93Å; Q102-L111 HydrophobicContact CG-CD1 3.92Å; A107-L111 WeakPolarHBondContact O-CB 3.45Å; A107-L111 WeakPolarHBondContact O-CG 3.36Å; A107-L111 PolarHBondContact O-N 3.08Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-L113 PolarHBondContact O-N 3.03Å; L111-R114 PolarHBondContact O-N 2.56Å; L111-V115 WeakPolarHBondContact O-CB 3.43Å; L111-V115 WeakPolarHBondContact O-CG2 3.49Å; L111-V115 PolarHBondContact O-N 3.39Å; L111-F145 HydrophobicContact CB-CD1 3.88Å; L111-F145 HydrophobicContact CB-CE1 3.79Å; L111-F145 HydrophobicContact CB-CZ 4.37Å; L111-F145 HydrophobicContact CD1-CD1 4.44Å; L111-F145 HydrophobicContact CD1-CE1 4.35Å
112	A	93.8	Very high	91.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-44	176.1	0	0	0	0	0	112	A108 R109 V115 A116 L123 Y129 F145	A108-A112 WeakPolarHBondContact O-CB 3.28Å; A108-A112 PolarHBondContact O-N 3.05Å; R109-A112 PolarHBondContact O-N 3.13Å; A112-V115 PolarHBondContact O-N 2.94Å; A112-A116 VanDerWaalsContact O-CB 3.22Å; A112-A116 WeakPolarHBondContact O-CB 3.44Å; A112-A116 PolarHBondContact O-N 3.29Å; A112-L123 HydrophobicContact CB-CD1 3.84Å; A112-Y129 HydrophobicContact CB-CD1 4.02Å; A112-Y129 HydrophobicContact CB-CG 4.31Å; A112-F145 HydrophobicContact CB-CB 4.13Å; A112-F145 HydrophobicContact CB-CD2 3.66Å; A112-F145 HydrophobicContact CB-CE2 4.43Å; A112-F145 HydrophobicContact CB-CG 4.1Å
113	L	91.6	Very high	91.4	Very high	61 Å²	61	28.2 Å²	28.2	32%	0.319	14%	0.144	S	C	.	.	H	α-helix	trans	-58.5	-48.4	173.8	-78.5	164.2	0	0	0	111.8	R109 L111 D117 L123	R109-L113 HydrophobicContact CG-CD1 4.02Å; R109-L113 WeakPolarHBondContact O-CG 3.22Å; R109-L113 PolarHBondContact O-N 3.13Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-L113 PolarHBondContact O-N 3.03Å; L113-D117 PolarHBondContact O-N 2.98Å; L113-D117 VanDerWaalsContact O-N 3.16Å; L113-L123 HydrophobicContact CD2-CD2 3.48Å; L113-L123 VanDerWaalsContact CD2-CD2 3.48Å; L113-L123 HydrophobicContact CG-CD2 3.95Å
114	R	90.8	Very high	91.4	Very high	67 Å²	67	28.6 Å²	28.6	25%	0.253	15%	0.15	S	C	.	.	H	α-helix	trans	-64.1	-43.6	179.9	175.7	59	-176	-172.8	4	112.1	T78 S110 L111 D117 E118	T78-R114 HydrophobicContact CG2-CG 4.08Å; S110-R114 WeakPolarHBondContact O-CB 3.42Å; S110-R114 PolarHBondContact O-N 3.23Å; S110-R114 VanDerWaalsContact O-N 3.08Å; L111-R114 PolarHBondContact O-N 2.56Å; R114-D117 PolarHBondContact O-N 3.43Å; R114-E118 IonicContact CZ-OE1 2.83Å; R114-E118 VanDerWaalsContact CZ-OE1 3.22Å; R114-E118 IonicContact NE-OE1 3.53Å; R114-E118 PolarHBondContact NE-OE1 3.05Å; R114-E118 IonicContact NH2-OE1 2.84Å; R114-E118 PolarHBondContact NH2-OE1 3.29Å; R114-E118 WeakPolarHBondContact O-CG 3.37Å; R114-E118 PolarHBondContact O-N 3.19Å
115	V	94.9	Very high	91.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-72.8	-35.9	-178.2	171.1	0	0	0	0	111.4	T78 Q82 L111 A112 D117 E118 M119 V127 L143 F145	T78-V115 HydrophobicContact CG2-CG2 4.31Å; Q82-V115 HydrophobicContact CG-CG1 3.68Å; L111-V115 WeakPolarHBondContact O-CB 3.43Å; L111-V115 WeakPolarHBondContact O-CG2 3.49Å; L111-V115 PolarHBondContact O-N 3.39Å; A112-V115 PolarHBondContact O-N 2.94Å; V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 2.86Å; V115-E118 PolarHBondContact O-N 3.33Å; V115-M119 HydrophobicContact CG1-CG 4.12Å; V115-M119 HydrophobicContact CG1-SD 3.71Å; V115-M119 WeakPolarHBondContact O-CB 3.49Å; V115-M119 VanDerWaalsContact O-CG 3.26Å; V115-M119 WeakPolarHBondContact O-CG 3.36Å; V115-M119 PolarHBondContact O-N 2.91Å; V115-V127 HydrophobicContact CG1-CG1 4.42Å; V115-L143 HydrophobicContact CG1-CD2 3.69Å; V115-F145 HydrophobicContact CB-CE2 4.08Å; V115-F145 HydrophobicContact CB-CZ 4.18Å; V115-F145 HydrophobicContact CG1-CE2 4.24Å; V115-F145 HydrophobicContact CG1-CZ 4.41Å; V115-F145 HydrophobicContact CG2-CE2 4.28Å; V115-F145 HydrophobicContact CG2-CZ 3.86Å
116	A	95.3	Very high	91.9	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-44.4	171.1	0	0	0	0	0	111.3	A112 M119 D120 L121 L123 V127	A112-A116 VanDerWaalsContact O-CB 3.22Å; A112-A116 WeakPolarHBondContact O-CB 3.44Å; A112-A116 PolarHBondContact O-N 3.29Å; A116-M119 PolarHBondContact O-N 3.3Å; A116-D120 PolarHBondContact O-N 3.43Å; A116-D120 VanDerWaalsContact O-N 3.09Å; A116-L121 PolarHBondContact O-N 3.42Å; A116-L123 HydrophobicContact CB-CB 4.25Å; A116-L123 HydrophobicContact CB-CD1 4.04Å; A116-V127 HydrophobicContact CB-CB 4.12Å; A116-V127 HydrophobicContact CB-CG1 4.13Å
117	D	93.7	Very high	92.5	Very high	44 Å²	44	28.6 Å²	28.6	24%	0.235	15%	0.147	C	C	.	.	H	α-helix	trans	-64.6	-44.3	175.1	-166.5	26.2	0	0	0	112.2	R34 L38 L113 R114 V115 M119 D120	R34-D117 WeakPolarHBondContact CD-OD1 3.48Å; R34-D117 IonicContact CZ-OD1 2.93Å; R34-D117 IonicContact CZ-OD2 2.72Å; R34-D117 IonicContact NE-OD1 2.8Å; R34-D117 PolarHBondContact NE-OD1 3.48Å; R34-D117 IonicContact NE-OD2 2.73Å; R34-D117 PolarHBondContact NE-OD2 3.27Å; R34-D117 IonicContact NH2-OD1 3.98Å; R34-D117 IonicContact NH2-OD2 2.92Å; R34-D117 PolarHBondContact NH2-OD2 2.86Å; L38-D117 HydrophobicContact CD1-CB 4.47Å; L113-D117 PolarHBondContact O-N 2.98Å; L113-D117 VanDerWaalsContact O-N 3.16Å; R114-D117 PolarHBondContact O-N 3.43Å; V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 2.86Å; D117-M119 VanDerWaalsContact C-N 3.29Å; D117-M119 PolarHBondContact O-N 3.28Å; D117-D120 PolarHBondContact O-N 3.36Å
118	E	95.1	Very high	92.9	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-28.6	177.2	-75.7	-174	-171	0	0	114	Y35 L38 R42 Q79 Q82 R114 V115	Y35-E118 WeakPolarHBondContact CD2-O 3.34Å; L38-E118 HydrophobicContact CD1-CG 4.46Å; R42-E118 WeakPolarHBondContact CD-OE2 3.38Å; R42-E118 HydrophobicContact CG-CG 4.5Å; R42-E118 IonicContact NE-OE2 3.14Å; R42-E118 PolarHBondContact NH1-O 3.36Å; Q79-E118 PolarHBondContact NE2-OE2 2.91Å; Q82-E118 PolarHBondContact NE2-OE2 2.92Å; R114-E118 IonicContact CZ-OE1 2.83Å; R114-E118 VanDerWaalsContact CZ-OE1 3.22Å; R114-E118 IonicContact NE-OE1 3.53Å; R114-E118 PolarHBondContact NE-OE1 3.05Å; R114-E118 IonicContact NH2-OE1 2.84Å; R114-E118 PolarHBondContact NH2-OE1 3.29Å; R114-E118 WeakPolarHBondContact O-CG 3.37Å; R114-E118 PolarHBondContact O-N 3.19Å; V115-E118 PolarHBondContact O-N 3.33Å
119	M	95.4	Very high	93	Very high	9 Å²	9	29.5 Å²	29.5	4%	0.044	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.7	176.9	-65.8	-178.2	76.6	0	0	113.1	N24 F26 Q82 A85 V115 A116 D117 L121 V127 L143	N24-M119 PolarHBondContact ND2-O 3.05Å; F26-M119 HydrophobicContact CD1-CE 4.45Å; F26-M119 HydrophobicContact CD2-CE 3.8Å; F26-M119 HydrophobicContact CE1-CE 4.03Å; F26-M119 HydrophobicContact CE2-CE 3.31Å; F26-M119 HydrophobicContact CG-CE 4.37Å; F26-M119 HydrophobicContact CZ-CE 3.44Å; F26-M119 VanDerWaalsContact CZ-CE 3.44Å; Q82-M119 HydrophobicContact CB-SD 4.49Å; Q82-M119 HydrophobicContact CG-CG 3.8Å; Q82-M119 HydrophobicContact CG-SD 3.76Å; Q82-M119 VanDerWaalsContact OE1-CG 3.3Å; A85-M119 HydrophobicContact CB-CE 4.45Å; V115-M119 HydrophobicContact CG1-CG 4.12Å; V115-M119 HydrophobicContact CG1-SD 3.71Å; V115-M119 WeakPolarHBondContact O-CB 3.49Å; V115-M119 VanDerWaalsContact O-CG 3.26Å; V115-M119 WeakPolarHBondContact O-CG 3.36Å; V115-M119 PolarHBondContact O-N 2.91Å; A116-M119 PolarHBondContact O-N 3.3Å; D117-M119 VanDerWaalsContact C-N 3.29Å; D117-M119 PolarHBondContact O-N 3.28Å; M119-L121 VanDerWaalsContact C-N 3.3Å; M119-L121 HydrophobicContact CB-CB 4.43Å; M119-L121 HydrophobicContact CB-CD1 3.67Å; M119-L121 HydrophobicContact CB-CG 4Å; M119-L121 HydrophobicContact CE-CD1 3.85Å; M119-L121 PolarHBondContact O-N 2.99Å; M119-L121 HydrophobicContact SD-CD1 4.25Å; M119-V127 HydrophobicContact SD-CG2 3.69Å; M119-L143 HydrophobicContact SD-CD2 4.1Å
120	D	96.5	Very high	93.2	Very high	40 Å²	40	26.9 Å²	26.9	21%	0.214	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	41.3	-174.5	-152.1	39.1	0	0	0	113	F31 S32 Y35 A116 D117	F31-D120 WeakPolarHBondContact CA-OD2 3.49Å; F31-D120 HydrophobicContact CD1-CB 4.14Å; S32-D120 WeakPolarHBondContact CB-OD1 3.34Å; S32-D120 WeakPolarHBondContact CB-OD2 3.21Å; S32-D120 PolarHBondContact N-OD2 3.08Å; S32-D120 VanDerWaalsContact OG-CG 3.24Å; S32-D120 PolarHBondContact OG-OD1 3.36Å; S32-D120 PolarHBondContact OG-OD2 2.95Å; Y35-D120 HydrophobicContact CD2-CB 3.91Å; Y35-D120 HydrophobicContact CG-CB 4.2Å; A116-D120 PolarHBondContact O-N 3.43Å; A116-D120 VanDerWaalsContact O-N 3.09Å; D117-D120 PolarHBondContact O-N 3.36Å
121	L	95	Very high	93.3	Very high	15 Å²	15	27 Å²	27	8%	0.079	14%	0.141	C	C	.	.			trans	-119.2	154.2	-176.2	-67.3	168.8	0	0	0	111.4	N24 F26 D27 A116 M119 E126 V127	N24-L121 WeakPolarHBondContact ND2-CD2 3.26Å; F26-L121 HydrophobicContact CB-CD1 3.94Å; F26-L121 HydrophobicContact CB-CD2 3.92Å; F26-L121 HydrophobicContact CD2-CD1 4.12Å; F26-L121 HydrophobicContact CG-CD1 4.05Å; D27-L121 HydrophobicContact CB-CD2 4.04Å; A116-L121 PolarHBondContact O-N 3.42Å; M119-L121 VanDerWaalsContact C-N 3.3Å; M119-L121 HydrophobicContact CB-CB 4.43Å; M119-L121 HydrophobicContact CB-CD1 3.67Å; M119-L121 HydrophobicContact CB-CG 4Å; M119-L121 HydrophobicContact CE-CD1 3.85Å; M119-L121 PolarHBondContact O-N 2.99Å; M119-L121 HydrophobicContact SD-CD1 4.25Å; L121-E126 HydrophobicContact CD1-CB 3.94Å; L121-E126 HydrophobicContact CD2-CB 4.4Å; L121-E126 HydrophobicContact CD2-CG 4.34Å; L121-V127 HydrophobicContact CB-CG2 4.42Å; L121-V127 HydrophobicContact CD1-CG2 3.9Å
122	T	92.8	Very high	92.9	Very high	89 Å²	89	28.1 Å²	28.1	55%	0.546	15%	0.149	S	C	.	.			trans	-82.3	123.4	176.5	-56.1	0	0	0	0	109.8	G124 H125	T122-G124 PolarHBondContact O-N 3.28Å; T122-H125 WeakPolarHBondContact O-CB 3.48Å; T122-H125 PolarHBondContact O-N 3.31Å; T122-H125 VanDerWaalsContact O-N 3.15Å
123	L	93.4	Very high	92.3	Very high	43 Å²	43	29.4 Å²	29.4	23%	0.225	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-57	135.8	174.9	-169.9	76.9	0	0	0	111.1	A112 L113 A116 H125 V127 Y129	A112-L123 HydrophobicContact CB-CD1 3.84Å; L113-L123 HydrophobicContact CD2-CD2 3.48Å; L113-L123 VanDerWaalsContact CD2-CD2 3.48Å; L113-L123 HydrophobicContact CG-CD2 3.95Å; A116-L123 HydrophobicContact CB-CB 4.25Å; A116-L123 HydrophobicContact CB-CD1 4.04Å; L123-H125 VanDerWaalsContact C-N 3.34Å; L123-V127 CarbonylContact C-O 3.6Å; L123-V127 WeakPolarHBondContact CA-O 3.47Å; L123-Y129 HydrophobicContact CD1-CD1 4.31Å; L123-Y129 HydrophobicContact CD2-CD1 4.09Å; L123-Y129 HydrophobicContact CD2-CE1 3.75Å; L123-Y129 HydrophobicContact CG-CD1 4.5Å
124	G	90.8	Very high	92	Very high	16 Å²	16	28.9 Å²	28.9	17%	0.165	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-10.2	-177.1	0	0	0	0	0	114.1	T122 V127 C136 G138	T122-G124 PolarHBondContact O-N 3.28Å; G124-V127 PolarHBondContact N-O 2.84Å; G124-C136 WeakPolarHBondContact CA-O 3.48Å; G124-G138 PolarHBondContact O-N 3.15Å
125	H	91.6	Very high	91.9	Very high	97 Å²	97	30.7 Å²	30.7	45%	0.449	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-104.7	171	-66.6	-98.9	0	0	0	109.5	T122 L123 N140 T141	T122-H125 WeakPolarHBondContact O-CB 3.48Å; T122-H125 PolarHBondContact O-N 3.31Å; T122-H125 VanDerWaalsContact O-N 3.15Å; L123-H125 VanDerWaalsContact C-N 3.34Å; H125-N140 CarbonylContact O-C 3.51Å; H125-T141 WeakPolarHBondContact O-CA 3.48Å; H125-T141 WeakPolarHBondContact O-CB 3.47Å; H125-T141 PolarHBondContact O-N 3.44Å; H125-T141 PolarHBondContact O-OG1 3.35Å
126	E	92.3	Very high	91.8	Very high	31 Å²	31	32.3 Å²	32.3	15%	0.145	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-33.3	-175.9	-64.8	70.5	-148.4	0	0	112.6	F26 L121 L142 L143	F26-E126 HydrophobicContact CB-CG 4.19Å; L121-E126 HydrophobicContact CD1-CB 3.94Å; L121-E126 HydrophobicContact CD2-CB 4.4Å; L121-E126 HydrophobicContact CD2-CG 4.34Å; E126-L142 PolarHBondContact O-N 3.26Å; E126-L143 PolarHBondContact O-N 3.45Å
127	V	95.1	Very high	91.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.8	172.9	-177.6	0	0	0	0	108.8	V115 A116 M119 L121 L123 G124 L143 F145	V115-V127 HydrophobicContact CG1-CG1 4.42Å; A116-V127 HydrophobicContact CB-CB 4.12Å; A116-V127 HydrophobicContact CB-CG1 4.13Å; M119-V127 HydrophobicContact SD-CG2 3.69Å; L121-V127 HydrophobicContact CB-CG2 4.42Å; L121-V127 HydrophobicContact CD1-CG2 3.9Å; L123-V127 CarbonylContact C-O 3.6Å; L123-V127 WeakPolarHBondContact CA-O 3.47Å; G124-V127 PolarHBondContact N-O 2.84Å; V127-L143 CarbonylContact C-O 3.51Å; V127-L143 WeakPolarHBondContact CA-O 3.41Å; V127-L143 HydrophobicContact CG1-CD2 4.39Å; V127-L143 HydrophobicContact CG1-CG 4.44Å; V127-L143 HydrophobicContact CG2-CB 4.36Å; V127-L143 HydrophobicContact CG2-CD2 4.34Å; V127-F145 HydrophobicContact CG1-CE2 4.42Å
128	G	94.9	Very high	91.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	176.4	-178.6	0	0	0	0	0	113.3	C136 L143 R144 F145	G128-C136 CarbonylContact C-O 3.55Å; G128-C136 WeakPolarHBondContact CA-O 3.37Å; G128-L143 PolarHBondContact N-O 3.35Å; G128-R144 WeakPolarHBondContact O-CA 3.37Å; G128-F145 PolarHBondContact O-N 3.36Å
129	Y	94	Very high	90.8	Very high	19 Å²	19	39.9 Å²	39.9	8%	0.075	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.7	171.9	70.1	-91.7	0	0	0	112.6	R109 A112 L123 I131 E134 C136 F145	R109-Y129 HydrophobicContact CB-CD1 4.43Å; R109-Y129 HydrophobicContact CB-CD2 4.17Å; R109-Y129 HydrophobicContact CB-CE1 4.39Å; R109-Y129 HydrophobicContact CB-CE2 4.12Å; R109-Y129 HydrophobicContact CB-CG 4.32Å; R109-Y129 HydrophobicContact CG-CD1 4.32Å; R109-Y129 HydrophobicContact CG-CE1 3.87Å; R109-Y129 HydrophobicContact CG-CE2 4.17Å; A112-Y129 HydrophobicContact CB-CD1 4.02Å; A112-Y129 HydrophobicContact CB-CG 4.31Å; L123-Y129 HydrophobicContact CD1-CD1 4.31Å; L123-Y129 HydrophobicContact CD2-CD1 4.09Å; L123-Y129 HydrophobicContact CD2-CE1 3.75Å; L123-Y129 HydrophobicContact CG-CD1 4.5Å; Y129-I131 HydrophobicContact CD2-CD1 4.12Å; Y129-I131 HydrophobicContact CD2-CG1 3.9Å; Y129-I131 HydrophobicContact CD2-CG2 4.13Å; Y129-I131 HydrophobicContact CE2-CD1 3.76Å; Y129-I131 HydrophobicContact CE2-CG1 3.78Å; Y129-E134 HydrophobicContact CE2-CB 4.04Å; Y129-E134 PolarHBondContact OH-OE2 3.17Å; Y129-C136 HydrophobicContact CD1-CB 3.75Å; Y129-C136 HydrophobicContact CD2-CB 4.44Å; Y129-C136 HydrophobicContact CE1-CB 3.44Å; Y129-C136 VanDerWaalsContact CE1-CB 3.44Å; Y129-C136 HydrophobicContact CE2-CB 4.18Å; Y129-C136 HydrophobicContact CG-CB 4.25Å; Y129-C136 PolarHBondContact N-O 3.07Å; Y129-C136 VanDerWaalsContact N-O 3.08Å; Y129-C136 CarbonylContact O-C 3.35Å; Y129-C136 WeakPolarHBondContact O-CA 3.33Å; Y129-C136 PolarHBondContact O-N 3.31Å; Y129-F145 CarbonylContact C-O 3.6Å; Y129-F145 WeakPolarHBondContact CA-O 3.49Å; Y129-F145 WeakPolarHBondContact CB-O 3.49Å
130	S	92.3	Very high	90.4	Very high	8 Å²	8	44.5 Å²	44.5	6%	0.056	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	111.8	177.1	-166.1	0	0	0	0	110	D135 F145 C146 W147 L150	S130-D135 PolarHBondContact OG-OD1 2.85Å; S130-F145 PolarHBondContact N-O 3.33Å; S130-C146 WeakPolarHBondContact O-CA 3.29Å; S130-C146 WeakPolarHBondContact O-CB 3.35Å; S130-W147 PolarHBondContact O-N 3.49Å; S130-L150 VanDerWaalsContact OG-CD2 3.23Å; S130-L150 WeakPolarHBondContact OG-CD2 3.14Å
131	I	89.1	Confident	90	Very high	16 Å²	16	42.8 Å²	42.8	8%	0.082	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	168.1	-179.4	64.4	175.2	0	0	0	109.1	P105 A108 R109 Y129 Q133 E134 W147	P105-I131 HydrophobicContact CB-CB 3.99Å; P105-I131 HydrophobicContact CB-CD1 4.16Å; P105-I131 HydrophobicContact CB-CG2 4.04Å; A108-I131 HydrophobicContact CB-CG2 3.81Å; R109-I131 HydrophobicContact CB-CD1 4.33Å; Y129-I131 HydrophobicContact CD2-CD1 4.12Å; Y129-I131 HydrophobicContact CD2-CG1 3.9Å; Y129-I131 HydrophobicContact CD2-CG2 4.13Å; Y129-I131 HydrophobicContact CE2-CD1 3.76Å; Y129-I131 HydrophobicContact CE2-CG1 3.78Å; I131-Q133 PolarHBondContact O-N 3.47Å; I131-E134 HydrophobicContact CD1-CB 4.16Å; I131-E134 HydrophobicContact CG1-CB 3.79Å; I131-E134 WeakPolarHBondContact CG1-O 3.5Å; I131-E134 PolarHBondContact N-O 3.19Å; I131-E134 CarbonylContact O-C 3.25Å; I131-E134 PolarHBondContact O-N 2.84Å; I131-E134 VanDerWaalsContact O-N 3.16Å; I131-W147 HydrophobicContact CG2-CB 4.49Å
132	P	83.3	Confident	89.8	Confident	29 Å²	29	43.6 Å²	43.6	19%	0.188	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	130.9	176.9	-28.1	37.4	0	0	0	111.9	E134 W147	P132-E134 PolarHBondContact O-N 3.29Å; P132-W147 HydrophobicContact CG-CD2 4.24Å; P132-W147 HydrophobicContact CG-CE3 3.27Å; P132-W147 HydrophobicContact CG-CH2 4.39Å; P132-W147 HydrophobicContact CG-CZ3 3.37Å
133	Q	81.1	Confident	89.8	Confident	27 Å²	27	39.4 Å²	39.4	13%	0.126	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	3.2	178.9	-53.7	79.2	42.6	0	0	116.8	I131 Q558 K561 L562 E565	I131-Q133 PolarHBondContact O-N 3.47Å; Q133-Q558 HydrophobicContact CB-CG 4.15Å; Q133-Q558 HydrophobicContact CG-CG 4.09Å; Q133-K561 HydrophobicContact CB-CB 4.23Å; Q133-K561 HydrophobicContact CB-CD 4.49Å; Q133-L562 HydrophobicContact CG-CB 3.78Å; Q133-L562 HydrophobicContact CG-CD1 4.4Å; Q133-E565 WeakPolarHBondContact CA-OE1 2.91Å
134	E	85.2	Confident	89.9	Confident	49 Å²	49	38 Å²	38	23%	0.229	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	103.7	177.1	-61.5	-169.3	168	0	0	110.4	R109 Y129 I131 P132 K561	R109-E134 IonicContact NH1-OE1 2.76Å; R109-E134 IonicContact NH1-OE2 2.62Å; R109-E134 PolarHBondContact NH1-OE2 3.48Å; R109-E134 VanDerWaalsContact NH1-OE2 3.14Å; Y129-E134 HydrophobicContact CE2-CB 4.04Å; Y129-E134 PolarHBondContact OH-OE2 3.17Å; I131-E134 HydrophobicContact CD1-CB 4.16Å; I131-E134 HydrophobicContact CG1-CB 3.79Å; I131-E134 WeakPolarHBondContact CG1-O 3.5Å; I131-E134 PolarHBondContact N-O 3.19Å; I131-E134 CarbonylContact O-C 3.25Å; I131-E134 PolarHBondContact O-N 2.84Å; I131-E134 VanDerWaalsContact O-N 3.16Å; P132-E134 PolarHBondContact O-N 3.29Å; E134-K561 IonicContact OE1-NZ 3.54Å; E134-K561 PolarHBondContact OE1-NZ 3.15Å; E134-K561 VanDerWaalsContact OE1-NZ 3.14Å
135	D	88.9	Confident	90.1	Very high	105 Å²	105	37.2 Å²	37.2	56%	0.561	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	107	169.8	-165	1.3	0	0	0	109.5	S130 T137	S130-D135 PolarHBondContact OG-OD1 2.85Å; D135-T137 WeakPolarHBondContact OD1-CB 3.44Å; D135-T137 VanDerWaalsContact OD1-CG2 3.3Å; D135-T137 WeakPolarHBondContact OD1-CG2 3.46Å; D135-T137 PolarHBondContact OD1-N 3.21Å; D135-T137 PolarHBondContact OD1-OG1 3.46Å; D135-T137 PolarHBondContact OD2-OG1 3.24Å
136	C	92.2	Very high	90.2	Very high	35 Å²	35	32.6 Å²	32.6	24%	0.236	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	61.1	175.4	-167.7	0	0	0	0	108.4	G124 G128 Y129	G124-C136 WeakPolarHBondContact CA-O 3.48Å; G128-C136 CarbonylContact C-O 3.55Å; G128-C136 WeakPolarHBondContact CA-O 3.37Å; Y129-C136 HydrophobicContact CD1-CB 3.75Å; Y129-C136 HydrophobicContact CD2-CB 4.44Å; Y129-C136 HydrophobicContact CE1-CB 3.44Å; Y129-C136 VanDerWaalsContact CE1-CB 3.44Å; Y129-C136 HydrophobicContact CE2-CB 4.18Å; Y129-C136 HydrophobicContact CG-CB 4.25Å; Y129-C136 PolarHBondContact N-O 3.07Å; Y129-C136 VanDerWaalsContact N-O 3.08Å; Y129-C136 CarbonylContact O-C 3.35Å; Y129-C136 WeakPolarHBondContact O-CA 3.33Å; Y129-C136 PolarHBondContact O-N 3.31Å
137	T	90.6	Very high	90.2	Very high	47 Å²	47	33.8 Å²	33.8	29%	0.288	19%	0.191	S	C	.	.			trans	-130.6	157.1	173.9	65.8	0	0	0	0	110.3	D135 T141 R144	D135-T137 WeakPolarHBondContact OD1-CB 3.44Å; D135-T137 VanDerWaalsContact OD1-CG2 3.3Å; D135-T137 WeakPolarHBondContact OD1-CG2 3.46Å; D135-T137 PolarHBondContact OD1-N 3.21Å; D135-T137 PolarHBondContact OD1-OG1 3.46Å; D135-T137 PolarHBondContact OD2-OG1 3.24Å; T137-T141 HydrophobicContact CG2-CG2 4.14Å; T137-R144 HydrophobicContact CG2-CG 3.89Å
138	G	87.6	Confident	90.2	Very high	25 Å²	25	33.8 Å²	33.8	26%	0.258	19%	0.191	S	C	.	.			trans	-136.4	177.7	178.9	0	0	0	0	0	111.5	G124 N140 T141	G124-G138 PolarHBondContact O-N 3.15Å; G138-N140 PolarHBondContact O-N 2.95Å; G138-N140 VanDerWaalsContact O-N 3.08Å; G138-T141 PolarHBondContact N-OG1 3.42Å; G138-T141 WeakPolarHBondContact O-CB 3.39Å; G138-T141 PolarHBondContact O-N 3.5Å; G138-T141 PolarHBondContact O-OG1 2.95Å
139	P	85.6	Confident	90	Very high	136 Å²	136	37.8 Å²	37.8	88%	0.883	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.6	180	25.7	-34.9	0	0	0	113.6
140	N	85.4	Confident	89.8	Confident	107 Å²	107	38.6 Å²	38.6	57%	0.572	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	0.9	179.7	-62.1	-11	0	0	0	113.2	H125 G138 L142	H125-N140 CarbonylContact O-C 3.51Å; G138-N140 PolarHBondContact O-N 2.95Å; G138-N140 VanDerWaalsContact O-N 3.08Å; N140-L142 PolarHBondContact O-N 3.01Å; N140-L142 VanDerWaalsContact O-N 3.11Å
141	T	89.6	Confident	89.7	Confident	4 Å²	4	38.2 Å²	38.2	3%	0.025	21%	0.209	C	C	.	.			trans	-65.1	117	-179.1	-58	0	0	0	0	110.4	Q97 H125 T137 G138 L143 R144	Q97-T141 WeakPolarHBondContact CG-O 3.25Å; Q97-T141 PolarHBondContact NE2-O 3.14Å; H125-T141 WeakPolarHBondContact O-CA 3.48Å; H125-T141 WeakPolarHBondContact O-CB 3.47Å; H125-T141 PolarHBondContact O-N 3.44Å; H125-T141 PolarHBondContact O-OG1 3.35Å; T137-T141 HydrophobicContact CG2-CG2 4.14Å; G138-T141 PolarHBondContact N-OG1 3.42Å; G138-T141 WeakPolarHBondContact O-CB 3.39Å; G138-T141 PolarHBondContact O-N 3.5Å; G138-T141 PolarHBondContact O-OG1 2.95Å; T141-L143 WeakPolarHBondContact CG2-O 3.42Å; T141-R144 HydrophobicContact CG2-CB 4.25Å
142	L	89.9	Confident	89.7	Confident	31 Å²	31	37.9 Å²	37.9	16%	0.162	21%	0.208	C	C	.	.			trans	-97.2	-41.2	176.9	-176.5	72.1	0	0	0	110.5	F26 A85 V88 G96 Q97 V98 E126 N140	F26-L142 HydrophobicContact CD1-CD2 3.79Å; F26-L142 HydrophobicContact CE1-CD2 3.56Å; A85-L142 HydrophobicContact CB-CD2 4.29Å; V88-L142 HydrophobicContact CG1-CD1 3.9Å; G96-L142 WeakPolarHBondContact O-CD1 3.43Å; Q97-L142 CarbonylContact C-O 3.49Å; Q97-L142 WeakPolarHBondContact CA-O 3.39Å; V98-L142 PolarHBondContact N-O 3.12Å; E126-L142 PolarHBondContact O-N 3.26Å; N140-L142 PolarHBondContact O-N 3.01Å; N140-L142 VanDerWaalsContact O-N 3.11Å
143	L	94	Very high	89.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.3	179.5	173.3	57.2	0	0	0	110.1	P81 A85 V98 V100 V115 M119 E126 V127 G128 T141 F145	P81-L143 HydrophobicContact CB-CD1 3.83Å; P81-L143 HydrophobicContact CB-CD2 3.98Å; A85-L143 HydrophobicContact CB-CB 4.43Å; V98-L143 HydrophobicContact CB-CD1 3.8Å; V98-L143 HydrophobicContact CG1-CD1 3.59Å; V100-L143 HydrophobicContact CG2-CD1 3.73Å; V115-L143 HydrophobicContact CG1-CD2 3.69Å; M119-L143 HydrophobicContact SD-CD2 4.1Å; E126-L143 PolarHBondContact O-N 3.45Å; V127-L143 CarbonylContact C-O 3.51Å; V127-L143 WeakPolarHBondContact CA-O 3.41Å; V127-L143 HydrophobicContact CG1-CD2 4.39Å; V127-L143 HydrophobicContact CG1-CG 4.44Å; V127-L143 HydrophobicContact CG2-CB 4.36Å; V127-L143 HydrophobicContact CG2-CD2 4.34Å; G128-L143 PolarHBondContact N-O 3.35Å; T141-L143 WeakPolarHBondContact CG2-O 3.42Å; L143-F145 HydrophobicContact CD1-CE2 4.17Å; L143-F145 HydrophobicContact CD2-CE2 3.91Å; L143-F145 HydrophobicContact CD2-CZ 4.4Å; L143-F145 HydrophobicContact CG-CD2 4.46Å; L143-F145 HydrophobicContact CG-CE2 3.9Å
144	R	94.1	Very high	90	Very high	14 Å²	14	40.8 Å²	40.8	5%	0.053	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.2	-179.6	-176.2	-178.9	73	125.6	-6.9	110.8	V98 T99 V100 G128 T137 T141 E154	V98-R144 PolarHBondContact O-N 3.08Å; T99-R144 CarbonylContact C-O 3.54Å; T99-R144 WeakPolarHBondContact CA-O 3.5Å; V100-R144 PolarHBondContact N-O 3.27Å; G128-R144 WeakPolarHBondContact O-CA 3.37Å; T137-R144 HydrophobicContact CG2-CG 3.89Å; T141-R144 HydrophobicContact CG2-CB 4.25Å; R144-E154 IonicContact CZ-OE1 2.74Å; R144-E154 IonicContact CZ-OE2 2.79Å; R144-E154 IonicContact NH1-OE1 3.65Å; R144-E154 PolarHBondContact NH1-OE1 2.96Å; R144-E154 IonicContact NH1-OE2 2.76Å; R144-E154 PolarHBondContact NH1-OE2 3.46Å; R144-E154 IonicContact NH2-OE1 3.42Å; R144-E154 IonicContact NH2-OE2 3.25Å; R144-E154 PolarHBondContact NH2-OE2 2.79Å
145	F	95.2	Very high	89.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.9	164.2	-68.1	-96.5	0	0	0	109.5	P81 V100 A108 L111 A112 V115 V127 G128 Y129 S130 L143	P81-F145 HydrophobicContact CB-CE1 4.4Å; P81-F145 HydrophobicContact CB-CZ 3.82Å; P81-F145 HydrophobicContact CG-CE1 4Å; P81-F145 HydrophobicContact CG-CZ 3.86Å; V100-F145 HydrophobicContact CB-CD1 3.7Å; V100-F145 HydrophobicContact CB-CE1 3.88Å; V100-F145 HydrophobicContact CB-CG 4.28Å; V100-F145 HydrophobicContact CG1-CD1 3.77Å; V100-F145 HydrophobicContact CG1-CE1 3.75Å; V100-F145 HydrophobicContact CG2-CD1 4.25Å; V100-F145 HydrophobicContact CG2-CE1 4.03Å; V100-F145 HydrophobicContact CG2-CZ 4.31Å; V100-F145 CarbonylContact O-C 3.56Å; V100-F145 WeakPolarHBondContact O-CA 3.3Å; A108-F145 HydrophobicContact CB-CB 4.23Å; L111-F145 HydrophobicContact CB-CD1 3.88Å; L111-F145 HydrophobicContact CB-CE1 3.79Å; L111-F145 HydrophobicContact CB-CZ 4.37Å; L111-F145 HydrophobicContact CD1-CD1 4.44Å; L111-F145 HydrophobicContact CD1-CE1 4.35Å; A112-F145 HydrophobicContact CB-CB 4.13Å; A112-F145 HydrophobicContact CB-CD2 3.66Å; A112-F145 HydrophobicContact CB-CE2 4.43Å; A112-F145 HydrophobicContact CB-CG 4.1Å; V115-F145 HydrophobicContact CB-CE2 4.08Å; V115-F145 HydrophobicContact CB-CZ 4.18Å; V115-F145 HydrophobicContact CG1-CE2 4.24Å; V115-F145 HydrophobicContact CG1-CZ 4.41Å; V115-F145 HydrophobicContact CG2-CE2 4.28Å; V115-F145 HydrophobicContact CG2-CZ 3.86Å; V127-F145 HydrophobicContact CG1-CE2 4.42Å; G128-F145 PolarHBondContact O-N 3.36Å; Y129-F145 CarbonylContact C-O 3.6Å; Y129-F145 WeakPolarHBondContact CA-O 3.49Å; Y129-F145 WeakPolarHBondContact CB-O 3.49Å; S130-F145 PolarHBondContact N-O 3.33Å; L143-F145 HydrophobicContact CD1-CE2 4.17Å; L143-F145 HydrophobicContact CD2-CE2 3.91Å; L143-F145 HydrophobicContact CD2-CZ 4.4Å; L143-F145 HydrophobicContact CG-CD2 4.46Å; L143-F145 HydrophobicContact CG-CE2 3.9Å
146	C	93.8	Very high	89.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.1	179.7	67.5	0	0	0	0	112.4	T99 V100 T101 Q102 S130	T99-C146 VanDerWaalsContact CG2-SG 3.5Å; V100-C146 PolarHBondContact O-N 3.27Å; T101-C146 CarbonylContact C-O 3.59Å; T101-C146 WeakPolarHBondContact CA-O 3.36Å; Q102-C146 PolarHBondContact N-O 2.97Å; S130-C146 WeakPolarHBondContact O-CA 3.29Å; S130-C146 WeakPolarHBondContact O-CB 3.35Å
147	W	93.4	Very high	88.5	Confident	55 Å²	55	33.7 Å²	33.7	21%	0.208	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.1	167.6	-173.6	35.7	0	0	0	110	P103 P105 S130 I131 P132 R149 L150 L151	P103-W147 PolarHBondContact O-NE1 3.39Å; P105-W147 HydrophobicContact CG-CD2 4.1Å; P105-W147 HydrophobicContact CG-CG 4.07Å; S130-W147 PolarHBondContact O-N 3.49Å; I131-W147 HydrophobicContact CG2-CB 4.49Å; P132-W147 HydrophobicContact CG-CD2 4.24Å; P132-W147 HydrophobicContact CG-CE3 3.27Å; P132-W147 HydrophobicContact CG-CH2 4.39Å; P132-W147 HydrophobicContact CG-CZ3 3.37Å; W147-R149 VanDerWaalsContact C-N 3.3Å; W147-R149 HydrophobicContact CD2-CB 3.82Å; W147-R149 HydrophobicContact CD2-CG 4.15Å; W147-R149 HydrophobicContact CE3-CB 3.75Å; W147-R149 HydrophobicContact CE3-CG 4.44Å; W147-R149 HydrophobicContact CH2-CB 3.83Å; W147-R149 VanDerWaalsContact CH2-CD 3.48Å; W147-R149 HydrophobicContact CH2-CG 3.87Å; W147-R149 HydrophobicContact CZ2-CB 3.84Å; W147-R149 HydrophobicContact CZ2-CG 3.47Å; W147-R149 VanDerWaalsContact CZ2-CG 3.47Å; W147-R149 HydrophobicContact CZ3-CB 3.76Å; W147-R149 HydrophobicContact CZ3-CG 4.31Å; W147-R149 PolarHBondContact O-N 2.92Å; W147-L150 HydrophobicContact CB-CB 4.31Å; W147-L150 WeakPolarHBondContact O-CB 3.43Å; W147-L150 PolarHBondContact O-N 3.41Å; W147-L150 VanDerWaalsContact O-N 3.15Å; W147-L151 PolarHBondContact O-N 3.38Å; W147-L151 VanDerWaalsContact O-N 3.11Å
148	D	93.4	Very high	86.9	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-37.6	-178.3	61.3	-3.5	0	0	0	113.5	Q102 P103 L151 L152 S176 A178	Q102-D148 PolarHBondContact O-N 2.88Å; P103-D148 WeakPolarHBondContact CA-OD2 3.4Å; D148-L151 PolarHBondContact O-N 3.23Å; D148-L152 PolarHBondContact O-N 3.02Å; D148-S176 WeakPolarHBondContact OD2-CB 3.31Å; D148-S176 PolarHBondContact OD2-OG 3.04Å; D148-A178 HydrophobicContact CB-CB 4.07Å
149	R	91.7	Very high	85.3	Confident	84 Å²	84	42 Å²	42	32%	0.317	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-36.7	176.6	-57.9	-156.6	-173.8	-134.4	-5.6	112.9	W147 L151 L152 Q153 A178 E408	W147-R149 VanDerWaalsContact C-N 3.3Å; W147-R149 HydrophobicContact CD2-CB 3.82Å; W147-R149 HydrophobicContact CD2-CG 4.15Å; W147-R149 HydrophobicContact CE3-CB 3.75Å; W147-R149 HydrophobicContact CE3-CG 4.44Å; W147-R149 HydrophobicContact CH2-CB 3.83Å; W147-R149 VanDerWaalsContact CH2-CD 3.48Å; W147-R149 HydrophobicContact CH2-CG 3.87Å; W147-R149 HydrophobicContact CZ2-CB 3.84Å; W147-R149 HydrophobicContact CZ2-CG 3.47Å; W147-R149 VanDerWaalsContact CZ2-CG 3.47Å; W147-R149 HydrophobicContact CZ3-CB 3.76Å; W147-R149 HydrophobicContact CZ3-CG 4.31Å; W147-R149 PolarHBondContact O-N 2.92Å; R149-L151 VanDerWaalsContact C-N 3.34Å; R149-L152 PolarHBondContact O-N 3.18Å; R149-Q153 WeakPolarHBondContact O-CG 3.4Å; R149-Q153 PolarHBondContact O-N 2.87Å; R149-A178 HydrophobicContact CB-CB 4.32Å; R149-A178 HydrophobicContact CG-CB 3.79Å; R149-E408 IonicContact CZ-OE2 3.15Å; R149-E408 IonicContact NH1-OE2 3.29Å; R149-E408 IonicContact NH2-OE1 3.56Å; R149-E408 IonicContact NH2-OE2 2.84Å; R149-E408 PolarHBondContact NH2-OE2 3.24Å
150	L	89.3	Confident	83.6	Confident	37 Å²	37	37.4 Å²	37.4	19%	0.194	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-45.1	175.3	-173.9	73.4	0	0	0	109.7	S130 W147 L152 Q153 E154	S130-L150 VanDerWaalsContact OG-CD2 3.23Å; S130-L150 WeakPolarHBondContact OG-CD2 3.14Å; W147-L150 HydrophobicContact CB-CB 4.31Å; W147-L150 WeakPolarHBondContact O-CB 3.43Å; W147-L150 PolarHBondContact O-N 3.41Å; W147-L150 VanDerWaalsContact O-N 3.15Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 3.48Å; L150-Q153 WeakPolarHBondContact O-CB 3.4Å; L150-Q153 PolarHBondContact O-N 3.31Å; L150-E154 WeakPolarHBondContact O-CG 3.28Å; L150-E154 PolarHBondContact O-N 3.06Å
151	L	89.6	Confident	82.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-40.6	174.8	-175.4	65.7	0	0	0	111.6	T99 T101 W147 D148 R149 Q153 E154 V155 W164 L167 L182	T99-L151 HydrophobicContact CG2-CD1 4.22Å; T99-L151 HydrophobicContact CG2-CD2 4.16Å; T101-L151 HydrophobicContact CG2-CB 4.15Å; T101-L151 HydrophobicContact CG2-CD2 3.24Å; T101-L151 HydrophobicContact CG2-CG 4.3Å; W147-L151 PolarHBondContact O-N 3.38Å; W147-L151 VanDerWaalsContact O-N 3.11Å; D148-L151 PolarHBondContact O-N 3.23Å; R149-L151 VanDerWaalsContact C-N 3.34Å; L151-Q153 VanDerWaalsContact C-N 3.27Å; L151-Q153 PolarHBondContact O-N 3.13Å; L151-E154 HydrophobicContact CD1-CB 4.48Å; L151-E154 WeakPolarHBondContact CD1-OE2 3.38Å; L151-E154 WeakPolarHBondContact O-CB 3.36Å; L151-E154 PolarHBondContact O-N 3.43Å; L151-V155 HydrophobicContact CD1-CG2 3.88Å; L151-V155 HydrophobicContact CG-CG2 3.81Å; L151-V155 VanDerWaalsContact O-CB 3.23Å; L151-V155 WeakPolarHBondContact O-CB 3.44Å; L151-V155 WeakPolarHBondContact O-CG2 3.46Å; L151-V155 PolarHBondContact O-N 3.38Å; L151-W164 HydrophobicContact CD1-CZ2 3.85Å; L151-L167 HydrophobicContact CD2-CD1 3.47Å; L151-L167 VanDerWaalsContact CD2-CD1 3.47Å; L151-L167 HydrophobicContact CD2-CD2 4.37Å; L151-L182 HydrophobicContact CB-CD1 4.37Å; L151-L182 HydrophobicContact CD2-CD1 4.08Å; L151-L182 HydrophobicContact CD2-CD2 4.5Å; L151-L182 HydrophobicContact CG-CD1 4.35Å; L151-L182 HydrophobicContact CG-CD2 4.39Å
152	L	89.6	Confident	80.4	Confident	9 Å²	9	36 Å²	36	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-39.1	175.8	179.7	63.5	0	0	0	111.7	D148 R149 L150 V155 A156 A178 L182 L185 L413 L416	D148-L152 PolarHBondContact O-N 3.02Å; R149-L152 PolarHBondContact O-N 3.18Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 3.48Å; L152-V155 CarbonylContact O-C 3.58Å; L152-V155 VanDerWaalsContact O-C 3.25Å; L152-V155 PolarHBondContact O-N 3.08Å; L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 3.09Å; L152-A178 HydrophobicContact CB-CB 4.16Å; L152-A178 HydrophobicContact CD2-CB 4.02Å; L152-L182 HydrophobicContact CB-CD2 4.27Å; L152-L182 HydrophobicContact CB-CG 4.2Å; L152-L182 HydrophobicContact CD1-CD2 4.01Å; L152-L182 HydrophobicContact CD1-CG 4.13Å; L152-L185 HydrophobicContact CD1-CD1 3.65Å; L152-L413 HydrophobicContact CD2-CD1 3.94Å; L152-L416 HydrophobicContact CD2-CD1 4.19Å; L152-L416 HydrophobicContact CG-CD1 4.13Å
153	Q	87	Confident	79.1	Confident	58 Å²	58	38.8 Å²	38.8	27%	0.271	21%	0.206	S	C	.	.	H	α-helix	trans	-66.1	-43.4	174.6	-72.7	173.2	-28.3	0	0	112.2	R149 L150 L151 A156 S157 L416	R149-Q153 WeakPolarHBondContact O-CG 3.4Å; R149-Q153 PolarHBondContact O-N 2.87Å; L150-Q153 WeakPolarHBondContact O-CB 3.4Å; L150-Q153 PolarHBondContact O-N 3.31Å; L151-Q153 VanDerWaalsContact C-N 3.27Å; L151-Q153 PolarHBondContact O-N 3.13Å; Q153-A156 CarbonylContact O-C 3.51Å; Q153-A156 WeakPolarHBondContact O-CA 3Å; Q153-A156 WeakPolarHBondContact O-CB 3.2Å; Q153-A156 PolarHBondContact O-N 3.3Å; Q153-S157 PolarHBondContact O-N 2.83Å; Q153-L416 HydrophobicContact CG-CD1 3.81Å; Q153-L416 HydrophobicContact CG-CD2 4.17Å
154	E	84.4	Confident	77.9	Confident	58 Å²	58	39.2 Å²	39.2	27%	0.271	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-48.8	172.5	-67.7	170	-165.9	0	0	110.9	R144 L150 L151 A156 S157 R420	R144-E154 IonicContact CZ-OE1 2.74Å; R144-E154 IonicContact CZ-OE2 2.79Å; R144-E154 IonicContact NH1-OE1 3.65Å; R144-E154 PolarHBondContact NH1-OE1 2.96Å; R144-E154 IonicContact NH1-OE2 2.76Å; R144-E154 PolarHBondContact NH1-OE2 3.46Å; R144-E154 IonicContact NH2-OE1 3.42Å; R144-E154 IonicContact NH2-OE2 3.25Å; R144-E154 PolarHBondContact NH2-OE2 2.79Å; L150-E154 WeakPolarHBondContact O-CG 3.28Å; L150-E154 PolarHBondContact O-N 3.06Å; L151-E154 HydrophobicContact CD1-CB 4.48Å; L151-E154 WeakPolarHBondContact CD1-OE2 3.38Å; L151-E154 WeakPolarHBondContact O-CB 3.36Å; L151-E154 PolarHBondContact O-N 3.43Å; E154-A156 PolarHBondContact O-N 2.87Å; E154-A156 VanDerWaalsContact O-N 3.17Å; E154-S157 PolarHBondContact O-N 3.15Å; E154-R420 PolarHBondContact O-NH2 3.44Å; E154-R420 VanDerWaalsContact O-NH2 3.08Å
155	V	81.8	Confident	77.3	Confident	17 Å²	17	38.6 Å²	38.6	10%	0.103	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-0.3	173.2	-179.5	0	0	0	0	111.2	L151 L152 W164 L182 L185 R420	L151-V155 HydrophobicContact CD1-CG2 3.88Å; L151-V155 HydrophobicContact CG-CG2 3.81Å; L151-V155 VanDerWaalsContact O-CB 3.23Å; L151-V155 WeakPolarHBondContact O-CB 3.44Å; L151-V155 WeakPolarHBondContact O-CG2 3.46Å; L151-V155 PolarHBondContact O-N 3.38Å; L152-V155 CarbonylContact O-C 3.58Å; L152-V155 VanDerWaalsContact O-C 3.25Å; L152-V155 PolarHBondContact O-N 3.08Å; V155-W164 HydrophobicContact CB-CH2 4.39Å; V155-W164 HydrophobicContact CG2-CH2 3.37Å; V155-W164 HydrophobicContact CG2-CZ2 3.73Å; V155-W164 HydrophobicContact CG2-CZ3 4.18Å; V155-L182 HydrophobicContact CB-CD2 3.87Å; V155-L182 HydrophobicContact CG1-CD2 3.92Å; V155-L182 HydrophobicContact CG2-CD2 3.81Å; V155-L185 HydrophobicContact CG1-CD1 4.29Å; V155-R420 VanDerWaalsContact C-NE 3.33Å; V155-R420 PolarHBondContact O-NE 3.04Å; V155-R420 PolarHBondContact O-NH2 2.96Å
156	A	79.5	Confident	77.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.008	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-30.5	169.8	0	0	0	0	0	113.2	L152 Q153 E154 L416 R419 R420	L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 3.09Å; Q153-A156 CarbonylContact O-C 3.51Å; Q153-A156 WeakPolarHBondContact O-CA 3Å; Q153-A156 WeakPolarHBondContact O-CB 3.2Å; Q153-A156 PolarHBondContact O-N 3.3Å; E154-A156 PolarHBondContact O-N 2.87Å; E154-A156 VanDerWaalsContact O-N 3.17Å; A156-L416 HydrophobicContact CB-CB 3.76Å; A156-L416 HydrophobicContact CB-CD2 3.74Å; A156-L416 HydrophobicContact CB-CG 4.21Å; A156-R419 WeakPolarHBondContact O-CG 3.35Å; A156-R420 HydrophobicContact CB-CG 4.2Å; A156-R420 VanDerWaalsContact O-CD 3.25Å; A156-R420 WeakPolarHBondContact O-CD 2.93Å; A156-R420 WeakPolarHBondContact O-CG 3.46Å; A156-R420 PolarHBondContact O-NE 2.59Å
157	S	73.9	Confident	77	Confident	22 Å²	22	38.6 Å²	38.6	15%	0.154	21%	0.206	C	C	.	.	S	Bend	trans	-71.4	138.3	-177.5	-175.7	0	0	0	0	113.4	Q153 E154 R159 R420	Q153-S157 PolarHBondContact O-N 2.83Å; E154-S157 PolarHBondContact O-N 3.15Å; S157-R159 PolarHBondContact O-N 3.27Å; S157-R159 VanDerWaalsContact O-N 3.13Å; S157-R159 PolarHBondContact OG-N 2.71Å; S157-R420 PolarHBondContact O-NH1 3.01Å; S157-R420 PolarHBondContact O-NH2 3.24Å
158	T	56.9	Low	77.1	Confident	80 Å²	80	36 Å²	36	49%	0.491	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-9.5	176.4	52.4	0	0	0	0	113.7	G160	T158-G160 PolarHBondContact O-N 2.86Å
159	R	53.6	Low	77.3	Confident	166 Å²	166	36 Å²	36	63%	0.626	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	6.7	-175.2	-65.2	-176.5	176.1	-175.4	-0.4	115.4	S157	S157-R159 PolarHBondContact O-N 3.27Å; S157-R159 VanDerWaalsContact O-N 3.13Å; S157-R159 PolarHBondContact OG-N 2.71Å
160	G	49.9	Very low	77.5	Confident	41 Å²	41	32 Å²	32	42%	0.423	18%	0.181	S	C	.	.			trans	131.2	131.2	163.3	0	0	0	0	0	112.6	T158 G162	T158-G160 PolarHBondContact O-N 2.86Å; G160-G162 PolarHBondContact O-N 2.94Å
161	T	52.6	Low	77.7	Confident	54 Å²	54	30.7 Å²	30.7	33%	0.331	17%	0.174	S	C	.	.			trans	-57.1	125	155.6	49.5	0	0	0	0	106.6	W164	T161-W164 HydrophobicContact CG2-CH2 4.03Å; T161-W164 HydrophobicContact CG2-CZ3 3.85Å
162	G	55.7	Low	77.9	Confident	28 Å²	28	30.7 Å²	30.7	29%	0.289	17%	0.174	S	C	.	.			trans	-49.7	151.3	170.8	0	0	0	0	0	109.8	G160 W164	G160-G162 PolarHBondContact O-N 2.94Å; G162-W164 VanDerWaalsContact O-CD2 3.3Å; G162-W164 PolarHBondContact O-N 2.85Å
163	V	61	Low	78.1	Confident	88 Å²	88	31.1 Å²	31.1	53%	0.533	18%	0.176	S	C	.	.			trans	-74	78.4	173.9	-171.3	0	0	0	0	107.3	K95 G96 Q97	K95-V163 HydrophobicContact CB-CG1 4Å; K95-V163 WeakPolarHBondContact O-CB 3.46Å; K95-V163 WeakPolarHBondContact O-CG1 3.33Å; G96-V163 WeakPolarHBondContact CA-O 3.5Å; Q97-V163 PolarHBondContact N-O 2.77Å
164	W	70.6	Confident	78.3	Confident	10 Å²	10	29.4 Å²	29.4	4%	0.038	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.1	179.1	-50.2	-54.9	0	0	0	108.6	L151 V155 T161 G162 L198	L151-W164 HydrophobicContact CD1-CZ2 3.85Å; V155-W164 HydrophobicContact CB-CH2 4.39Å; V155-W164 HydrophobicContact CG2-CH2 3.37Å; V155-W164 HydrophobicContact CG2-CZ2 3.73Å; V155-W164 HydrophobicContact CG2-CZ3 4.18Å; T161-W164 HydrophobicContact CG2-CH2 4.03Å; T161-W164 HydrophobicContact CG2-CZ3 3.85Å; G162-W164 VanDerWaalsContact O-CD2 3.3Å; G162-W164 PolarHBondContact O-N 2.85Å; W164-L198 HydrophobicContact CB-CD1 3.7Å; W164-L198 WeakPolarHBondContact O-CD1 3.46Å
165	G	80.4	Confident	78.7	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-45.4	167.3	0	0	0	0	0	110.3	Q97 R199	Q97-G165 PolarHBondContact O-N 3.14Å; G165-R199 PolarHBondContact O-N 3.16Å; G165-R199 VanDerWaalsContact O-N 3.09Å
166	V	90.2	Very high	79.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.4	177.4	-173.2	0	0	0	0	109.4	C84 F87 V88 V98 T99 V168 R199 V201	C84-V166 HydrophobicContact CB-CB 4.35Å; C84-V166 HydrophobicContact CB-CG1 4.1Å; C84-V166 HydrophobicContact CB-CG2 4.5Å; F87-V166 HydrophobicContact CD1-CG2 4.24Å; V88-V166 HydrophobicContact CG2-CG2 3.64Å; V98-V166 WeakPolarHBondContact CA-O 3.49Å; V98-V166 HydrophobicContact CG2-CB 4.34Å; T99-V166 PolarHBondContact N-O 3.01Å; V166-V168 HydrophobicContact CG1-CG2 4.21Å; V166-R199 CarbonylContact C-O 3.48Å; V166-R199 VanDerWaalsContact CA-O 3.3Å; V166-R199 WeakPolarHBondContact CA-O 3.43Å; V166-R199 HydrophobicContact CG1-CB 4.3Å; V166-R199 HydrophobicContact CG2-CB 4.19Å; V166-V201 HydrophobicContact CG1-CG2 4.01Å
167	L	92.6	Very high	80	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.5	170.9	176.4	59.6	0	0	0	109.3	T99 T101 L151 L169 L186 L198 R199 V200 V201	T99-L167 HydrophobicContact CG2-CD1 4.07Å; T99-L167 CarbonylContact O-C 3.54Å; T99-L167 WeakPolarHBondContact O-CA 3.35Å; T101-L167 HydrophobicContact CG2-CD1 4.23Å; L151-L167 HydrophobicContact CD2-CD1 3.47Å; L151-L167 VanDerWaalsContact CD2-CD1 3.47Å; L151-L167 HydrophobicContact CD2-CD2 4.37Å; L167-L169 HydrophobicContact CD1-CD2 4.18Å; L167-L169 HydrophobicContact CD2-CD2 4.1Å; L167-L169 HydrophobicContact CG-CD2 4.01Å; L167-L169 HydrophobicContact CG-CG 4.35Å; L167-L186 HydrophobicContact CD2-CD1 3.66Å; L167-L186 HydrophobicContact CD2-CD2 4.44Å; L167-L198 HydrophobicContact CB-CD1 4.45Å; L167-R199 PolarHBondContact N-O 2.99Å; L167-V200 CarbonylContact O-C 3.57Å; L167-V200 WeakPolarHBondContact O-CA 2.99Å; L167-V201 PolarHBondContact O-N 3.04Å
168	V	96.3	Very high	80.9	Confident	1 Å²	1	26 Å²	26	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.8	176.3	-173.2	0	0	0	0	108.6	I80 V98 T99 V100 T101 V166 D170 V201 V203	I80-V168 HydrophobicContact CG2-CG1 4.33Å; V98-V168 HydrophobicContact CG1-CG2 4.23Å; T99-V168 PolarHBondContact O-N 3.38Å; V100-V168 CarbonylContact C-O 3.58Å; V100-V168 WeakPolarHBondContact CA-O 3.14Å; V100-V168 HydrophobicContact CB-CB 4.29Å; V100-V168 HydrophobicContact CG1-CB 4.1Å; V100-V168 HydrophobicContact CG1-CG1 4.18Å; V100-V168 HydrophobicContact CG2-CB 4.03Å; V100-V168 HydrophobicContact CG2-CG2 4.18Å; T101-V168 PolarHBondContact N-O 2.67Å; T101-V168 PolarHBondContact OG1-O 2.68Å; V166-V168 HydrophobicContact CG1-CG2 4.21Å; V168-D170 HydrophobicContact CG1-CB 4.47Å; V168-D170 PolarHBondContact O-N 2.8Å; V168-V201 CarbonylContact C-O 3.43Å; V168-V201 VanDerWaalsContact CA-O 3.3Å; V168-V201 WeakPolarHBondContact CA-O 3.44Å; V168-V201 HydrophobicContact CG1-CB 4.38Å; V168-V201 HydrophobicContact CG1-CG1 4.48Å; V168-V201 HydrophobicContact CG2-CB 4.25Å; V168-V203 HydrophobicContact CG1-CG2 3.81Å
169	L	96.5	Very high	82.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	90.2	172.2	-58.5	-179.4	0	0	0	108.4	T101 L167 L182 Q183 L186 V200 V201 V202 V203	T101-L169 HydrophobicContact CG2-CD2 3.95Å; T101-L169 WeakPolarHBondContact OG1-CA 3.23Å; L167-L169 HydrophobicContact CD1-CD2 4.18Å; L167-L169 HydrophobicContact CD2-CD2 4.1Å; L167-L169 HydrophobicContact CG-CD2 4.01Å; L167-L169 HydrophobicContact CG-CG 4.35Å; L169-L182 HydrophobicContact CD2-CD1 4.48Å; L169-Q183 HydrophobicContact CD1-CG 3.44Å; L169-Q183 VanDerWaalsContact CD1-CG 3.44Å; L169-L186 HydrophobicContact CD1-CD1 4.04Å; L169-V200 HydrophobicContact CD1-CG1 4.25Å; L169-V200 HydrophobicContact CG-CG1 4.49Å; L169-V201 PolarHBondContact N-O 3.44Å; L169-V202 HydrophobicContact CB-CG2 4.43Å; L169-V202 HydrophobicContact CD1-CG2 4.34Å; L169-V203 PolarHBondContact O-N 3.08Å
170	D	96.3	Very high	84.6	Confident	1 Å²	1	14.3 Å²	14.3	1%	0.005	10%	0.097	C	C	.	.			trans	-87.9	156.3	-176.5	-163.8	21.6	0	0	0	113	S77 V100 T101 Q102 V168 A172 V203	S77-D170 WeakPolarHBondContact CA-OD2 3.47Å; S77-D170 WeakPolarHBondContact CB-OD2 3.28Å; S77-D170 PolarHBondContact OG-OD1 3.18Å; S77-D170 PolarHBondContact OG-OD2 2.89Å; V100-D170 HydrophobicContact CG1-CB 4.11Å; T101-D170 WeakPolarHBondContact O-CB 3.34Å; T101-D170 PolarHBondContact O-N 3.38Å; Q102-D170 PolarHBondContact NE2-OD2 3.48Å; V168-D170 HydrophobicContact CG1-CB 4.47Å; V168-D170 PolarHBondContact O-N 2.8Å; D170-A172 VanDerWaalsContact C-N 3.27Å; D170-A172 PolarHBondContact O-N 3.04Å; D170-V203 VanDerWaalsContact OD1-CB 3.32Å; D170-V203 WeakPolarHBondContact OD1-CB 3.49Å; D170-V203 VanDerWaalsContact OD1-CG1 3.24Å; D170-V203 WeakPolarHBondContact OD1-CG1 3.17Å
171	E	93.2	Very high	86.6	Confident	9 Å²	9	12.4 Å²	12.4	4%	0.042	8%	0.077	C	C	.	.			trans	51.8	41.9	-177.8	-54	-74.8	-137	0	0	113.2	P103 Q173 E174 V203 S330	P103-E171 HydrophobicContact CG-CB 4Å; E171-Q173 PolarHBondContact O-N 3.41Å; E171-Q173 PolarHBondContact OE2-NE2 3.02Å; E171-E174 HydrophobicContact CB-CG 4.09Å; E171-E174 WeakPolarHBondContact O-CB 3.03Å; E171-E174 WeakPolarHBondContact O-CG 3.15Å; E171-E174 PolarHBondContact O-N 2.84Å; E171-V203 PolarHBondContact N-O 3.41Å; E171-S330 VanDerWaalsContact CD-OG 3.3Å; E171-S330 VanDerWaalsContact OE1-CB 3.3Å; E171-S330 WeakPolarHBondContact OE1-CB 3.17Å; E171-S330 PolarHBondContact OE1-N 3.41Å; E171-S330 PolarHBondContact OE1-OG 3.14Å
172	A	94.9	Very high	88.4	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-59.6	-19.5	-177.3	0	0	0	0	0	113.3	D170 E174 R175 V202 V203 L208 L212	D170-A172 VanDerWaalsContact C-N 3.27Å; D170-A172 PolarHBondContact O-N 3.04Å; A172-E174 PolarHBondContact O-N 3.01Å; A172-R175 WeakPolarHBondContact O-CD 3.37Å; A172-R175 PolarHBondContact O-N 3.35Å; A172-V202 HydrophobicContact CB-CG1 3.75Å; A172-V203 WeakPolarHBondContact CB-O 3.13Å; A172-V203 PolarHBondContact N-O 3.19Å; A172-L208 WeakPolarHBondContact O-CD2 3.48Å; A172-L212 HydrophobicContact CB-CD1 3.95Å
173	Q	93.1	Very high	90.1	Very high	17 Å²	17	8.5 Å²	8.5	8%	0.079	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-64.4	-15.1	172.9	75.3	-76	-9.3	0	0	114.7	E171 R175 D205 L208 P401	E171-Q173 PolarHBondContact O-N 3.41Å; E171-Q173 PolarHBondContact OE2-NE2 3.02Å; Q173-R175 VanDerWaalsContact C-N 3.3Å; Q173-D205 HydrophobicContact CB-CB 4.35Å; Q173-D205 HydrophobicContact CG-CB 4.25Å; Q173-L208 HydrophobicContact CB-CB 4.25Å; Q173-L208 HydrophobicContact CB-CD2 4.26Å; Q173-P401 WeakPolarHBondContact O-CG 3.36Å
174	E	90.3	Very high	91.5	Very high	22 Å²	22	4.3 Å²	4.3	10%	0.103	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-79.7	-13.3	177.8	-60.2	-51.7	151.5	0	0	114	P103 E171 A172 S176 F329	P103-E174 HydrophobicContact CB-CB 4.34Å; P103-E174 HydrophobicContact CG-CB 3.97Å; P103-E174 HydrophobicContact CG-CG 4.18Å; E171-E174 HydrophobicContact CB-CG 4.09Å; E171-E174 WeakPolarHBondContact O-CB 3.03Å; E171-E174 WeakPolarHBondContact O-CG 3.15Å; E171-E174 PolarHBondContact O-N 2.84Å; A172-E174 PolarHBondContact O-N 3.01Å; E174-S176 PolarHBondContact O-N 2.79Å; E174-F329 HydrophobicContact CB-CE1 4.43Å; E174-F329 VanDerWaalsContact CD-CD1 3.43Å; E174-F329 HydrophobicContact CG-CD1 3.56Å; E174-F329 HydrophobicContact CG-CE1 3.65Å; E174-F329 VanDerWaalsContact OE2-CE1 3.24Å; E174-F329 WeakPolarHBondContact OE2-CE1 3.49Å
175	R	93.4	Very high	92.2	Very high	6 Å²	6	5 Å²	5	2%	0.023	3%	0.026	C	C	.	.			trans	51.1	39.4	169.2	-56.4	-59.1	-53.8	-78.3	-0.6	113.3	A172 Q173 D180 L208 P403 R404 L431 D432	A172-R175 WeakPolarHBondContact O-CD 3.37Å; A172-R175 PolarHBondContact O-N 3.35Å; Q173-R175 VanDerWaalsContact C-N 3.3Å; R175-D180 IonicContact CZ-OD1 3.69Å; R175-D180 IonicContact CZ-OD2 3.77Å; R175-D180 VanDerWaalsContact CZ-OD2 3.3Å; R175-D180 IonicContact NE-OD1 3.41Å; R175-D180 PolarHBondContact NE-OD1 2.86Å; R175-D180 IonicContact NE-OD2 2.98Å; R175-D180 PolarHBondContact NE-OD2 3.48Å; R175-D180 VanDerWaalsContact NE-OD2 3.09Å; R175-D180 IonicContact NH2-OD1 3.43Å; R175-D180 IonicContact NH2-OD2 2.82Å; R175-D180 PolarHBondContact NH2-OD2 2.78Å; R175-L208 HydrophobicContact CG-CD2 4.43Å; R175-P403 HydrophobicContact CB-CB 4.11Å; R175-R404 VanDerWaalsContact O-CB 3.25Å; R175-R404 WeakPolarHBondContact O-CB 3.45Å; R175-R404 VanDerWaalsContact O-CG 3.3Å; R175-R404 WeakPolarHBondContact O-CG 3.38Å; R175-R404 PolarHBondContact O-N 3.18Å; R175-L431 VanDerWaalsContact CZ-CD2 3.4Å; R175-D432 IonicContact CZ-OD2 3.09Å; R175-D432 IonicContact NH1-OD2 2.77Å; R175-D432 PolarHBondContact NH1-OD2 2.99Å; R175-D432 IonicContact NH2-OD2 2.8Å; R175-D432 PolarHBondContact NH2-OD2 2.99Å
176	S	93.6	Very high	92.3	Very high	12 Å²	12	5.7 Å²	5.7	8%	0.084	3%	0.03	C	C	.	.			trans	-62.6	152.8	175.5	71.7	0	0	0	0	110.1	D148 E174 A178 S179 D180	D148-S176 WeakPolarHBondContact OD2-CB 3.31Å; D148-S176 PolarHBondContact OD2-OG 3.04Å; E174-S176 PolarHBondContact O-N 2.79Å; S176-A178 PolarHBondContact O-N 3.17Å; S176-S179 PolarHBondContact O-N 2.87Å; S176-S179 WeakPolarHBondContact OG-CB 3.49Å; S176-S179 PolarHBondContact OG-N 3.27Å; S176-D180 PolarHBondContact O-N 3.05Å
177	V	94.2	Very high	91.8	Very high	6 Å²	6	8.1 Å²	8.1	4%	0.036	4%	0.041	C	C	.	.	H	α-helix	trans	-55	-44.2	177.3	-178.6	0	0	0	0	110.4	S181 R404 E408 L410 L413	V177-S181 VanDerWaalsContact O-CB 3.24Å; V177-S181 WeakPolarHBondContact O-CB 3.49Å; V177-S181 PolarHBondContact O-N 3.27Å; V177-S181 PolarHBondContact O-OG 2.87Å; V177-R404 HydrophobicContact CG2-CB 3.89Å; V177-E408 HydrophobicContact CG2-CB 3.91Å; V177-E408 HydrophobicContact CG2-CG 4.14Å; V177-E408 VanDerWaalsContact CG2-OE2 3.29Å; V177-E408 WeakPolarHBondContact CG2-OE2 3.28Å; V177-L410 HydrophobicContact CG1-CD2 4.22Å; V177-L413 HydrophobicContact CG1-CB 4.24Å; V177-L413 HydrophobicContact CG1-CD2 3.73Å; V177-L413 HydrophobicContact CG1-CG 4.42Å
178	A	93.4	Very high	90.8	Very high	2 Å²	2	10.7 Å²	10.7	2%	0.017	6%	0.055	C	C	.	.	H	α-helix	trans	-70.7	-42.3	-178	0	0	0	0	0	113.4	D148 R149 L152 S176 S181 L182	D148-A178 HydrophobicContact CB-CB 4.07Å; R149-A178 HydrophobicContact CB-CB 4.32Å; R149-A178 HydrophobicContact CG-CB 3.79Å; L152-A178 HydrophobicContact CB-CB 4.16Å; L152-A178 HydrophobicContact CD2-CB 4.02Å; S176-A178 PolarHBondContact O-N 3.17Å; A178-S181 PolarHBondContact O-N 3.12Å; A178-L182 VanDerWaalsContact O-CB 3.3Å; A178-L182 WeakPolarHBondContact O-CB 3.39Å; A178-L182 VanDerWaalsContact O-CG 3.24Å; A178-L182 WeakPolarHBondContact O-CG 3.31Å; A178-L182 PolarHBondContact O-N 2.92Å
179	S	93.7	Very high	89.1	Confident	2 Å²	2	12.5 Å²	12.5	1%	0.014	7%	0.07	C	C	.	.	H	α-helix	trans	-62.9	-47	176.8	-176.1	0	0	0	0	111.5	S176 S181 L182 Q183	S176-S179 PolarHBondContact O-N 2.87Å; S176-S179 WeakPolarHBondContact OG-CB 3.49Å; S176-S179 PolarHBondContact OG-N 3.27Å; S179-S181 VanDerWaalsContact C-N 3.33Å; S179-S181 PolarHBondContact O-N 3.05Å; S179-L182 PolarHBondContact O-N 3.22Å; S179-Q183 VanDerWaalsContact O-CG 3.25Å; S179-Q183 WeakPolarHBondContact O-CG 3.46Å; S179-Q183 PolarHBondContact O-N 3.26Å; S179-Q183 PolarHBondContact O-NE2 3.41Å; S179-Q183 PolarHBondContact OG-NE2 2.8Å
180	D	94	Very high	86.9	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-40.2	177.4	-83	14.9	0	0	0	111.6	R175 S176 Q183 G184	R175-D180 IonicContact CZ-OD1 3.69Å; R175-D180 IonicContact CZ-OD2 3.77Å; R175-D180 VanDerWaalsContact CZ-OD2 3.3Å; R175-D180 IonicContact NE-OD1 3.41Å; R175-D180 PolarHBondContact NE-OD1 2.86Å; R175-D180 IonicContact NE-OD2 2.98Å; R175-D180 PolarHBondContact NE-OD2 3.48Å; R175-D180 VanDerWaalsContact NE-OD2 3.09Å; R175-D180 IonicContact NH2-OD1 3.43Å; R175-D180 IonicContact NH2-OD2 2.82Å; R175-D180 PolarHBondContact NH2-OD2 2.78Å; S176-D180 PolarHBondContact O-N 3.05Å; D180-Q183 PolarHBondContact O-N 3.34Å; D180-G184 PolarHBondContact O-N 3.32Å
181	S	92	Very high	84.7	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.8	-43.2	178.4	-55.9	0	0	0	0	112.3	V177 A178 S179 Q183 G184 L185 L413	V177-S181 VanDerWaalsContact O-CB 3.24Å; V177-S181 WeakPolarHBondContact O-CB 3.49Å; V177-S181 PolarHBondContact O-N 3.27Å; V177-S181 PolarHBondContact O-OG 2.87Å; A178-S181 PolarHBondContact O-N 3.12Å; S179-S181 VanDerWaalsContact C-N 3.33Å; S179-S181 PolarHBondContact O-N 3.05Å; S181-Q183 VanDerWaalsContact C-N 3.3Å; S181-Q183 PolarHBondContact O-N 3.15Å; S181-G184 PolarHBondContact O-N 3.48Å; S181-L185 VanDerWaalsContact O-CG 3.28Å; S181-L185 WeakPolarHBondContact O-CG 3.24Å; S181-L185 PolarHBondContact O-N 2.98Å; S181-L413 WeakPolarHBondContact OG-CD1 3.35Å; S181-L413 WeakPolarHBondContact OG-CD2 3.3Å
182	L	91	Very high	82.5	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-58.5	-43.8	174.7	-78.8	169.2	0	0	0	110.8	T101 L151 L152 V155 L169 A178 S179 L185 L186	T101-L182 HydrophobicContact CG2-CD1 4.33Å; L151-L182 HydrophobicContact CB-CD1 4.37Å; L151-L182 HydrophobicContact CD2-CD1 4.08Å; L151-L182 HydrophobicContact CD2-CD2 4.5Å; L151-L182 HydrophobicContact CG-CD1 4.35Å; L151-L182 HydrophobicContact CG-CD2 4.39Å; L152-L182 HydrophobicContact CB-CD2 4.27Å; L152-L182 HydrophobicContact CB-CG 4.2Å; L152-L182 HydrophobicContact CD1-CD2 4.01Å; L152-L182 HydrophobicContact CD1-CG 4.13Å; V155-L182 HydrophobicContact CB-CD2 3.87Å; V155-L182 HydrophobicContact CG1-CD2 3.92Å; V155-L182 HydrophobicContact CG2-CD2 3.81Å; L169-L182 HydrophobicContact CD2-CD1 4.48Å; A178-L182 VanDerWaalsContact O-CB 3.3Å; A178-L182 WeakPolarHBondContact O-CB 3.39Å; A178-L182 VanDerWaalsContact O-CG 3.24Å; A178-L182 WeakPolarHBondContact O-CG 3.31Å; A178-L182 PolarHBondContact O-N 2.92Å; S179-L182 PolarHBondContact O-N 3.22Å; L182-L185 PolarHBondContact O-N 2.71Å; L182-L186 WeakPolarHBondContact O-CB 3.33Å; L182-L186 WeakPolarHBondContact O-CD1 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.38Å; L182-L186 PolarHBondContact O-N 2.82Å
183	Q	92.1	Very high	80.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-42.4	175.9	-69.3	-178.7	72.5	0	0	112.1	L169 S179 D180 S181 L186 Q187 F215 W216	L169-Q183 HydrophobicContact CD1-CG 3.44Å; L169-Q183 VanDerWaalsContact CD1-CG 3.44Å; S179-Q183 VanDerWaalsContact O-CG 3.25Å; S179-Q183 WeakPolarHBondContact O-CG 3.46Å; S179-Q183 PolarHBondContact O-N 3.26Å; S179-Q183 PolarHBondContact O-NE2 3.41Å; S179-Q183 PolarHBondContact OG-NE2 2.8Å; D180-Q183 PolarHBondContact O-N 3.34Å; S181-Q183 VanDerWaalsContact C-N 3.3Å; S181-Q183 PolarHBondContact O-N 3.15Å; Q183-L186 PolarHBondContact O-N 3.43Å; Q183-Q187 WeakPolarHBondContact O-CB 3.43Å; Q183-Q187 PolarHBondContact O-N 3.46Å; Q183-F215 HydrophobicContact CB-CE1 3.99Å; Q183-F215 HydrophobicContact CB-CZ 4.41Å; Q183-W216 HydrophobicContact CB-CZ2 3.88Å; Q183-W216 HydrophobicContact CG-CZ2 3.92Å
184	G	89.8	Confident	78	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-51.4	174.2	0	0	0	0	0	112.9	D180 S181 L186 Q187 D188 H429	D180-G184 PolarHBondContact O-N 3.32Å; S181-G184 PolarHBondContact O-N 3.48Å; G184-L186 VanDerWaalsContact C-N 3.28Å; G184-L186 PolarHBondContact O-N 2.73Å; G184-Q187 WeakPolarHBondContact O-CB 3.43Å; G184-Q187 PolarHBondContact O-N 3.23Å; G184-D188 PolarHBondContact O-N 3Å; G184-H429 WeakPolarHBondContact CA-O 3.17Å
185	L	84.9	Confident	76.1	Confident	23 Å²	23	46.3 Å²	46.3	12%	0.12	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-41.2	177.5	-69.2	175.3	0	0	0	112.7	L152 V155 S181 L182 Q187 A189 L417 I422	L152-L185 HydrophobicContact CD1-CD1 3.65Å; V155-L185 HydrophobicContact CG1-CD1 4.29Å; S181-L185 VanDerWaalsContact O-CG 3.28Å; S181-L185 WeakPolarHBondContact O-CG 3.24Å; S181-L185 PolarHBondContact O-N 2.98Å; L182-L185 PolarHBondContact O-N 2.71Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-A189 WeakPolarHBondContact O-CB 3.18Å; L185-A189 PolarHBondContact O-N 3.01Å; L185-L417 HydrophobicContact CD1-CD2 4.38Å; L185-L417 HydrophobicContact CD2-CD2 3.82Å; L185-L417 HydrophobicContact CG-CD2 4.31Å; L185-I422 HydrophobicContact CD2-CD1 3.27Å
186	L	83.1	Confident	74.3	Confident	17 Å²	17	49.2 Å²	49.2	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-72	-25.5	178	-69.7	167.1	0	0	0	112.9	L167 L169 L182 Q183 G184 L194 W216	L167-L186 HydrophobicContact CD2-CD1 3.66Å; L167-L186 HydrophobicContact CD2-CD2 4.44Å; L169-L186 HydrophobicContact CD1-CD1 4.04Å; L182-L186 WeakPolarHBondContact O-CB 3.33Å; L182-L186 WeakPolarHBondContact O-CD1 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.38Å; L182-L186 PolarHBondContact O-N 2.82Å; Q183-L186 PolarHBondContact O-N 3.43Å; G184-L186 VanDerWaalsContact C-N 3.28Å; G184-L186 PolarHBondContact O-N 2.73Å; L186-L194 HydrophobicContact CD2-CD1 4.09Å; L186-L194 HydrophobicContact CD2-CD2 4.3Å; L186-W216 HydrophobicContact CB-CH2 3.83Å
187	Q	80.3	Confident	73	Confident	50 Å²	50	54.8 Å²	54.8	23%	0.234	29%	0.294	C	S	.	.	H	α-helix	trans	-80.8	-43.5	176	-163.5	-151.5	25	0	0	111.7	Q183 G184 L185 R190 F215 W216 H429	Q183-Q187 WeakPolarHBondContact O-CB 3.43Å; Q183-Q187 PolarHBondContact O-N 3.46Å; G184-Q187 WeakPolarHBondContact O-CB 3.43Å; G184-Q187 PolarHBondContact O-N 3.23Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; Q187-R190 WeakPolarHBondContact O-CG 3.44Å; Q187-R190 PolarHBondContact O-N 2.87Å; Q187-F215 HydrophobicContact CB-CE1 4.15Å; Q187-F215 HydrophobicContact CB-CZ 4.04Å; Q187-F215 HydrophobicContact CG-CE1 4.36Å; Q187-F215 HydrophobicContact CG-CZ 4.34Å; Q187-F215 PolarHBondContact NE2-O 2.98Å; Q187-W216 HydrophobicContact CB-CZ3 4.32Å; Q187-H429 PolarHBondContact OE1-CD2 3.37Å; Q187-H429 VanDerWaalsContact OE1-CD2 3.23Å
188	D	70.8	Confident	72.3	Confident	55 Å²	55	55.1 Å²	55.1	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-47.2	177.3	-70.5	9.8	0	0	0	110.7	G184 R190 C428 H429	G184-D188 PolarHBondContact O-N 3Å; D188-R190 PolarHBondContact O-N 3.11Å; D188-C428 WeakPolarHBondContact OD2-CA 3.43Å; D188-H429 WeakPolarHBondContact OD1-CB 3.37Å; D188-H429 IonicContact OD1-CD2 3.37Å; D188-H429 PolarHBondContact OD1-CD2 3.08Å; D188-H429 IonicContact OD1-CE1 3.55Å; D188-H429 IonicContact OD1-CG 3.4Å; D188-H429 PolarHBondContact OD1-N 3.2Å; D188-H429 IonicContact OD1-ND1 3.66Å; D188-H429 PolarHBondContact OD1-ND1 3.5Å; D188-H429 IonicContact OD1-NE2 3.94Å; D188-H429 PolarHBondContact OD1-NE2 3.43Å; D188-H429 PolarHBondContact OD2-N 3.38Å
189	A	60.6	Low	72	Confident	40 Å²	40	57 Å²	57	33%	0.331	30%	0.302	S	S	.	.	S	Bend	trans	-73.6	64.6	170.3	0	0	0	0	0	109.7	L185 L191 L194	L185-A189 WeakPolarHBondContact O-CB 3.18Å; L185-A189 PolarHBondContact O-N 3.01Å; A189-L191 VanDerWaalsContact C-N 3.3Å; A189-L191 PolarHBondContact O-N 2.8Å; A189-L194 HydrophobicContact CB-CD1 4.45Å
190	R	51.2	Low	71.9	Confident	208 Å²	208	57.3 Å²	57.3	79%	0.785	30%	0.304	S	S	*	.			trans	-55	96.7	165.8	-76.9	-172.1	171.8	-158	-1.3	109.1	Q187 D188 E192	Q187-R190 WeakPolarHBondContact O-CG 3.44Å; Q187-R190 PolarHBondContact O-N 2.87Å; D188-R190 PolarHBondContact O-N 3.11Å; R190-E192 PolarHBondContact O-N 2.88Å
191	L	49.7	Very low	72	Confident	117 Å²	117	57.3 Å²	57.3	61%	0.613	30%	0.304	S	S	*	.	S	Bend	trans	50.1	-1.2	150.3	-67.7	158.8	0	0	0	119.7	A189	A189-L191 VanDerWaalsContact C-N 3.3Å; A189-L191 PolarHBondContact O-N 2.8Å
192	E	45.8	Very low	72.2	Confident	183 Å²	183	57.3 Å²	57.3	86%	0.855	30%	0.304	S	S	*	.	S	Bend	trans	-96.7	-27.7	-174.8	-69.5	-174.4	178.8	0	0	112.8	R190	R190-E192 PolarHBondContact O-N 2.88Å
193	N	44.4	Very low	72.5	Confident	155 Å²	155	57.3 Å²	57.3	83%	0.829	30%	0.304	S	S	*	.	S	Bend	trans	-116.9	-5.5	-177.7	-74	-24.8	0	0	0	114.9
194	L	50.7	Low	72.7	Confident	36 Å²	36	57.3 Å²	57.3	19%	0.188	30%	0.304	C	S	.	.	S	Bend	trans	-76.6	137.8	172.4	-73.1	163.2	0	0	0	108.9	L186 A189 G196 L198	L186-L194 HydrophobicContact CD2-CD1 4.09Å; L186-L194 HydrophobicContact CD2-CD2 4.3Å; A189-L194 HydrophobicContact CB-CD1 4.45Å; L194-G196 PolarHBondContact O-N 2.89Å; L194-L198 HydrophobicContact CB-CD2 4.34Å; L194-L198 HydrophobicContact CD1-CD2 4.14Å; L194-L198 HydrophobicContact CD2-CD2 4.12Å; L194-L198 HydrophobicContact CG-CD2 4.43Å
195	P	50.1	Low	72.8	Confident	60 Å²	60	58 Å²	58	39%	0.39	31%	0.308	S	S	.	.			trans	-65	109.1	-177.2	24.4	-32.9	0	0	0	111.7
196	G	55.7	Low	73.2	Confident	67 Å²	67	59.2 Å²	59.2	69%	0.691	32%	0.317	S	S	*	.	S	Bend	trans	66.6	-156.1	164.5	0	0	0	0	0	116.7	L194 L198	L194-G196 PolarHBondContact O-N 2.89Å; G196-L198 PolarHBondContact O-N 2.91Å
197	D	65.9	Low	73.7	Confident	129 Å²	129	60.6 Å²	60.6	69%	0.69	33%	0.331	S	S	*	.	S	Bend	trans	-66.1	39.7	-177.3	-67.2	-32.9	0	0	0	114.4	R199	D197-R199 PolarHBondContact O-N 2.97Å
198	L	78.6	Confident	74.4	Confident	13 Å²	13	58.4 Å²	58.4	7%	0.068	32%	0.321	C	S	.	.			trans	-58.1	130.5	-179.4	176.3	63.7	0	0	0	111	W164 L167 L194 G196	W164-L198 HydrophobicContact CB-CD1 3.7Å; W164-L198 WeakPolarHBondContact O-CD1 3.46Å; L167-L198 HydrophobicContact CB-CD1 4.45Å; L194-L198 HydrophobicContact CB-CD2 4.34Å; L194-L198 HydrophobicContact CD1-CD2 4.14Å; L194-L198 HydrophobicContact CD2-CD2 4.12Å; L194-L198 HydrophobicContact CG-CD2 4.43Å; G196-L198 PolarHBondContact O-N 2.91Å
199	R	87.1	Confident	75.6	Confident	40 Å²	40	56.6 Å²	56.6	15%	0.151	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.9	172.1	-53.4	-59.8	-176.4	148	1.2	110.8	L58 E59 N61 G64 G165 V166 L167 D197	L58-R199 HydrophobicContact CD1-CB 3.7Å; L58-R199 HydrophobicContact CD1-CG 4.08Å; L58-R199 PolarHBondContact O-NE 3.44Å; L58-R199 PolarHBondContact O-NH1 2.84Å; L58-R199 VanDerWaalsContact O-NH1 3.12Å; E59-R199 PolarHBondContact O-NH2 3.09Å; N61-R199 PolarHBondContact O-NH1 3.08Å; G64-R199 CarbonylContact O-C 3.54Å; G64-R199 WeakPolarHBondContact O-CA 3.26Å; G165-R199 PolarHBondContact O-N 3.16Å; G165-R199 VanDerWaalsContact O-N 3.09Å; V166-R199 CarbonylContact C-O 3.48Å; V166-R199 VanDerWaalsContact CA-O 3.3Å; V166-R199 WeakPolarHBondContact CA-O 3.43Å; V166-R199 HydrophobicContact CG1-CB 4.3Å; V166-R199 HydrophobicContact CG2-CB 4.19Å; L167-R199 PolarHBondContact N-O 2.99Å; D197-R199 PolarHBondContact O-N 2.97Å
200	V	91.9	Very high	77.3	Confident	10 Å²	10	58.6 Å²	58.6	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128	174.6	-176.5	0	0	0	0	108.9	G64 V65 V66 L167 L169 V202	G64-V200 PolarHBondContact O-N 3.34Å; V65-V200 CarbonylContact C-O 3.53Å; V65-V200 VanDerWaalsContact CA-O 3.29Å; V65-V200 WeakPolarHBondContact CA-O 3.33Å; V65-V200 HydrophobicContact CG2-CB 4.26Å; V66-V200 PolarHBondContact N-O 2.82Å; L167-V200 CarbonylContact O-C 3.57Å; L167-V200 WeakPolarHBondContact O-CA 2.99Å; L169-V200 HydrophobicContact CD1-CG1 4.25Å; L169-V200 HydrophobicContact CG-CG1 4.49Å; V200-V202 HydrophobicContact CG1-CG2 4.15Å
201	V	96.3	Very high	79.4	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.5	174.4	-177.6	0	0	0	0	107.7	F54 L58 V66 V68 I80 V166 L167 V168 L169 V203	F54-V201 HydrophobicContact CE2-CG1 3.87Å; F54-V201 HydrophobicContact CE2-CG2 4.14Å; F54-V201 HydrophobicContact CZ-CG1 4.33Å; F54-V201 HydrophobicContact CZ-CG2 4.13Å; L58-V201 HydrophobicContact CD1-CG2 3.79Å; V66-V201 WeakPolarHBondContact O-CA 3.38Å; V68-V201 HydrophobicContact CG2-CG1 3.86Å; I80-V201 HydrophobicContact CG2-CG1 3.95Å; V166-V201 HydrophobicContact CG1-CG2 4.01Å; L167-V201 PolarHBondContact O-N 3.04Å; V168-V201 CarbonylContact C-O 3.43Å; V168-V201 VanDerWaalsContact CA-O 3.3Å; V168-V201 WeakPolarHBondContact CA-O 3.44Å; V168-V201 HydrophobicContact CG1-CB 4.38Å; V168-V201 HydrophobicContact CG1-CG1 4.48Å; V168-V201 HydrophobicContact CG2-CB 4.25Å; L169-V201 PolarHBondContact N-O 3.44Å; V201-V203 HydrophobicContact CG1-CG2 4Å
202	V	97.1	Very high	81.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.4	175.8	-175.3	0	0	0	0	108.4	V66 L67 V68 L169 A172 V200 L212 W216	V66-V202 PolarHBondContact O-N 3.47Å; L67-V202 WeakPolarHBondContact CA-O 3.47Å; L67-V202 HydrophobicContact CD2-CB 3.56Å; L67-V202 HydrophobicContact CD2-CG1 4.13Å; L67-V202 HydrophobicContact CD2-CG2 4.03Å; V68-V202 PolarHBondContact N-O 3.49Å; L169-V202 HydrophobicContact CB-CG2 4.43Å; L169-V202 HydrophobicContact CD1-CG2 4.34Å; A172-V202 HydrophobicContact CB-CG1 3.75Å; V200-V202 HydrophobicContact CG1-CG2 4.15Å; V202-L212 HydrophobicContact CG1-CD1 4.11Å; V202-L212 HydrophobicContact CG1-CD2 4.41Å; V202-W216 HydrophobicContact CG2-CZ2 4.22Å
203	V	96.9	Very high	83.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.9	-176.3	-175.3	0	0	0	0	108.6	V68 K76 I80 V168 L169 D170 E171 A172 V201	V68-V203 HydrophobicContact CB-CG2 4.46Å; V68-V203 WeakPolarHBondContact O-CA 3.39Å; K76-V203 HydrophobicContact CB-CG1 3.57Å; K76-V203 HydrophobicContact CD-CG1 3.66Å; K76-V203 HydrophobicContact CG-CG1 4.16Å; I80-V203 HydrophobicContact CD1-CB 4.42Å; I80-V203 HydrophobicContact CD1-CG1 3.92Å; I80-V203 HydrophobicContact CD1-CG2 3.59Å; I80-V203 HydrophobicContact CG2-CG2 4.38Å; V168-V203 HydrophobicContact CG1-CG2 3.81Å; L169-V203 PolarHBondContact O-N 3.08Å; D170-V203 VanDerWaalsContact OD1-CB 3.32Å; D170-V203 WeakPolarHBondContact OD1-CB 3.49Å; D170-V203 VanDerWaalsContact OD1-CG1 3.24Å; D170-V203 WeakPolarHBondContact OD1-CG1 3.17Å; E171-V203 PolarHBondContact N-O 3.41Å; A172-V203 WeakPolarHBondContact CB-O 3.13Å; A172-V203 PolarHBondContact N-O 3.19Å; V201-V203 HydrophobicContact CG1-CG2 4Å
204	T	95.4	Very high	86.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	174.1	-172.3	-163.7	0	0	0	0	112.9	V68 G70 K76 E209 L212	V68-T204 PolarHBondContact O-N 3.45Å; G70-T204 PolarHBondContact N-O 3.48Å; K76-T204 WeakPolarHBondContact CE-O 3.3Å; T204-E209 HydrophobicContact CG2-CB 4.07Å; T204-L212 HydrophobicContact CG2-CD1 3.71Å
205	D	92.6	Very high	88.3	Confident	15 Å²	15	38 Å²	38	8%	0.08	23%	0.23	C	C	.	.			trans	-84.4	163.2	170.3	78.8	18.1	0	0	0	112.1	Q173 A207 L208 E209	Q173-D205 HydrophobicContact CB-CB 4.35Å; Q173-D205 HydrophobicContact CG-CB 4.25Å; D205-A207 PolarHBondContact O-N 3.04Å; D205-A207 WeakPolarHBondContact OD1-CA 3.24Å; D205-A207 WeakPolarHBondContact OD1-CB 3.43Å; D205-A207 PolarHBondContact OD1-N 2.69Å; D205-L208 PolarHBondContact OD1-N 3.2Å; D205-E209 PolarHBondContact O-N 2.85Å
206	P	93.4	Very high	90.3	Very high	49 Å²	49	36.7 Å²	36.7	32%	0.318	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.4	178.8	-23.4	35.8	0	0	0	114.7	E71	E71-P206 HydrophobicContact CG-CG 4.27Å
207	A	93.7	Very high	91.9	Very high	45 Å²	45	36.2 Å²	36.2	37%	0.372	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-39.7	-176.3	0	0	0	0	0	111.4	D205 C367 L400	D205-A207 PolarHBondContact O-N 3.04Å; D205-A207 WeakPolarHBondContact OD1-CA 3.24Å; D205-A207 WeakPolarHBondContact OD1-CB 3.43Å; D205-A207 PolarHBondContact OD1-N 2.69Å; A207-C367 HydrophobicContact CB-CB 3.73Å; A207-L400 HydrophobicContact CB-CD2 3.67Å
208	L	95	Very high	93.1	Very high	4 Å²	4	35 Å²	35	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-25.6	177.4	-173.3	68.5	0	0	0	113	A172 Q173 R175 D205 P210 K211 L212 L400	A172-L208 WeakPolarHBondContact O-CD2 3.48Å; Q173-L208 HydrophobicContact CB-CB 4.25Å; Q173-L208 HydrophobicContact CB-CD2 4.26Å; R175-L208 HydrophobicContact CG-CD2 4.43Å; D205-L208 PolarHBondContact OD1-N 3.2Å; L208-P210 VanDerWaalsContact C-N 3.34Å; L208-P210 VanDerWaalsContact O-N 3.11Å; L208-K211 HydrophobicContact CD1-CB 4.07Å; L208-K211 HydrophobicContact CD1-CD 4.03Å; L208-K211 WeakPolarHBondContact O-CB 3.49Å; L208-K211 PolarHBondContact O-N 3.37Å; L208-L212 HydrophobicContact CD2-CD1 3.66Å; L208-L212 HydrophobicContact CD2-CG 4.05Å; L208-L212 HydrophobicContact CG-CD1 3.88Å; L208-L212 HydrophobicContact CG-CG 4.04Å; L208-L212 PolarHBondContact O-N 3.06Å; L208-L400 HydrophobicContact CD1-CD1 4.24Å
209	E	95.7	Very high	93.7	Very high	18 Å²	18	34.8 Å²	34.8	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-43.2	-47.4	-177.1	-176.5	-146.7	120.4	0	0	114.7	S69 T204 D205 K211 L212 R213 I221 H223	S69-E209 WeakPolarHBondContact CB-OE2 3.32Å; S69-E209 PolarHBondContact OG-OE2 2.7Å; T204-E209 HydrophobicContact CG2-CB 4.07Å; D205-E209 PolarHBondContact O-N 2.85Å; E209-K211 PolarHBondContact O-N 3.37Å; E209-L212 PolarHBondContact O-N 3.44Å; E209-R213 WeakPolarHBondContact O-CB 3.34Å; E209-R213 PolarHBondContact O-N 3.04Å; E209-I221 HydrophobicContact CG-CD1 4.49Å; E209-I221 HydrophobicContact CG-CG2 4.38Å; E209-H223 VanDerWaalsContact CD-CE1 3.42Å; E209-H223 IonicContact OE1-CE1 3.8Å; E209-H223 PolarHBondContact OE1-CE1 3.26Å; E209-H223 IonicContact OE1-NE2 4Å; E209-H223 IonicContact OE2-CE1 3.48Å; E209-H223 PolarHBondContact OE2-CE1 3.03Å; E209-H223 IonicContact OE2-ND1 3.66Å; E209-H223 PolarHBondContact OE2-ND1 3.39Å
210	P	96	Very high	93.9	Very high	81 Å²	81	34.5 Å²	34.5	53%	0.526	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-33.1	-178.7	-23.6	35.4	0	0	0	113.4	L208 A214	L208-P210 VanDerWaalsContact C-N 3.34Å; L208-P210 VanDerWaalsContact O-N 3.11Å; P210-A214 PolarHBondContact O-N 3.44Å
211	K	95.4	Very high	94.1	Very high	69 Å²	69	35.6 Å²	35.6	30%	0.3	21%	0.214	S	C	.	.	H	α-helix	trans	-72.1	-45.7	178.4	-165.2	-179.8	-174.3	158.5	0	111	L208 E209 R213 A214 F215 L431 D432	L208-K211 HydrophobicContact CD1-CB 4.07Å; L208-K211 HydrophobicContact CD1-CD 4.03Å; L208-K211 WeakPolarHBondContact O-CB 3.49Å; L208-K211 PolarHBondContact O-N 3.37Å; E209-K211 PolarHBondContact O-N 3.37Å; K211-R213 VanDerWaalsContact C-N 3.32Å; K211-R213 PolarHBondContact O-N 3.46Å; K211-A214 PolarHBondContact O-N 3.36Å; K211-F215 WeakPolarHBondContact O-CB 3.48Å; K211-F215 PolarHBondContact O-N 2.8Å; K211-L431 HydrophobicContact CD-CD1 4.27Å; K211-L431 HydrophobicContact CD-CG 4.25Å; K211-L431 WeakPolarHBondContact CE-O 3.44Å; K211-L431 HydrophobicContact CG-CD1 3.95Å; K211-L431 HydrophobicContact CG-CG 4.48Å; K211-D432 IonicContact NZ-OD1 3.76Å; K211-D432 PolarHBondContact NZ-OD1 3.44Å; K211-D432 IonicContact NZ-OD2 2.6Å; K211-D432 PolarHBondContact NZ-OD2 3.04Å
212	L	95.7	Very high	94.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-39.1	175.9	-74.5	167.4	0	0	0	111.9	L67 A172 V202 T204 L208 E209 A214 F215 W216 L431	L67-L212 HydrophobicContact CD1-CB 4.37Å; L67-L212 HydrophobicContact CD2-CB 4.43Å; A172-L212 HydrophobicContact CB-CD1 3.95Å; V202-L212 HydrophobicContact CG1-CD1 4.11Å; V202-L212 HydrophobicContact CG1-CD2 4.41Å; T204-L212 HydrophobicContact CG2-CD1 3.71Å; L208-L212 HydrophobicContact CD2-CD1 3.66Å; L208-L212 HydrophobicContact CD2-CG 4.05Å; L208-L212 HydrophobicContact CG-CD1 3.88Å; L208-L212 HydrophobicContact CG-CG 4.04Å; L208-L212 PolarHBondContact O-N 3.06Å; E209-L212 PolarHBondContact O-N 3.44Å; L212-A214 VanDerWaalsContact C-N 3.33Å; L212-A214 PolarHBondContact O-N 2.74Å; L212-F215 PolarHBondContact O-N 3.28Å; L212-W216 VanDerWaalsContact O-CD1 3.27Å; L212-W216 PolarHBondContact O-N 2.89Å; L212-L431 HydrophobicContact CD2-CD1 4.44Å; L212-L431 HydrophobicContact CD2-CD2 3.74Å; L212-L431 HydrophobicContact CG-CD2 4.39Å
213	R	94.9	Very high	94	Very high	103 Å²	103	41 Å²	41	39%	0.389	24%	0.239	S	C	.	.	H	α-helix	trans	-57.8	-45.8	173.4	-178	-171.2	-177.7	137.9	4.3	111.8	L67 E209 K211 G217 N218 I221	L67-R213 HydrophobicContact CD1-CB 4.04Å; E209-R213 WeakPolarHBondContact O-CB 3.34Å; E209-R213 PolarHBondContact O-N 3.04Å; K211-R213 VanDerWaalsContact C-N 3.32Å; K211-R213 PolarHBondContact O-N 3.46Å; R213-G217 PolarHBondContact O-N 2.79Å; R213-N218 HydrophobicContact CG-CB 4.5Å; R213-N218 WeakPolarHBondContact CG-OD1 3.31Å; R213-N218 PolarHBondContact NE-OD1 2.91Å; R213-N218 WeakPolarHBondContact O-CA 3.22Å; R213-N218 PolarHBondContact O-N 3.17Å; R213-I221 HydrophobicContact CB-CD1 4.2Å; R213-I221 HydrophobicContact CG-CD1 3.86Å
214	A	94.1	Very high	93.8	Very high	71 Å²	71	41.8 Å²	41.8	59%	0.587	24%	0.243	S	C	*	.	H	α-helix	trans	-65.1	-43.4	177.7	0	0	0	0	0	111.5	P210 K211 L212 G217	P210-A214 PolarHBondContact O-N 3.44Å; K211-A214 PolarHBondContact O-N 3.36Å; L212-A214 VanDerWaalsContact C-N 3.33Å; L212-A214 PolarHBondContact O-N 2.74Å; A214-G217 PolarHBondContact O-N 3.06Å
215	F	93.4	Very high	93.4	Very high	24 Å²	24	45 Å²	45	11%	0.105	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-50.8	178.7	179	-97.7	0	0	0	112.6	Q183 Q187 K211 L212 G217 H429 L431	Q183-F215 HydrophobicContact CB-CE1 3.99Å; Q183-F215 HydrophobicContact CB-CZ 4.41Å; Q187-F215 HydrophobicContact CB-CE1 4.15Å; Q187-F215 HydrophobicContact CB-CZ 4.04Å; Q187-F215 HydrophobicContact CG-CE1 4.36Å; Q187-F215 HydrophobicContact CG-CZ 4.34Å; Q187-F215 PolarHBondContact NE2-O 2.98Å; K211-F215 WeakPolarHBondContact O-CB 3.48Å; K211-F215 PolarHBondContact O-N 2.8Å; L212-F215 PolarHBondContact O-N 3.28Å; F215-G217 PolarHBondContact O-N 2.89Å; F215-G217 VanDerWaalsContact O-N 3.16Å; F215-H429 HydrophobicContact CE2-CB 4.47Å; F215-H429 WeakPolarHBondContact CE2-O 3.41Å; F215-H429 VanDerWaalsContact CZ-O 3.23Å; F215-H429 WeakPolarHBondContact CZ-O 3.37Å; F215-L431 HydrophobicContact CB-CD1 3.45Å; F215-L431 VanDerWaalsContact CB-CD1 3.45Å; F215-L431 HydrophobicContact CD1-CD1 4.41Å; F215-L431 HydrophobicContact CD2-CB 4.31Å; F215-L431 HydrophobicContact CD2-CD1 3.72Å; F215-L431 HydrophobicContact CE2-CB 4.43Å; F215-L431 HydrophobicContact CG-CD1 3.6Å
216	W	91.2	Very high	92.7	Very high	32 Å²	32	52.5 Å²	52.5	12%	0.121	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	6.4	-178.9	-72.4	106	0	0	0	114.4	V65 Q183 L186 Q187 V202 L212 P219	V65-W216 HydrophobicContact CB-CE3 4.46Å; V65-W216 HydrophobicContact CG1-CD2 3.95Å; V65-W216 HydrophobicContact CG1-CE3 3.96Å; V65-W216 HydrophobicContact CG1-CG 4.22Å; V65-W216 HydrophobicContact CG1-CZ3 4.48Å; V65-W216 HydrophobicContact CG2-CE3 3.88Å; V65-W216 HydrophobicContact CG2-CZ3 3.92Å; Q183-W216 HydrophobicContact CB-CZ2 3.88Å; Q183-W216 HydrophobicContact CG-CZ2 3.92Å; L186-W216 HydrophobicContact CB-CH2 3.83Å; Q187-W216 HydrophobicContact CB-CZ3 4.32Å; V202-W216 HydrophobicContact CG2-CZ2 4.22Å; L212-W216 VanDerWaalsContact O-CD1 3.27Å; L212-W216 PolarHBondContact O-N 2.89Å; W216-P219 HydrophobicContact CB-CB 4.47Å; W216-P219 HydrophobicContact CB-CG 3.65Å
217	G	89.8	Confident	91.5	Very high	57 Å²	57	54.9 Å²	54.9	59%	0.588	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	36.8	176.9	0	0	0	0	0	114.6	R213 A214 F215	R213-G217 PolarHBondContact O-N 2.79Å; A214-G217 PolarHBondContact O-N 3.06Å; F215-G217 PolarHBondContact O-N 2.89Å; F215-G217 VanDerWaalsContact O-N 3.16Å
218	N	90	Very high	89.8	Confident	105 Å²	105	58.3 Å²	58.3	56%	0.561	33%	0.326	S	S	*	.	S	Bend	trans	60.8	57.8	-176.7	-60.7	-75	0	0	0	114.7	R213	R213-N218 HydrophobicContact CG-CB 4.5Å; R213-N218 WeakPolarHBondContact CG-OD1 3.31Å; R213-N218 PolarHBondContact NE-OD1 2.91Å; R213-N218 WeakPolarHBondContact O-CA 3.22Å; R213-N218 PolarHBondContact O-N 3.17Å
219	P	91	Very high	88.3	Confident	7 Å²	7	61 Å²	61	5%	0.045	35%	0.354	C	S	.	.			trans	-65.3	165.1	172.4	33.6	-40	0	0	0	111.5	V65 L67 W216 I221	V65-P219 HydrophobicContact CB-CB 4.38Å; V65-P219 HydrophobicContact CG1-CB 4.27Å; V65-P219 WeakPolarHBondContact O-CB 3.4Å; L67-P219 HydrophobicContact CD1-CG 3.43Å; L67-P219 VanDerWaalsContact CD1-CG 3.43Å; L67-P219 HydrophobicContact CD2-CG 4.24Å; L67-P219 HydrophobicContact CG-CB 4.44Å; L67-P219 HydrophobicContact CG-CG 3.44Å; L67-P219 VanDerWaalsContact CG-CG 3.44Å; W216-P219 HydrophobicContact CB-CB 4.47Å; W216-P219 HydrophobicContact CB-CG 3.65Å; P219-I221 WeakPolarHBondContact O-CG1 3.41Å
220	P	93.1	Very high	86.8	Confident	34 Å²	34	67.8 Å²	67.8	22%	0.221	39%	0.386	C	S	.	.			trans	-55.9	141.1	169	-23.2	34	0	0	0	112.3	Q57 N61 L67	Q57-P220 HydrophobicContact CG-CB 4.3Å; N61-P220 HydrophobicContact CB-CG 4.35Å; N61-P220 WeakPolarHBondContact ND2-CD 3.42Å; L67-P220 PolarHBondContact N-O 2.89Å
221	I	94.9	Very high	85.9	Confident	34 Å²	34	68.9 Å²	68.9	17%	0.174	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.2	-177.5	-47.4	-176.9	0	0	0	109.5	L67 E209 R213 P219	L67-I221 HydrophobicContact CB-CG1 4.25Å; L67-I221 HydrophobicContact CB-CG2 4.35Å; L67-I221 HydrophobicContact CD1-CG1 4.36Å; L67-I221 CarbonylContact O-C 3.58Å; L67-I221 WeakPolarHBondContact O-CA 3.33Å; E209-I221 HydrophobicContact CG-CD1 4.49Å; E209-I221 HydrophobicContact CG-CG2 4.38Å; R213-I221 HydrophobicContact CB-CD1 4.2Å; R213-I221 HydrophobicContact CG-CD1 3.86Å; P219-I221 WeakPolarHBondContact O-CG1 3.41Å
222	V	96.6	Very high	85.3	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.2	170.2	-176.5	0	0	0	0	107.8	A50 F54 Q57 V66 L67 V68 S69	A50-V222 HydrophobicContact CB-CG1 3.82Å; F54-V222 HydrophobicContact CB-CG1 4.3Å; F54-V222 HydrophobicContact CB-CG2 4.33Å; F54-V222 HydrophobicContact CD2-CG2 4.35Å; Q57-V222 HydrophobicContact CG-CG2 4.35Å; V66-V222 HydrophobicContact CG1-CG2 3.96Å; L67-V222 PolarHBondContact O-N 3.34Å; V68-V222 HydrophobicContact CG1-CB 4.43Å; V68-V222 HydrophobicContact CG2-CB 4.3Å; S69-V222 PolarHBondContact N-O 3.35Å
223	H	95.9	Very high	84.8	Confident	109 Å²	109	69.7 Å²	69.7	51%	0.505	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.3	173.2	-63.8	-74.3	0	0	0	110.2	E209	E209-H223 VanDerWaalsContact CD-CE1 3.42Å; E209-H223 IonicContact OE1-CE1 3.8Å; E209-H223 PolarHBondContact OE1-CE1 3.26Å; E209-H223 IonicContact OE1-NE2 4Å; E209-H223 IonicContact OE2-CE1 3.48Å; E209-H223 PolarHBondContact OE2-CE1 3.03Å; E209-H223 IonicContact OE2-ND1 3.66Å; E209-H223 PolarHBondContact OE2-ND1 3.39Å
224	I	92.9	Very high	84.6	Confident	15 Å²	15	66.5 Å²	66.5	8%	0.077	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-77.7	127.9	174.9	-63.3	170.5	0	0	0	108.4	P46 I47 V68 S69 K76 R226	P46-I224 HydrophobicContact CB-CG2 4.16Å; I47-I224 HydrophobicContact CB-CD1 4.09Å; I47-I224 HydrophobicContact CB-CG1 4.47Å; I47-I224 HydrophobicContact CB-CG2 4.32Å; I47-I224 HydrophobicContact CD1-CD1 3.6Å; I47-I224 HydrophobicContact CD1-CG1 4.44Å; I47-I224 HydrophobicContact CG1-CD1 3.64Å; I47-I224 HydrophobicContact CG1-CG1 4.01Å; V68-I224 HydrophobicContact CG1-CD1 3.98Å; V68-I224 HydrophobicContact CG1-CG1 4.29Å; S69-I224 PolarHBondContact O-N 3.46Å; K76-I224 HydrophobicContact CD-CD1 3.69Å; K76-I224 HydrophobicContact CG-CD1 3.41Å; K76-I224 VanDerWaalsContact CG-CD1 3.41Å; I224-R226 PolarHBondContact O-N 3.31Å
225	P	85.7	Confident	84.7	Confident	67 Å²	67	67.5 Å²	67.5	44%	0.435	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-55.1	137.3	175.8	-24.3	33.8	0	0	0	110.7	P46 A49 E227	P46-P225 WeakPolarHBondContact CB-O 3.46Å; A49-P225 HydrophobicContact CB-CG 4.13Å; P225-E227 PolarHBondContact O-N 3.43Å
226	R	78.6	Confident	84.8	Confident	174 Å²	174	69.4 Å²	69.4	66%	0.657	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-67.2	132.1	169.5	-70.8	-179.5	172	153.4	7.8	108.6	E71 I224 A228	E71-R226 IonicContact OE1-CZ 2.95Å; E71-R226 IonicContact OE1-NE 3.68Å; E71-R226 PolarHBondContact OE1-NE 2.87Å; I224-R226 PolarHBondContact O-N 3.31Å; R226-A228 PolarHBondContact O-N 2.91Å
227	E	68.2	Low	85	Confident	99 Å²	99	71.5 Å²	71.5	46%	0.463	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-57.7	134	173.5	-118.8	168.5	-178	0	0	110.1	P46 P225 G229	P46-E227 HydrophobicContact CB-CG 4.01Å; P46-E227 VanDerWaalsContact CD-OE1 3.27Å; P46-E227 WeakPolarHBondContact CD-OE1 3.37Å; P46-E227 HydrophobicContact CG-CB 4.39Å; P46-E227 HydrophobicContact CG-CG 3.73Å; P225-E227 PolarHBondContact O-N 3.43Å; E227-G229 VanDerWaalsContact C-N 3.33Å; E227-G229 PolarHBondContact O-N 2.92Å
228	A	58.2	Low	85.1	Confident	117 Å²	117	76.2 Å²	76.2	97%	0.967	41%	0.408	S	S	*	.	S	Bend	trans	-77.2	84.9	174.7	0	0	0	0	0	109	R226	R226-A228 PolarHBondContact O-N 2.91Å
229	G	63	Low	85.2	Confident	59 Å²	59	76 Å²	76	61%	0.608	41%	0.411	S	S	*	.	S	Bend	trans	-151.8	158	179.3	0	0	0	0	0	112.7	E227 R231	E227-G229 VanDerWaalsContact C-N 3.33Å; E227-G229 PolarHBondContact O-N 2.92Å; G229-R231 PolarHBondContact O-N 3.44Å
230	E	65.1	Low	85.3	Confident	161 Å²	161	79.8 Å²	79.8	75%	0.752	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-67.9	126.4	172.5	-75.2	-176.1	173.7	0	0	109.8	P381	E230-P381 HydrophobicContact CB-CG 4.11Å
231	R	76.4	Confident	85.3	Confident	104 Å²	104	78.7 Å²	78.7	39%	0.392	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-70.5	140.8	175.1	-69.9	-174.6	178.1	-150.3	-6.9	109.7	E71 G229 S233 E370	E71-R231 IonicContact OE1-CZ 2.67Å; E71-R231 IonicContact OE1-NH2 2.73Å; E71-R231 PolarHBondContact OE1-NH2 2.89Å; E71-R231 IonicContact OE2-NH2 3.05Å; G229-R231 PolarHBondContact O-N 3.44Å; R231-S233 PolarHBondContact O-N 3.48Å; R231-S233 VanDerWaalsContact O-N 3.13Å; R231-E370 IonicContact CZ-OE1 3.92Å; R231-E370 IonicContact NH1-OE1 2.86Å; R231-E370 PolarHBondContact NH1-OE1 3.38Å
232	P	82.9	Confident	85.1	Confident	3 Å²	3	83.9 Å²	83.9	2%	0.019	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-54.3	121.9	170.4	-24.7	35.1	0	0	0	109.9	R373 A376	P232-R373 HydrophobicContact CB-CG 4.24Å; P232-R373 WeakPolarHBondContact O-CD 3.04Å; P232-A376 HydrophobicContact CB-CB 4.17Å; P232-A376 HydrophobicContact CG-CB 4.02Å; P232-A376 VanDerWaalsContact CG-O 3.28Å; P232-A376 WeakPolarHBondContact CG-O 3.25Å
233	S	85.2	Confident	85	Confident	83 Å²	83	87.4 Å²	87.4	58%	0.58	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-75.3	125.7	177	57.9	0	0	0	0	109.6	R231	R231-S233 PolarHBondContact O-N 3.48Å; R231-S233 VanDerWaalsContact O-N 3.13Å
234	P	91.5	Very high	84.9	Confident	36 Å²	36	85.1 Å²	85.1	23%	0.234	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.6	176.8	30.4	-32	0	0	0	110.3	Y236 C384	P234-Y236 HydrophobicContact CB-CD2 4.48Å; P234-Y236 HydrophobicContact CB-CE2 3.74Å; P234-Y236 HydrophobicContact CG-CE2 3.66Å; P234-C384 CarbonylContact C-O 3.58Å; P234-C384 WeakPolarHBondContact CA-O 3.4Å
235	I	95.1	Very high	85.1	Confident	93 Å²	93	85.1 Å²	85.1	48%	0.477	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.2	173	-58.2	172	0	0	0	106.8	C384 L385 C386	I235-C384 PolarHBondContact N-O 2.87Å; I235-L385 HydrophobicContact CB-CD1 4.13Å; I235-L385 HydrophobicContact CG2-CD1 3.94Å; I235-C386 PolarHBondContact O-N 3.41Å
236	Y	96.1	Very high	85.6	Confident	63 Å²	63	87 Å²	87	25%	0.247	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.8	179.6	-62.1	-83.5	0	0	0	110.4	P234 C386 Y388 K390	P234-Y236 HydrophobicContact CB-CD2 4.48Å; P234-Y236 HydrophobicContact CB-CE2 3.74Å; P234-Y236 HydrophobicContact CG-CE2 3.66Å; Y236-C386 HydrophobicContact CD1-CB 3.49Å; Y236-C386 VanDerWaalsContact CD1-CB 3.49Å; Y236-C386 HydrophobicContact CE1-CB 3.82Å; Y236-C386 HydrophobicContact CG-CB 4.3Å; Y236-Y388 WeakPolarHBondContact CB-O 3.43Å; Y236-Y388 HydrophobicContact CD1-CD2 4.24Å; Y236-Y388 HydrophobicContact CD1-CE2 4.14Å; Y236-Y388 WeakPolarHBondContact CD1-O 3.46Å; Y236-Y388 HydrophobicContact CE1-CD2 4.43Å; Y236-Y388 AromaticContact CE1-CE2 3.9Å; Y236-Y388 HydrophobicContact CE1-CE2 3.9Å; Y236-K390 HydrophobicContact CD1-CB 4.17Å; Y236-K390 HydrophobicContact CD2-CB 3.91Å; Y236-K390 HydrophobicContact CD2-CD 4.45Å; Y236-K390 HydrophobicContact CD2-CG 4.18Å; Y236-K390 HydrophobicContact CE1-CB 4.43Å; Y236-K390 HydrophobicContact CE1-CG 4.48Å; Y236-K390 HydrophobicContact CE2-CB 4.15Å; Y236-K390 HydrophobicContact CE2-CD 4.19Å; Y236-K390 HydrophobicContact CE2-CG 3.92Å; Y236-K390 HydrophobicContact CG-CB 3.92Å
237	R	94.2	Very high	86.4	Confident	77 Å²	77	78.9 Å²	78.9	29%	0.291	44%	0.438	S	S	.	.			trans	-73.5	149.6	165.6	-75.3	-153.4	174.2	-155.1	2.7	110.7	T239 C386 Y388 P389	R237-T239 VanDerWaalsContact C-N 3.28Å; R237-T239 PolarHBondContact O-N 3.45Å; R237-C386 PolarHBondContact N-O 3.43Å; R237-C386 VanDerWaalsContact N-O 3.09Å; R237-Y388 PolarHBondContact N-O 2.51Å; R237-Y388 CarbonylContact O-C 3.47Å; R237-P389 WeakPolarHBondContact O-CA 3.35Å; R237-P389 WeakPolarHBondContact O-CB 3.34Å
238	D	92.6	Very high	87.8	Confident	156 Å²	156	74.1 Å²	74.1	83%	0.834	42%	0.416	S	S	*	.	S	Bend	trans	-69.1	-28.5	179.1	-62.7	-40.9	0	0	0	112.9
239	T	92.7	Very high	89.7	Confident	100 Å²	100	68.8 Å²	68.8	61%	0.613	37%	0.371	S	S	*	.	S	Bend	trans	-136.4	157	-178.8	59.9	0	0	0	0	111.5	R237	R237-T239 VanDerWaalsContact C-N 3.28Å; R237-T239 PolarHBondContact O-N 3.45Å
240	I	91.9	Very high	91.2	Very high	86 Å²	86	69.5 Å²	69.5	44%	0.441	36%	0.358	S	S	.	.			trans	-71	126.5	171.5	-59.9	174.3	0	0	0	107.9	P389 F392	I240-P389 HydrophobicContact CG1-CG 4.37Å; I240-F392 HydrophobicContact CD1-CD2 3.91Å; I240-F392 HydrophobicContact CD1-CE2 4.26Å
241	P	92.8	Very high	92.7	Very high	12 Å²	12	62 Å²	62	8%	0.078	32%	0.324	C	S	.	.			trans	-68.3	145.1	180	28.6	-34.3	0	0	0	110.9	R244 A247 L387	P241-R244 HydrophobicContact CG-CG 4.37Å; P241-A247 HydrophobicContact CB-CB 3.69Å; P241-A247 HydrophobicContact CG-CB 3.89Å; P241-L387 WeakPolarHBondContact CD-O 3.48Å; P241-L387 HydrophobicContact CG-CB 4.38Å
242	P	91.5	Very high	93.6	Very high	143 Å²	143	57 Å²	57	93%	0.929	31%	0.305	S	S	*	.	S	Bend	trans	-67.2	-38.5	176.4	27.5	-33.4	0	0	0	111.7
243	D	94.6	Very high	94.1	Very high	78 Å²	78	57 Å²	57	42%	0.417	31%	0.305	S	S	.	.			trans	-118.6	115	173.4	-170	-33.9	0	0	0	109.3	V245 E246 A247	D243-V245 WeakPolarHBondContact OD1-CB 3.41Å; D243-V245 PolarHBondContact OD1-N 2.94Å; D243-E246 HydrophobicContact CB-CB 3.91Å; D243-E246 PolarHBondContact OD1-N 3.39Å; D243-A247 WeakPolarHBondContact O-CB 3.42Å; D243-A247 PolarHBondContact O-N 3.21Å; D243-A247 VanDerWaalsContact O-N 3.17Å
244	R	94.6	Very high	94.4	Very high	62 Å²	62	57.2 Å²	57.2	23%	0.234	30%	0.297	C	S	.	.	H	α-helix	trans	-76.1	-35.3	-178	-60	180	-159.6	93.3	2.6	112	P241 A247 A248 E273	P241-R244 HydrophobicContact CG-CG 4.37Å; R244-A247 PolarHBondContact O-N 3.32Å; R244-A248 VanDerWaalsContact O-CB 3.3Å; R244-A248 WeakPolarHBondContact O-CB 3.48Å; R244-A248 PolarHBondContact O-N 2.9Å; R244-E273 IonicContact NH1-OE1 2.65Å
245	V	96.3	Very high	94.4	Very high	15 Å²	15	56.7 Å²	56.7	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-48	179.5	173.7	0	0	0	0	108.7	D243 A247 A248 C249 L268 E273 L276 C277	D243-V245 WeakPolarHBondContact OD1-CB 3.41Å; D243-V245 PolarHBondContact OD1-N 2.94Å; V245-A247 PolarHBondContact O-N 3.15Å; V245-A248 PolarHBondContact O-N 3.4Å; V245-C249 WeakPolarHBondContact O-CB 3.43Å; V245-C249 PolarHBondContact O-N 3.33Å; V245-C249 PolarHBondContact O-SG 3.03Å; V245-L268 HydrophobicContact CG2-CD1 4.46Å; V245-E273 HydrophobicContact CG2-CB 3.77Å; V245-E273 HydrophobicContact CG2-CG 3.92Å; V245-L276 HydrophobicContact CG1-CB 4.25Å; V245-C277 HydrophobicContact CG1-CB 3.85Å
246	E	96.1	Very high	94.2	Very high	105 Å²	105	52.5 Å²	52.5	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-59.8	-46.4	176.1	-167.1	-170.3	165.9	0	0	111.4	D243 A248 C249 Q250	D243-E246 HydrophobicContact CB-CB 3.91Å; D243-E246 PolarHBondContact OD1-N 3.39Å; E246-A248 VanDerWaalsContact C-N 3.33Å; E246-A248 PolarHBondContact O-N 2.85Å; E246-C249 PolarHBondContact O-N 3.05Å; E246-Q250 WeakPolarHBondContact O-CB 3.48Å; E246-Q250 VanDerWaalsContact O-CG 3.3Å; E246-Q250 WeakPolarHBondContact O-CG 3.37Å; E246-Q250 PolarHBondContact O-N 3.18Å; E246-Q250 PolarHBondContact OE1-NE2 2.64Å
247	A	96.6	Very high	93.8	Very high	4 Å²	4	56.3 Å²	56.3	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-38	179	0	0	0	0	0	112.9	P241 D243 R244 V245 A251 L387	P241-A247 HydrophobicContact CB-CB 3.69Å; P241-A247 HydrophobicContact CG-CB 3.89Å; D243-A247 WeakPolarHBondContact O-CB 3.42Å; D243-A247 PolarHBondContact O-N 3.21Å; D243-A247 VanDerWaalsContact O-N 3.17Å; R244-A247 PolarHBondContact O-N 3.32Å; V245-A247 PolarHBondContact O-N 3.15Å; A247-A251 WeakPolarHBondContact O-CB 3.25Å; A247-A251 PolarHBondContact O-N 2.99Å; A247-A251 VanDerWaalsContact O-N 3.12Å; A247-L387 HydrophobicContact CB-CD1 4.43Å
248	A	97.3	Very high	93.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-46.3	174.3	0	0	0	0	0	111.3	R244 V245 E246 Q250 A251 V252 V266 L268 I340 L387	R244-A248 VanDerWaalsContact O-CB 3.3Å; R244-A248 WeakPolarHBondContact O-CB 3.48Å; R244-A248 PolarHBondContact O-N 2.9Å; V245-A248 PolarHBondContact O-N 3.4Å; E246-A248 VanDerWaalsContact C-N 3.33Å; E246-A248 PolarHBondContact O-N 2.85Å; A248-Q250 PolarHBondContact O-N 3.29Å; A248-A251 PolarHBondContact O-N 2.99Å; A248-V252 WeakPolarHBondContact O-CG2 3.21Å; A248-V252 PolarHBondContact O-N 2.88Å; A248-V266 HydrophobicContact CB-CG1 3.94Å; A248-L268 HydrophobicContact CB-CD2 4.21Å; A248-I340 HydrophobicContact CB-CG2 4.47Å; A248-L387 HydrophobicContact CB-CD1 4.01Å
249	C	96.5	Very high	93.1	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.027	28%	0.275	C	S	.	.	H	α-helix	trans	-56.3	-50.8	175.8	-69.7	0	0	0	0	111.1	V245 E246 A251 V252 L253 C277 L281	V245-C249 WeakPolarHBondContact O-CB 3.43Å; V245-C249 PolarHBondContact O-N 3.33Å; V245-C249 PolarHBondContact O-SG 3.03Å; E246-C249 PolarHBondContact O-N 3.05Å; C249-A251 VanDerWaalsContact C-N 3.31Å; C249-A251 PolarHBondContact O-N 2.88Å; C249-V252 PolarHBondContact O-N 2.96Å; C249-L253 WeakPolarHBondContact O-CD1 3.4Å; C249-L253 WeakPolarHBondContact O-CG 3.35Å; C249-L253 PolarHBondContact O-N 3.48Å; C249-C277 VanDerWaalsContact SG-SG 3.68Å; C249-L281 HydrophobicContact CB-CD2 4.03Å; C249-L281 HydrophobicContact CB-CG 4.36Å
250	Q	95.4	Very high	92.7	Very high	74 Å²	74	51.2 Å²	51.2	35%	0.346	25%	0.253	S	S	.	.	H	α-helix	trans	-56.3	-44.7	178.1	-72.9	174.5	1.6	0	0	112.1	E246 A248 L253 E254	E246-Q250 WeakPolarHBondContact O-CB 3.48Å; E246-Q250 VanDerWaalsContact O-CG 3.3Å; E246-Q250 WeakPolarHBondContact O-CG 3.37Å; E246-Q250 PolarHBondContact O-N 3.18Å; E246-Q250 PolarHBondContact OE1-NE2 2.64Å; A248-Q250 PolarHBondContact O-N 3.29Å; Q250-L253 PolarHBondContact O-N 3.28Å; Q250-E254 WeakPolarHBondContact O-CG 3.41Å; Q250-E254 PolarHBondContact O-N 3.05Å
251	A	95.7	Very high	92.5	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-43.8	178.3	0	0	0	0	0	112.8	A247 A248 C249 E254 L255 I340 L385	A247-A251 WeakPolarHBondContact O-CB 3.25Å; A247-A251 PolarHBondContact O-N 2.99Å; A247-A251 VanDerWaalsContact O-N 3.12Å; A248-A251 PolarHBondContact O-N 2.99Å; C249-A251 VanDerWaalsContact C-N 3.31Å; C249-A251 PolarHBondContact O-N 2.88Å; A251-E254 PolarHBondContact O-N 3.27Å; A251-L255 WeakPolarHBondContact O-CG 3.47Å; A251-L255 PolarHBondContact O-N 3.43Å; A251-L255 VanDerWaalsContact O-N 3.16Å; A251-I340 HydrophobicContact CB-CD1 3.67Å; A251-I340 HydrophobicContact CB-CG1 4.29Å; A251-I340 HydrophobicContact CB-CG2 4.44Å; A251-L385 HydrophobicContact CB-CD2 3.39Å
252	V	95.4	Very high	92.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-46.8	174.7	172.8	0	0	0	0	110.5	A248 C249 E254 L255 C256 V264 V266 L281 V320 I340	A248-V252 WeakPolarHBondContact O-CG2 3.21Å; A248-V252 PolarHBondContact O-N 2.88Å; C249-V252 PolarHBondContact O-N 2.96Å; V252-E254 VanDerWaalsContact C-N 3.32Å; V252-E254 PolarHBondContact O-N 2.86Å; V252-L255 WeakPolarHBondContact O-CB 3.48Å; V252-L255 PolarHBondContact O-N 3.43Å; V252-L255 VanDerWaalsContact O-N 3.16Å; V252-C256 PolarHBondContact O-N 2.98Å; V252-C256 PolarHBondContact O-SG 3.39Å; V252-V264 HydrophobicContact CG2-CG1 4.26Å; V252-V266 HydrophobicContact CG2-CG2 3.73Å; V252-L281 HydrophobicContact CB-CD1 4.45Å; V252-L281 HydrophobicContact CB-CD2 3.89Å; V252-L281 HydrophobicContact CG1-CD1 4.32Å; V252-L281 HydrophobicContact CG1-CD2 3.85Å; V252-L281 HydrophobicContact CG2-CD1 4.23Å; V252-L281 HydrophobicContact CG2-CD2 4.5Å; V252-V320 HydrophobicContact CG1-CG1 3.98Å; V252-V320 HydrophobicContact CG1-CG2 3.91Å; V252-V320 HydrophobicContact CG2-CG1 4.15Å; V252-I340 HydrophobicContact CB-CD1 4.44Å; V252-I340 HydrophobicContact CG2-CD1 3.53Å
253	L	93.5	Very high	92.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-36.2	-178.3	-63.8	162.7	0	0	0	111.8	C249 Q250 C256 R257 L281 E284 V285 L288	C249-L253 WeakPolarHBondContact O-CD1 3.4Å; C249-L253 WeakPolarHBondContact O-CG 3.35Å; C249-L253 PolarHBondContact O-N 3.48Å; Q250-L253 PolarHBondContact O-N 3.28Å; L253-C256 WeakPolarHBondContact O-CB 3.35Å; L253-C256 PolarHBondContact O-N 3.4Å; L253-R257 VanDerWaalsContact O-CG 3.3Å; L253-R257 WeakPolarHBondContact O-CG 3.4Å; L253-R257 PolarHBondContact O-N 2.99Å; L253-L281 HydrophobicContact CD2-CD2 4.36Å; L253-L281 HydrophobicContact CG-CD2 4.19Å; L253-E284 HydrophobicContact CD1-CB 4.21Å; L253-E284 WeakPolarHBondContact CD1-OE2 3.34Å; L253-E284 HydrophobicContact CD2-CB 3.95Å; L253-V285 HydrophobicContact CD2-CG2 4.23Å; L253-L288 HydrophobicContact CD2-CD1 3.59Å; L253-L288 HydrophobicContact CD2-CG 4.43Å
254	E	93.1	Very high	92.2	Very high	88 Å²	88	41.5 Å²	41.5	41%	0.411	20%	0.203	S	C	.	.	H	α-helix	trans	-61.5	-43.8	171.8	-77.3	-179	-159.8	0	0	112.5	Q250 A251 V252 C256 R257 K258	Q250-E254 WeakPolarHBondContact O-CG 3.41Å; Q250-E254 PolarHBondContact O-N 3.05Å; A251-E254 PolarHBondContact O-N 3.27Å; V252-E254 VanDerWaalsContact C-N 3.32Å; V252-E254 PolarHBondContact O-N 2.86Å; E254-C256 VanDerWaalsContact C-N 3.26Å; E254-C256 PolarHBondContact O-N 3.49Å; E254-R257 PolarHBondContact O-N 2.74Å; E254-K258 WeakPolarHBondContact O-CB 3.04Å; E254-K258 WeakPolarHBondContact O-CG 3.35Å; E254-K258 PolarHBondContact O-N 2.82Å
255	L	91.5	Very high	92.3	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.131	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-33.5	174.4	-69	171.7	0	0	0	111.9	A251 V252 E259 A260 V264 R318 H338 I340	A251-L255 WeakPolarHBondContact O-CG 3.47Å; A251-L255 PolarHBondContact O-N 3.43Å; A251-L255 VanDerWaalsContact O-N 3.16Å; V252-L255 WeakPolarHBondContact O-CB 3.48Å; V252-L255 PolarHBondContact O-N 3.43Å; V252-L255 VanDerWaalsContact O-N 3.16Å; L255-E259 PolarHBondContact O-N 3.17Å; L255-A260 PolarHBondContact O-N 2.89Å; L255-V264 HydrophobicContact CD1-CG1 4.29Å; L255-V264 HydrophobicContact CD1-CG2 4.1Å; L255-R318 PolarHBondContact O-NH1 2.83Å; L255-R318 VanDerWaalsContact O-NH1 3.15Å; L255-R318 PolarHBondContact O-NH2 2.81Å; L255-H338 HydrophobicContact CD1-CB 3.75Å; L255-I340 HydrophobicContact CD1-CD1 4.27Å
256	C	89.5	Confident	92.3	Very high	5 Å²	5	38 Å²	38	3%	0.034	19%	0.188	C	C	.	.	H	α-helix	trans	-70	-47.2	175.7	-62.6	0	0	0	0	111.4	V252 L253 E254 K258 E259 L288 L290 R318	V252-C256 PolarHBondContact O-N 2.98Å; V252-C256 PolarHBondContact O-SG 3.39Å; L253-C256 WeakPolarHBondContact O-CB 3.35Å; L253-C256 PolarHBondContact O-N 3.4Å; E254-C256 VanDerWaalsContact C-N 3.26Å; E254-C256 PolarHBondContact O-N 3.49Å; C256-K258 VanDerWaalsContact C-N 3.27Å; C256-K258 PolarHBondContact O-N 2.99Å; C256-E259 PolarHBondContact O-N 3.3Å; C256-L288 HydrophobicContact CB-CD1 4.2Å; C256-L290 HydrophobicContact CB-CD2 4.43Å; C256-R318 VanDerWaalsContact CA-NH1 3.35Å; C256-R318 PolarHBondContact SG-NH1 3.33Å
257	R	89.2	Confident	92.4	Very high	143 Å²	143	33 Å²	33	54%	0.54	17%	0.165	S	C	.	.	H	α-helix	trans	-61.9	-32.9	177.4	-70.9	176.4	-164.1	119.2	1.9	113.2	L253 E254 E259 L288	L253-R257 VanDerWaalsContact O-CG 3.3Å; L253-R257 WeakPolarHBondContact O-CG 3.4Å; L253-R257 PolarHBondContact O-N 2.99Å; E254-R257 PolarHBondContact O-N 2.74Å; R257-E259 PolarHBondContact O-N 3.47Å; R257-L288 HydrophobicContact CG-CD2 4.09Å
258	K	88.3	Confident	92.4	Very high	150 Å²	150	32.8 Å²	32.8	65%	0.652	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.9	175	-70.8	171.8	-177.7	166.6	0	113.4	E254 C256 A260	E254-K258 WeakPolarHBondContact O-CB 3.04Å; E254-K258 WeakPolarHBondContact O-CG 3.35Å; E254-K258 PolarHBondContact O-N 2.82Å; C256-K258 VanDerWaalsContact C-N 3.27Å; C256-K258 PolarHBondContact O-N 2.99Å; K258-A260 PolarHBondContact O-N 3.01Å; K258-A260 VanDerWaalsContact O-N 3.14Å
259	E	83.1	Confident	92.2	Very high	60 Å²	60	33 Å²	33	28%	0.28	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	35	-176.2	-58.9	-168.4	158.3	0	0	114.1	L255 C256 R257 Q291 R292	L255-E259 PolarHBondContact O-N 3.17Å; C256-E259 PolarHBondContact O-N 3.3Å; R257-E259 PolarHBondContact O-N 3.47Å; E259-Q291 VanDerWaalsContact OE1-CB 3.31Å; E259-Q291 WeakPolarHBondContact OE1-CB 3.35Å; E259-Q291 WeakPolarHBondContact OE1-CG 3.13Å; E259-Q291 PolarHBondContact OE1-N 3.06Å; E259-R292 PolarHBondContact O-NH1 2.85Å
260	A	84.4	Confident	91.9	Very high	17 Å²	17	33.6 Å²	33.6	14%	0.14	17%	0.169	C	C	.	.			trans	-53.7	147.2	179	0	0	0	0	0	111.8	L255 K258 R318 H338	L255-A260 PolarHBondContact O-N 2.89Å; K258-A260 PolarHBondContact O-N 3.01Å; K258-A260 VanDerWaalsContact O-N 3.14Å; A260-R318 VanDerWaalsContact C-NH2 3.33Å; A260-R318 PolarHBondContact O-NH2 3Å; A260-H338 WeakPolarHBondContact CB-NE2 3.4Å
261	P	86.4	Confident	91.5	Very high	76 Å²	76	33.3 Å²	33.3	49%	0.494	17%	0.168	S	C	.	.	S	Bend	trans	-72.4	159.3	171.3	30.2	-33	0	0	0	111.2	Q337 H338	P261-Q337 PolarHBondContact O-OE1 3.07Å; P261-H338 PolarHBondContact O-NE2 3.38Å
262	G	88.4	Confident	91	Very high	24 Å²	24	40.5 Å²	40.5	25%	0.247	20%	0.201	C	C	.	.	S	Bend	trans	83	168	172.1	0	0	0	0	0	116.1	R318	G262-R318 WeakPolarHBondContact O-CG 3.34Å; G262-R318 PolarHBondContact O-NE 3.4Å; G262-R318 VanDerWaalsContact O-NE 3.14Å
263	D	91.9	Very high	90.9	Very high	15 Å²	15	42.3 Å²	42.3	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	161.9	-176.4	-67.7	-21.4	0	0	0	112	K319 S335 I336 Q337 H338	D263-K319 WeakPolarHBondContact CA-O 3.02Å; D263-K319 HydrophobicContact CB-CB 4.23Å; D263-K319 WeakPolarHBondContact CB-O 3.36Å; D263-K319 PolarHBondContact OD1-N 3.48Å; D263-K319 WeakPolarHBondContact OD2-CE 3.48Å; D263-S335 WeakPolarHBondContact CB-O 3.47Å; D263-S335 PolarHBondContact N-O 3.23Å; D263-S335 WeakPolarHBondContact OD2-CB 3.5Å; D263-S335 PolarHBondContact OD2-OG 2.89Å; D263-I336 HydrophobicContact CB-CD1 3.77Å; D263-Q337 PolarHBondContact O-N 2.85Å; D263-H338 PolarHBondContact O-N 2.9Å
264	V	94.1	Very high	90.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.7	-175.3	-170.9	0	0	0	0	110.3	V252 L255 V266 K319 V320 V321 H338 I340	V252-V264 HydrophobicContact CG2-CG1 4.26Å; L255-V264 HydrophobicContact CD1-CG1 4.29Å; L255-V264 HydrophobicContact CD1-CG2 4.1Å; V264-V266 HydrophobicContact CG1-CG2 3.94Å; V264-K319 PolarHBondContact N-O 3.25Å; V264-V320 HydrophobicContact CB-CG1 4.4Å; V264-V320 HydrophobicContact CB-CG2 4.3Å; V264-V320 HydrophobicContact CG2-CG2 4.43Å; V264-V320 WeakPolarHBondContact O-CA 3.35Å; V264-V321 PolarHBondContact O-N 2.91Å; V264-H338 CarbonylContact C-O 3.51Å; V264-H338 WeakPolarHBondContact CA-O 3.4Å; V264-H338 HydrophobicContact CB-CB 4.44Å; V264-H338 HydrophobicContact CG1-CB 4.24Å; V264-H338 HydrophobicContact CG2-CB 4.1Å; V264-I340 HydrophobicContact CG1-CD1 3.89Å; V264-I340 HydrophobicContact CG1-CG1 4.37Å
265	L	95.1	Very high	90.7	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.3	171.7	-173.6	61.2	0	0	0	109.6	Y267 V321 T323 A327 L333 I336 H338 V339 I340 R375	L265-Y267 HydrophobicContact CD2-CE2 3.6Å; L265-Y267 WeakPolarHBondContact CD2-OH 3.42Å; L265-Y267 HydrophobicContact CG-CD2 4.37Å; L265-Y267 HydrophobicContact CG-CE2 3.77Å; L265-V321 CarbonylContact C-O 3.1Å; L265-V321 WeakPolarHBondContact CA-O 3.28Å; L265-V321 HydrophobicContact CD1-CB 3.83Å; L265-V321 HydrophobicContact CD1-CG1 3.81Å; L265-T323 HydrophobicContact CD1-CG2 3.76Å; L265-T323 HydrophobicContact CG-CG2 4.47Å; L265-A327 HydrophobicContact CD1-CB 4.28Å; L265-A327 HydrophobicContact CD2-CB 4.37Å; L265-L333 HydrophobicContact CD1-CD1 4.19Å; L265-I336 HydrophobicContact CB-CD1 3.94Å; L265-I336 HydrophobicContact CB-CG1 4.29Å; L265-I336 HydrophobicContact CB-CG2 3.81Å; L265-H338 PolarHBondContact N-O 2.73Å; L265-V339 HydrophobicContact CB-CG2 4.42Å; L265-V339 CarbonylContact O-C 3.53Å; L265-V339 WeakPolarHBondContact O-CA 3.33Å; L265-I340 PolarHBondContact O-N 3.24Å; L265-R375 HydrophobicContact CD2-CB 4.34Å; L265-R375 HydrophobicContact CD2-CG 4.38Å
266	V	97.1	Very high	90.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.6	-176.2	-173.7	0	0	0	0	109.5	A248 V252 V264 L268 V320 V321 V322 T323 I340	A248-V266 HydrophobicContact CB-CG1 3.94Å; V252-V266 HydrophobicContact CG2-CG2 3.73Å; V264-V266 HydrophobicContact CG1-CG2 3.94Å; V266-L268 HydrophobicContact CG1-CG 4.31Å; V266-V320 HydrophobicContact CG2-CG1 4.22Å; V266-V321 PolarHBondContact N-O 3.45Å; V266-V322 HydrophobicContact CB-CG1 4.26Å; V266-V322 HydrophobicContact CB-CG2 4.32Å; V266-V322 HydrophobicContact CG1-CG1 4.39Å; V266-V322 HydrophobicContact CG2-CG2 4.49Å; V266-T323 PolarHBondContact O-N 2.79Å; V266-I340 CarbonylContact C-O 3.54Å; V266-I340 WeakPolarHBondContact CA-O 3.37Å; V266-I340 HydrophobicContact CG1-CB 4.28Å; V266-I340 HydrophobicContact CG1-CG2 4.3Å; V266-I340 HydrophobicContact CG2-CB 4.3Å; V266-I340 HydrophobicContact CG2-CD1 4.17Å
267	Y	97.1	Very high	91	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.8	176.8	-70.9	-90.2	0	0	0	111.5	L265 T323 H324 A327 D328 V339 I340 S342 R372	L265-Y267 HydrophobicContact CD2-CE2 3.6Å; L265-Y267 WeakPolarHBondContact CD2-OH 3.42Å; L265-Y267 HydrophobicContact CG-CD2 4.37Å; L265-Y267 HydrophobicContact CG-CE2 3.77Å; Y267-T323 CarbonylContact C-O 3.5Å; Y267-T323 VanDerWaalsContact CA-O 3.31Å; Y267-T323 WeakPolarHBondContact CA-O 3.18Å; Y267-T323 HydrophobicContact CD1-CG2 3.95Å; Y267-T323 HydrophobicContact CE1-CG2 3.99Å; Y267-T323 HydrophobicContact CG-CG2 4.45Å; Y267-H324 WeakPolarHBondContact CD1-O 3.4Å; Y267-A327 HydrophobicContact CE1-CB 3.9Å; Y267-A327 PolarHBondContact OH-O 2.88Å; Y267-D328 VanDerWaalsContact CE1-OD1 3.29Å; Y267-D328 WeakPolarHBondContact CE1-OD1 3.5Å; Y267-V339 HydrophobicContact CD2-CG1 4.09Å; Y267-V339 HydrophobicContact CE2-CG1 4.06Å; Y267-I340 PolarHBondContact N-O 3.1Å; Y267-S342 WeakPolarHBondContact O-CB 3.32Å; Y267-S342 PolarHBondContact O-N 3.28Å; Y267-S342 VanDerWaalsContact O-N 3.15Å; Y267-S342 PolarHBondContact O-OG 3.2Å; Y267-R372 HydrophobicContact CD1-CG 4.46Å; Y267-R372 VanDerWaalsContact CD1-CZ 3.49Å; Y267-R372 HydrophobicContact CD2-CG 4.2Å; Y267-R372 HydrophobicContact CE1-CG 4.02Å; Y267-R372 HydrophobicContact CE2-CB 4.03Å; Y267-R372 HydrophobicContact CE2-CG 3.74Å
268	L	97	Very high	91.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.204	C	C	.	.			trans	-118.3	149.6	172.3	-66.6	174.9	0	0	0	110.5	V245 A248 V266 S270 E273 I274 C277 V322 T323 H324	V245-L268 HydrophobicContact CG2-CD1 4.46Å; A248-L268 HydrophobicContact CB-CD2 4.21Å; V266-L268 HydrophobicContact CG1-CG 4.31Å; L268-S270 PolarHBondContact O-N 2.88Å; L268-E273 HydrophobicContact CB-CB 4.26Å; L268-E273 HydrophobicContact CD1-CB 4.33Å; L268-E273 WeakPolarHBondContact CD1-O 3.43Å; L268-I274 HydrophobicContact CB-CG1 4.19Å; L268-C277 HydrophobicContact CD1-CB 3.49Å; L268-C277 VanDerWaalsContact CD1-CB 3.49Å; L268-V322 HydrophobicContact CD1-CG1 3.83Å; L268-V322 HydrophobicContact CG-CG1 4.45Å; L268-T323 PolarHBondContact N-O 3.15Å; L268-H324 WeakPolarHBondContact O-CA 3.42Å; L268-H324 WeakPolarHBondContact O-CB 3.49Å
269	P	94	Very high	91.3	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.026	19%	0.191	C	C	.	.	S	Bend	trans	-70.7	-28.6	-172.1	26	-37.5	0	0	0	115.3	E273 L344 L346 L361	P269-E273 WeakPolarHBondContact CD-OE2 3.46Å; P269-E273 WeakPolarHBondContact CG-OE2 3.31Å; P269-L344 HydrophobicContact CB-CB 4.15Å; P269-L344 HydrophobicContact CG-CB 4.45Å; P269-L346 HydrophobicContact CB-CB 4.36Å; P269-L346 VanDerWaalsContact O-CB 3.22Å; P269-L346 WeakPolarHBondContact O-CB 3.23Å; P269-L346 PolarHBondContact O-N 2.95Å; P269-L361 HydrophobicContact CB-CD1 3.52Å; P269-L361 HydrophobicContact CG-CD1 3.96Å
270	S	90.3	Very high	91.7	Very high	17 Å²	17	33.7 Å²	33.7	12%	0.119	19%	0.191	C	C	.	.	S	Bend	trans	-135	158.1	-173.5	75.1	0	0	0	0	113.9	L268 E272 E273 I274	L268-S270 PolarHBondContact O-N 2.88Å; S270-E272 VanDerWaalsContact C-N 3.31Å; S270-E272 PolarHBondContact O-N 3.5Å; S270-E273 PolarHBondContact O-N 2.99Å; S270-E273 WeakPolarHBondContact OG-CG 3.3Å; S270-E273 PolarHBondContact OG-N 2.6Å; S270-I274 WeakPolarHBondContact O-CG1 3.17Å; S270-I274 PolarHBondContact O-N 3.21Å
271	E	86.4	Confident	92.2	Very high	67 Å²	67	32.9 Å²	32.9	31%	0.313	19%	0.185	S	C	.	.	H	α-helix	trans	-64.9	-33	177.2	-60.9	-176.6	143.2	0	0	113.1	I274 S275 H301	E271-I274 PolarHBondContact O-N 3.43Å; E271-S275 WeakPolarHBondContact O-CB 3.43Å; E271-S275 PolarHBondContact O-N 3.46Å; E271-S275 PolarHBondContact O-OG 3.43Å; E271-H301 HydrophobicContact CG-CB 4.11Å; E271-H301 IonicContact OE1-CE1 3.64Å; E271-H301 IonicContact OE1-CG 3.61Å; E271-H301 IonicContact OE1-ND1 3.53Å; E271-H301 PolarHBondContact OE1-ND1 2.88Å
272	E	86	Confident	92.4	Very high	155 Å²	155	31.6 Å²	31.6	72%	0.724	18%	0.178	S	C	*	.	H	α-helix	trans	-61	-47.4	172.2	-66.4	178.9	172.6	0	0	110.8	S270 S275 L276	S270-E272 VanDerWaalsContact C-N 3.31Å; S270-E272 PolarHBondContact O-N 3.5Å; E272-S275 PolarHBondContact O-N 3.44Å; E272-L276 WeakPolarHBondContact O-CB 3.47Å; E272-L276 VanDerWaalsContact O-CG 3.3Å; E272-L276 WeakPolarHBondContact O-CG 3.24Å; E272-L276 PolarHBondContact O-N 3.46Å
273	E	92.5	Very high	92.4	Very high	38 Å²	38	38 Å²	38	18%	0.178	19%	0.194	C	C	.	.	H	α-helix	trans	-66.9	-37.3	178	-71.9	-172.5	-177.7	0	0	111.6	R244 V245 L268 P269 S270 C277	R244-E273 IonicContact NH1-OE1 2.65Å; V245-E273 HydrophobicContact CG2-CB 3.77Å; V245-E273 HydrophobicContact CG2-CG 3.92Å; L268-E273 HydrophobicContact CB-CB 4.26Å; L268-E273 HydrophobicContact CD1-CB 4.33Å; L268-E273 WeakPolarHBondContact CD1-O 3.43Å; P269-E273 WeakPolarHBondContact CD-OE2 3.46Å; P269-E273 WeakPolarHBondContact CG-OE2 3.31Å; S270-E273 PolarHBondContact O-N 2.99Å; S270-E273 WeakPolarHBondContact OG-CG 3.3Å; S270-E273 PolarHBondContact OG-N 2.6Å; E273-C277 VanDerWaalsContact O-CB 3.24Å; E273-C277 WeakPolarHBondContact O-CB 3.42Å; E273-C277 PolarHBondContact O-N 3.02Å
274	I	92.6	Very high	92.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-50.9	172.7	-68.3	166.9	0	0	0	110.4	L268 S270 E271 L276 C277 C278 P299 H301 V322 H324	L268-I274 HydrophobicContact CB-CG1 4.19Å; S270-I274 WeakPolarHBondContact O-CG1 3.17Å; S270-I274 PolarHBondContact O-N 3.21Å; E271-I274 PolarHBondContact O-N 3.43Å; I274-L276 PolarHBondContact O-N 3.36Å; I274-C277 PolarHBondContact O-N 3.09Å; I274-C278 PolarHBondContact O-N 3.28Å; I274-C278 PolarHBondContact O-SG 2.97Å; I274-C278 VanDerWaalsContact O-SG 3.33Å; I274-P299 HydrophobicContact CG2-CB 3.99Å; I274-H301 HydrophobicContact CD1-CB 4.33Å; I274-V322 HydrophobicContact CB-CG1 4.29Å; I274-V322 HydrophobicContact CG1-CG1 4.19Å; I274-V322 HydrophobicContact CG2-CB 4.22Å; I274-V322 HydrophobicContact CG2-CG1 4.02Å; I274-H324 HydrophobicContact CD1-CB 4.01Å
275	S	89.1	Confident	91.9	Very high	63 Å²	63	41.6 Å²	41.6	44%	0.441	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-46.4	-178.3	-61.5	0	0	0	0	111.7	E271 E272 C277 C278 E279	E271-S275 WeakPolarHBondContact O-CB 3.43Å; E271-S275 PolarHBondContact O-N 3.46Å; E271-S275 PolarHBondContact O-OG 3.43Å; E272-S275 PolarHBondContact O-N 3.44Å; S275-C277 VanDerWaalsContact C-N 3.34Å; S275-C277 PolarHBondContact O-N 3.38Å; S275-C278 PolarHBondContact O-N 2.87Å; S275-E279 WeakPolarHBondContact O-CB 3.48Å; S275-E279 PolarHBondContact O-N 3.2Å
276	L	91.9	Very high	91.3	Very high	92 Å²	92	49.3 Å²	49.3	48%	0.482	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-39.5	176.9	-72.4	170.3	0	0	0	112.5	V245 E272 I274 S280	V245-L276 HydrophobicContact CG1-CB 4.25Å; E272-L276 WeakPolarHBondContact O-CB 3.47Å; E272-L276 VanDerWaalsContact O-CG 3.3Å; E272-L276 WeakPolarHBondContact O-CG 3.24Å; E272-L276 PolarHBondContact O-N 3.46Å; I274-L276 PolarHBondContact O-N 3.36Å; L276-S280 VanDerWaalsContact O-CB 3.3Å; L276-S280 WeakPolarHBondContact O-CB 3.47Å; L276-S280 PolarHBondContact O-N 3.23Å; L276-S280 PolarHBondContact O-OG 3.38Å
277	C	95.4	Very high	90.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-46.6	176.2	-172.4	0	0	0	0	111.1	V245 C249 L268 E273 I274 S275 E279 S280 L281 V322	V245-C277 HydrophobicContact CG1-CB 3.85Å; C249-C277 VanDerWaalsContact SG-SG 3.68Å; L268-C277 HydrophobicContact CD1-CB 3.49Å; L268-C277 VanDerWaalsContact CD1-CB 3.49Å; E273-C277 VanDerWaalsContact O-CB 3.24Å; E273-C277 WeakPolarHBondContact O-CB 3.42Å; E273-C277 PolarHBondContact O-N 3.02Å; I274-C277 PolarHBondContact O-N 3.09Å; S275-C277 VanDerWaalsContact C-N 3.34Å; S275-C277 PolarHBondContact O-N 3.38Å; C277-E279 PolarHBondContact O-N 2.98Å; C277-S280 PolarHBondContact O-N 3.27Å; C277-L281 VanDerWaalsContact O-CB 3.27Å; C277-L281 WeakPolarHBondContact O-CB 3.3Å; C277-L281 WeakPolarHBondContact O-CG 3.39Å; C277-L281 PolarHBondContact O-N 3.12Å; C277-V322 HydrophobicContact CB-CG1 4.13Å
278	C	93.1	Very high	89.6	Confident	15 Å²	15	55 Å²	55	10%	0.101	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-44.2	178	-70.9	0	0	0	0	112.2	I274 S275 S282 V297	I274-C278 PolarHBondContact O-N 3.28Å; I274-C278 PolarHBondContact O-SG 2.97Å; I274-C278 VanDerWaalsContact O-SG 3.33Å; S275-C278 PolarHBondContact O-N 2.87Å; C278-S282 WeakPolarHBondContact O-CB 3.37Å; C278-S282 PolarHBondContact O-N 2.91Å; C278-S282 PolarHBondContact O-OG 2.89Å; C278-V297 HydrophobicContact CB-CG1 4.02Å
279	E	91	Very high	88.4	Confident	81 Å²	81	61.1 Å²	61.1	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-63	-48.3	177.6	-173.5	-174.8	164.2	0	0	111.6	S275 C277 S282 R283	S275-E279 WeakPolarHBondContact O-CB 3.48Å; S275-E279 PolarHBondContact O-N 3.2Å; C277-E279 PolarHBondContact O-N 2.98Å; E279-S282 PolarHBondContact O-N 2.82Å; E279-R283 WeakPolarHBondContact O-CG 3.49Å; E279-R283 PolarHBondContact O-N 2.97Å; E279-R283 IonicContact OE1-CZ 3.3Å; E279-R283 IonicContact OE1-NH1 3.84Å; E279-R283 PolarHBondContact OE1-NH1 3.44Å; E279-R283 IonicContact OE1-NH2 3.09Å; E279-R283 PolarHBondContact OE1-NH2 2.77Å
280	S	92.9	Very high	87.4	Confident	40 Å²	40	63 Å²	63	28%	0.28	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-47.4	178.7	-60.2	0	0	0	0	111.6	L276 C277 S282 R283 E284	L276-S280 VanDerWaalsContact O-CB 3.3Å; L276-S280 WeakPolarHBondContact O-CB 3.47Å; L276-S280 PolarHBondContact O-N 3.23Å; L276-S280 PolarHBondContact O-OG 3.38Å; C277-S280 PolarHBondContact O-N 3.27Å; S280-S282 PolarHBondContact O-N 2.83Å; S280-R283 PolarHBondContact O-N 3.45Å; S280-E284 WeakPolarHBondContact O-CG 3.29Å; S280-E284 PolarHBondContact O-N 2.95Å; S280-E284 VanDerWaalsContact O-N 3.09Å
281	L	93.8	Very high	86.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-43.6	178.9	-79.2	174.6	0	0	0	112.3	C249 V252 L253 C277 R283 E284 V285 V297 V320 V322	C249-L281 HydrophobicContact CB-CD2 4.03Å; C249-L281 HydrophobicContact CB-CG 4.36Å; V252-L281 HydrophobicContact CB-CD1 4.45Å; V252-L281 HydrophobicContact CB-CD2 3.89Å; V252-L281 HydrophobicContact CG1-CD1 4.32Å; V252-L281 HydrophobicContact CG1-CD2 3.85Å; V252-L281 HydrophobicContact CG2-CD1 4.23Å; V252-L281 HydrophobicContact CG2-CD2 4.5Å; L253-L281 HydrophobicContact CD2-CD2 4.36Å; L253-L281 HydrophobicContact CG-CD2 4.19Å; C277-L281 VanDerWaalsContact O-CB 3.27Å; C277-L281 WeakPolarHBondContact O-CB 3.3Å; C277-L281 WeakPolarHBondContact O-CG 3.39Å; C277-L281 PolarHBondContact O-N 3.12Å; L281-R283 VanDerWaalsContact C-N 3.3Å; L281-R283 PolarHBondContact O-N 3.07Å; L281-E284 PolarHBondContact O-N 3.42Å; L281-V285 WeakPolarHBondContact O-CB 3.38Å; L281-V285 WeakPolarHBondContact O-CG2 3.49Å; L281-V285 PolarHBondContact O-N 2.98Å; L281-V297 HydrophobicContact CB-CG1 4.22Å; L281-V297 HydrophobicContact CB-CG2 3.89Å; L281-V297 HydrophobicContact CD1-CG1 4.3Å; L281-V320 HydrophobicContact CD1-CG1 4.13Å; L281-V322 HydrophobicContact CD1-CG2 4.34Å
282	S	91.3	Very high	85.6	Confident	49 Å²	49	74.5 Å²	74.5	34%	0.343	38%	0.379	S	S	.	.	H	α-helix	trans	-60.7	-41.7	-178.9	-58.7	0	0	0	0	111.3	C278 E279 S280 E286	C278-S282 WeakPolarHBondContact O-CB 3.37Å; C278-S282 PolarHBondContact O-N 2.91Å; C278-S282 PolarHBondContact O-OG 2.89Å; E279-S282 PolarHBondContact O-N 2.82Å; S280-S282 PolarHBondContact O-N 2.83Å; S282-E286 WeakPolarHBondContact O-CG 3.34Å; S282-E286 PolarHBondContact O-N 3.25Å
283	R	88.9	Confident	85.3	Confident	159 Å²	159	72.1 Å²	72.1	60%	0.6	37%	0.371	S	S	*	.	H	α-helix	trans	-64.2	-45	175.3	-72.1	178	175.2	141.5	6.7	113	E279 S280 L281	E279-R283 WeakPolarHBondContact O-CG 3.49Å; E279-R283 PolarHBondContact O-N 2.97Å; E279-R283 IonicContact OE1-CZ 3.3Å; E279-R283 IonicContact OE1-NH1 3.84Å; E279-R283 PolarHBondContact OE1-NH1 3.44Å; E279-R283 IonicContact OE1-NH2 3.09Å; E279-R283 PolarHBondContact OE1-NH2 2.77Å; S280-R283 PolarHBondContact O-N 3.45Å; L281-R283 VanDerWaalsContact C-N 3.3Å; L281-R283 PolarHBondContact O-N 3.07Å
284	E	88.8	Confident	84.8	Confident	85 Å²	85	73.9 Å²	73.9	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-75.2	-36.3	-175.1	-71.8	-167.4	-137.2	0	0	112.4	L253 S280 L281 E286 S287 L288	L253-E284 HydrophobicContact CD1-CB 4.21Å; L253-E284 WeakPolarHBondContact CD1-OE2 3.34Å; L253-E284 HydrophobicContact CD2-CB 3.95Å; S280-E284 WeakPolarHBondContact O-CG 3.29Å; S280-E284 PolarHBondContact O-N 2.95Å; S280-E284 VanDerWaalsContact O-N 3.09Å; L281-E284 PolarHBondContact O-N 3.42Å; E284-E286 VanDerWaalsContact C-N 3.35Å; E284-E286 PolarHBondContact O-N 2.92Å; E284-S287 PolarHBondContact O-N 2.93Å; E284-S287 VanDerWaalsContact O-N 3.13Å; E284-S287 PolarHBondContact O-OG 3.43Å; E284-L288 PolarHBondContact O-N 3.38Å
285	V	86.5	Confident	84.6	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.03	39%	0.39	C	S	.	.	H	α-helix	trans	-61.6	-41.1	178.7	162.2	0	0	0	0	112.1	L253 L281 S287 L288 P294 P295	L253-V285 HydrophobicContact CD2-CG2 4.23Å; L281-V285 WeakPolarHBondContact O-CB 3.38Å; L281-V285 WeakPolarHBondContact O-CG2 3.49Å; L281-V285 PolarHBondContact O-N 2.98Å; V285-S287 PolarHBondContact O-N 3.49Å; V285-L288 PolarHBondContact O-N 2.79Å; V285-P294 HydrophobicContact CG1-CB 3.83Å; V285-P295 HydrophobicContact CB-CG 4.33Å; V285-P295 VanDerWaalsContact CG1-CD 3.45Å; V285-P295 HydrophobicContact CG1-CG 3.54Å; V285-P295 HydrophobicContact CG2-CG 3.78Å
286	E	81.4	Confident	84.6	Confident	165 Å²	165	75.8 Å²	75.8	77%	0.771	39%	0.385	S	S	*	.	H	α-helix	trans	-60.6	-27.9	177	-73.9	177.3	-176.8	0	0	112.7	S282 E284	S282-E286 WeakPolarHBondContact O-CG 3.34Å; S282-E286 PolarHBondContact O-N 3.25Å; E284-E286 VanDerWaalsContact C-N 3.35Å; E284-E286 PolarHBondContact O-N 2.92Å
287	S	80.1	Confident	84.7	Confident	92 Å²	92	72.5 Å²	72.5	64%	0.643	37%	0.369	S	S	*	.	H	α-helix	trans	-88	-10.5	-178.8	76.6	0	0	0	0	114.3	E284 V285	E284-S287 PolarHBondContact O-N 2.93Å; E284-S287 VanDerWaalsContact O-N 3.13Å; E284-S287 PolarHBondContact O-OG 3.43Å; V285-S287 PolarHBondContact O-N 3.49Å
288	L	78	Confident	84.5	Confident	28 Å²	28	73.2 Å²	73.2	15%	0.147	37%	0.372	C	S	.	.	S	Bend	trans	-77.1	129.8	-177.1	-77.7	173.2	0	0	0	111.1	L253 C256 R257 E284 V285 L290	L253-L288 HydrophobicContact CD2-CD1 3.59Å; L253-L288 HydrophobicContact CD2-CG 4.43Å; C256-L288 HydrophobicContact CB-CD1 4.2Å; R257-L288 HydrophobicContact CG-CD2 4.09Å; E284-L288 PolarHBondContact O-N 3.38Å; V285-L288 PolarHBondContact O-N 2.79Å; L288-L290 VanDerWaalsContact C-N 3.28Å; L288-L290 HydrophobicContact CB-CD1 4.26Å; L288-L290 HydrophobicContact CB-CD2 4.21Å; L288-L290 HydrophobicContact CB-CG 3.85Å; L288-L290 PolarHBondContact O-N 2.97Å
289	P	73.1	Confident	84.4	Confident	128 Å²	128	74.8 Å²	74.8	83%	0.831	38%	0.382	S	S	*	.			trans	-75.7	82.4	171.5	31.5	-32.8	0	0	0	109.6
290	L	72.3	Confident	84.2	Confident	43 Å²	43	71 Å²	71	23%	0.225	36%	0.364	C	S	.	.			trans	-92.3	143.8	177.7	-61.7	174.3	0	0	0	110.8	C256 L288 R292	C256-L290 HydrophobicContact CB-CD2 4.43Å; L288-L290 VanDerWaalsContact C-N 3.28Å; L288-L290 HydrophobicContact CB-CD1 4.26Å; L288-L290 HydrophobicContact CB-CD2 4.21Å; L288-L290 HydrophobicContact CB-CG 3.85Å; L288-L290 PolarHBondContact O-N 2.97Å; L290-R292 VanDerWaalsContact C-N 3.33Å; L290-R292 WeakPolarHBondContact CB-O 3.42Å
291	Q	66.8	Low	83.7	Confident	176 Å²	176	70 Å²	70	82%	0.822	36%	0.355	S	S	*	.	S	Bend	trans	-79.1	-22.5	170.4	-57.9	-176.4	13.5	0	0	112	E259	E259-Q291 VanDerWaalsContact OE1-CB 3.31Å; E259-Q291 WeakPolarHBondContact OE1-CB 3.35Å; E259-Q291 WeakPolarHBondContact OE1-CG 3.13Å; E259-Q291 PolarHBondContact OE1-N 3.06Å
292	R	72.9	Confident	82.9	Confident	151 Å²	151	72.7 Å²	72.7	57%	0.57	37%	0.373	S	S	*	.	S	Bend	trans	-96	168.6	175.9	-66.9	-173.7	178.7	159.4	4.4	111.7	E259 L290	E259-R292 PolarHBondContact O-NH1 2.85Å; L290-R292 VanDerWaalsContact C-N 3.33Å; L290-R292 WeakPolarHBondContact CB-O 3.42Å
293	L	79.6	Confident	81.9	Confident	104 Å²	104	72.7 Å²	72.7	55%	0.545	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-54.2	141	169.8	-70	169.7	0	0	0	110.6	D316 A317	L293-D316 HydrophobicContact CD1-CB 3.88Å; L293-A317 HydrophobicContact CB-CB 3.91Å; L293-A317 HydrophobicContact CD1-CB 4.49Å
294	P	82.5	Confident	80.9	Confident	76 Å²	76	66 Å²	66	49%	0.494	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-61	137.7	178.9	25.5	-33.5	0	0	0	110.4	V285	V285-P294 HydrophobicContact CG1-CB 3.83Å
295	P	86.8	Confident	79.9	Confident	13 Å²	13	63.2 Å²	63.2	8%	0.084	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-60.1	141.4	178.5	19	-30.9	0	0	0	112.3	V285 R318 V320	V285-P295 HydrophobicContact CB-CG 4.33Å; V285-P295 VanDerWaalsContact CG1-CD 3.45Å; V285-P295 HydrophobicContact CG1-CG 3.54Å; V285-P295 HydrophobicContact CG2-CG 3.78Å; P295-R318 CarbonylContact C-O 3.58Å; P295-R318 WeakPolarHBondContact CA-O 3.07Å; P295-R318 HydrophobicContact CB-CB 4.19Å; P295-R318 WeakPolarHBondContact CB-O 3.34Å; P295-V320 HydrophobicContact CB-CG2 3.99Å
296	R	90.7	Very high	78.8	Confident	90 Å²	90	68.8 Å²	68.8	34%	0.34	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.5	174.2	-169.4	173.8	-177.8	-168.5	-3.3	108.9	L298 E313 M315 R318 V320	R296-L298 HydrophobicContact CG-CD2 3.96Å; R296-L298 HydrophobicContact CG-CG 4.23Å; R296-E313 IonicContact CZ-OE2 3.67Å; R296-E313 IonicContact NH1-OE2 2.81Å; R296-E313 PolarHBondContact NH1-OE2 2.87Å; R296-E313 IonicContact NH2-OE2 3.74Å; R296-M315 PolarHBondContact NH1-SD 2.88Å; R296-M315 VanDerWaalsContact NH1-SD 3.42Å; R296-R318 PolarHBondContact N-O 3.08Å; R296-V320 PolarHBondContact O-N 2.99Å
297	V	92.8	Very high	78.1	Confident	23 Å²	23	63.9 Å²	63.9	14%	0.139	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.2	178.6	-173.4	0	0	0	0	109.1	C278 L281 V320 V322	C278-V297 HydrophobicContact CB-CG1 4.02Å; L281-V297 HydrophobicContact CB-CG1 4.22Å; L281-V297 HydrophobicContact CB-CG2 3.89Å; L281-V297 HydrophobicContact CD1-CG1 4.3Å; V297-V320 WeakPolarHBondContact CA-O 3.19Å; V297-V320 HydrophobicContact CG2-CB 4.46Å; V297-V322 HydrophobicContact CG1-CG2 4.27Å
298	L	91.3	Very high	77.7	Confident	15 Å²	15	60 Å²	60	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	120.5	-173.1	-62.6	175	0	0	0	110.2	R296 A310 V311 K319 V320 V321 V322	R296-L298 HydrophobicContact CG-CD2 3.96Å; R296-L298 HydrophobicContact CG-CG 4.23Å; L298-A310 HydrophobicContact CD2-CB 4.26Å; L298-V311 HydrophobicContact CD1-CG2 4.4Å; L298-K319 HydrophobicContact CD1-CD 4.35Å; L298-K319 HydrophobicContact CD1-CG 4.48Å; L298-V320 PolarHBondContact N-O 3.05Å; L298-V321 CarbonylContact O-C 3.52Å; L298-V321 WeakPolarHBondContact O-CA 2.95Å; L298-V322 PolarHBondContact O-N 2.97Å
299	P	90.2	Very high	77.5	Confident	47 Å²	47	62.8 Å²	62.8	31%	0.305	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	146.3	169.3	31.6	-33.4	0	0	0	110.5	I274 C304 V322	I274-P299 HydrophobicContact CG2-CB 3.99Å; P299-C304 PolarHBondContact O-SG 2.75Å; P299-V322 CarbonylContact C-O 3.57Å; P299-V322 WeakPolarHBondContact CA-O 3.38Å
300	L	86.9	Confident	77.8	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	97.3	173.5	176.6	63.7	0	0	0	110	V308 V311 V321 V322 T323 L326 A327 F331	L300-V308 HydrophobicContact CD1-CB 4.41Å; L300-V308 HydrophobicContact CD1-CG1 3.77Å; L300-V308 HydrophobicContact CD1-CG2 4.06Å; L300-V311 HydrophobicContact CD1-CG2 4.5Å; L300-V321 HydrophobicContact CB-CG1 3.79Å; L300-V321 HydrophobicContact CD2-CG1 3.93Å; L300-V322 PolarHBondContact N-O 2.88Å; L300-T323 WeakPolarHBondContact O-CA 3.45Å; L300-T323 WeakPolarHBondContact O-CB 3.45Å; L300-T323 PolarHBondContact O-OG1 3.46Å; L300-L326 HydrophobicContact CD1-CD2 4Å; L300-L326 HydrophobicContact CG-CD2 4.09Å; L300-A327 HydrophobicContact CD2-CB 4.25Å; L300-F331 HydrophobicContact CD1-CE1 4.34Å
301	H	83.9	Confident	78.1	Confident	19 Å²	19	55.3 Å²	55.3	9%	0.088	29%	0.293	C	S	.	.	S	Bend	trans	-152.6	167	174.1	65.6	102.6	0	0	0	109.4	E271 I274 D303 C304 H324	E271-H301 HydrophobicContact CG-CB 4.11Å; E271-H301 IonicContact OE1-CE1 3.64Å; E271-H301 IonicContact OE1-CG 3.61Å; E271-H301 IonicContact OE1-ND1 3.53Å; E271-H301 PolarHBondContact OE1-ND1 2.88Å; I274-H301 HydrophobicContact CD1-CB 4.33Å; H301-D303 VanDerWaalsContact C-N 3.28Å; H301-D303 PolarHBondContact O-N 3.31Å; H301-D303 VanDerWaalsContact O-N 3.15Å; H301-C304 PolarHBondContact CD2-SG 3.08Å; H301-C304 VanDerWaalsContact O-CB 3.25Å; H301-C304 WeakPolarHBondContact O-CB 3.19Å; H301-C304 PolarHBondContact O-N 3.31Å; H301-C304 PolarHBondContact O-SG 2.91Å; H301-H324 VanDerWaalsContact CB-NE2 3.29Å; H301-H324 WeakPolarHBondContact CB-NE2 3.49Å
302	P	75.4	Confident	78.6	Confident	57 Å²	57	49.6 Å²	49.6	37%	0.37	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-51.3	-37.6	-173.3	-31.1	37.5	0	0	0	115.6	C304 H324 W325	P302-C304 PolarHBondContact O-N 2.95Å; P302-H324 VanDerWaalsContact CD-NE2 3.34Å; P302-H324 WeakPolarHBondContact CD-NE2 3.39Å; P302-W325 HydrophobicContact CG-CH2 4.48Å
303	D	70.4	Confident	79	Confident	50 Å²	50	46.4 Å²	46.4	27%	0.267	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-73.3	-7.2	-177.6	-60.2	-23	0	0	0	114.4	H301 G305 G502 N552	H301-D303 VanDerWaalsContact C-N 3.28Å; H301-D303 PolarHBondContact O-N 3.31Å; H301-D303 VanDerWaalsContact O-N 3.15Å; D303-G305 PolarHBondContact O-N 3.2Å; D303-G502 WeakPolarHBondContact OD1-CA 3.44Å; D303-N552 PolarHBondContact O-ND2 2.66Å
304	C	68.1	Low	78.8	Confident	18 Å²	18	49.2 Å²	49.2	12%	0.122	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.5	-17.2	177.6	-69.7	0	0	0	0	112.9	P299 H301 P302 Q306 A307 V308	P299-C304 PolarHBondContact O-SG 2.75Å; H301-C304 PolarHBondContact CD2-SG 3.08Å; H301-C304 VanDerWaalsContact O-CB 3.25Å; H301-C304 WeakPolarHBondContact O-CB 3.19Å; H301-C304 PolarHBondContact O-N 3.31Å; H301-C304 PolarHBondContact O-SG 2.91Å; P302-C304 PolarHBondContact O-N 2.95Å; C304-Q306 PolarHBondContact O-N 3.24Å; C304-A307 HydrophobicContact CB-CB 4.48Å; C304-A307 WeakPolarHBondContact O-CA 3.23Å; C304-A307 WeakPolarHBondContact O-CB 3.43Å; C304-A307 PolarHBondContact O-N 2.88Å; C304-V308 HydrophobicContact CB-CG2 3.6Å
305	G	67.3	Low	78.6	Confident	27 Å²	27	49.4 Å²	49.4	28%	0.278	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	51.9	-124.4	176.1	0	0	0	0	0	112.7	D303 A307 V308	D303-G305 PolarHBondContact O-N 3.2Å; G305-A307 VanDerWaalsContact C-N 3.26Å; G305-A307 PolarHBondContact O-N 3.06Å; G305-V308 WeakPolarHBondContact O-CG2 3.33Å; G305-V308 PolarHBondContact O-N 3.09Å
306	Q	64.8	Low	78.3	Confident	122 Å²	122	56.6 Å²	56.6	57%	0.57	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-70.1	-19.1	178.3	-63.6	-174.6	8.4	0	0	113.7	C304 V308 Q309	C304-Q306 PolarHBondContact O-N 3.24Å; Q306-V308 PolarHBondContact O-N 3.15Å; Q306-V308 VanDerWaalsContact O-N 3.16Å; Q306-Q309 WeakPolarHBondContact O-CB 3.45Å; Q306-Q309 PolarHBondContact O-N 2.97Å
307	A	66.7	Low	78	Confident	62 Å²	62	53 Å²	53	51%	0.512	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-65.9	-17.4	179.4	0	0	0	0	0	112.8	C304 G305 Q309 A310	C304-A307 HydrophobicContact CB-CB 4.48Å; C304-A307 WeakPolarHBondContact O-CA 3.23Å; C304-A307 WeakPolarHBondContact O-CB 3.43Å; C304-A307 PolarHBondContact O-N 2.88Å; G305-A307 VanDerWaalsContact C-N 3.26Å; G305-A307 PolarHBondContact O-N 3.06Å; A307-Q309 PolarHBondContact O-N 2.8Å; A307-A310 VanDerWaalsContact O-CB 3.26Å; A307-A310 WeakPolarHBondContact O-CB 3.11Å; A307-A310 PolarHBondContact O-N 3.11Å
308	V	71.1	Confident	77.8	Confident	10 Å²	10	53.6 Å²	53.6	6%	0.061	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-56.8	-31.6	171.4	176.7	0	0	0	0	111.5	L106 L300 C304 G305 Q306 A310 V311 F331	L106-V308 HydrophobicContact CD1-CG2 4.07Å; L106-V308 HydrophobicContact CD2-CG2 4.4Å; L300-V308 HydrophobicContact CD1-CB 4.41Å; L300-V308 HydrophobicContact CD1-CG1 3.77Å; L300-V308 HydrophobicContact CD1-CG2 4.06Å; C304-V308 HydrophobicContact CB-CG2 3.6Å; G305-V308 WeakPolarHBondContact O-CG2 3.33Å; G305-V308 PolarHBondContact O-N 3.09Å; Q306-V308 PolarHBondContact O-N 3.15Å; Q306-V308 VanDerWaalsContact O-N 3.16Å; V308-A310 PolarHBondContact O-N 3.03Å; V308-V311 WeakPolarHBondContact O-CB 3.43Å; V308-V311 WeakPolarHBondContact O-CG2 3.09Å; V308-V311 PolarHBondContact O-N 3.15Å; V308-V311 VanDerWaalsContact O-N 3.13Å; V308-F331 HydrophobicContact CG1-CE1 4.19Å
309	Q	74.1	Confident	77.8	Confident	86 Å²	86	53.5 Å²	53.5	40%	0.402	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-62.3	-29	178.6	-166	65	30.3	0	0	112.3	Q306 A307 V311 Y312 E313	Q306-Q309 WeakPolarHBondContact O-CB 3.45Å; Q306-Q309 PolarHBondContact O-N 2.97Å; A307-Q309 PolarHBondContact O-N 2.8Å; Q309-V311 PolarHBondContact O-N 3.32Å; Q309-V311 VanDerWaalsContact O-N 3.13Å; Q309-Y312 WeakPolarHBondContact O-CB 3.32Å; Q309-Y312 PolarHBondContact O-N 2.89Å; Q309-E313 PolarHBondContact O-N 2.84Å
310	A	78.9	Confident	78	Confident	11 Å²	11	51.3 Å²	51.3	9%	0.091	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.6	-21.6	178.7	0	0	0	0	0	112.9	L298 A307 V308 Y312 E313	L298-A310 HydrophobicContact CD2-CB 4.26Å; A307-A310 VanDerWaalsContact O-CB 3.26Å; A307-A310 WeakPolarHBondContact O-CB 3.11Å; A307-A310 PolarHBondContact O-N 3.11Å; V308-A310 PolarHBondContact O-N 3.03Å; A310-Y312 PolarHBondContact O-N 3.42Å; A310-E313 PolarHBondContact O-N 3.09Å
311	V	78.8	Confident	78.3	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.018	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-67.3	-30.4	175.1	-176.3	0	0	0	0	111.3	L298 L300 V308 Q309 K319 V321 L333	L298-V311 HydrophobicContact CD1-CG2 4.4Å; L300-V311 HydrophobicContact CD1-CG2 4.5Å; V308-V311 WeakPolarHBondContact O-CB 3.43Å; V308-V311 WeakPolarHBondContact O-CG2 3.09Å; V308-V311 PolarHBondContact O-N 3.15Å; V308-V311 VanDerWaalsContact O-N 3.13Å; Q309-V311 PolarHBondContact O-N 3.32Å; Q309-V311 VanDerWaalsContact O-N 3.13Å; V311-K319 PolarHBondContact O-NZ 2.99Å; V311-V321 HydrophobicContact CG1-CG1 4.37Å; V311-V321 HydrophobicContact CG1-CG2 3.85Å; V311-L333 HydrophobicContact CG1-CD1 4.32Å; V311-L333 HydrophobicContact CG1-CD2 3.28Å; V311-L333 HydrophobicContact CG1-CG 4.44Å
312	Y	77.3	Confident	78.9	Confident	56 Å²	56	50.4 Å²	50.4	22%	0.22	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8.1	180	-63.8	-73.2	0	0	0	114.1	S110 Q309 A310 D314 F331 S332 L333	S110-Y312 WeakPolarHBondContact OG-CE2 3.21Å; S110-Y312 PolarHBondContact OG-OH 2.87Å; Q309-Y312 WeakPolarHBondContact O-CB 3.32Å; Q309-Y312 PolarHBondContact O-N 2.89Å; A310-Y312 PolarHBondContact O-N 3.42Å; Y312-D314 PolarHBondContact O-N 3.41Å; Y312-F331 WeakPolarHBondContact OH-CD1 3.46Å; Y312-S332 VanDerWaalsContact CE1-O 3.24Å; Y312-S332 WeakPolarHBondContact CE1-O 3.37Å; Y312-L333 HydrophobicContact CE1-CD2 4.24Å
313	E	81	Confident	79.7	Confident	84 Å²	84	47.7 Å²	47.7	39%	0.393	26%	0.257	S	S	.	.	S	Bend	trans	-65.4	134.1	175.8	-69.5	173.3	178.2	0	0	110.5	R296 Q309 A310 M315 K319	R296-E313 IonicContact CZ-OE2 3.67Å; R296-E313 IonicContact NH1-OE2 2.81Å; R296-E313 PolarHBondContact NH1-OE2 2.87Å; R296-E313 IonicContact NH2-OE2 3.74Å; Q309-E313 PolarHBondContact O-N 2.84Å; A310-E313 PolarHBondContact O-N 3.09Å; E313-M315 HydrophobicContact CB-CG 4.24Å; E313-M315 HydrophobicContact CB-SD 4.16Å; E313-M315 PolarHBondContact O-N 3.22Å; E313-K319 PolarHBondContact O-NZ 3.41Å
314	D	76.1	Confident	80.7	Confident	164 Å²	164	45.6 Å²	45.6	88%	0.877	25%	0.246	S	C	*	.			trans	-74	118.7	168.5	-76.6	-30.3	0	0	0	108.6	Y312	Y312-D314 PolarHBondContact O-N 3.41Å
315	M	78.3	Confident	81.6	Confident	79 Å²	79	47 Å²	47	39%	0.389	25%	0.249	S	C	.	.			trans	-127.9	138.5	-175.4	-60.9	-65.2	-62.6	0	0	109.5	R296 E313 A317 K319	R296-M315 PolarHBondContact NH1-SD 2.88Å; R296-M315 VanDerWaalsContact NH1-SD 3.42Å; E313-M315 HydrophobicContact CB-CG 4.24Å; E313-M315 HydrophobicContact CB-SD 4.16Å; E313-M315 PolarHBondContact O-N 3.22Å; M315-A317 PolarHBondContact O-N 3.12Å; M315-K319 HydrophobicContact CG-CD 4.4Å
316	D	79.8	Confident	82.4	Confident	165 Å²	165	45.8 Å²	45.8	88%	0.882	24%	0.236	S	C	*	.	S	Bend	trans	-68.6	-23.8	173.3	-68.2	-30.2	0	0	0	112.4	L293	L293-D316 HydrophobicContact CD1-CB 3.88Å
317	A	84.6	Confident	83.3	Confident	15 Å²	15	40 Å²	40	12%	0.124	21%	0.209	C	C	.	.	S	Bend	trans	-87.1	144.6	176.4	0	0	0	0	0	111.2	L293 M315 K319	L293-A317 HydrophobicContact CB-CB 3.91Å; L293-A317 HydrophobicContact CD1-CB 4.49Å; M315-A317 PolarHBondContact O-N 3.12Å; A317-K319 PolarHBondContact O-N 3.16Å
318	R	88.9	Confident	84.1	Confident	34 Å²	34	37.6 Å²	37.6	13%	0.128	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-56.6	134.1	173.8	177.6	-168.2	-77.8	176	3.1	110.4	L255 C256 A260 G262 P295 R296	L255-R318 PolarHBondContact O-NH1 2.83Å; L255-R318 VanDerWaalsContact O-NH1 3.15Å; L255-R318 PolarHBondContact O-NH2 2.81Å; C256-R318 VanDerWaalsContact CA-NH1 3.35Å; C256-R318 PolarHBondContact SG-NH1 3.33Å; A260-R318 VanDerWaalsContact C-NH2 3.33Å; A260-R318 PolarHBondContact O-NH2 3Å; G262-R318 WeakPolarHBondContact O-CG 3.34Å; G262-R318 PolarHBondContact O-NE 3.4Å; G262-R318 VanDerWaalsContact O-NE 3.14Å; P295-R318 CarbonylContact C-O 3.58Å; P295-R318 WeakPolarHBondContact CA-O 3.07Å; P295-R318 HydrophobicContact CB-CB 4.19Å; P295-R318 WeakPolarHBondContact CB-O 3.34Å; R296-R318 PolarHBondContact N-O 3.08Å
319	K	91.7	Very high	84.2	Confident	14 Å²	14	37.1 Å²	37.1	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.5	172.1	-61.1	-178.3	-74.8	-171.6	0	110.9	D263 V264 L298 V311 E313 M315 A317	D263-K319 WeakPolarHBondContact CA-O 3.02Å; D263-K319 HydrophobicContact CB-CB 4.23Å; D263-K319 WeakPolarHBondContact CB-O 3.36Å; D263-K319 PolarHBondContact OD1-N 3.48Å; D263-K319 WeakPolarHBondContact OD2-CE 3.48Å; V264-K319 PolarHBondContact N-O 3.25Å; L298-K319 HydrophobicContact CD1-CD 4.35Å; L298-K319 HydrophobicContact CD1-CG 4.48Å; V311-K319 PolarHBondContact O-NZ 2.99Å; E313-K319 PolarHBondContact O-NZ 3.41Å; M315-K319 HydrophobicContact CG-CD 4.4Å; A317-K319 PolarHBondContact O-N 3.16Å
320	V	94.1	Very high	83.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	101.7	169.2	-179.4	0	0	0	0	107.4	V252 V264 V266 L281 P295 R296 V297 L298 V322	V252-V320 HydrophobicContact CG1-CG1 3.98Å; V252-V320 HydrophobicContact CG1-CG2 3.91Å; V252-V320 HydrophobicContact CG2-CG1 4.15Å; V264-V320 HydrophobicContact CB-CG1 4.4Å; V264-V320 HydrophobicContact CB-CG2 4.3Å; V264-V320 HydrophobicContact CG2-CG2 4.43Å; V264-V320 WeakPolarHBondContact O-CA 3.35Å; V266-V320 HydrophobicContact CG2-CG1 4.22Å; L281-V320 HydrophobicContact CD1-CG1 4.13Å; P295-V320 HydrophobicContact CB-CG2 3.99Å; R296-V320 PolarHBondContact O-N 2.99Å; V297-V320 WeakPolarHBondContact CA-O 3.19Å; V297-V320 HydrophobicContact CG2-CB 4.46Å; L298-V320 PolarHBondContact N-O 3.05Å; V320-V322 HydrophobicContact CG1-CG2 4.25Å
321	V	93.8	Very high	83.6	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.4	-179.9	-176.3	0	0	0	0	108.4	V264 L265 V266 L298 L300 V311	V264-V321 PolarHBondContact O-N 2.91Å; L265-V321 CarbonylContact C-O 3.1Å; L265-V321 WeakPolarHBondContact CA-O 3.28Å; L265-V321 HydrophobicContact CD1-CB 3.83Å; L265-V321 HydrophobicContact CD1-CG1 3.81Å; V266-V321 PolarHBondContact N-O 3.45Å; L298-V321 CarbonylContact O-C 3.52Å; L298-V321 WeakPolarHBondContact O-CA 2.95Å; L300-V321 HydrophobicContact CB-CG1 3.79Å; L300-V321 HydrophobicContact CD2-CG1 3.93Å; V311-V321 HydrophobicContact CG1-CG1 4.37Å; V311-V321 HydrophobicContact CG1-CG2 3.85Å
322	V	95.4	Very high	83.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.5	178.4	-169.2	0	0	0	0	108.6	V266 L268 I274 C277 L281 V297 L298 P299 L300 V320	V266-V322 HydrophobicContact CB-CG1 4.26Å; V266-V322 HydrophobicContact CB-CG2 4.32Å; V266-V322 HydrophobicContact CG1-CG1 4.39Å; V266-V322 HydrophobicContact CG2-CG2 4.49Å; L268-V322 HydrophobicContact CD1-CG1 3.83Å; L268-V322 HydrophobicContact CG-CG1 4.45Å; I274-V322 HydrophobicContact CB-CG1 4.29Å; I274-V322 HydrophobicContact CG1-CG1 4.19Å; I274-V322 HydrophobicContact CG2-CB 4.22Å; I274-V322 HydrophobicContact CG2-CG1 4.02Å; C277-V322 HydrophobicContact CB-CG1 4.13Å; L281-V322 HydrophobicContact CD1-CG2 4.34Å; V297-V322 HydrophobicContact CG1-CG2 4.27Å; L298-V322 PolarHBondContact O-N 2.97Å; P299-V322 CarbonylContact C-O 3.57Å; P299-V322 WeakPolarHBondContact CA-O 3.38Å; L300-V322 PolarHBondContact N-O 2.88Å; V320-V322 HydrophobicContact CG1-CG2 4.25Å
323	T	93.4	Very high	83.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	172.4	-168	-165.9	0	0	0	0	111.9	L265 V266 Y267 L268 L300 A327	L265-T323 HydrophobicContact CD1-CG2 3.76Å; L265-T323 HydrophobicContact CG-CG2 4.47Å; V266-T323 PolarHBondContact O-N 2.79Å; Y267-T323 CarbonylContact C-O 3.5Å; Y267-T323 VanDerWaalsContact CA-O 3.31Å; Y267-T323 WeakPolarHBondContact CA-O 3.18Å; Y267-T323 HydrophobicContact CD1-CG2 3.95Å; Y267-T323 HydrophobicContact CE1-CG2 3.99Å; Y267-T323 HydrophobicContact CG-CG2 4.45Å; L268-T323 PolarHBondContact N-O 3.15Å; L300-T323 WeakPolarHBondContact O-CA 3.45Å; L300-T323 WeakPolarHBondContact O-CB 3.45Å; L300-T323 PolarHBondContact O-OG1 3.46Å; T323-A327 HydrophobicContact CG2-CB 3.46Å; T323-A327 VanDerWaalsContact CG2-CB 3.46Å
324	H	90.7	Very high	83.1	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.028	20%	0.196	C	C	.	.	S	Bend	trans	-111.8	-149.1	168.5	58.7	73.3	0	0	0	109.6	Y267 L268 I274 H301 P302 L326 A327	Y267-H324 WeakPolarHBondContact CD1-O 3.4Å; L268-H324 WeakPolarHBondContact O-CA 3.42Å; L268-H324 WeakPolarHBondContact O-CB 3.49Å; I274-H324 HydrophobicContact CD1-CB 4.01Å; H301-H324 VanDerWaalsContact CB-NE2 3.29Å; H301-H324 WeakPolarHBondContact CB-NE2 3.49Å; P302-H324 VanDerWaalsContact CD-NE2 3.34Å; P302-H324 WeakPolarHBondContact CD-NE2 3.39Å; H324-L326 PolarHBondContact ND1-N 3.22Å; H324-L326 VanDerWaalsContact ND1-N 3.16Å; H324-L326 PolarHBondContact O-N 3.04Å; H324-A327 PolarHBondContact O-N 3.44Å
325	W	87.1	Confident	83.5	Confident	47 Å²	47	30 Å²	30	18%	0.178	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-49.9	-14.6	172.6	53.6	-102.6	0	0	0	115.1	Y104 P302 A327 D328 F329 R347	Y104-W325 HydrophobicContact CD1-CH2 4.27Å; Y104-W325 AromaticContact CD1-CZ3 3.89Å; Y104-W325 HydrophobicContact CD1-CZ3 3.89Å; Y104-W325 HydrophobicContact CE1-CE3 4.28Å; Y104-W325 AromaticContact CE1-CH2 3.53Å; Y104-W325 HydrophobicContact CE1-CH2 3.53Å; Y104-W325 AromaticContact CE1-CZ3 3.21Å; Y104-W325 HydrophobicContact CE1-CZ3 3.21Å; Y104-W325 HydrophobicContact CE2-CZ3 4.21Å; Y104-W325 AromaticContact CZ-CZ3 3.38Å; Y104-W325 WeakPolarHBondContact OH-CZ3 3.4Å; P302-W325 HydrophobicContact CG-CH2 4.48Å; W325-A327 VanDerWaalsContact C-N 3.3Å; W325-A327 PolarHBondContact O-N 3.43Å; W325-D328 VanDerWaalsContact O-CB 3.29Å; W325-D328 WeakPolarHBondContact O-CB 3.22Å; W325-D328 PolarHBondContact O-N 3.23Å; W325-F329 HydrophobicContact CD2-CZ 4.44Å; W325-F329 AromaticContact CE3-CE2 3.35Å; W325-F329 HydrophobicContact CE3-CE2 3.35Å; W325-F329 AromaticContact CE3-CZ 3.35Å; W325-F329 HydrophobicContact CE3-CZ 3.35Å; W325-F329 AromaticContact CZ3-CE2 3.53Å; W325-F329 HydrophobicContact CZ3-CE2 3.53Å; W325-F329 AromaticContact CZ3-CZ 3.8Å; W325-F329 HydrophobicContact CZ3-CZ 3.8Å; W325-F329 WeakPolarHBondContact O-CE2 3.38Å; W325-F329 VanDerWaalsContact O-CZ 3.28Å; W325-F329 WeakPolarHBondContact O-CZ 3.17Å; W325-R347 VanDerWaalsContact CG-CZ 3.49Å
326	L	84.2	Confident	83.9	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.01	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-60.1	-37.7	-178.8	-170.6	63.7	0	0	0	112.8	L106 L300 H324 D328 F329 F331	L106-L326 HydrophobicContact CD1-CD2 4.2Å; L300-L326 HydrophobicContact CD1-CD2 4Å; L300-L326 HydrophobicContact CG-CD2 4.09Å; H324-L326 PolarHBondContact ND1-N 3.22Å; H324-L326 VanDerWaalsContact ND1-N 3.16Å; H324-L326 PolarHBondContact O-N 3.04Å; L326-D328 PolarHBondContact O-N 2.84Å; L326-F329 HydrophobicContact CD1-CD2 4.02Å; L326-F329 HydrophobicContact CD1-CE2 3.94Å; L326-F329 WeakPolarHBondContact O-CD2 3.47Å; L326-F331 HydrophobicContact CD1-CE2 3.93Å; L326-F331 HydrophobicContact CD1-CZ 4Å; L326-F331 HydrophobicContact CD2-CZ 4.25Å; L326-F331 HydrophobicContact CG-CE2 3.77Å; L326-F331 HydrophobicContact CG-CZ 3.85Å; L326-F331 VanDerWaalsContact O-CD2 3.23Å; L326-F331 WeakPolarHBondContact O-CD2 3.46Å; L326-F331 WeakPolarHBondContact O-CE2 3.33Å
327	A	83.9	Confident	84.5	Confident	1 Å²	1	21 Å²	21	1%	0.008	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-81.4	1.4	177.8	0	0	0	0	0	114.1	L265 Y267 L300 T323 H324 W325 F329 R375	L265-A327 HydrophobicContact CD1-CB 4.28Å; L265-A327 HydrophobicContact CD2-CB 4.37Å; Y267-A327 HydrophobicContact CE1-CB 3.9Å; Y267-A327 PolarHBondContact OH-O 2.88Å; L300-A327 HydrophobicContact CD2-CB 4.25Å; T323-A327 HydrophobicContact CG2-CB 3.46Å; T323-A327 VanDerWaalsContact CG2-CB 3.46Å; H324-A327 PolarHBondContact O-N 3.44Å; W325-A327 VanDerWaalsContact C-N 3.3Å; W325-A327 PolarHBondContact O-N 3.43Å; A327-F329 PolarHBondContact O-N 2.95Å; A327-R375 PolarHBondContact O-NH2 3.35Å
328	D	81.9	Confident	84.9	Confident	11 Å²	11	21.1 Å²	21.1	6%	0.059	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-66.9	-28.1	171	-67.9	-24.9	0	0	0	110.2	Y267 W325 L326 R372 R375	Y267-D328 VanDerWaalsContact CE1-OD1 3.29Å; Y267-D328 WeakPolarHBondContact CE1-OD1 3.5Å; W325-D328 VanDerWaalsContact O-CB 3.29Å; W325-D328 WeakPolarHBondContact O-CB 3.22Å; W325-D328 PolarHBondContact O-N 3.23Å; L326-D328 PolarHBondContact O-N 2.84Å; D328-R372 WeakPolarHBondContact OD1-CG 3.45Å; D328-R372 IonicContact OD1-CZ 2.8Å; D328-R372 IonicContact OD1-NE 3.86Å; D328-R372 PolarHBondContact OD1-NE 3.27Å; D328-R372 IonicContact OD1-NH2 3.77Å; D328-R372 IonicContact OD2-CZ 3.01Å; D328-R372 IonicContact OD2-NE 2.62Å; D328-R372 IonicContact OD2-NH2 2.67Å; D328-R372 PolarHBondContact OD2-NH2 2.83Å; D328-R375 PolarHBondContact O-NH2 2.95Å
329	F	74.8	Confident	85.2	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-82.8	-179.6	-178.6	-37.1	-52.4	0	0	0	114	Y104 E174 W325 L326 A327 F331 R375	Y104-F329 HydrophobicContact CD1-CE2 4.36Å; Y104-F329 HydrophobicContact CD2-CD1 4.05Å; Y104-F329 AromaticContact CD2-CD2 3.34Å; Y104-F329 HydrophobicContact CD2-CD2 3.34Å; Y104-F329 AromaticContact CD2-CE1 3.92Å; Y104-F329 HydrophobicContact CD2-CE1 3.92Å; Y104-F329 AromaticContact CD2-CE2 3.18Å; Y104-F329 HydrophobicContact CD2-CE2 3.18Å; Y104-F329 AromaticContact CD2-CG 3.8Å; Y104-F329 HydrophobicContact CD2-CG 3.8Å; Y104-F329 AromaticContact CD2-CZ 3.53Å; Y104-F329 HydrophobicContact CD2-CZ 3.53Å; Y104-F329 HydrophobicContact CE1-CE2 4.23Å; Y104-F329 HydrophobicContact CE1-CZ 4.38Å; Y104-F329 AromaticContact CE2-CD1 3.88Å; Y104-F329 HydrophobicContact CE2-CD1 3.88Å; Y104-F329 AromaticContact CE2-CD2 3.68Å; Y104-F329 HydrophobicContact CE2-CD2 3.68Å; Y104-F329 AromaticContact CE2-CE1 3.3Å; Y104-F329 HydrophobicContact CE2-CE1 3.3Å; Y104-F329 AromaticContact CE2-CE2 3.06Å; Y104-F329 HydrophobicContact CE2-CE2 3.06Å; Y104-F329 HydrophobicContact CE2-CG 4.07Å; Y104-F329 AromaticContact CE2-CZ 2.88Å; Y104-F329 HydrophobicContact CE2-CZ 2.88Å; Y104-F329 HydrophobicContact CG-CD2 4.07Å; Y104-F329 AromaticContact CG-CE2 3.87Å; Y104-F329 HydrophobicContact CG-CE2 3.87Å; Y104-F329 AromaticContact CZ-CE2 3.59Å; Y104-F329 AromaticContact CZ-CZ 3.35Å; Y104-F329 WeakPolarHBondContact OH-CZ 3.34Å; E174-F329 HydrophobicContact CB-CE1 4.43Å; E174-F329 VanDerWaalsContact CD-CD1 3.43Å; E174-F329 HydrophobicContact CG-CD1 3.56Å; E174-F329 HydrophobicContact CG-CE1 3.65Å; E174-F329 VanDerWaalsContact OE2-CE1 3.24Å; E174-F329 WeakPolarHBondContact OE2-CE1 3.49Å; W325-F329 HydrophobicContact CD2-CZ 4.44Å; W325-F329 AromaticContact CE3-CE2 3.35Å; W325-F329 HydrophobicContact CE3-CE2 3.35Å; W325-F329 AromaticContact CE3-CZ 3.35Å; W325-F329 HydrophobicContact CE3-CZ 3.35Å; W325-F329 AromaticContact CZ3-CE2 3.53Å; W325-F329 HydrophobicContact CZ3-CE2 3.53Å; W325-F329 AromaticContact CZ3-CZ 3.8Å; W325-F329 HydrophobicContact CZ3-CZ 3.8Å; W325-F329 WeakPolarHBondContact O-CE2 3.38Å; W325-F329 VanDerWaalsContact O-CZ 3.28Å; W325-F329 WeakPolarHBondContact O-CZ 3.17Å; L326-F329 HydrophobicContact CD1-CD2 4.02Å; L326-F329 HydrophobicContact CD1-CE2 3.94Å; L326-F329 WeakPolarHBondContact O-CD2 3.47Å; A327-F329 PolarHBondContact O-N 2.95Å; F329-F331 HydrophobicContact CB-CD2 4.38Å; F329-F331 HydrophobicContact CB-CE2 4.4Å; F329-F331 HydrophobicContact CD2-CE2 4.28Å; F329-F331 PolarHBondContact O-N 3.14Å; F329-R375 PolarHBondContact O-NH2 2.88Å
330	S	65.9	Low	85.5	Confident	17 Å²	17	18.9 Å²	18.9	12%	0.119	11%	0.11	C	C	.	.	S	Bend	trans	-64.6	52	-178.7	-79.1	0	0	0	0	116.9	S77 E171	S77-S330 VanDerWaalsContact CB-OG 3.31Å; S77-S330 WeakPolarHBondContact CB-OG 3.5Å; S77-S330 PolarHBondContact OG-OG 2.61Å; E171-S330 VanDerWaalsContact CD-OG 3.3Å; E171-S330 VanDerWaalsContact OE1-CB 3.3Å; E171-S330 WeakPolarHBondContact OE1-CB 3.17Å; E171-S330 PolarHBondContact OE1-N 3.41Å; E171-S330 PolarHBondContact OE1-OG 3.14Å
331	F	74.6	Confident	85.7	Confident	4 Å²	4	18.9 Å²	18.9	2%	0.018	11%	0.11	C	C	.	.			trans	-82.3	125.9	159.3	-67.4	-93.3	0	0	0	109.2	L106 L300 V308 Y312 L326 F329 L333 R375	L106-F331 HydrophobicContact CB-CE1 4.34Å; L106-F331 HydrophobicContact CB-CZ 3.99Å; L300-F331 HydrophobicContact CD1-CE1 4.34Å; V308-F331 HydrophobicContact CG1-CE1 4.19Å; Y312-F331 WeakPolarHBondContact OH-CD1 3.46Å; L326-F331 HydrophobicContact CD1-CE2 3.93Å; L326-F331 HydrophobicContact CD1-CZ 4Å; L326-F331 HydrophobicContact CD2-CZ 4.25Å; L326-F331 HydrophobicContact CG-CE2 3.77Å; L326-F331 HydrophobicContact CG-CZ 3.85Å; L326-F331 VanDerWaalsContact O-CD2 3.23Å; L326-F331 WeakPolarHBondContact O-CD2 3.46Å; L326-F331 WeakPolarHBondContact O-CE2 3.33Å; F329-F331 HydrophobicContact CB-CD2 4.38Å; F329-F331 HydrophobicContact CB-CE2 4.4Å; F329-F331 HydrophobicContact CD2-CE2 4.28Å; F329-F331 PolarHBondContact O-N 3.14Å; F331-L333 HydrophobicContact CB-CG 4.4Å; F331-L333 PolarHBondContact O-N 2.97Å; F331-R375 PolarHBondContact O-NH1 3.14Å
332	S	70.4	Confident	85.8	Confident	49 Å²	49	19 Å²	19	34%	0.343	11%	0.111	S	C	.	.			trans	-90.2	93.9	180	179.3	0	0	0	0	110.3	Y312 P334	Y312-S332 VanDerWaalsContact CE1-O 3.24Å; Y312-S332 WeakPolarHBondContact CE1-O 3.37Å; S332-P334 VanDerWaalsContact C-CD 3.4Å; S332-P334 WeakPolarHBondContact O-CD 3.29Å
333	L	79.8	Confident	85.8	Confident	25 Å²	25	19.1 Å²	19.1	13%	0.131	11%	0.112	C	C	.	.			trans	-112.3	72.7	179.3	-53.7	-178.5	0	0	0	110.9	L265 V311 Y312 F331 S335 I336	L265-L333 HydrophobicContact CD1-CD1 4.19Å; V311-L333 HydrophobicContact CG1-CD1 4.32Å; V311-L333 HydrophobicContact CG1-CD2 3.28Å; V311-L333 HydrophobicContact CG1-CG 4.44Å; Y312-L333 HydrophobicContact CE1-CD2 4.24Å; F331-L333 HydrophobicContact CB-CG 4.4Å; F331-L333 PolarHBondContact O-N 2.97Å; L333-S335 PolarHBondContact O-N 3.47Å; L333-I336 HydrophobicContact CB-CD1 4.44Å; L333-I336 HydrophobicContact CB-CG1 3.55Å; L333-I336 HydrophobicContact CD1-CG1 4.27Å; L333-I336 WeakPolarHBondContact O-CG1 3.11Å; L333-I336 PolarHBondContact O-N 3.35Å
334	P	74.8	Confident	85.9	Confident	116 Å²	116	20 Å²	20	75%	0.753	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.7	-170.8	28.2	-36	0	0	0	113.6	S332 I336	S332-P334 VanDerWaalsContact C-CD 3.4Å; S332-P334 WeakPolarHBondContact O-CD 3.29Å; P334-I336 VanDerWaalsContact C-N 3.34Å
335	S	84.6	Confident	86.1	Confident	44 Å²	44	20 Å²	20	31%	0.308	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.3	-178.6	57.8	0	0	0	0	114.3	D263 L333 Q337	D263-S335 WeakPolarHBondContact CB-O 3.47Å; D263-S335 PolarHBondContact N-O 3.23Å; D263-S335 WeakPolarHBondContact OD2-CB 3.5Å; D263-S335 PolarHBondContact OD2-OG 2.89Å; L333-S335 PolarHBondContact O-N 3.47Å; S335-Q337 PolarHBondContact O-N 3.11Å
336	I	88.6	Confident	86.3	Confident	5 Å²	5	20 Å²	20	3%	0.026	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	121.4	-179.3	-61.1	-60.4	0	0	0	110.3	D263 L265 L333 P334 V339	D263-I336 HydrophobicContact CB-CD1 3.77Å; L265-I336 HydrophobicContact CB-CD1 3.94Å; L265-I336 HydrophobicContact CB-CG1 4.29Å; L265-I336 HydrophobicContact CB-CG2 3.81Å; L333-I336 HydrophobicContact CB-CD1 4.44Å; L333-I336 HydrophobicContact CB-CG1 3.55Å; L333-I336 HydrophobicContact CD1-CG1 4.27Å; L333-I336 WeakPolarHBondContact O-CG1 3.11Å; L333-I336 PolarHBondContact O-N 3.35Å; P334-I336 VanDerWaalsContact C-N 3.34Å; I336-V339 HydrophobicContact CG2-CG2 4.16Å
337	Q	91.1	Very high	86.5	Confident	48 Å²	48	20.8 Å²	20.8	22%	0.224	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-15.1	172.5	-64.7	-176	10.1	0	0	112.2	P261 D263 S335 G382 S383	P261-Q337 PolarHBondContact O-OE1 3.07Å; D263-Q337 PolarHBondContact O-N 2.85Å; S335-Q337 PolarHBondContact O-N 3.11Å; Q337-G382 CarbonylContact O-C 3.38Å; Q337-G382 WeakPolarHBondContact O-CA 3.3Å; Q337-S383 PolarHBondContact O-N 2.77Å
338	H	93.9	Very high	86.6	Confident	18 Å²	18	22 Å²	22	8%	0.083	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.6	-179	-58.8	-67.7	0	0	0	110.4	L255 A260 P261 D263 V264 L265 S383	L255-H338 HydrophobicContact CD1-CB 3.75Å; A260-H338 WeakPolarHBondContact CB-NE2 3.4Å; P261-H338 PolarHBondContact O-NE2 3.38Å; D263-H338 PolarHBondContact O-N 2.9Å; V264-H338 CarbonylContact C-O 3.51Å; V264-H338 WeakPolarHBondContact CA-O 3.4Å; V264-H338 HydrophobicContact CB-CB 4.44Å; V264-H338 HydrophobicContact CG1-CB 4.24Å; V264-H338 HydrophobicContact CG2-CB 4.1Å; L265-H338 PolarHBondContact N-O 2.73Å; H338-S383 WeakPolarHBondContact CA-O 3.45Å; H338-S383 PolarHBondContact ND1-OG 2.81Å
339	V	95.6	Very high	87.1	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.2	174.2	173.3	0	0	0	0	108.5	L265 Y267 I336 R375 A376 S383 C384 L385	L265-V339 HydrophobicContact CB-CG2 4.42Å; L265-V339 CarbonylContact O-C 3.53Å; L265-V339 WeakPolarHBondContact O-CA 3.33Å; Y267-V339 HydrophobicContact CD2-CG1 4.09Å; Y267-V339 HydrophobicContact CE2-CG1 4.06Å; I336-V339 HydrophobicContact CG2-CG2 4.16Å; V339-R375 HydrophobicContact CG2-CB 3.96Å; V339-A376 HydrophobicContact CG2-CB 3.92Å; V339-S383 PolarHBondContact N-O 3.41Å; V339-C384 CarbonylContact O-C 3.58Å; V339-C384 WeakPolarHBondContact O-CA 3.27Å; V339-L385 PolarHBondContact O-N 3.43Å
340	I	97.4	Very high	87.9	Confident	1 Å²	1	24 Å²	24	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.6	170.8	-62.6	166.9	0	0	0	106.7	A248 A251 V252 L255 V264 L265 V266 Y267 L385 L387	A248-I340 HydrophobicContact CB-CG2 4.47Å; A251-I340 HydrophobicContact CB-CD1 3.67Å; A251-I340 HydrophobicContact CB-CG1 4.29Å; A251-I340 HydrophobicContact CB-CG2 4.44Å; V252-I340 HydrophobicContact CB-CD1 4.44Å; V252-I340 HydrophobicContact CG2-CD1 3.53Å; L255-I340 HydrophobicContact CD1-CD1 4.27Å; V264-I340 HydrophobicContact CG1-CD1 3.89Å; V264-I340 HydrophobicContact CG1-CG1 4.37Å; L265-I340 PolarHBondContact O-N 3.24Å; V266-I340 CarbonylContact C-O 3.54Å; V266-I340 WeakPolarHBondContact CA-O 3.37Å; V266-I340 HydrophobicContact CG1-CB 4.28Å; V266-I340 HydrophobicContact CG1-CG2 4.3Å; V266-I340 HydrophobicContact CG2-CB 4.3Å; V266-I340 HydrophobicContact CG2-CD1 4.17Å; Y267-I340 PolarHBondContact N-O 3.1Å; I340-L385 CarbonylContact C-O 3.54Å; I340-L385 WeakPolarHBondContact CA-O 3.24Å; I340-L385 HydrophobicContact CG1-CB 4.4Å; I340-L387 HydrophobicContact CG2-CD1 3.84Å; I340-L387 HydrophobicContact CG2-CD2 4.06Å; I340-L387 HydrophobicContact CG2-CG 3.93Å
341	D	97.3	Very high	89	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.5	-173.5	179.8	30.1	0	0	0	111.2	G343 I364 R372 L385 L387 Y388	D341-G343 VanDerWaalsContact C-N 3.26Å; D341-G343 PolarHBondContact OD1-N 3.26Å; D341-I364 WeakPolarHBondContact OD2-CD1 3.35Å; D341-R372 IonicContact OD1-CZ 2.69Å; D341-R372 IonicContact OD1-NH1 3.83Å; D341-R372 PolarHBondContact OD1-NH1 3.44Å; D341-L385 PolarHBondContact N-O 3.39Å; D341-L387 PolarHBondContact O-N 2.94Å; D341-Y388 HydrophobicContact CB-CE1 4.35Å; D341-Y388 VanDerWaalsContact O-CE1 3.31Å; D341-Y388 WeakPolarHBondContact O-CE1 3.44Å; D341-Y388 WeakPolarHBondContact OD2-CE1 3.43Å; D341-Y388 PolarHBondContact OD2-OH 2.67Å
342	S	96.8	Very high	89.7	Confident	5 Å²	5	26.7 Å²	26.7	4%	0.035	16%	0.156	C	C	.	.			trans	-72.9	-18.1	173.2	60.8	0	0	0	0	113.5	Y267 L344 Y388	Y267-S342 WeakPolarHBondContact O-CB 3.32Å; Y267-S342 PolarHBondContact O-N 3.28Å; Y267-S342 VanDerWaalsContact O-N 3.15Å; Y267-S342 PolarHBondContact O-OG 3.2Å; S342-L344 PolarHBondContact O-N 3.43Å; S342-Y388 WeakPolarHBondContact O-CD1 3.38Å
343	G	95.7	Very high	90.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.174	C	C	.	.			trans	74.3	10	178	0	0	0	0	0	114.5	D341 P363 I364 Y388	D341-G343 VanDerWaalsContact C-N 3.26Å; D341-G343 PolarHBondContact OD1-N 3.26Å; G343-P363 WeakPolarHBondContact O-CA 3.48Å; G343-I364 PolarHBondContact O-N 3.23Å; G343-Y388 VanDerWaalsContact N-CE1 3.32Å
344	L	95.4	Very high	90.5	Very high	19 Å²	19	33.3 Å²	33.3	10%	0.099	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156.9	-178.4	-63.4	173.1	0	0	0	111.2	P269 S342 L361 R362 F392	P269-L344 HydrophobicContact CB-CB 4.15Å; P269-L344 HydrophobicContact CG-CB 4.45Å; S342-L344 PolarHBondContact O-N 3.43Å; L344-L361 HydrophobicContact CB-CD1 4.08Å; L344-L361 HydrophobicContact CD1-CD1 4.35Å; L344-L361 HydrophobicContact CD1-CD2 4.35Å; L344-L361 HydrophobicContact CD1-CG 4.43Å; L344-R362 CarbonylContact C-O 3.15Å; L344-R362 VanDerWaalsContact CA-O 3.28Å; L344-R362 WeakPolarHBondContact CA-O 3.45Å; L344-R362 WeakPolarHBondContact CD2-O 3.46Å; L344-F392 HydrophobicContact CD2-CE1 4.43Å; L344-F392 HydrophobicContact CD2-CZ 3.74Å
345	E	93.6	Very high	91.1	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.023	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.9	167	56.3	169.9	-160	0	0	110.1	R347 L361 R362 I364 Q368	E345-R347 HydrophobicContact CB-CG 4.46Å; E345-R347 HydrophobicContact CG-CG 4.09Å; E345-R347 IonicContact OE1-NE 2.74Å; E345-R347 IonicContact OE2-CZ 2.95Å; E345-R347 IonicContact OE2-NE 3.52Å; E345-R347 PolarHBondContact OE2-NE 3.31Å; E345-R347 IonicContact OE2-NH2 2.75Å; E345-R347 PolarHBondContact OE2-NH2 2.93Å; E345-L361 WeakPolarHBondContact O-CA 3.26Å; E345-R362 HydrophobicContact CG-CG 3.91Å; E345-R362 PolarHBondContact N-O 3.24Å; E345-R362 PolarHBondContact O-N 2.77Å; E345-R362 IonicContact OE1-CZ 3.94Å; E345-R362 IonicContact OE1-NE 3.53Å; E345-R362 PolarHBondContact OE1-NE 2.85Å; E345-R362 IonicContact OE1-NH2 2.89Å; E345-R362 PolarHBondContact OE1-NH2 3.33Å; E345-I364 HydrophobicContact CB-CG2 4.11Å; E345-I364 HydrophobicContact CG-CG2 4.13Å; E345-Q368 PolarHBondContact OE2-NE2 2.87Å
346	L	91.8	Very high	91.1	Very high	48 Å²	48	28 Å²	28	25%	0.251	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.3	165.5	-171.3	67.4	0	0	0	108.2	P269 Q359 L361	P269-L346 HydrophobicContact CB-CB 4.36Å; P269-L346 VanDerWaalsContact O-CB 3.22Å; P269-L346 WeakPolarHBondContact O-CB 3.23Å; P269-L346 PolarHBondContact O-N 2.95Å; L346-Q359 HydrophobicContact CD1-CB 4.13Å; L346-L361 HydrophobicContact CB-CD1 4.42Å; L346-L361 HydrophobicContact CD1-CB 4Å; L346-L361 HydrophobicContact CD1-CD1 4.46Å
347	R	88.4	Confident	91	Very high	19 Å²	19	32 Å²	32	7%	0.072	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.7	179.8	-66.4	-65.4	-171.3	164.2	5.3	111	W325 E345 V360	W325-R347 VanDerWaalsContact CG-CZ 3.49Å; E345-R347 HydrophobicContact CB-CG 4.46Å; E345-R347 HydrophobicContact CG-CG 4.09Å; E345-R347 IonicContact OE1-NE 2.74Å; E345-R347 IonicContact OE2-CZ 2.95Å; E345-R347 IonicContact OE2-NE 3.52Å; E345-R347 PolarHBondContact OE2-NE 3.31Å; E345-R347 IonicContact OE2-NH2 2.75Å; E345-R347 PolarHBondContact OE2-NH2 2.93Å; R347-V360 PolarHBondContact N-O 3.23Å; R347-V360 PolarHBondContact O-N 3.25Å
348	S	87.3	Confident	90.8	Very high	27 Å²	27	32 Å²	32	19%	0.189	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.4	165.8	-161.1	0	0	0	0	109.5	E357 F358 R404	S348-E357 WeakPolarHBondContact OG-CB 3.45Å; S348-E357 PolarHBondContact OG-OE2 3.47Å; S348-F358 CarbonylContact C-O 3.45Å; S348-F358 VanDerWaalsContact CA-O 3.32Å; S348-F358 WeakPolarHBondContact CA-O 3.5Å; S348-R404 PolarHBondContact O-NH1 2.97Å
349	V	91.6	Very high	90.5	Very high	30 Å²	30	34.7 Å²	34.7	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.5	177.7	-178.5	0	0	0	0	109.1	F358 V360 E407	V349-F358 PolarHBondContact N-O 3.26Å; V349-F358 PolarHBondContact O-N 3.07Å; V349-V360 HydrophobicContact CB-CG2 4.2Å; V349-V360 HydrophobicContact CG2-CB 4.26Å; V349-V360 HydrophobicContact CG2-CG2 3.9Å; V349-E407 CarbonylContact C-O 3.47Å; V349-E407 WeakPolarHBondContact CA-O 3.48Å; V349-E407 HydrophobicContact CG1-CB 4.23Å; V349-E407 HydrophobicContact CG1-CG 4.4Å; V349-E407 HydrophobicContact CG2-CB 4.44Å
350	Y	91.7	Very high	90.2	Very high	21 Å²	21	37.3 Å²	37.3	8%	0.082	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.3	178.7	-175.6	-105.2	0	0	0	111.4	P352 R355 E357 E407 N409 Q441	Y350-P352 HydrophobicContact CE1-CB 4.13Å; Y350-R355 WeakPolarHBondContact OH-CA 3.46Å; Y350-E357 HydrophobicContact CD2-CG 4.27Å; Y350-E407 PolarHBondContact N-O 2.93Å; Y350-N409 HydrophobicContact CD1-CB 4.12Å; Y350-N409 HydrophobicContact CD2-CB 3.82Å; Y350-N409 HydrophobicContact CE1-CB 4.23Å; Y350-N409 HydrophobicContact CE2-CB 3.93Å; Y350-N409 HydrophobicContact CG-CB 3.91Å; Y350-Q441 PolarHBondContact OH-NE2 3.4Å; Y350-Q441 VanDerWaalsContact OH-NE2 3.08Å; Y350-Q441 PolarHBondContact OH-OE1 3.38Å
351	N	89.2	Confident	90	Very high	50 Å²	50	41.1 Å²	41.1	27%	0.267	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.3	172.5	-171.9	-28.7	0	0	0	110.2	R353 I354 R355 A356 F358	N351-R353 PolarHBondContact O-N 3.1Å; N351-R353 WeakPolarHBondContact OD1-CB 3.44Å; N351-R353 PolarHBondContact OD1-N 3.2Å; N351-I354 HydrophobicContact CB-CG1 3.95Å; N351-I354 PolarHBondContact O-N 2.95Å; N351-R355 WeakPolarHBondContact O-CA 3.45Å; N351-R355 PolarHBondContact O-N 3.01Å; N351-A356 PolarHBondContact N-O 3.06Å; N351-A356 PolarHBondContact O-N 3.4Å; N351-F358 HydrophobicContact CB-CD2 3.84Å; N351-F358 HydrophobicContact CB-CE2 3.24Å; N351-F358 HydrophobicContact CB-CZ 4.12Å
352	P	88.7	Confident	89.8	Confident	29 Å²	29	43.2 Å²	43.2	19%	0.188	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.1	-176.9	25.8	-33.8	0	0	0	113	Y350 I354 A438 Q441	Y350-P352 HydrophobicContact CE1-CB 4.13Å; P352-I354 VanDerWaalsContact C-N 3.3Å; P352-I354 PolarHBondContact O-N 3.27Å; P352-A438 HydrophobicContact CG-CB 4.39Å; P352-Q441 HydrophobicContact CB-CB 3.88Å; P352-Q441 HydrophobicContact CB-CG 4.09Å
353	R	84.6	Confident	89.7	Confident	193 Å²	193	44.2 Å²	44.2	73%	0.728	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.4	-177.2	-64.4	-174.9	178.1	175.1	0.8	113.6	N351 H618	N351-R353 PolarHBondContact O-N 3.1Å; N351-R353 WeakPolarHBondContact OD1-CB 3.44Å; N351-R353 PolarHBondContact OD1-N 3.2Å; R353-H618 PolarHBondContact O-CE1 3.48Å; R353-H618 VanDerWaalsContact O-CE1 3.31Å; R353-H618 PolarHBondContact O-ND1 3.42Å; R353-H618 VanDerWaalsContact O-ND1 3.14Å
354	I	83.1	Confident	89.7	Confident	19 Å²	19	44.2 Å²	44.2	10%	0.097	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	3.2	-177.9	68.4	156.3	0	0	0	112.6	N351 P352 A356 F358 H618 H620 I650	N351-I354 HydrophobicContact CB-CG1 3.95Å; N351-I354 PolarHBondContact O-N 2.95Å; P352-I354 VanDerWaalsContact C-N 3.3Å; P352-I354 PolarHBondContact O-N 3.27Å; I354-A356 VanDerWaalsContact C-N 3.29Å; I354-A356 HydrophobicContact CD1-CB 3.78Å; I354-A356 HydrophobicContact CG1-CB 3.92Å; I354-A356 PolarHBondContact O-N 3.07Å; I354-F358 HydrophobicContact CD1-CE1 4.49Å; I354-F358 HydrophobicContact CD1-CE2 3.55Å; I354-F358 HydrophobicContact CD1-CZ 3.34Å; I354-F358 HydrophobicContact CG1-CE2 3.99Å; I354-F358 HydrophobicContact CG1-CZ 4.14Å; I354-H618 HydrophobicContact CB-CB 4.26Å; I354-H618 HydrophobicContact CG2-CB 4.33Å; I354-H618 PolarHBondContact O-CD2 2.83Å; I354-H620 WeakPolarHBondContact CG2-NE2 3.38Å; I354-I650 HydrophobicContact CD1-CD1 3.24Å
355	R	85.8	Confident	89.8	Confident	43 Å²	43	43.4 Å²	43.4	16%	0.162	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	44.6	179	-52.3	-172.4	-176.1	177.1	14	113.4	Y350 N351 Q441 E444 D445	Y350-R355 WeakPolarHBondContact OH-CA 3.46Å; N351-R355 WeakPolarHBondContact O-CA 3.45Å; N351-R355 PolarHBondContact O-N 3.01Å; R355-Q441 HydrophobicContact CG-CG 4.3Å; R355-E444 IonicContact CZ-OE2 2.73Å; R355-E444 IonicContact NH2-OE1 3.47Å; R355-E444 PolarHBondContact NH2-OE1 3.01Å; R355-E444 IonicContact NH2-OE2 3.36Å; R355-E444 PolarHBondContact NH2-OE2 3.11Å; R355-D445 IonicContact CZ-OD1 3.14Å; R355-D445 VanDerWaalsContact CZ-OD1 3.29Å; R355-D445 IonicContact NE-OD1 2.64Å; R355-D445 IonicContact NH1-OD1 2.89Å; R355-D445 PolarHBondContact NH1-OD1 3.34Å
356	A	85.4	Confident	89.8	Confident	5 Å²	5	47.4 Å²	47.4	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.2	-172.5	0	0	0	0	0	113.1	N351 I354 F648 I650	N351-A356 PolarHBondContact N-O 3.06Å; N351-A356 PolarHBondContact O-N 3.4Å; I354-A356 VanDerWaalsContact C-N 3.29Å; I354-A356 HydrophobicContact CD1-CB 3.78Å; I354-A356 HydrophobicContact CG1-CB 3.92Å; I354-A356 PolarHBondContact O-N 3.07Å; A356-F648 HydrophobicContact CB-CD1 3.45Å; A356-F648 VanDerWaalsContact CB-CD1 3.45Å; A356-F648 HydrophobicContact CB-CE1 3.79Å; A356-I650 HydrophobicContact CB-CD1 4.41Å
357	E	86.4	Confident	89.9	Confident	89 Å²	89	45.9 Å²	45.9	42%	0.416	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	140.2	177.1	-72.1	-172.2	-162.6	0	0	112.3	S348 Y350 I650	S348-E357 WeakPolarHBondContact OG-CB 3.45Å; S348-E357 PolarHBondContact OG-OE2 3.47Å; Y350-E357 HydrophobicContact CD2-CG 4.27Å; E357-I650 PolarHBondContact O-N 2.7Å
358	F	86.5	Confident	90.1	Very high	50 Å²	50	45.5 Å²	45.5	22%	0.219	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.1	178.9	-68.7	-104.7	0	0	0	109.8	S348 V349 N351 I354 V360 I650	S348-F358 CarbonylContact C-O 3.45Å; S348-F358 VanDerWaalsContact CA-O 3.32Å; S348-F358 WeakPolarHBondContact CA-O 3.5Å; V349-F358 PolarHBondContact N-O 3.26Å; V349-F358 PolarHBondContact O-N 3.07Å; N351-F358 HydrophobicContact CB-CD2 3.84Å; N351-F358 HydrophobicContact CB-CE2 3.24Å; N351-F358 HydrophobicContact CB-CZ 4.12Å; I354-F358 HydrophobicContact CD1-CE1 4.49Å; I354-F358 HydrophobicContact CD1-CE2 3.55Å; I354-F358 HydrophobicContact CD1-CZ 3.34Å; I354-F358 HydrophobicContact CG1-CE2 3.99Å; I354-F358 HydrophobicContact CG1-CZ 4.14Å; F358-V360 HydrophobicContact CB-CG2 4.16Å; F358-V360 PolarHBondContact O-N 3Å; F358-I650 HydrophobicContact CD1-CB 3.63Å; F358-I650 HydrophobicContact CD1-CD1 4.07Å; F358-I650 HydrophobicContact CD1-CG1 4.47Å; F358-I650 HydrophobicContact CD1-CG2 3.53Å; F358-I650 HydrophobicContact CD2-CD1 4.47Å; F358-I650 HydrophobicContact CE1-CB 3.79Å; F358-I650 HydrophobicContact CE1-CD1 3.41Å; F358-I650 VanDerWaalsContact CE1-CD1 3.41Å; F358-I650 HydrophobicContact CE1-CG1 4.2Å; F358-I650 HydrophobicContact CE1-CG2 3.54Å; F358-I650 HydrophobicContact CE2-CD1 3.79Å; F358-I650 HydrophobicContact CG-CB 4.2Å; F358-I650 HydrophobicContact CZ-CB 4.42Å; F358-I650 HydrophobicContact CZ-CD1 3.27Å; F358-I650 HydrophobicContact CZ-CG1 4.43Å
359	Q	87.3	Confident	90.4	Very high	73 Å²	73	44.7 Å²	44.7	34%	0.341	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	109	170.2	-68	-64.9	-28.8	0	0	109.3	L346 T649 I650	L346-Q359 HydrophobicContact CD1-CB 4.13Å; Q359-T649 HydrophobicContact CG-CG2 3.62Å; Q359-I650 PolarHBondContact N-O 3.38Å
360	V	89.9	Confident	90.5	Very high	55 Å²	55	45.9 Å²	45.9	33%	0.333	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.2	-177.3	-176.2	0	0	0	0	109.3	R347 V349 F358 R362	R347-V360 PolarHBondContact N-O 3.23Å; R347-V360 PolarHBondContact O-N 3.25Å; V349-V360 HydrophobicContact CB-CG2 4.2Å; V349-V360 HydrophobicContact CG2-CB 4.26Å; V349-V360 HydrophobicContact CG2-CG2 3.9Å; F358-V360 HydrophobicContact CB-CG2 4.16Å; F358-V360 PolarHBondContact O-N 3Å; V360-R362 HydrophobicContact CG1-CB 4.45Å
361	L	92.6	Very high	90.4	Very high	81 Å²	81	45.6 Å²	45.6	42%	0.424	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.6	169.3	-176.4	68.4	0	0	0	108.8	P269 L344 E345 L346	P269-L361 HydrophobicContact CB-CD1 3.52Å; P269-L361 HydrophobicContact CG-CD1 3.96Å; L344-L361 HydrophobicContact CB-CD1 4.08Å; L344-L361 HydrophobicContact CD1-CD1 4.35Å; L344-L361 HydrophobicContact CD1-CD2 4.35Å; L344-L361 HydrophobicContact CD1-CG 4.43Å; E345-L361 WeakPolarHBondContact O-CA 3.26Å; L346-L361 HydrophobicContact CB-CD1 4.42Å; L346-L361 HydrophobicContact CD1-CB 4Å; L346-L361 HydrophobicContact CD1-CD1 4.46Å
362	R	93.8	Very high	90.6	Very high	46 Å²	46	43.3 Å²	43.3	17%	0.174	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163.2	-176.1	65.9	178.2	-179.8	-158.6	-2.4	113.2	L344 E345 V360 E407	L344-R362 CarbonylContact C-O 3.15Å; L344-R362 VanDerWaalsContact CA-O 3.28Å; L344-R362 WeakPolarHBondContact CA-O 3.45Å; L344-R362 WeakPolarHBondContact CD2-O 3.46Å; E345-R362 HydrophobicContact CG-CG 3.91Å; E345-R362 PolarHBondContact N-O 3.24Å; E345-R362 PolarHBondContact O-N 2.77Å; E345-R362 IonicContact OE1-CZ 3.94Å; E345-R362 IonicContact OE1-NE 3.53Å; E345-R362 PolarHBondContact OE1-NE 2.85Å; E345-R362 IonicContact OE1-NH2 2.89Å; E345-R362 PolarHBondContact OE1-NH2 3.33Å; V360-R362 HydrophobicContact CG1-CB 4.45Å; R362-E407 IonicContact CZ-OE1 3.85Å; R362-E407 IonicContact CZ-OE2 3.06Å; R362-E407 IonicContact NH1-OE1 3.25Å; R362-E407 PolarHBondContact NH1-OE1 3.48Å; R362-E407 IonicContact NH1-OE2 3.18Å; R362-E407 IonicContact NH2-OE1 3.46Å; R362-E407 PolarHBondContact NH2-OE1 2.86Å; R362-E407 IonicContact NH2-OE2 3.16Å; R362-E407 PolarHBondContact NH2-OE2 3.41Å
363	P	95.9	Very high	90.7	Very high	26 Å²	26	44 Å²	44	17%	0.169	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	141.5	168.8	-18.5	30	0	0	0	112	G343 F392 E396 A397	G343-P363 WeakPolarHBondContact O-CA 3.48Å; P363-F392 HydrophobicContact CB-CE1 3.96Å; P363-F392 HydrophobicContact CB-CZ 3.75Å; P363-F392 HydrophobicContact CG-CE1 4.32Å; P363-F392 HydrophobicContact CG-CE2 4.14Å; P363-F392 HydrophobicContact CG-CZ 3.62Å; P363-E396 HydrophobicContact CG-CB 3.98Å; P363-A397 HydrophobicContact CB-CB 4.46Å
364	I	95.8	Very high	90.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-67.2	160.8	166.1	66.3	178.8	0	0	0	110.5	D341 G343 E345 Q368 A369 A397	D341-I364 WeakPolarHBondContact OD2-CD1 3.35Å; G343-I364 PolarHBondContact O-N 3.23Å; E345-I364 HydrophobicContact CB-CG2 4.11Å; E345-I364 HydrophobicContact CG-CG2 4.13Å; I364-Q368 HydrophobicContact CB-CB 4.18Å; I364-Q368 HydrophobicContact CD1-CB 4.4Å; I364-A369 HydrophobicContact CD1-CB 3.86Å; I364-A369 HydrophobicContact CG1-CB 4.35Å; I364-A397 WeakPolarHBondContact O-CB 3.4Å
365	S	95.5	Very high	91.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-71.8	160.3	174	66	0	0	0	0	113	C367 Q368 A369 P398 L400	S365-C367 VanDerWaalsContact C-N 3.29Å; S365-C367 PolarHBondContact O-N 3.12Å; S365-C367 PolarHBondContact OG-SG 2.97Å; S365-Q368 PolarHBondContact O-N 3.46Å; S365-Q368 WeakPolarHBondContact OG-CB 3.5Å; S365-Q368 VanDerWaalsContact OG-CG 3.25Å; S365-Q368 WeakPolarHBondContact OG-CG 3.3Å; S365-Q368 PolarHBondContact OG-N 3.12Å; S365-Q368 PolarHBondContact OG-OE1 2.79Å; S365-A369 PolarHBondContact O-N 3.03Å; S365-P398 CarbonylContact C-O 3.52Å; S365-P398 WeakPolarHBondContact CA-O 3.33Å; S365-P398 WeakPolarHBondContact CB-O 3.45Å; S365-L400 VanDerWaalsContact CB-C 3.41Å
366	K	95	Very high	91.2	Very high	90 Å²	90	34.1 Å²	34.1	39%	0.391	17%	0.167	S	C	.	.	H	α-helix	trans	-60.9	-37.6	175.8	-67.4	177.7	177	172.8	0	111.9	E370 L393 E394 A397 P398	K366-E370 PolarHBondContact O-N 2.77Å; K366-E370 VanDerWaalsContact O-N 3.12Å; K366-L393 WeakPolarHBondContact CE-O 3.01Å; K366-L393 HydrophobicContact CG-CD1 4.35Å; K366-L393 HydrophobicContact CG-CG 4.46Å; K366-E394 PolarHBondContact NZ-O 2.89Å; K366-A397 WeakPolarHBondContact CE-O 3.4Å; K366-A397 HydrophobicContact CG-CB 4.04Å; K366-P398 PolarHBondContact N-O 3.17Å
367	C	92.5	Very high	90.8	Very high	16 Å²	16	36.7 Å²	36.7	11%	0.108	18%	0.175	C	C	.	.	H	α-helix	trans	-70.7	-37.3	176.2	68	0	0	0	0	112.3	A207 S365 E370 A371 P399 L400 P401	A207-C367 HydrophobicContact CB-CB 3.73Å; S365-C367 VanDerWaalsContact C-N 3.29Å; S365-C367 PolarHBondContact O-N 3.12Å; S365-C367 PolarHBondContact OG-SG 2.97Å; C367-E370 PolarHBondContact O-N 3.43Å; C367-A371 WeakPolarHBondContact O-CB 3.4Å; C367-A371 PolarHBondContact O-N 3.12Å; C367-P399 PolarHBondContact N-O 2.83Å; C367-L400 HydrophobicContact CB-CD2 4.5Å; C367-P401 WeakPolarHBondContact SG-CD 3.49Å
368	Q	93.7	Very high	90.1	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-46.1	172.6	-77.1	169.5	-65.8	0	0	111.5	E345 I364 S365 E370 A371 R372	E345-Q368 PolarHBondContact OE2-NE2 2.87Å; I364-Q368 HydrophobicContact CB-CB 4.18Å; I364-Q368 HydrophobicContact CD1-CB 4.4Å; S365-Q368 PolarHBondContact O-N 3.46Å; S365-Q368 WeakPolarHBondContact OG-CB 3.5Å; S365-Q368 VanDerWaalsContact OG-CG 3.25Å; S365-Q368 WeakPolarHBondContact OG-CG 3.3Å; S365-Q368 PolarHBondContact OG-N 3.12Å; S365-Q368 PolarHBondContact OG-OE1 2.79Å; Q368-E370 VanDerWaalsContact C-N 3.28Å; Q368-E370 PolarHBondContact O-N 3.45Å; Q368-A371 PolarHBondContact O-N 2.8Å; Q368-A371 VanDerWaalsContact O-N 3.13Å; Q368-R372 WeakPolarHBondContact O-CG 3.29Å; Q368-R372 PolarHBondContact O-N 3.43Å
369	A	94.6	Very high	89	Confident	9 Å²	9	41.6 Å²	41.6	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-41.3	176.8	0	0	0	0	0	111.9	I364 S365 R373 L393	I364-A369 HydrophobicContact CD1-CB 3.86Å; I364-A369 HydrophobicContact CG1-CB 4.35Å; S365-A369 PolarHBondContact O-N 3.03Å; A369-R373 WeakPolarHBondContact O-CB 3.23Å; A369-R373 PolarHBondContact O-N 2.62Å; A369-L393 HydrophobicContact CB-CD1 3.76Å; A369-L393 HydrophobicContact CB-CD2 4.22Å
370	E	92.2	Very high	88.3	Confident	55 Å²	55	42.1 Å²	42.1	26%	0.257	22%	0.216	S	C	.	.	H	α-helix	trans	-65.1	-43.9	174.4	-178.2	65.5	-177.1	0	0	112	R231 K366 C367 Q368 R372 R373 L374	R231-E370 IonicContact CZ-OE1 3.92Å; R231-E370 IonicContact NH1-OE1 2.86Å; R231-E370 PolarHBondContact NH1-OE1 3.38Å; K366-E370 PolarHBondContact O-N 2.77Å; K366-E370 VanDerWaalsContact O-N 3.12Å; C367-E370 PolarHBondContact O-N 3.43Å; Q368-E370 VanDerWaalsContact C-N 3.28Å; Q368-E370 PolarHBondContact O-N 3.45Å; E370-R372 PolarHBondContact O-N 3.43Å; E370-R373 WeakPolarHBondContact O-CB 3.45Å; E370-R373 PolarHBondContact O-N 3.32Å; E370-R373 IonicContact OE1-CZ 3.56Å; E370-R373 IonicContact OE1-NE 3.72Å; E370-R373 IonicContact OE1-NH2 2.74Å; E370-R373 PolarHBondContact OE1-NH2 3.01Å; E370-R373 IonicContact OE2-CZ 2.97Å; E370-R373 IonicContact OE2-NE 2.93Å; E370-R373 PolarHBondContact OE2-NE 2.89Å; E370-R373 IonicContact OE2-NH1 3.96Å; E370-R373 IonicContact OE2-NH2 3.86Å; E370-R373 PolarHBondContact OE2-NH2 3.01Å; E370-L374 HydrophobicContact CG-CD1 4.23Å; E370-L374 VanDerWaalsContact O-CG 3.3Å; E370-L374 WeakPolarHBondContact O-CG 3.39Å; E370-L374 PolarHBondContact O-N 3.33Å
371	A	90	Very high	87.7	Confident	15 Å²	15	41.8 Å²	41.8	12%	0.124	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-44.4	178.2	0	0	0	0	0	112	P72 C367 Q368 L374 R375	P72-A371 HydrophobicContact CG-CB 3.7Å; C367-A371 WeakPolarHBondContact O-CB 3.4Å; C367-A371 PolarHBondContact O-N 3.12Å; Q368-A371 PolarHBondContact O-N 2.8Å; Q368-A371 VanDerWaalsContact O-N 3.13Å; A371-L374 PolarHBondContact O-N 2.81Å; A371-R375 PolarHBondContact O-N 3.03Å
372	R	92.6	Very high	87.5	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.011	20%	0.2	C	C	.	.	H	α-helix	trans	-60.8	-44	174.4	-68.9	-178.4	-177	-178.5	3.2	111.6	Y267 D328 D341 Q368 E370 L374 R375	Y267-R372 HydrophobicContact CD1-CG 4.46Å; Y267-R372 VanDerWaalsContact CD1-CZ 3.49Å; Y267-R372 HydrophobicContact CD2-CG 4.2Å; Y267-R372 HydrophobicContact CE1-CG 4.02Å; Y267-R372 HydrophobicContact CE2-CB 4.03Å; Y267-R372 HydrophobicContact CE2-CG 3.74Å; D328-R372 WeakPolarHBondContact OD1-CG 3.45Å; D328-R372 IonicContact OD1-CZ 2.8Å; D328-R372 IonicContact OD1-NE 3.86Å; D328-R372 PolarHBondContact OD1-NE 3.27Å; D328-R372 IonicContact OD1-NH2 3.77Å; D328-R372 IonicContact OD2-CZ 3.01Å; D328-R372 IonicContact OD2-NE 2.62Å; D328-R372 IonicContact OD2-NH2 2.67Å; D328-R372 PolarHBondContact OD2-NH2 2.83Å; D341-R372 IonicContact OD1-CZ 2.69Å; D341-R372 IonicContact OD1-NH1 3.83Å; D341-R372 PolarHBondContact OD1-NH1 3.44Å; Q368-R372 WeakPolarHBondContact O-CG 3.29Å; Q368-R372 PolarHBondContact O-N 3.43Å; E370-R372 PolarHBondContact O-N 3.43Å; R372-L374 VanDerWaalsContact C-N 3.28Å; R372-L374 PolarHBondContact O-N 3.24Å; R372-R375 VanDerWaalsContact O-CB 3.26Å; R372-R375 WeakPolarHBondContact O-CB 3.38Å; R372-R375 PolarHBondContact O-N 3.37Å
373	R	91.3	Very high	87.4	Confident	44 Å²	44	37.8 Å²	37.8	17%	0.166	20%	0.202	C	C	.	.	H	α-helix	trans	-57.6	-41.3	175.2	-177.9	177.6	78.7	155.6	1.6	112.1	P232 A369 E370 R375 A376 C384	P232-R373 HydrophobicContact CB-CG 4.24Å; P232-R373 WeakPolarHBondContact O-CD 3.04Å; A369-R373 WeakPolarHBondContact O-CB 3.23Å; A369-R373 PolarHBondContact O-N 2.62Å; E370-R373 WeakPolarHBondContact O-CB 3.45Å; E370-R373 PolarHBondContact O-N 3.32Å; E370-R373 IonicContact OE1-CZ 3.56Å; E370-R373 IonicContact OE1-NE 3.72Å; E370-R373 IonicContact OE1-NH2 2.74Å; E370-R373 PolarHBondContact OE1-NH2 3.01Å; E370-R373 IonicContact OE2-CZ 2.97Å; E370-R373 IonicContact OE2-NE 2.93Å; E370-R373 PolarHBondContact OE2-NE 2.89Å; E370-R373 IonicContact OE2-NH1 3.96Å; E370-R373 IonicContact OE2-NH2 3.86Å; E370-R373 PolarHBondContact OE2-NH2 3.01Å; R373-R375 PolarHBondContact O-N 3.37Å; R373-A376 PolarHBondContact O-N 2.98Å; R373-C384 HydrophobicContact CB-CB 4.46Å; R373-C384 HydrophobicContact CG-CB 4.02Å
374	L	88.9	Confident	87.3	Confident	9 Å²	9	36.6 Å²	36.6	5%	0.047	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-72	-2.2	178.9	-66.3	172.8	0	0	0	113.8	E71 E370 A371 R372 R377	E71-L374 HydrophobicContact CB-CD1 4.03Å; E71-L374 HydrophobicContact CG-CD1 4.11Å; E370-L374 HydrophobicContact CG-CD1 4.23Å; E370-L374 VanDerWaalsContact O-CG 3.3Å; E370-L374 WeakPolarHBondContact O-CG 3.39Å; E370-L374 PolarHBondContact O-N 3.33Å; A371-L374 PolarHBondContact O-N 2.81Å; R372-L374 VanDerWaalsContact C-N 3.28Å; R372-L374 PolarHBondContact O-N 3.24Å; L374-R377 VanDerWaalsContact O-CB 3.3Å; L374-R377 WeakPolarHBondContact O-CB 3.23Å; L374-R377 VanDerWaalsContact O-CD 3.22Å; L374-R377 WeakPolarHBondContact O-CD 3.32Å; L374-R377 WeakPolarHBondContact O-CG 3.21Å; L374-R377 PolarHBondContact O-NH2 2.97Å; L374-R377 VanDerWaalsContact O-NH2 3.09Å
375	R	87.6	Confident	87.4	Confident	38 Å²	38	38.2 Å²	38.2	14%	0.143	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-75.6	-27.2	168.5	-61.5	-67.7	-178.7	162.8	-1.1	112.5	L265 A327 D328 F329 F331 V339 A371 R372 R373 R377	L265-R375 HydrophobicContact CD2-CB 4.34Å; L265-R375 HydrophobicContact CD2-CG 4.38Å; A327-R375 PolarHBondContact O-NH2 3.35Å; D328-R375 PolarHBondContact O-NH2 2.95Å; F329-R375 PolarHBondContact O-NH2 2.88Å; F331-R375 PolarHBondContact O-NH1 3.14Å; V339-R375 HydrophobicContact CG2-CB 3.96Å; A371-R375 PolarHBondContact O-N 3.03Å; R372-R375 VanDerWaalsContact O-CB 3.26Å; R372-R375 WeakPolarHBondContact O-CB 3.38Å; R372-R375 PolarHBondContact O-N 3.37Å; R373-R375 PolarHBondContact O-N 3.37Å; R375-R377 PolarHBondContact O-N 3.31Å
376	A	88.2	Confident	87.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-83.7	15.9	173.1	0	0	0	0	0	112.9	P232 V339 R373 G378 G382	P232-A376 HydrophobicContact CB-CB 4.17Å; P232-A376 HydrophobicContact CG-CB 4.02Å; P232-A376 VanDerWaalsContact CG-O 3.28Å; P232-A376 WeakPolarHBondContact CG-O 3.25Å; V339-A376 HydrophobicContact CG2-CB 3.92Å; R373-A376 PolarHBondContact O-N 2.98Å; A376-G378 PolarHBondContact O-N 3.39Å; A376-G382 WeakPolarHBondContact O-CA 3.33Å; A376-G382 PolarHBondContact O-N 2.94Å
377	R	76.6	Confident	87.5	Confident	58 Å²	58	34.2 Å²	34.2	22%	0.219	19%	0.186	C	C	.	.			trans	-60.5	126.9	171.3	77.7	-158.3	-45.9	138	168.3	107.4	P72 G73 L374 R375	P72-R377 PolarHBondContact O-NH1 3.05Å; P72-R377 PolarHBondContact O-NH2 3.25Å; G73-R377 VanDerWaalsContact CA-NH2 3.32Å; L374-R377 VanDerWaalsContact O-CB 3.3Å; L374-R377 WeakPolarHBondContact O-CB 3.23Å; L374-R377 VanDerWaalsContact O-CD 3.22Å; L374-R377 WeakPolarHBondContact O-CD 3.32Å; L374-R377 WeakPolarHBondContact O-CG 3.21Å; L374-R377 PolarHBondContact O-NH2 2.97Å; L374-R377 VanDerWaalsContact O-NH2 3.09Å; R375-R377 PolarHBondContact O-N 3.31Å
378	G	71	Confident	87.7	Confident	37 Å²	37	33.7 Å²	33.7	38%	0.381	18%	0.182	S	C	.	.			trans	-169.6	169.3	-177.9	0	0	0	0	0	109.7	A376 P380 P381	A376-G378 PolarHBondContact O-N 3.39Å; G378-P380 VanDerWaalsContact C-C 3.42Å; G378-P380 CarbonylContact C-O 3.59Å; G378-P380 CarbonylContact O-C 3.55Å; G378-P381 VanDerWaalsContact O-CA 3.27Å; G378-P381 WeakPolarHBondContact O-CA 3.25Å; G378-P381 VanDerWaalsContact O-N 3.15Å
379	F	64.3	Low	87.9	Confident	205 Å²	205	34.2 Å²	34.2	90%	0.899	19%	0.186	S	C	*	.	S	Bend	trans	-124.2	106.5	171.3	-164.6	-96	0	0	0	109.6
380	P	72.7	Confident	87.9	Confident	84 Å²	84	39.1 Å²	39.1	55%	0.545	21%	0.206	S	C	.	.	S	Bend	cis	-67.8	160.4	0.2	30.6	-36.2	0	0	0	113.4	G378 G382	G378-P380 VanDerWaalsContact C-C 3.42Å; G378-P380 CarbonylContact C-O 3.59Å; G378-P380 CarbonylContact O-C 3.55Å; P380-G382 PolarHBondContact O-N 3.41Å
381	P	77.6	Confident	88.1	Confident	49 Å²	49	39.4 Å²	39.4	32%	0.318	21%	0.214	S	C	.	.			trans	-62.2	137.3	-179.4	26.1	-34.9	0	0	0	111.3	E230 G378	E230-P381 HydrophobicContact CB-CG 4.11Å; G378-P381 VanDerWaalsContact O-CA 3.27Å; G378-P381 WeakPolarHBondContact O-CA 3.25Å; G378-P381 VanDerWaalsContact O-N 3.15Å
382	G	87.2	Confident	88.3	Confident	11 Å²	11	39.5 Å²	39.5	11%	0.113	21%	0.212	C	C	.	.			trans	-73.5	-174.5	178	0	0	0	0	0	114.2	Q337 A376 P380	Q337-G382 CarbonylContact O-C 3.38Å; Q337-G382 WeakPolarHBondContact O-CA 3.3Å; A376-G382 WeakPolarHBondContact O-CA 3.33Å; A376-G382 PolarHBondContact O-N 2.94Å; P380-G382 PolarHBondContact O-N 3.41Å
383	S	92	Very high	88.3	Confident	31 Å²	31	40.6 Å²	40.6	22%	0.217	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139	177	72.8	0	0	0	0	112.1	Q337 H338 V339	Q337-S383 PolarHBondContact O-N 2.77Å; H338-S383 WeakPolarHBondContact CA-O 3.45Å; H338-S383 PolarHBondContact ND1-OG 2.81Å; V339-S383 PolarHBondContact N-O 3.41Å
384	C	95	Very high	88.4	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.1	170.3	-176.1	0	0	0	0	109.4	P234 I235 V339 R373	P234-C384 CarbonylContact C-O 3.58Å; P234-C384 WeakPolarHBondContact CA-O 3.4Å; I235-C384 PolarHBondContact N-O 2.87Å; V339-C384 CarbonylContact O-C 3.58Å; V339-C384 WeakPolarHBondContact O-CA 3.27Å; R373-C384 HydrophobicContact CB-CB 4.46Å; R373-C384 HydrophobicContact CG-CB 4.02Å
385	L	96.6	Very high	88.6	Confident	35 Å²	35	50.1 Å²	50.1	18%	0.183	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	112.9	175.4	-179.9	70.2	0	0	0	109.8	I235 A251 V339 I340 D341 L387	I235-L385 HydrophobicContact CB-CD1 4.13Å; I235-L385 HydrophobicContact CG2-CD1 3.94Å; A251-L385 HydrophobicContact CB-CD2 3.39Å; V339-L385 PolarHBondContact O-N 3.43Å; I340-L385 CarbonylContact C-O 3.54Å; I340-L385 WeakPolarHBondContact CA-O 3.24Å; I340-L385 HydrophobicContact CG1-CB 4.4Å; D341-L385 PolarHBondContact N-O 3.39Å; L385-L387 HydrophobicContact CD2-CD2 4.06Å; L385-L387 HydrophobicContact CG-CD2 4.28Å
386	C	97.1	Very high	88.9	Confident	4 Å²	4	53.9 Å²	53.9	3%	0.027	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.7	174.6	-60.2	0	0	0	0	109.3	I235 Y236 R237 Y388	I235-C386 PolarHBondContact O-N 3.41Å; Y236-C386 HydrophobicContact CD1-CB 3.49Å; Y236-C386 VanDerWaalsContact CD1-CB 3.49Å; Y236-C386 HydrophobicContact CE1-CB 3.82Å; Y236-C386 HydrophobicContact CG-CB 4.3Å; R237-C386 PolarHBondContact N-O 3.43Å; R237-C386 VanDerWaalsContact N-O 3.09Å; C386-Y388 HydrophobicContact CB-CD1 4.05Å; C386-Y388 HydrophobicContact CB-CD2 4.2Å; C386-Y388 HydrophobicContact CB-CE1 3.69Å; C386-Y388 HydrophobicContact CB-CE2 3.86Å; C386-Y388 HydrophobicContact CB-CG 4.31Å; C386-Y388 PolarHBondContact O-N 3Å
387	L	96.9	Very high	89.2	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.016	29%	0.291	C	S	.	.	S	Bend	trans	-78.5	30.7	178.3	-55.2	-179.3	0	0	0	112.4	P241 A247 A248 I340 D341 L385	P241-L387 WeakPolarHBondContact CD-O 3.48Å; P241-L387 HydrophobicContact CG-CB 4.38Å; A247-L387 HydrophobicContact CB-CD1 4.43Å; A248-L387 HydrophobicContact CB-CD1 4.01Å; I340-L387 HydrophobicContact CG2-CD1 3.84Å; I340-L387 HydrophobicContact CG2-CD2 4.06Å; I340-L387 HydrophobicContact CG2-CG 3.93Å; D341-L387 PolarHBondContact O-N 2.94Å; L385-L387 HydrophobicContact CD2-CD2 4.06Å; L385-L387 HydrophobicContact CG-CD2 4.28Å
388	Y	96.6	Very high	90.1	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.02	29%	0.294	C	S	.	.	S	Bend	trans	-151.5	155.7	-176.6	51.4	-90.4	0	0	0	109.9	Y236 R237 D341 S342 G343 C386 F392 L393	Y236-Y388 WeakPolarHBondContact CB-O 3.43Å; Y236-Y388 HydrophobicContact CD1-CD2 4.24Å; Y236-Y388 HydrophobicContact CD1-CE2 4.14Å; Y236-Y388 WeakPolarHBondContact CD1-O 3.46Å; Y236-Y388 HydrophobicContact CE1-CD2 4.43Å; Y236-Y388 AromaticContact CE1-CE2 3.9Å; Y236-Y388 HydrophobicContact CE1-CE2 3.9Å; R237-Y388 PolarHBondContact N-O 2.51Å; R237-Y388 CarbonylContact O-C 3.47Å; D341-Y388 HydrophobicContact CB-CE1 4.35Å; D341-Y388 VanDerWaalsContact O-CE1 3.31Å; D341-Y388 WeakPolarHBondContact O-CE1 3.44Å; D341-Y388 WeakPolarHBondContact OD2-CE1 3.43Å; D341-Y388 PolarHBondContact OD2-OH 2.67Å; S342-Y388 WeakPolarHBondContact O-CD1 3.38Å; G343-Y388 VanDerWaalsContact N-CE1 3.32Å; C386-Y388 HydrophobicContact CB-CD1 4.05Å; C386-Y388 HydrophobicContact CB-CD2 4.2Å; C386-Y388 HydrophobicContact CB-CE1 3.69Å; C386-Y388 HydrophobicContact CB-CE2 3.86Å; C386-Y388 HydrophobicContact CB-CG 4.31Å; C386-Y388 PolarHBondContact O-N 3Å; Y388-F392 HydrophobicContact CD2-CB 4.48Å; Y388-F392 AromaticContact CD2-CD1 3.81Å; Y388-F392 HydrophobicContact CD2-CD1 3.81Å; Y388-F392 AromaticContact CG-CD1 3.96Å; Y388-F392 HydrophobicContact CG-CD1 3.96Å; Y388-L393 HydrophobicContact CE2-CB 4.09Å
389	P	96.4	Very high	91.2	Very high	21 Å²	21	56.5 Å²	56.5	14%	0.136	31%	0.306	C	S	.	.			trans	-72.8	151.6	176	29.2	-33.4	0	0	0	112.1	R237 I240 S391 F392	R237-P389 WeakPolarHBondContact O-CA 3.35Å; R237-P389 WeakPolarHBondContact O-CB 3.34Å; I240-P389 HydrophobicContact CG1-CG 4.37Å; P389-S391 PolarHBondContact O-N 3.42Å; P389-S391 VanDerWaalsContact O-N 3.16Å; P389-F392 HydrophobicContact CG-CB 4.04Å; P389-F392 VanDerWaalsContact O-CB 3.23Å; P389-F392 WeakPolarHBondContact O-CB 3.47Å; P389-F392 PolarHBondContact O-N 3.29Å
390	K	95.8	Very high	92.6	Very high	112 Å²	112	49 Å²	49	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-56.1	-34.7	178	-167.2	-177.9	-174.2	-117.9	0	112.7	Y236 F392 L393 E394	Y236-K390 HydrophobicContact CD1-CB 4.17Å; Y236-K390 HydrophobicContact CD2-CB 3.91Å; Y236-K390 HydrophobicContact CD2-CD 4.45Å; Y236-K390 HydrophobicContact CD2-CG 4.18Å; Y236-K390 HydrophobicContact CE1-CB 4.43Å; Y236-K390 HydrophobicContact CE1-CG 4.48Å; Y236-K390 HydrophobicContact CE2-CB 4.15Å; Y236-K390 HydrophobicContact CE2-CD 4.19Å; Y236-K390 HydrophobicContact CE2-CG 3.92Å; Y236-K390 HydrophobicContact CG-CB 3.92Å; K390-F392 VanDerWaalsContact C-N 3.26Å; K390-F392 PolarHBondContact O-N 3.43Å; K390-L393 PolarHBondContact O-N 3.15Å; K390-E394 VanDerWaalsContact CE-OE1 3.26Å; K390-E394 WeakPolarHBondContact CE-OE1 3.39Å; K390-E394 IonicContact NZ-OE1 2.67Å; K390-E394 PolarHBondContact NZ-OE1 2.93Å; K390-E394 WeakPolarHBondContact O-CG 3.29Å; K390-E394 PolarHBondContact O-N 3.38Å
391	S	95.3	Very high	93.5	Very high	62 Å²	62	46.1 Å²	46.1	43%	0.434	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-32.3	176.9	53.6	0	0	0	0	113.3	P389 E394 L395	P389-S391 PolarHBondContact O-N 3.42Å; P389-S391 VanDerWaalsContact O-N 3.16Å; S391-E394 PolarHBondContact O-N 3.04Å; S391-L395 VanDerWaalsContact O-CB 3.28Å; S391-L395 WeakPolarHBondContact O-CB 3.46Å; S391-L395 VanDerWaalsContact O-CG 3.32Å; S391-L395 WeakPolarHBondContact O-CG 3.46Å; S391-L395 PolarHBondContact O-N 2.8Å
392	F	94.6	Very high	94.2	Very high	17 Å²	17	48.3 Å²	48.3	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-48.9	175.7	175.2	-97.7	0	0	0	110.6	I240 L344 P363 Y388 P389 K390 E394 E396	I240-F392 HydrophobicContact CD1-CD2 3.91Å; I240-F392 HydrophobicContact CD1-CE2 4.26Å; L344-F392 HydrophobicContact CD2-CE1 4.43Å; L344-F392 HydrophobicContact CD2-CZ 3.74Å; P363-F392 HydrophobicContact CB-CE1 3.96Å; P363-F392 HydrophobicContact CB-CZ 3.75Å; P363-F392 HydrophobicContact CG-CE1 4.32Å; P363-F392 HydrophobicContact CG-CE2 4.14Å; P363-F392 HydrophobicContact CG-CZ 3.62Å; Y388-F392 HydrophobicContact CD2-CB 4.48Å; Y388-F392 AromaticContact CD2-CD1 3.81Å; Y388-F392 HydrophobicContact CD2-CD1 3.81Å; Y388-F392 AromaticContact CG-CD1 3.96Å; Y388-F392 HydrophobicContact CG-CD1 3.96Å; P389-F392 HydrophobicContact CG-CB 4.04Å; P389-F392 VanDerWaalsContact O-CB 3.23Å; P389-F392 WeakPolarHBondContact O-CB 3.47Å; P389-F392 PolarHBondContact O-N 3.29Å; K390-F392 VanDerWaalsContact C-N 3.26Å; K390-F392 PolarHBondContact O-N 3.43Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.96Å; F392-E396 HydrophobicContact CD2-CB 4.38Å; F392-E396 VanDerWaalsContact CD2-CD 3.48Å; F392-E396 HydrophobicContact CD2-CG 4.25Å; F392-E396 WeakPolarHBondContact CD2-OE2 3.42Å; F392-E396 HydrophobicContact CE2-CB 4.41Å; F392-E396 WeakPolarHBondContact CE2-OE2 3.35Å; F392-E396 WeakPolarHBondContact O-CB 3.39Å; F392-E396 PolarHBondContact O-N 3Å
393	L	92.8	Very high	94.5	Very high	25 Å²	25	48.2 Å²	48.2	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-36.1	176.6	-171.8	69.9	0	0	0	112.2	K366 A369 Y388 K390 A397	K366-L393 WeakPolarHBondContact CE-O 3.01Å; K366-L393 HydrophobicContact CG-CD1 4.35Å; K366-L393 HydrophobicContact CG-CG 4.46Å; A369-L393 HydrophobicContact CB-CD1 3.76Å; A369-L393 HydrophobicContact CB-CD2 4.22Å; Y388-L393 HydrophobicContact CE2-CB 4.09Å; K390-L393 PolarHBondContact O-N 3.15Å; L393-A397 HydrophobicContact CD1-CB 3.7Å; L393-A397 HydrophobicContact CG-CB 4.44Å; L393-A397 WeakPolarHBondContact O-CB 3.29Å
394	E	93.4	Very high	94.6	Very high	103 Å²	103	48.4 Å²	48.4	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-72	-40.8	-178	-73	176.1	173.6	0	0	112.8	K366 K390 S391 F392	K366-E394 PolarHBondContact NZ-O 2.89Å; K390-E394 VanDerWaalsContact CE-OE1 3.26Å; K390-E394 WeakPolarHBondContact CE-OE1 3.39Å; K390-E394 IonicContact NZ-OE1 2.67Å; K390-E394 PolarHBondContact NZ-OE1 2.93Å; K390-E394 WeakPolarHBondContact O-CG 3.29Å; K390-E394 PolarHBondContact O-N 3.38Å; S391-E394 PolarHBondContact O-N 3.04Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.96Å
395	L	93.2	Very high	94.5	Very high	150 Å²	150	48.3 Å²	48.3	79%	0.785	26%	0.255	S	S	*	.	H	α-helix	trans	-95.8	-35.8	-171.4	-62.3	173.3	0	0	0	114.1	S391	S391-L395 VanDerWaalsContact O-CB 3.28Å; S391-L395 WeakPolarHBondContact O-CB 3.46Å; S391-L395 VanDerWaalsContact O-CG 3.32Å; S391-L395 WeakPolarHBondContact O-CG 3.46Å; S391-L395 PolarHBondContact O-N 2.8Å
396	E	93.9	Very high	94.4	Very high	117 Å²	117	49.5 Å²	49.5	55%	0.547	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-29.9	-171.4	-57.4	-172.3	-155.7	0	0	113.5	P363 F392	P363-E396 HydrophobicContact CG-CB 3.98Å; F392-E396 HydrophobicContact CD2-CB 4.38Å; F392-E396 VanDerWaalsContact CD2-CD 3.48Å; F392-E396 HydrophobicContact CD2-CG 4.25Å; F392-E396 WeakPolarHBondContact CD2-OE2 3.42Å; F392-E396 HydrophobicContact CE2-CB 4.41Å; F392-E396 WeakPolarHBondContact CE2-OE2 3.35Å; F392-E396 WeakPolarHBondContact O-CB 3.39Å; F392-E396 PolarHBondContact O-N 3Å
397	A	94.8	Very high	94.2	Very high	9 Å²	9	50 Å²	50	7%	0.074	27%	0.267	C	S	.	.			trans	-77.7	131.5	-175	0	0	0	0	0	113.1	P363 I364 K366 L393	P363-A397 HydrophobicContact CB-CB 4.46Å; I364-A397 WeakPolarHBondContact O-CB 3.4Å; K366-A397 WeakPolarHBondContact CE-O 3.4Å; K366-A397 HydrophobicContact CG-CB 4.04Å; L393-A397 HydrophobicContact CD1-CB 3.7Å; L393-A397 HydrophobicContact CG-CB 4.44Å; L393-A397 WeakPolarHBondContact O-CB 3.29Å
398	P	95.5	Very high	94	Very high	44 Å²	44	51.6 Å²	51.6	29%	0.286	28%	0.275	S	S	.	.			trans	-68.9	158.2	172.8	30.4	-34.4	0	0	0	111.2	S365 K366	S365-P398 CarbonylContact C-O 3.52Å; S365-P398 WeakPolarHBondContact CA-O 3.33Å; S365-P398 WeakPolarHBondContact CB-O 3.45Å; K366-P398 PolarHBondContact N-O 3.17Å
399	P	93.8	Very high	93.8	Very high	97 Å²	97	53.5 Å²	53.5	63%	0.63	29%	0.285	S	S	*	.	S	Bend	trans	-68.3	-39.7	179.8	26.3	-33.4	0	0	0	113.3	C367	C367-P399 PolarHBondContact N-O 2.83Å
400	L	93.4	Very high	93.8	Very high	49 Å²	49	52.6 Å²	52.6	26%	0.257	28%	0.279	S	S	.	.	S	Bend	trans	-124.9	156.8	-178.5	-67.3	176.2	0	0	0	109.9	A207 L208 S365 C367	A207-L400 HydrophobicContact CB-CD2 3.67Å; L208-L400 HydrophobicContact CD1-CD1 4.24Å; S365-L400 VanDerWaalsContact CB-C 3.41Å; C367-L400 HydrophobicContact CB-CD2 4.5Å
401	P	91.5	Very high	93.8	Very high	23 Å²	23	47.3 Å²	47.3	15%	0.149	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-61.9	151.2	170.5	27.7	-35.8	0	0	0	110.9	Q173 C367	Q173-P401 WeakPolarHBondContact O-CG 3.36Å; C367-P401 WeakPolarHBondContact SG-CD 3.49Å
402	Q	91.8	Very high	93.7	Very high	95 Å²	95	46.6 Å²	46.6	44%	0.444	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-69.7	134.9	172.5	-72	-71	-8.4	0	0	109.8	E407	Q402-E407 WeakPolarHBondContact CB-OE1 3.29Å
403	P	94.3	Very high	93.7	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.058	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-69.9	136.4	179.5	30.8	-35.8	0	0	0	111.1	R175 V405 C406 D432	R175-P403 HydrophobicContact CB-CB 4.11Å; P403-V405 VanDerWaalsContact C-N 3.26Å; P403-V405 HydrophobicContact CB-CG1 4.32Å; P403-V405 PolarHBondContact O-N 2.86Å; P403-C406 HydrophobicContact CG-CB 4.27Å; P403-C406 PolarHBondContact O-N 2.92Å; P403-C406 VanDerWaalsContact O-N 3.09Å; P403-D432 HydrophobicContact CB-CB 4.26Å; P403-D432 HydrophobicContact CG-CB 3.84Å
404	R	93.8	Very high	93.8	Very high	34 Å²	34	45 Å²	45	13%	0.128	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-68.3	-25.9	-173.8	-59.5	-63	-64.4	163.9	-0.9	112.9	R175 V177 S348 C406 E407 E408	R175-R404 VanDerWaalsContact O-CB 3.25Å; R175-R404 WeakPolarHBondContact O-CB 3.45Å; R175-R404 VanDerWaalsContact O-CG 3.3Å; R175-R404 WeakPolarHBondContact O-CG 3.38Å; R175-R404 PolarHBondContact O-N 3.18Å; V177-R404 HydrophobicContact CG2-CB 3.89Å; S348-R404 PolarHBondContact O-NH1 2.97Å; R404-C406 PolarHBondContact O-N 2.76Å; R404-C406 VanDerWaalsContact O-N 3.13Å; R404-E407 IonicContact NH1-OE2 3.99Å; R404-E407 PolarHBondContact NH1-OE2 2.99Å; R404-E407 PolarHBondContact O-N 3.37Å; R404-E408 HydrophobicContact CB-CG 4.38Å; R404-E408 IonicContact CZ-OE1 3.02Å; R404-E408 IonicContact NE-OE1 2.83Å; R404-E408 PolarHBondContact NE-OE1 3.07Å; R404-E408 IonicContact NH2-OE1 3.22Å; R404-E408 PolarHBondContact NH2-OE1 3.35Å; R404-E408 PolarHBondContact O-N 3.48Å
405	V	94	Very high	93.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.5	-21.9	173.6	75.7	0	0	0	0	112.9	P403 L410 L413 F430 D432 P434	P403-V405 VanDerWaalsContact C-N 3.26Å; P403-V405 HydrophobicContact CB-CG1 4.32Å; P403-V405 PolarHBondContact O-N 2.86Å; V405-L410 HydrophobicContact CG2-CD2 4.15Å; V405-L413 HydrophobicContact CG2-CD2 4.47Å; V405-F430 HydrophobicContact CG2-CD1 4.01Å; V405-F430 HydrophobicContact CG2-CE1 3.99Å; V405-D432 WeakPolarHBondContact CG1-O 3.48Å; V405-P434 HydrophobicContact CG2-CB 4.18Å; V405-P434 HydrophobicContact CG2-CG 4.21Å
406	C	92.9	Very high	93.8	Very high	59 Å²	59	34.2 Å²	34.2	40%	0.399	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-93.5	-6.6	176.4	-62.8	0	0	0	0	113.7	P403 R404	P403-C406 HydrophobicContact CG-CB 4.27Å; P403-C406 PolarHBondContact O-N 2.92Å; P403-C406 VanDerWaalsContact O-N 3.09Å; R404-C406 PolarHBondContact O-N 2.76Å; R404-C406 VanDerWaalsContact O-N 3.13Å
407	E	93	Very high	93.6	Very high	15 Å²	15	28.7 Å²	28.7	7%	0.07	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-6.7	-170.6	-61	-169.6	153.7	0	0	113.8	V349 Y350 R362 Q402 R404	V349-E407 CarbonylContact C-O 3.47Å; V349-E407 WeakPolarHBondContact CA-O 3.48Å; V349-E407 HydrophobicContact CG1-CB 4.23Å; V349-E407 HydrophobicContact CG1-CG 4.4Å; V349-E407 HydrophobicContact CG2-CB 4.44Å; Y350-E407 PolarHBondContact N-O 2.93Å; R362-E407 IonicContact CZ-OE1 3.85Å; R362-E407 IonicContact CZ-OE2 3.06Å; R362-E407 IonicContact NH1-OE1 3.25Å; R362-E407 PolarHBondContact NH1-OE1 3.48Å; R362-E407 IonicContact NH1-OE2 3.18Å; R362-E407 IonicContact NH2-OE1 3.46Å; R362-E407 PolarHBondContact NH2-OE1 2.86Å; R362-E407 IonicContact NH2-OE2 3.16Å; R362-E407 PolarHBondContact NH2-OE2 3.41Å; Q402-E407 WeakPolarHBondContact CB-OE1 3.29Å; R404-E407 IonicContact NH1-OE2 3.99Å; R404-E407 PolarHBondContact NH1-OE2 2.99Å; R404-E407 PolarHBondContact O-N 3.37Å
408	E	93.4	Very high	93.4	Very high	36 Å²	36	29.4 Å²	29.4	17%	0.168	17%	0.166	C	C	.	.	S	Bend	trans	-111.8	161.6	-177.8	-68	-171.7	-168.8	0	0	112.5	R149 V177 R404 L410	R149-E408 IonicContact CZ-OE2 3.15Å; R149-E408 IonicContact NH1-OE2 3.29Å; R149-E408 IonicContact NH2-OE1 3.56Å; R149-E408 IonicContact NH2-OE2 2.84Å; R149-E408 PolarHBondContact NH2-OE2 3.24Å; V177-E408 HydrophobicContact CG2-CB 3.91Å; V177-E408 HydrophobicContact CG2-CG 4.14Å; V177-E408 VanDerWaalsContact CG2-OE2 3.29Å; V177-E408 WeakPolarHBondContact CG2-OE2 3.28Å; R404-E408 HydrophobicContact CB-CG 4.38Å; R404-E408 IonicContact CZ-OE1 3.02Å; R404-E408 IonicContact NE-OE1 2.83Å; R404-E408 PolarHBondContact NE-OE1 3.07Å; R404-E408 IonicContact NH2-OE1 3.22Å; R404-E408 PolarHBondContact NH2-OE1 3.35Å; R404-E408 PolarHBondContact O-N 3.48Å; E408-L410 PolarHBondContact O-N 2.88Å
409	N	93.1	Very high	93	Very high	45 Å²	45	28.8 Å²	28.8	24%	0.241	16%	0.158	C	C	.	.			trans	-67.8	125.1	169.2	-175.8	-20.3	0	0	0	109.4	Y350 S411	Y350-N409 HydrophobicContact CD1-CB 4.12Å; Y350-N409 HydrophobicContact CD2-CB 3.82Å; Y350-N409 HydrophobicContact CE1-CB 4.23Å; Y350-N409 HydrophobicContact CE2-CB 3.93Å; Y350-N409 HydrophobicContact CG-CB 3.91Å; N409-S411 WeakPolarHBondContact OD1-CB 3.35Å; N409-S411 PolarHBondContact OD1-N 2.81Å; N409-S411 PolarHBondContact OD1-OG 2.8Å
410	L	95.4	Very high	92.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.14	C	C	.	.			trans	-94.8	0.2	-174.9	-56.4	-177.3	0	0	0	113.9	V177 V405 E408 S412 L413 V414 P434 A438 L439 A442	V177-L410 HydrophobicContact CG1-CD2 4.22Å; V405-L410 HydrophobicContact CG2-CD2 4.15Å; E408-L410 PolarHBondContact O-N 2.88Å; L410-S412 VanDerWaalsContact C-N 3.31Å; L410-S412 PolarHBondContact O-N 3.14Å; L410-L413 HydrophobicContact CD2-CD2 4.21Å; L410-L413 WeakPolarHBondContact O-CA 3.35Å; L410-L413 WeakPolarHBondContact O-CB 3.35Å; L410-L413 PolarHBondContact O-N 2.9Å; L410-V414 HydrophobicContact CB-CG2 4.42Å; L410-V414 WeakPolarHBondContact O-CG2 3.47Å; L410-V414 PolarHBondContact O-N 2.85Å; L410-P434 HydrophobicContact CD1-CB 3.63Å; L410-P434 HydrophobicContact CD1-CG 4.1Å; L410-A438 HydrophobicContact CD1-CB 4.13Å; L410-L439 HydrophobicContact CD1-CD2 3.85Å; L410-A442 HydrophobicContact CB-CB 4.16Å
411	S	95.3	Very high	92.1	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-55.2	-43	-177.4	-58.2	0	0	0	0	112.9	N409 L415	N409-S411 WeakPolarHBondContact OD1-CB 3.35Å; N409-S411 PolarHBondContact OD1-N 2.81Å; N409-S411 PolarHBondContact OD1-OG 2.8Å; S411-L415 WeakPolarHBondContact O-CB 3.32Å; S411-L415 PolarHBondContact O-N 3.07Å
412	S	94.2	Very high	91.7	Very high	47 Å²	47	33.4 Å²	33.4	33%	0.329	17%	0.165	S	C	.	.	H	α-helix	trans	-66.3	-38.8	175.3	-52.1	0	0	0	0	112.6	L410 L416 P472	L410-S412 VanDerWaalsContact C-N 3.31Å; L410-S412 PolarHBondContact O-N 3.14Å; S412-L416 VanDerWaalsContact O-CG 3.3Å; S412-L416 WeakPolarHBondContact O-CG 3.22Å; S412-L416 PolarHBondContact O-N 3.41Å; S412-P472 WeakPolarHBondContact OG-CD 3.26Å
413	L	93.8	Very high	91	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-50.1	177.3	170.8	63	0	0	0	110.6	L152 V177 S181 V405 L410 L415 L416 L417 F430	L152-L413 HydrophobicContact CD2-CD1 3.94Å; V177-L413 HydrophobicContact CG1-CB 4.24Å; V177-L413 HydrophobicContact CG1-CD2 3.73Å; V177-L413 HydrophobicContact CG1-CG 4.42Å; S181-L413 WeakPolarHBondContact OG-CD1 3.35Å; S181-L413 WeakPolarHBondContact OG-CD2 3.3Å; V405-L413 HydrophobicContact CG2-CD2 4.47Å; L410-L413 HydrophobicContact CD2-CD2 4.21Å; L410-L413 WeakPolarHBondContact O-CA 3.35Å; L410-L413 WeakPolarHBondContact O-CB 3.35Å; L410-L413 PolarHBondContact O-N 2.9Å; L413-L415 VanDerWaalsContact C-N 3.27Å; L413-L415 PolarHBondContact O-N 3.33Å; L413-L416 PolarHBondContact O-N 3.24Å; L413-L417 HydrophobicContact CD1-CD1 4.03Å; L413-L417 HydrophobicContact CD1-CD2 4.19Å; L413-L417 HydrophobicContact CD1-CG 3.89Å; L413-L417 HydrophobicContact CD2-CD1 4.39Å; L413-L417 HydrophobicContact CG-CD1 3.87Å; L413-L417 HydrophobicContact CG-CG 4.17Å; L413-L417 WeakPolarHBondContact O-CG 3.41Å; L413-L417 PolarHBondContact O-N 3.24Å; L413-F430 HydrophobicContact CD2-CE1 3.85Å; L413-F430 HydrophobicContact CD2-CZ 3.89Å
414	V	95.3	Very high	90.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-41.2	-179.5	171.8	0	0	0	0	110.9	L410 L416 L417 K418 P425 L439 A442 L443 L446	L410-V414 HydrophobicContact CB-CG2 4.42Å; L410-V414 WeakPolarHBondContact O-CG2 3.47Å; L410-V414 PolarHBondContact O-N 2.85Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 2.73Å; V414-L417 PolarHBondContact O-N 2.88Å; V414-K418 HydrophobicContact CG1-CG 4.34Å; V414-K418 WeakPolarHBondContact O-CB 3.3Å; V414-K418 WeakPolarHBondContact O-CG 3.05Å; V414-K418 PolarHBondContact O-N 3.02Å; V414-P425 HydrophobicContact CG1-CG 3.77Å; V414-P425 HydrophobicContact CG2-CB 4.21Å; V414-P425 HydrophobicContact CG2-CG 4.25Å; V414-L439 HydrophobicContact CG2-CD2 4.13Å; V414-A442 HydrophobicContact CB-CB 4.27Å; V414-A442 HydrophobicContact CG2-CB 3.75Å; V414-L443 HydrophobicContact CG1-CD2 3.61Å; V414-L443 HydrophobicContact CG1-CG 4.09Å; V414-L446 HydrophobicContact CB-CD1 3.99Å; V414-L446 HydrophobicContact CG1-CD1 3.68Å
415	L	94.8	Very high	90	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-44.9	174.4	-176.9	64.9	0	0	0	111.9	S411 L413 R419 L446 A451 L458 L465 P472	S411-L415 WeakPolarHBondContact O-CB 3.32Å; S411-L415 PolarHBondContact O-N 3.07Å; L413-L415 VanDerWaalsContact C-N 3.27Å; L413-L415 PolarHBondContact O-N 3.33Å; L415-R419 WeakPolarHBondContact O-CB 3.29Å; L415-R419 PolarHBondContact O-N 2.8Å; L415-L446 HydrophobicContact CB-CD1 4.03Å; L415-L446 HydrophobicContact CB-CD2 4.16Å; L415-L446 HydrophobicContact CD1-CD2 4.23Å; L415-A451 HydrophobicContact CD1-CB 4.3Å; L415-L458 HydrophobicContact CD1-CD1 3.56Å; L415-L465 HydrophobicContact CD2-CB 4.17Å; L415-P472 HydrophobicContact CD2-CG 4.19Å
416	L	91.3	Very high	89.5	Confident	19 Å²	19	37.5 Å²	37.5	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-70.2	-36.1	178.3	-65.2	176.5	0	0	0	112.8	L152 Q153 A156 S412 L413 V414 R419 R420	L152-L416 HydrophobicContact CD2-CD1 4.19Å; L152-L416 HydrophobicContact CG-CD1 4.13Å; Q153-L416 HydrophobicContact CG-CD1 3.81Å; Q153-L416 HydrophobicContact CG-CD2 4.17Å; A156-L416 HydrophobicContact CB-CB 3.76Å; A156-L416 HydrophobicContact CB-CD2 3.74Å; A156-L416 HydrophobicContact CB-CG 4.21Å; S412-L416 VanDerWaalsContact O-CG 3.3Å; S412-L416 WeakPolarHBondContact O-CG 3.22Å; S412-L416 PolarHBondContact O-N 3.41Å; L413-L416 PolarHBondContact O-N 3.24Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 2.73Å; L416-R419 WeakPolarHBondContact O-CB 3.22Å; L416-R419 PolarHBondContact O-N 3.33Å; L416-R420 PolarHBondContact O-N 2.8Å; L416-R420 VanDerWaalsContact O-N 3.13Å
417	L	90.4	Very high	88.9	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-44	174.6	-65.7	175.8	0	0	0	111.1	L185 L413 V414 R419 R420 Q421 I422 P425 C428 F430	L185-L417 HydrophobicContact CD1-CD2 4.38Å; L185-L417 HydrophobicContact CD2-CD2 3.82Å; L185-L417 HydrophobicContact CG-CD2 4.31Å; L413-L417 HydrophobicContact CD1-CD1 4.03Å; L413-L417 HydrophobicContact CD1-CD2 4.19Å; L413-L417 HydrophobicContact CD1-CG 3.89Å; L413-L417 HydrophobicContact CD2-CD1 4.39Å; L413-L417 HydrophobicContact CG-CD1 3.87Å; L413-L417 HydrophobicContact CG-CG 4.17Å; L413-L417 WeakPolarHBondContact O-CG 3.41Å; L413-L417 PolarHBondContact O-N 3.24Å; V414-L417 PolarHBondContact O-N 2.88Å; L417-R419 VanDerWaalsContact C-N 3.34Å; L417-R419 PolarHBondContact O-N 3.18Å; L417-R420 CarbonylContact O-C 3.59Å; L417-R420 WeakPolarHBondContact O-CA 3.29Å; L417-R420 WeakPolarHBondContact O-CB 3.26Å; L417-R420 PolarHBondContact O-N 3.09Å; L417-Q421 PolarHBondContact O-N 3.03Å; L417-I422 HydrophobicContact CB-CB 4.43Å; L417-I422 HydrophobicContact CB-CD1 4.39Å; L417-I422 HydrophobicContact CD2-CD1 3.81Å; L417-I422 PolarHBondContact O-N 3.46Å; L417-P425 HydrophobicContact CD1-CB 4.15Å; L417-C428 HydrophobicContact CD1-CB 4.5Å; L417-F430 HydrophobicContact CD1-CZ 4.09Å
418	K	90.4	Very high	88.5	Confident	23 Å²	23	39.4 Å²	39.4	10%	0.1	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-40.4	173.6	-73	-73.8	-172.9	173	0	111.6	V414 R420 Q421 A423 L452 G456 L458	V414-K418 HydrophobicContact CG1-CG 4.34Å; V414-K418 WeakPolarHBondContact O-CB 3.3Å; V414-K418 WeakPolarHBondContact O-CG 3.05Å; V414-K418 PolarHBondContact O-N 3.02Å; K418-R420 PolarHBondContact O-N 2.87Å; K418-Q421 PolarHBondContact O-N 3.06Å; K418-A423 WeakPolarHBondContact CE-O 3.12Å; K418-A423 PolarHBondContact NZ-O 3.37Å; K418-L452 HydrophobicContact CD-CD2 4.42Å; K418-L452 HydrophobicContact CG-CD2 4.18Å; K418-G456 VanDerWaalsContact CE-O 3.31Å; K418-G456 WeakPolarHBondContact CE-O 3.36Å; K418-G456 PolarHBondContact NZ-O 2.69Å; K418-L458 HydrophobicContact CB-CD1 4.22Å
419	R	88.3	Confident	88.2	Confident	31 Å²	31	42.1 Å²	42.1	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-58.2	-28.6	172.1	-174.8	60	166.7	163.6	-5.5	112.8	A156 L415 L416 L417 Q421 L458 S466 E467	A156-R419 WeakPolarHBondContact O-CG 3.35Å; L415-R419 WeakPolarHBondContact O-CB 3.29Å; L415-R419 PolarHBondContact O-N 2.8Å; L416-R419 WeakPolarHBondContact O-CB 3.22Å; L416-R419 PolarHBondContact O-N 3.33Å; L417-R419 VanDerWaalsContact C-N 3.34Å; L417-R419 PolarHBondContact O-N 3.18Å; R419-Q421 VanDerWaalsContact C-N 3.32Å; R419-L458 HydrophobicContact CB-CD2 4.07Å; R419-S466 VanDerWaalsContact CD-OG 3.26Å; R419-S466 WeakPolarHBondContact CD-OG 3.39Å; R419-S466 PolarHBondContact NE-OG 3.42Å; R419-E467 IonicContact CZ-OE1 3.41Å; R419-E467 IonicContact NE-OE1 2.93Å; R419-E467 IonicContact NH2-OE1 2.98Å; R419-E467 PolarHBondContact NH2-OE1 3.08Å
420	R	83.9	Confident	87.9	Confident	71 Å²	71	40.5 Å²	40.5	27%	0.268	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	10.9	172.1	-78.4	-60.8	-167.4	-159.3	-12.6	116	E154 V155 A156 S157 L416 L417 K418 I422	E154-R420 PolarHBondContact O-NH2 3.44Å; E154-R420 VanDerWaalsContact O-NH2 3.08Å; V155-R420 VanDerWaalsContact C-NE 3.33Å; V155-R420 PolarHBondContact O-NE 3.04Å; V155-R420 PolarHBondContact O-NH2 2.96Å; A156-R420 HydrophobicContact CB-CG 4.2Å; A156-R420 VanDerWaalsContact O-CD 3.25Å; A156-R420 WeakPolarHBondContact O-CD 2.93Å; A156-R420 WeakPolarHBondContact O-CG 3.46Å; A156-R420 PolarHBondContact O-NE 2.59Å; S157-R420 PolarHBondContact O-NH1 3.01Å; S157-R420 PolarHBondContact O-NH2 3.24Å; L416-R420 PolarHBondContact O-N 2.8Å; L416-R420 VanDerWaalsContact O-N 3.13Å; L417-R420 CarbonylContact O-C 3.59Å; L417-R420 WeakPolarHBondContact O-CA 3.29Å; L417-R420 WeakPolarHBondContact O-CB 3.26Å; L417-R420 PolarHBondContact O-N 3.09Å; K418-R420 PolarHBondContact O-N 2.87Å; R420-I422 PolarHBondContact O-N 3.21Å
421	Q	83.3	Confident	87.7	Confident	171 Å²	171	41.1 Å²	41.1	80%	0.799	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	28.3	177.6	-52.2	175.1	-5.1	0	0	112.7	L417 K418 R419 A423	L417-Q421 PolarHBondContact O-N 3.03Å; K418-Q421 PolarHBondContact O-N 3.06Å; R419-Q421 VanDerWaalsContact C-N 3.32Å; Q421-A423 PolarHBondContact O-N 3.41Å
422	I	82.9	Confident	87.5	Confident	25 Å²	25	43 Å²	43	13%	0.128	22%	0.224	C	C	.	.			trans	-80.1	109.7	166.4	-64.9	172	0	0	0	107	L185 L417 R420 E424	L185-I422 HydrophobicContact CD2-CD1 3.27Å; L417-I422 HydrophobicContact CB-CB 4.43Å; L417-I422 HydrophobicContact CB-CD1 4.39Å; L417-I422 HydrophobicContact CD2-CD1 3.81Å; L417-I422 PolarHBondContact O-N 3.46Å; R420-I422 PolarHBondContact O-N 3.21Å; I422-E424 WeakPolarHBondContact CG2-O 3.2Å
423	A	78.3	Confident	87.4	Confident	55 Å²	55	45.6 Å²	45.6	46%	0.455	23%	0.231	S	C	.	.	S	Bend	trans	-61.9	-52.4	-173.5	0	0	0	0	0	111.2	K418 Q421	K418-A423 WeakPolarHBondContact CE-O 3.12Å; K418-A423 PolarHBondContact NZ-O 3.37Å; Q421-A423 PolarHBondContact O-N 3.41Å
424	E	83.9	Confident	87.4	Confident	128 Å²	128	45.6 Å²	45.6	60%	0.598	23%	0.231	S	C	*	.	S	Bend	trans	-113	119.3	173.8	-71	-157.9	-170.1	0	0	110.8	I422 G426 E427	I422-E424 WeakPolarHBondContact CG2-O 3.2Å; E424-G426 PolarHBondContact O-N 3.37Å; E424-E427 HydrophobicContact CB-CG 3.95Å; E424-E427 WeakPolarHBondContact O-CB 3.36Å; E424-E427 PolarHBondContact O-N 2.8Å
425	P	83.1	Confident	87.2	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.032	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-55.4	-24.6	178.7	-27.7	34.8	0	0	0	114.4	V414 L417 E427 C428 L439 L443	V414-P425 HydrophobicContact CG1-CG 3.77Å; V414-P425 HydrophobicContact CG2-CB 4.21Å; V414-P425 HydrophobicContact CG2-CG 4.25Å; L417-P425 HydrophobicContact CD1-CB 4.15Å; P425-E427 VanDerWaalsContact C-N 3.3Å; P425-E427 PolarHBondContact O-N 3.01Å; P425-C428 WeakPolarHBondContact O-CB 3.22Å; P425-C428 PolarHBondContact O-N 3.11Å; P425-L439 HydrophobicContact CB-CD2 4.15Å; P425-L443 HydrophobicContact CG-CD2 4.18Å
426	G	82	Confident	87.1	Confident	36 Å²	36	51.4 Å²	51.4	37%	0.371	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-73.7	-14	175.6	0	0	0	0	0	114.9	E424 C428	E424-G426 PolarHBondContact O-N 3.37Å; G426-C428 VanDerWaalsContact C-N 3.31Å
427	E	81.9	Confident	87.2	Confident	115 Å²	115	55 Å²	55	54%	0.537	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-73.8	-26.5	173.6	-68.5	177.7	156.5	0	0	111.9	E424 P425 H429	E424-E427 HydrophobicContact CB-CG 3.95Å; E424-E427 WeakPolarHBondContact O-CB 3.36Å; E424-E427 PolarHBondContact O-N 2.8Å; P425-E427 VanDerWaalsContact C-N 3.3Å; P425-E427 PolarHBondContact O-N 3.01Å; E427-H429 PolarHBondContact O-N 3.22Å; E427-H429 PolarHBondContact O-ND1 3.44Å; E427-H429 VanDerWaalsContact O-ND1 3.1Å
428	C	83.5	Confident	87.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-53.5	126.8	175.7	-177.4	0	0	0	0	110.3	D188 L417 P425 G426 F430 Q433	D188-C428 WeakPolarHBondContact OD2-CA 3.43Å; L417-C428 HydrophobicContact CD1-CB 4.5Å; P425-C428 WeakPolarHBondContact O-CB 3.22Å; P425-C428 PolarHBondContact O-N 3.11Å; G426-C428 VanDerWaalsContact C-N 3.31Å; C428-F430 VanDerWaalsContact C-N 3.31Å; C428-F430 HydrophobicContact CB-CD2 4.13Å; C428-F430 HydrophobicContact CB-CE2 3.61Å; C428-F430 HydrophobicContact CB-CZ 3.97Å; C428-F430 VanDerWaalsContact O-CD2 3.3Å; C428-F430 WeakPolarHBondContact O-CD2 3.45Å; C428-F430 PolarHBondContact O-N 3.33Å; C428-Q433 PolarHBondContact O-NE2 3.02Å; C428-Q433 VanDerWaalsContact O-NE2 3.12Å
429	H	86.4	Confident	87.5	Confident	92 Å²	92	55.3 Å²	55.3	43%	0.426	29%	0.294	S	S	.	.			trans	-78	80.1	-179.5	-62.6	-13.4	0	0	0	111.9	G184 Q187 D188 F215 E427	G184-H429 WeakPolarHBondContact CA-O 3.17Å; Q187-H429 PolarHBondContact OE1-CD2 3.37Å; Q187-H429 VanDerWaalsContact OE1-CD2 3.23Å; D188-H429 WeakPolarHBondContact OD1-CB 3.37Å; D188-H429 IonicContact OD1-CD2 3.37Å; D188-H429 PolarHBondContact OD1-CD2 3.08Å; D188-H429 IonicContact OD1-CE1 3.55Å; D188-H429 IonicContact OD1-CG 3.4Å; D188-H429 PolarHBondContact OD1-N 3.2Å; D188-H429 IonicContact OD1-ND1 3.66Å; D188-H429 PolarHBondContact OD1-ND1 3.5Å; D188-H429 IonicContact OD1-NE2 3.94Å; D188-H429 PolarHBondContact OD1-NE2 3.43Å; D188-H429 PolarHBondContact OD2-N 3.38Å; F215-H429 HydrophobicContact CE2-CB 4.47Å; F215-H429 WeakPolarHBondContact CE2-O 3.41Å; F215-H429 VanDerWaalsContact CZ-O 3.23Å; F215-H429 WeakPolarHBondContact CZ-O 3.37Å; E427-H429 PolarHBondContact O-N 3.22Å; E427-H429 PolarHBondContact O-ND1 3.44Å; E427-H429 VanDerWaalsContact O-ND1 3.1Å
430	F	88.4	Confident	87.8	Confident	11 Å²	11	59.4 Å²	59.4	5%	0.048	32%	0.316	C	S	.	.			trans	-69.8	146.3	172	-63.2	-79.2	0	0	0	112.4	V405 L413 L417 C428 D432 P434	V405-F430 HydrophobicContact CG2-CD1 4.01Å; V405-F430 HydrophobicContact CG2-CE1 3.99Å; L413-F430 HydrophobicContact CD2-CE1 3.85Å; L413-F430 HydrophobicContact CD2-CZ 3.89Å; L417-F430 HydrophobicContact CD1-CZ 4.09Å; C428-F430 VanDerWaalsContact C-N 3.31Å; C428-F430 HydrophobicContact CB-CD2 4.13Å; C428-F430 HydrophobicContact CB-CE2 3.61Å; C428-F430 HydrophobicContact CB-CZ 3.97Å; C428-F430 VanDerWaalsContact O-CD2 3.3Å; C428-F430 WeakPolarHBondContact O-CD2 3.45Å; C428-F430 PolarHBondContact O-N 3.33Å; F430-D432 VanDerWaalsContact C-N 3.28Å; F430-D432 VanDerWaalsContact CB-O 3.23Å; F430-D432 WeakPolarHBondContact CB-O 3.4Å; F430-D432 PolarHBondContact O-N 2.95Å; F430-P434 HydrophobicContact CD2-CG 4.24Å; F430-P434 HydrophobicContact CE2-CG 4.17Å
431	L	90.8	Very high	88.3	Confident	15 Å²	15	56.4 Å²	56.4	8%	0.079	31%	0.305	C	S	.	.	S	Bend	trans	-63	-35	172.1	-176.6	62.4	0	0	0	112.5	R175 K211 L212 F215	R175-L431 VanDerWaalsContact CZ-CD2 3.4Å; K211-L431 HydrophobicContact CD-CD1 4.27Å; K211-L431 HydrophobicContact CD-CG 4.25Å; K211-L431 WeakPolarHBondContact CE-O 3.44Å; K211-L431 HydrophobicContact CG-CD1 3.95Å; K211-L431 HydrophobicContact CG-CG 4.48Å; L212-L431 HydrophobicContact CD2-CD1 4.44Å; L212-L431 HydrophobicContact CD2-CD2 3.74Å; L212-L431 HydrophobicContact CG-CD2 4.39Å; F215-L431 HydrophobicContact CB-CD1 3.45Å; F215-L431 VanDerWaalsContact CB-CD1 3.45Å; F215-L431 HydrophobicContact CD1-CD1 4.41Å; F215-L431 HydrophobicContact CD2-CB 4.31Å; F215-L431 HydrophobicContact CD2-CD1 3.72Å; F215-L431 HydrophobicContact CE2-CB 4.43Å; F215-L431 HydrophobicContact CG-CD1 3.6Å
432	D	91.6	Very high	88.8	Confident	43 Å²	43	48.3 Å²	48.3	23%	0.23	27%	0.267	C	S	.	.	S	Bend	trans	-129.6	124.4	163	-77.9	-67.6	0	0	0	108.2	R175 K211 P403 V405 F430	R175-D432 IonicContact CZ-OD2 3.09Å; R175-D432 IonicContact NH1-OD2 2.77Å; R175-D432 PolarHBondContact NH1-OD2 2.99Å; R175-D432 IonicContact NH2-OD2 2.8Å; R175-D432 PolarHBondContact NH2-OD2 2.99Å; K211-D432 IonicContact NZ-OD1 3.76Å; K211-D432 PolarHBondContact NZ-OD1 3.44Å; K211-D432 IonicContact NZ-OD2 2.6Å; K211-D432 PolarHBondContact NZ-OD2 3.04Å; P403-D432 HydrophobicContact CB-CB 4.26Å; P403-D432 HydrophobicContact CG-CB 3.84Å; V405-D432 WeakPolarHBondContact CG1-O 3.48Å; F430-D432 VanDerWaalsContact C-N 3.28Å; F430-D432 VanDerWaalsContact CB-O 3.23Å; F430-D432 WeakPolarHBondContact CB-O 3.4Å; F430-D432 PolarHBondContact O-N 2.95Å
433	Q	90.9	Very high	89.4	Confident	100 Å²	100	49.3 Å²	49.3	47%	0.467	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-69.1	127.7	-179.9	-75.9	-70.6	-15.6	0	0	110.5	C428	C428-Q433 PolarHBondContact O-NE2 3.02Å; C428-Q433 VanDerWaalsContact O-NE2 3.12Å
434	P	93.1	Very high	90.1	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.052	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-63.1	157.9	172.2	25.9	-32.5	0	0	0	111	V405 L410 F430 L439	V405-P434 HydrophobicContact CG2-CB 4.18Å; V405-P434 HydrophobicContact CG2-CG 4.21Å; L410-P434 HydrophobicContact CD1-CB 3.63Å; L410-P434 HydrophobicContact CD1-CG 4.1Å; F430-P434 HydrophobicContact CD2-CG 4.24Å; F430-P434 HydrophobicContact CE2-CG 4.17Å; P434-L439 HydrophobicContact CB-CG 4.4Å; P434-L439 HydrophobicContact CG-CD1 3.89Å; P434-L439 HydrophobicContact CG-CD2 3.87Å; P434-L439 HydrophobicContact CG-CG 3.83Å
435	A	92	Very high	90.6	Very high	46 Å²	46	44.2 Å²	44.2	38%	0.38	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-59.9	134.4	174.5	0	0	0	0	0	109.9	E437 A438 L439	A435-E437 PolarHBondContact O-N 3.02Å; A435-E437 VanDerWaalsContact O-N 3.12Å; A435-A438 HydrophobicContact CB-CB 4.43Å; A435-A438 WeakPolarHBondContact O-CB 3.43Å; A435-A438 PolarHBondContact O-N 3.34Å; A435-L439 PolarHBondContact O-N 2.99Å
436	P	92.6	Very high	91.2	Very high	84 Å²	84	44 Å²	44	55%	0.545	24%	0.238	S	C	.	.	H	α-helix	trans	-53.8	-34.9	177.5	-27.6	35.2	0	0	0	112.5	A438 L439 M440	P436-A438 VanDerWaalsContact C-N 3.28Å; P436-A438 PolarHBondContact O-N 2.89Å; P436-L439 PolarHBondContact O-N 2.92Å; P436-M440 HydrophobicContact CB-CE 4.35Å; P436-M440 WeakPolarHBondContact O-CB 3.39Å; P436-M440 VanDerWaalsContact O-CG 3.32Å; P436-M440 WeakPolarHBondContact O-CG 3.44Å; P436-M440 PolarHBondContact O-N 3.34Å
437	E	93.4	Very high	91.8	Very high	95 Å²	95	46 Å²	46	44%	0.444	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-32.7	176.5	-58.7	87	169.4	0	0	113.1	A435 M440 Q441	A435-E437 PolarHBondContact O-N 3.02Å; A435-E437 VanDerWaalsContact O-N 3.12Å; E437-M440 HydrophobicContact CG-CE 4.25Å; E437-Q441 WeakPolarHBondContact O-CB 3.29Å; E437-Q441 PolarHBondContact O-N 3.13Å
438	A	93.9	Very high	92.3	Very high	13 Å²	13	43 Å²	43	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-71.9	-40.8	177	0	0	0	0	0	111.6	P352 L410 A435 P436 A442	P352-A438 HydrophobicContact CG-CB 4.39Å; L410-A438 HydrophobicContact CD1-CB 4.13Å; A435-A438 HydrophobicContact CB-CB 4.43Å; A435-A438 WeakPolarHBondContact O-CB 3.43Å; A435-A438 PolarHBondContact O-N 3.34Å; P436-A438 VanDerWaalsContact C-N 3.28Å; P436-A438 PolarHBondContact O-N 2.89Å; A438-A442 WeakPolarHBondContact O-CB 3.38Å; A438-A442 PolarHBondContact O-N 2.93Å
439	L	94.1	Very high	92.8	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.089	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-45.2	175.2	-68.5	178.5	0	0	0	112	L410 V414 P425 P434 A435 P436 Q441 A442 L443	L410-L439 HydrophobicContact CD1-CD2 3.85Å; V414-L439 HydrophobicContact CG2-CD2 4.13Å; P425-L439 HydrophobicContact CB-CD2 4.15Å; P434-L439 HydrophobicContact CB-CG 4.4Å; P434-L439 HydrophobicContact CG-CD1 3.89Å; P434-L439 HydrophobicContact CG-CD2 3.87Å; P434-L439 HydrophobicContact CG-CG 3.83Å; A435-L439 PolarHBondContact O-N 2.99Å; P436-L439 PolarHBondContact O-N 2.92Å; L439-Q441 VanDerWaalsContact C-N 3.32Å; L439-Q441 PolarHBondContact O-N 3.36Å; L439-A442 PolarHBondContact O-N 3.07Å; L439-L443 WeakPolarHBondContact O-CG 3.49Å; L439-L443 PolarHBondContact O-N 3.01Å
440	M	93.5	Very high	93.2	Very high	117 Å²	117	39.3 Å²	39.3	58%	0.576	21%	0.21	S	C	*	.	H	α-helix	trans	-61.4	-42.4	177.4	-74	-174.2	-64.8	0	0	111.4	P436 E437 A442 L443 E444	P436-M440 HydrophobicContact CB-CE 4.35Å; P436-M440 WeakPolarHBondContact O-CB 3.39Å; P436-M440 VanDerWaalsContact O-CG 3.32Å; P436-M440 WeakPolarHBondContact O-CG 3.44Å; P436-M440 PolarHBondContact O-N 3.34Å; E437-M440 HydrophobicContact CG-CE 4.25Å; M440-A442 VanDerWaalsContact C-N 3.34Å; M440-L443 PolarHBondContact O-N 3.36Å; M440-E444 WeakPolarHBondContact O-CB 3.14Å; M440-E444 PolarHBondContact O-N 3.09Å
441	Q	93.8	Very high	93.5	Very high	9 Å²	9	38.8 Å²	38.8	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-42.1	176.7	-173	-74.1	-18.3	0	0	111.1	Y350 P352 R355 E437 L439 L443 E444 D445	Y350-Q441 PolarHBondContact OH-NE2 3.4Å; Y350-Q441 VanDerWaalsContact OH-NE2 3.08Å; Y350-Q441 PolarHBondContact OH-OE1 3.38Å; P352-Q441 HydrophobicContact CB-CB 3.88Å; P352-Q441 HydrophobicContact CB-CG 4.09Å; R355-Q441 HydrophobicContact CG-CG 4.3Å; E437-Q441 WeakPolarHBondContact O-CB 3.29Å; E437-Q441 PolarHBondContact O-N 3.13Å; L439-Q441 VanDerWaalsContact C-N 3.32Å; L439-Q441 PolarHBondContact O-N 3.36Å; Q441-L443 VanDerWaalsContact C-N 3.32Å; Q441-L443 PolarHBondContact O-N 3.43Å; Q441-E444 WeakPolarHBondContact O-CB 3.38Å; Q441-E444 PolarHBondContact O-N 3.41Å; Q441-E444 VanDerWaalsContact O-N 3.15Å; Q441-D445 PolarHBondContact NE2-OD1 2.92Å; Q441-D445 PolarHBondContact NE2-OD2 3.07Å; Q441-D445 PolarHBondContact O-N 2.91Å
442	A	95.5	Very high	93.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-39.1	179.4	0	0	0	0	0	111.6	L410 V414 A438 L439 M440 L446	L410-A442 HydrophobicContact CB-CB 4.16Å; V414-A442 HydrophobicContact CB-CB 4.27Å; V414-A442 HydrophobicContact CG2-CB 3.75Å; A438-A442 WeakPolarHBondContact O-CB 3.38Å; A438-A442 PolarHBondContact O-N 2.93Å; L439-A442 PolarHBondContact O-N 3.07Å; M440-A442 VanDerWaalsContact C-N 3.34Å; A442-L446 VanDerWaalsContact O-CG 3.28Å; A442-L446 WeakPolarHBondContact O-CG 3.45Å; A442-L446 PolarHBondContact O-N 2.83Å; A442-L446 VanDerWaalsContact O-N 3.12Å
443	L	95	Very high	93.8	Very high	47 Å²	47	39.6 Å²	39.6	25%	0.246	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-44.1	171.3	-72.3	166.7	0	0	0	111.5	V414 P425 L439 M440 Q441 D445 L446 D447 L452	V414-L443 HydrophobicContact CG1-CD2 3.61Å; V414-L443 HydrophobicContact CG1-CG 4.09Å; P425-L443 HydrophobicContact CG-CD2 4.18Å; L439-L443 WeakPolarHBondContact O-CG 3.49Å; L439-L443 PolarHBondContact O-N 3.01Å; M440-L443 PolarHBondContact O-N 3.36Å; Q441-L443 VanDerWaalsContact C-N 3.32Å; Q441-L443 PolarHBondContact O-N 3.43Å; L443-D445 PolarHBondContact O-N 3.12Å; L443-L446 PolarHBondContact O-N 3.31Å; L443-D447 WeakPolarHBondContact O-CB 3.42Å; L443-D447 PolarHBondContact O-N 3.39Å; L443-L452 HydrophobicContact CD2-CD1 3.82Å
444	E	93.1	Very high	93.7	Very high	71 Å²	71	42.9 Å²	42.9	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-42.4	178	-159	-161.3	164.3	0	0	111.9	R355 M440 Q441 D447 Y448	R355-E444 IonicContact CZ-OE2 2.73Å; R355-E444 IonicContact NH2-OE1 3.47Å; R355-E444 PolarHBondContact NH2-OE1 3.01Å; R355-E444 IonicContact NH2-OE2 3.36Å; R355-E444 PolarHBondContact NH2-OE2 3.11Å; M440-E444 WeakPolarHBondContact O-CB 3.14Å; M440-E444 PolarHBondContact O-N 3.09Å; Q441-E444 WeakPolarHBondContact O-CB 3.38Å; Q441-E444 PolarHBondContact O-N 3.41Å; Q441-E444 VanDerWaalsContact O-N 3.15Å; E444-D447 PolarHBondContact O-N 3.16Å; E444-Y448 HydrophobicContact CG-CD2 4.16Å; E444-Y448 HydrophobicContact CG-CE2 3.51Å; E444-Y448 WeakPolarHBondContact O-CD2 3.49Å; E444-Y448 PolarHBondContact O-N 2.97Å; E444-Y448 WeakPolarHBondContact OE1-CE2 3.15Å; E444-Y448 VanDerWaalsContact OE1-CZ 3.32Å; E444-Y448 PolarHBondContact OE1-OH 3.43Å
445	D	92.9	Very high	93.5	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-42.8	175.8	-83.8	3.2	0	0	0	111.8	R355 Q441 L443 Y448 L449 L601	R355-D445 IonicContact CZ-OD1 3.14Å; R355-D445 VanDerWaalsContact CZ-OD1 3.29Å; R355-D445 IonicContact NE-OD1 2.64Å; R355-D445 IonicContact NH1-OD1 2.89Å; R355-D445 PolarHBondContact NH1-OD1 3.34Å; Q441-D445 PolarHBondContact NE2-OD1 2.92Å; Q441-D445 PolarHBondContact NE2-OD2 3.07Å; Q441-D445 PolarHBondContact O-N 2.91Å; L443-D445 PolarHBondContact O-N 3.12Å; D445-Y448 PolarHBondContact O-N 3.44Å; D445-L449 VanDerWaalsContact O-CG 3.23Å; D445-L449 WeakPolarHBondContact O-CG 3.44Å; D445-L449 PolarHBondContact O-N 3.23Å; D445-L449 VanDerWaalsContact O-N 3.08Å; D445-L601 HydrophobicContact CB-CD1 4.47Å
446	L	95.8	Very high	93.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.6	-37.4	178.7	-70.2	175.6	0	0	0	112.3	V414 L415 A442 L443 L449 A450 A451 L452 P472	V414-L446 HydrophobicContact CB-CD1 3.99Å; V414-L446 HydrophobicContact CG1-CD1 3.68Å; L415-L446 HydrophobicContact CB-CD1 4.03Å; L415-L446 HydrophobicContact CB-CD2 4.16Å; L415-L446 HydrophobicContact CD1-CD2 4.23Å; A442-L446 VanDerWaalsContact O-CG 3.28Å; A442-L446 WeakPolarHBondContact O-CG 3.45Å; A442-L446 PolarHBondContact O-N 2.83Å; A442-L446 VanDerWaalsContact O-N 3.12Å; L443-L446 PolarHBondContact O-N 3.31Å; L446-L449 PolarHBondContact O-N 2.67Å; L446-A450 PolarHBondContact O-N 2.71Å; L446-A451 HydrophobicContact CB-CB 4.15Å; L446-A451 HydrophobicContact CD2-CB 4.05Å; L446-A451 WeakPolarHBondContact O-CB 3.45Å; L446-A451 PolarHBondContact O-N 3.48Å; L446-L452 HydrophobicContact CB-CD1 3.94Å; L446-L452 HydrophobicContact CB-CG 3.93Å; L446-P472 HydrophobicContact CD2-CB 3.92Å; L446-P472 HydrophobicContact CD2-CG 4.02Å
447	D	94.7	Very high	93.2	Very high	79 Å²	79	48.5 Å²	48.5	42%	0.422	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-50.3	171.3	178.7	71.1	0	0	0	111	L443 E444 L449 A450	L443-D447 WeakPolarHBondContact O-CB 3.42Å; L443-D447 PolarHBondContact O-N 3.39Å; E444-D447 PolarHBondContact O-N 3.16Å; D447-L449 PolarHBondContact O-N 2.91Å; D447-A450 WeakPolarHBondContact O-CA 3.46Å; D447-A450 PolarHBondContact O-N 3.27Å
448	Y	92.6	Very high	93.2	Very high	51 Å²	51	45.4 Å²	45.4	20%	0.2	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-31.8	176.2	-72.2	-49.9	0	0	0	113.6	E444 D445 A450 F600 L601 Y674 N678	E444-Y448 HydrophobicContact CG-CD2 4.16Å; E444-Y448 HydrophobicContact CG-CE2 3.51Å; E444-Y448 WeakPolarHBondContact O-CD2 3.49Å; E444-Y448 PolarHBondContact O-N 2.97Å; E444-Y448 WeakPolarHBondContact OE1-CE2 3.15Å; E444-Y448 VanDerWaalsContact OE1-CZ 3.32Å; E444-Y448 PolarHBondContact OE1-OH 3.43Å; D445-Y448 PolarHBondContact O-N 3.44Å; Y448-A450 PolarHBondContact O-N 3.04Å; Y448-F600 WeakPolarHBondContact O-CZ 3.42Å; Y448-L601 HydrophobicContact CD2-CD2 4.06Å; Y448-L601 HydrophobicContact CG-CD2 4.44Å; Y448-Y674 AromaticContact CD1-CD2 3.9Å; Y448-Y674 HydrophobicContact CD1-CD2 3.9Å; Y448-Y674 HydrophobicContact CD2-CD2 4.18Å; Y448-Y674 HydrophobicContact CD2-CE2 4.14Å; Y448-Y674 AromaticContact CE1-CD2 3.65Å; Y448-Y674 HydrophobicContact CE1-CD2 3.65Å; Y448-Y674 HydrophobicContact CE1-CE2 4.31Å; Y448-Y674 AromaticContact CE2-CD2 3.93Å; Y448-Y674 HydrophobicContact CE2-CD2 3.93Å; Y448-Y674 AromaticContact CE2-CE2 3.76Å; Y448-Y674 HydrophobicContact CE2-CE2 3.76Å; Y448-Y674 HydrophobicContact CG-CD2 4.18Å; Y448-Y674 AromaticContact CZ-CD2 3.69Å; Y448-Y674 AromaticContact CZ-CE2 3.88Å; Y448-N678 PolarHBondContact OH-ND2 3.28Å
449	L	94.4	Very high	93.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.7	176.1	-67.7	169.7	0	0	0	113.1	D445 L446 D447 A451 L461 P472 E473 K476 F600	D445-L449 VanDerWaalsContact O-CG 3.23Å; D445-L449 WeakPolarHBondContact O-CG 3.44Å; D445-L449 PolarHBondContact O-N 3.23Å; D445-L449 VanDerWaalsContact O-N 3.08Å; L446-L449 PolarHBondContact O-N 2.67Å; D447-L449 PolarHBondContact O-N 2.91Å; L449-A451 PolarHBondContact O-N 3.42Å; L449-L461 WeakPolarHBondContact O-CD2 3.32Å; L449-P472 HydrophobicContact CD1-CB 3.73Å; L449-E473 HydrophobicContact CD1-CG 4.24Å; L449-K476 HydrophobicContact CD2-CB 4.06Å; L449-K476 HydrophobicContact CD2-CG 4.02Å; L449-K476 PolarHBondContact O-NZ 2.84Å; L449-K476 VanDerWaalsContact O-NZ 3.09Å; L449-F600 HydrophobicContact CD2-CE1 4.02Å; L449-F600 HydrophobicContact CD2-CZ 4.43Å
450	A	94.4	Very high	93.2	Very high	13 Å²	13	51.5 Å²	51.5	11%	0.107	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	26.5	-170.1	0	0	0	0	0	112.9	L446 D447 Y448 L452 S459 L461 Q717	L446-A450 PolarHBondContact O-N 2.71Å; D447-A450 WeakPolarHBondContact O-CA 3.46Å; D447-A450 PolarHBondContact O-N 3.27Å; Y448-A450 PolarHBondContact O-N 3.04Å; A450-L452 VanDerWaalsContact C-N 3.27Å; A450-S459 PolarHBondContact O-OG 3.41Å; A450-L461 HydrophobicContact CB-CD2 4.05Å; A450-Q717 WeakPolarHBondContact CB-OXT 3.31Å
451	A	96.2	Very high	93.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	S	.	.			trans	-77.2	-20.3	173.3	0	0	0	0	0	111.7	L415 L446 L449 L458 S459 G462 L465	L415-A451 HydrophobicContact CD1-CB 4.3Å; L446-A451 HydrophobicContact CB-CB 4.15Å; L446-A451 HydrophobicContact CD2-CB 4.05Å; L446-A451 WeakPolarHBondContact O-CB 3.45Å; L446-A451 PolarHBondContact O-N 3.48Å; L449-A451 PolarHBondContact O-N 3.42Å; A451-L458 WeakPolarHBondContact O-CD1 3.3Å; A451-S459 PolarHBondContact O-N 3Å; A451-S459 PolarHBondContact O-OG 3.09Å; A451-G462 WeakPolarHBondContact O-CA 3.43Å; A451-L465 HydrophobicContact CB-CD1 3.73Å
452	L	95.6	Very high	93.4	Very high	12 Å²	12	46 Å²	46	6%	0.063	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-112.5	152.2	173.6	-53.9	177.5	0	0	0	109.8	K418 L443 L446 A450 D457 L458	K418-L452 HydrophobicContact CD-CD2 4.42Å; K418-L452 HydrophobicContact CG-CD2 4.18Å; L443-L452 HydrophobicContact CD2-CD1 3.82Å; L446-L452 HydrophobicContact CB-CD1 3.94Å; L446-L452 HydrophobicContact CB-CG 3.93Å; A450-L452 VanDerWaalsContact C-N 3.27Å; L452-D457 CarbonylContact C-O 3.59Å; L452-D457 WeakPolarHBondContact CA-O 3.46Å; L452-L458 HydrophobicContact CD2-CD1 4.41Å
453	D	92.6	Very high	93.2	Very high	62 Å²	62	48.6 Å²	48.6	33%	0.332	26%	0.262	S	S	.	.			trans	-90	179.4	169.4	64.7	22.9	0	0	0	112	D455 G456 D457	D453-D455 PolarHBondContact O-N 2.87Å; D453-D455 VanDerWaalsContact O-N 3.16Å; D453-D455 WeakPolarHBondContact OD1-CA 3.37Å; D453-D455 PolarHBondContact OD1-N 2.98Å; D453-G456 WeakPolarHBondContact O-CA 3.46Å; D453-G456 PolarHBondContact O-N 2.93Å; D453-G456 PolarHBondContact OD1-N 2.98Å; D453-D457 PolarHBondContact N-O 3.49Å; D453-D457 PolarHBondContact OD1-N 3.34Å
454	D	88.3	Confident	93.1	Very high	170 Å²	170	48.4 Å²	48.4	91%	0.909	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.4	-179	-70.3	-28.7	0	0	0	113.7	G456	D454-G456 VanDerWaalsContact C-N 3.32Å
455	D	88.3	Confident	93.2	Very high	145 Å²	145	45.1 Å²	45.1	78%	0.775	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.8	176.4	-69.7	-45.6	0	0	0	111.7	D453 D457	D453-D455 PolarHBondContact O-N 2.87Å; D453-D455 VanDerWaalsContact O-N 3.16Å; D453-D455 WeakPolarHBondContact OD1-CA 3.37Å; D453-D455 PolarHBondContact OD1-N 2.98Å; D455-D457 VanDerWaalsContact C-N 3.34Å
456	G	87.9	Confident	93.2	Very high	22 Å²	22	45.4 Å²	45.4	23%	0.227	25%	0.248	C	C	.	.	S	Bend	trans	81.5	11.5	-177.9	0	0	0	0	0	113.6	K418 D453 D454	K418-G456 VanDerWaalsContact CE-O 3.31Å; K418-G456 WeakPolarHBondContact CE-O 3.36Å; K418-G456 PolarHBondContact NZ-O 2.69Å; D453-G456 WeakPolarHBondContact O-CA 3.46Å; D453-G456 PolarHBondContact O-N 2.93Å; D453-G456 PolarHBondContact OD1-N 2.98Å; D454-G456 VanDerWaalsContact C-N 3.32Å
457	D	91.1	Very high	92.9	Very high	88 Å²	88	47 Å²	47	47%	0.471	26%	0.255	S	S	.	.	S	Bend	trans	-85.8	167.5	174.1	-78.3	-34.2	0	0	0	111	L452 D453 D455 S459	L452-D457 CarbonylContact C-O 3.59Å; L452-D457 WeakPolarHBondContact CA-O 3.46Å; D453-D457 PolarHBondContact N-O 3.49Å; D453-D457 PolarHBondContact OD1-N 3.34Å; D455-D457 VanDerWaalsContact C-N 3.34Å; D457-S459 PolarHBondContact O-N 2.65Å
458	L	93.4	Very high	92.7	Very high	30 Å²	30	43.5 Å²	43.5	16%	0.157	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-74.4	119.4	-176	-164.7	73.1	0	0	0	110.5	L415 K418 R419 A451 L452 I463	L415-L458 HydrophobicContact CD1-CD1 3.56Å; K418-L458 HydrophobicContact CB-CD1 4.22Å; R419-L458 HydrophobicContact CB-CD2 4.07Å; A451-L458 WeakPolarHBondContact O-CD1 3.3Å; L452-L458 HydrophobicContact CD2-CD1 4.41Å; L458-I463 HydrophobicContact CD2-CB 4.35Å; L458-I463 HydrophobicContact CD2-CG1 3.6Å; L458-I463 HydrophobicContact CG-CG1 4.02Å
459	S	95.8	Very high	92.5	Very high	21 Å²	21	43.7 Å²	43.7	15%	0.147	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-71.1	168.2	176.5	75.7	0	0	0	0	112	A450 A451 D457 L461 G462 I463	A450-S459 PolarHBondContact O-OG 3.41Å; A451-S459 PolarHBondContact O-N 3Å; A451-S459 PolarHBondContact O-OG 3.09Å; D457-S459 PolarHBondContact O-N 2.65Å; S459-L461 PolarHBondContact O-N 2.78Å; S459-L461 PolarHBondContact OG-N 2.95Å; S459-G462 WeakPolarHBondContact O-CA 3.48Å; S459-G462 PolarHBondContact O-N 2.91Å; S459-G462 PolarHBondContact OG-N 3.33Å; S459-I463 WeakPolarHBondContact O-CG1 3.24Å; S459-I463 PolarHBondContact O-N 2.84Å
460	D	93.4	Very high	92.4	Very high	137 Å²	137	44.4 Å²	44.4	73%	0.733	25%	0.248	S	C	*	.	H	α-helix	trans	-56.6	-37.7	172.8	-74.6	-30.7	0	0	0	111.8	I463 I464	D460-I463 WeakPolarHBondContact O-CB 3.32Å; D460-I463 PolarHBondContact O-N 3.29Å; D460-I464 WeakPolarHBondContact O-CG1 3.25Å; D460-I464 PolarHBondContact O-N 3.09Å
461	L	94.6	Very high	92.3	Very high	11 Å²	11	46 Å²	46	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-46.8	172.6	173.3	64.6	0	0	0	111.2	L449 A450 S459 I463 I464 L465 K476 L479 L716	L449-L461 WeakPolarHBondContact O-CD2 3.32Å; A450-L461 HydrophobicContact CB-CD2 4.05Å; S459-L461 PolarHBondContact O-N 2.78Å; S459-L461 PolarHBondContact OG-N 2.95Å; L461-I463 PolarHBondContact O-N 2.9Å; L461-I464 PolarHBondContact O-N 2.89Å; L461-L465 HydrophobicContact CD1-CD1 4.3Å; L461-L465 HydrophobicContact CD1-CD2 4.42Å; L461-L465 HydrophobicContact CD1-CG 4.05Å; L461-L465 HydrophobicContact CD2-CD1 4.45Å; L461-L465 HydrophobicContact CG-CD1 3.93Å; L461-L465 HydrophobicContact CG-CG 4.15Å; L461-L465 VanDerWaalsContact O-CG 3.3Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.28Å; L461-K476 HydrophobicContact CD2-CD 3.81Å; L461-L479 HydrophobicContact CD1-CD1 3.42Å; L461-L479 VanDerWaalsContact CD1-CD1 3.42Å; L461-L716 HydrophobicContact CD1-CD2 4.4Å
462	G	94.9	Very high	92.3	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-38.5	176.7	0	0	0	0	0	112.9	A451 S459 L465 S466	A451-G462 WeakPolarHBondContact O-CA 3.43Å; S459-G462 WeakPolarHBondContact O-CA 3.48Å; S459-G462 PolarHBondContact O-N 2.91Å; S459-G462 PolarHBondContact OG-N 3.33Å; G462-L465 PolarHBondContact O-N 2.98Å; G462-S466 WeakPolarHBondContact O-CB 3.36Å; G462-S466 PolarHBondContact O-N 3.11Å
463	I	92.6	Very high	92.2	Very high	55 Å²	55	46.3 Å²	46.3	28%	0.282	26%	0.262	S	S	.	.	H	α-helix	trans	-57.8	-50.6	172.5	-72.3	172.9	0	0	0	110.4	L458 S459 D460 L461 S466	L458-I463 HydrophobicContact CD2-CB 4.35Å; L458-I463 HydrophobicContact CD2-CG1 3.6Å; L458-I463 HydrophobicContact CG-CG1 4.02Å; S459-I463 WeakPolarHBondContact O-CG1 3.24Å; S459-I463 PolarHBondContact O-N 2.84Å; D460-I463 WeakPolarHBondContact O-CB 3.32Å; D460-I463 PolarHBondContact O-N 3.29Å; L461-I463 PolarHBondContact O-N 2.9Å; I463-S466 PolarHBondContact O-N 2.97Å; I463-S466 PolarHBondContact O-OG 3.13Å
464	I	93.3	Very high	92.4	Very high	42 Å²	42	43.5 Å²	43.5	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-45.2	-179.6	-63.9	167.6	0	0	0	110.5	D460 L461 S466 E467 F468 L479 I573	D460-I464 WeakPolarHBondContact O-CG1 3.25Å; D460-I464 PolarHBondContact O-N 3.09Å; L461-I464 PolarHBondContact O-N 2.89Å; I464-S466 PolarHBondContact O-N 3.27Å; I464-E467 WeakPolarHBondContact O-CB 3.11Å; I464-E467 PolarHBondContact O-N 2.74Å; I464-E467 VanDerWaalsContact O-N 3.08Å; I464-F468 HydrophobicContact CG2-CE2 3.83Å; I464-F468 VanDerWaalsContact O-CD2 3.28Å; I464-F468 WeakPolarHBondContact O-CD2 3.3Å; I464-L479 HydrophobicContact CB-CD1 4.29Å; I464-L479 HydrophobicContact CG2-CD1 3.69Å; I464-L479 HydrophobicContact CG2-CD2 3.76Å; I464-L479 HydrophobicContact CG2-CG 4.38Å; I464-I573 HydrophobicContact CG2-CG2 4.49Å
465	L	94.6	Very high	92.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-55.1	-41.2	177.5	-70.3	174.1	0	0	0	111.7	L415 A451 L461 G462 E467 F468 A475 K476 L479	L415-L465 HydrophobicContact CD2-CB 4.17Å; A451-L465 HydrophobicContact CB-CD1 3.73Å; L461-L465 HydrophobicContact CD1-CD1 4.3Å; L461-L465 HydrophobicContact CD1-CD2 4.42Å; L461-L465 HydrophobicContact CD1-CG 4.05Å; L461-L465 HydrophobicContact CD2-CD1 4.45Å; L461-L465 HydrophobicContact CG-CD1 3.93Å; L461-L465 HydrophobicContact CG-CG 4.15Å; L461-L465 VanDerWaalsContact O-CG 3.3Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.28Å; G462-L465 PolarHBondContact O-N 2.98Å; L465-E467 PolarHBondContact O-N 3.31Å; L465-F468 PolarHBondContact O-N 3.27Å; L465-F468 VanDerWaalsContact O-N 3.17Å; L465-A475 VanDerWaalsContact CD2-C 3.45Å; L465-A475 HydrophobicContact CD2-CB 3.49Å; L465-A475 VanDerWaalsContact CD2-CB 3.49Å; L465-K476 HydrophobicContact CD2-CB 4.14Å; L465-K476 VanDerWaalsContact CD2-N 3.28Å; L465-L479 HydrophobicContact CD2-CD1 3.54Å; L465-L479 HydrophobicContact CD2-CG 4.46Å; L465-L479 HydrophobicContact CG-CD1 4.02Å
466	S	92.2	Very high	93.2	Very high	12 Å²	12	29.3 Å²	29.3	8%	0.084	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17	-179.1	77	0	0	0	0	114.6	R419 G462 I463 I464	R419-S466 VanDerWaalsContact CD-OG 3.26Å; R419-S466 WeakPolarHBondContact CD-OG 3.39Å; R419-S466 PolarHBondContact NE-OG 3.42Å; G462-S466 WeakPolarHBondContact O-CB 3.36Å; G462-S466 PolarHBondContact O-N 3.11Å; I463-S466 PolarHBondContact O-N 2.97Å; I463-S466 PolarHBondContact O-OG 3.13Å; I464-S466 PolarHBondContact O-N 3.27Å
467	E	89.9	Confident	93.7	Very high	33 Å²	33	28.2 Å²	28.2	15%	0.154	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-17.3	177.8	-61.1	-71.3	143.3	0	0	112.6	R419 I464 L465 L569 I573	R419-E467 IonicContact CZ-OE1 3.41Å; R419-E467 IonicContact NE-OE1 2.93Å; R419-E467 IonicContact NH2-OE1 2.98Å; R419-E467 PolarHBondContact NH2-OE1 3.08Å; I464-E467 WeakPolarHBondContact O-CB 3.11Å; I464-E467 PolarHBondContact O-N 2.74Å; I464-E467 VanDerWaalsContact O-N 3.08Å; L465-E467 PolarHBondContact O-N 3.31Å; E467-L569 WeakPolarHBondContact O-CD2 3.42Å; E467-I573 HydrophobicContact CB-CD1 4.07Å
468	F	90.9	Very high	94	Very high	5 Å²	5	24 Å²	24	2%	0.022	14%	0.137	C	C	.	.	S	Bend	trans	-85.5	135.1	179.8	-73.2	-89.4	0	0	0	111.4	I464 L465 L470 A475 L478 L479 L566 L569 M570 I573 L575	I464-F468 HydrophobicContact CG2-CE2 3.83Å; I464-F468 VanDerWaalsContact O-CD2 3.28Å; I464-F468 WeakPolarHBondContact O-CD2 3.3Å; L465-F468 PolarHBondContact O-N 3.27Å; L465-F468 VanDerWaalsContact O-N 3.17Å; F468-L470 HydrophobicContact CB-CB 4.33Å; F468-L470 HydrophobicContact CB-CD1 4.35Å; F468-L470 HydrophobicContact CB-CG 4.29Å; F468-L470 HydrophobicContact CD1-CD1 4.27Å; F468-L470 PolarHBondContact O-N 3.29Å; F468-A475 HydrophobicContact CB-CB 4.07Å; F468-A475 HydrophobicContact CG-CB 4.44Å; F468-L478 HydrophobicContact CD1-CD2 4.12Å; F468-L478 HydrophobicContact CE1-CD2 3.81Å; F468-L479 HydrophobicContact CE2-CD2 3.87Å; F468-L479 HydrophobicContact CE2-CG 4.41Å; F468-L479 HydrophobicContact CZ-CD2 4.09Å; F468-L566 HydrophobicContact CD1-CD2 3.9Å; F468-L566 HydrophobicContact CE1-CD2 4.47Å; F468-L569 HydrophobicContact CB-CD2 4.48Å; F468-L569 HydrophobicContact CD1-CD2 3.49Å; F468-L569 VanDerWaalsContact CD1-CD2 3.49Å; F468-L569 HydrophobicContact CD1-CG 4.43Å; F468-L569 HydrophobicContact CE1-CD2 3.71Å; F468-L569 HydrophobicContact CE1-CG 4.17Å; F468-L569 HydrophobicContact CG-CD2 3.94Å; F468-L569 HydrophobicContact CZ-CD2 4.31Å; F468-L569 HydrophobicContact CZ-CG 4.49Å; F468-M570 HydrophobicContact CE1-CG 3.91Å; F468-M570 HydrophobicContact CZ-CG 3.95Å; F468-I573 HydrophobicContact CE2-CD1 4.4Å; F468-L575 HydrophobicContact CE2-CD1 4.42Å; F468-L575 HydrophobicContact CZ-CD1 3.95Å
469	P	88.3	Confident	94.2	Very high	56 Å²	56	22.9 Å²	22.9	36%	0.364	13%	0.13	S	C	.	.	S	Bend	trans	-79.7	46.7	173.5	35.8	-37	0	0	0	111.4	L566	P469-L566 HydrophobicContact CG-CD2 4.33Å
470	L	92.2	Very high	94.2	Very high	17 Å²	17	22 Å²	22	9%	0.089	13%	0.125	C	C	.	.	S	Bend	trans	-128.5	160.8	-174.9	-59.2	176.1	0	0	0	110.2	F468 L474 A475 L478 A494 T498 L566	F468-L470 HydrophobicContact CB-CB 4.33Å; F468-L470 HydrophobicContact CB-CD1 4.35Å; F468-L470 HydrophobicContact CB-CG 4.29Å; F468-L470 HydrophobicContact CD1-CD1 4.27Å; F468-L470 PolarHBondContact O-N 3.29Å; L470-L474 HydrophobicContact CB-CB 4.42Å; L470-L474 HydrophobicContact CD1-CG 4.35Å; L470-L474 HydrophobicContact CD2-CD2 4.11Å; L470-A475 HydrophobicContact CB-CB 4.22Å; L470-L478 HydrophobicContact CD1-CD2 4.04Å; L470-A494 HydrophobicContact CD1-CB 4.25Å; L470-T498 HydrophobicContact CD2-CG2 4.38Å; L470-T498 VanDerWaalsContact CD2-OG1 3.24Å; L470-T498 WeakPolarHBondContact CD2-OG1 3.4Å; L470-L566 HydrophobicContact CD1-CD1 4.25Å; L470-L566 HydrophobicContact CD1-CD2 3.91Å; L470-L566 HydrophobicContact CD2-CD1 4.32Å; L470-L566 HydrophobicContact CD2-CD2 4.36Å; L470-L566 HydrophobicContact CG-CD2 4.12Å
471	A	92.1	Very high	94.4	Very high	45 Å²	45	15.5 Å²	15.5	37%	0.372	9%	0.09	S	C	.	.			trans	-60.3	143.5	166.7	0	0	0	0	0	110.1	E473 L474 A475	A471-E473 PolarHBondContact O-N 3.07Å; A471-E473 VanDerWaalsContact O-N 3.16Å; A471-L474 PolarHBondContact O-N 2.8Å; A471-A475 PolarHBondContact O-N 2.79Å
472	P	95.6	Very high	94.4	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.013	9%	0.093	C	C	.	.	H	α-helix	trans	-52.3	-39.3	-176.5	-28.9	35.5	0	0	0	114.1	S412 L415 L446 L449 A475 K476	S412-P472 WeakPolarHBondContact OG-CD 3.26Å; L415-P472 HydrophobicContact CD2-CG 4.19Å; L446-P472 HydrophobicContact CD2-CB 3.92Å; L446-P472 HydrophobicContact CD2-CG 4.02Å; L449-P472 HydrophobicContact CD1-CB 3.73Å; P472-A475 PolarHBondContact O-N 3.02Å; P472-K476 WeakPolarHBondContact O-CB 2.97Å; P472-K476 PolarHBondContact O-N 2.79Å
473	E	95.3	Very high	94.4	Very high	17 Å²	17	19.2 Å²	19.2	8%	0.079	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-42.3	177.8	-55.8	94.3	138.6	0	0	111.7	L449 A471 K476 A477 G598 Y599	L449-E473 HydrophobicContact CD1-CG 4.24Å; A471-E473 PolarHBondContact O-N 3.07Å; A471-E473 VanDerWaalsContact O-N 3.16Å; E473-K476 PolarHBondContact O-N 3.37Å; E473-A477 PolarHBondContact O-N 2.75Å; E473-G598 WeakPolarHBondContact CB-O 3.48Å; E473-G598 WeakPolarHBondContact O-CA 3.22Å; E473-Y599 HydrophobicContact CB-CD1 4.43Å; E473-Y599 HydrophobicContact CB-CE1 4.23Å; E473-Y599 HydrophobicContact CB-CE2 4.48Å
474	L	96.3	Very high	94.6	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-72.5	-40	179.2	-172.2	54	0	0	0	111.6	L470 A471 K476 A477 L478 M490 A494 L497 Y599	L470-L474 HydrophobicContact CB-CB 4.42Å; L470-L474 HydrophobicContact CD1-CG 4.35Å; L470-L474 HydrophobicContact CD2-CD2 4.11Å; A471-L474 PolarHBondContact O-N 2.8Å; L474-K476 VanDerWaalsContact C-N 3.34Å; L474-A477 PolarHBondContact O-N 2.73Å; L474-L478 WeakPolarHBondContact O-CB 3.47Å; L474-L478 PolarHBondContact O-N 2.68Å; L474-M490 HydrophobicContact CD1-CE 3.55Å; L474-A494 HydrophobicContact CD1-CB 3.97Å; L474-A494 HydrophobicContact CD2-CB 4.14Å; L474-A494 HydrophobicContact CG-CB 4.01Å; L474-L497 HydrophobicContact CD1-CD1 3.81Å; L474-L497 HydrophobicContact CD2-CB 4.21Å; L474-Y599 HydrophobicContact CB-CE2 4.41Å; L474-Y599 WeakPolarHBondContact CB-OH 3.39Å; L474-Y599 HydrophobicContact CD1-CE2 4.02Å; L474-Y599 WeakPolarHBondContact CD1-OH 3.41Å
475	A	96.4	Very high	94.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-42.5	173.2	0	0	0	0	0	110.8	L465 F468 L470 A471 P472 L478 L479	L465-A475 VanDerWaalsContact CD2-C 3.45Å; L465-A475 HydrophobicContact CD2-CB 3.49Å; L465-A475 VanDerWaalsContact CD2-CB 3.49Å; F468-A475 HydrophobicContact CB-CB 4.07Å; F468-A475 HydrophobicContact CG-CB 4.44Å; L470-A475 HydrophobicContact CB-CB 4.22Å; A471-A475 PolarHBondContact O-N 2.79Å; P472-A475 PolarHBondContact O-N 3.02Å; A475-L478 PolarHBondContact O-N 2.9Å; A475-L479 WeakPolarHBondContact O-CG 3.33Å; A475-L479 PolarHBondContact O-N 3.05Å
476	K	97.3	Very high	94.7	Very high	16 Å²	16	21.4 Å²	21.4	7%	0.07	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-44.4	174.6	179	71.8	178.2	-160.2	0	111.7	L449 L461 L465 P472 E473 L474 L478 L479 A480 S597 L716	L449-K476 HydrophobicContact CD2-CB 4.06Å; L449-K476 HydrophobicContact CD2-CG 4.02Å; L449-K476 PolarHBondContact O-NZ 2.84Å; L449-K476 VanDerWaalsContact O-NZ 3.09Å; L461-K476 HydrophobicContact CD2-CD 3.81Å; L465-K476 HydrophobicContact CD2-CB 4.14Å; L465-K476 VanDerWaalsContact CD2-N 3.28Å; P472-K476 WeakPolarHBondContact O-CB 2.97Å; P472-K476 PolarHBondContact O-N 2.79Å; E473-K476 PolarHBondContact O-N 3.37Å; L474-K476 VanDerWaalsContact C-N 3.34Å; K476-L478 VanDerWaalsContact C-N 3.33Å; K476-L478 PolarHBondContact O-N 3.08Å; K476-L479 PolarHBondContact O-N 3.48Å; K476-A480 WeakPolarHBondContact O-CB 3.44Å; K476-A480 PolarHBondContact O-N 3.21Å; K476-S597 WeakPolarHBondContact CG-O 3.49Å; K476-L716 PolarHBondContact NZ-O 3.04Å
477	A	97.4	Very high	94.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-41.3	176.1	0	0	0	0	0	112.1	E473 L474 A480 S481 M490 A594 Y599	E473-A477 PolarHBondContact O-N 2.75Å; L474-A477 PolarHBondContact O-N 2.73Å; A477-A480 PolarHBondContact O-N 2.88Å; A477-S481 PolarHBondContact O-N 3.4Å; A477-M490 HydrophobicContact CB-CE 4.12Å; A477-M490 HydrophobicContact CB-SD 4.23Å; A477-A594 WeakPolarHBondContact CA-O 3.45Å; A477-A594 WeakPolarHBondContact CB-O 3.45Å; A477-Y599 HydrophobicContact CB-CD2 4.26Å; A477-Y599 HydrophobicContact CB-CE2 4.21Å
478	L	97.6	Very high	95.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-41.8	175.4	-176.9	61	0	0	0	111.9	F468 L470 L474 A475 K476 S481 M490 L491 M570	F468-L478 HydrophobicContact CD1-CD2 4.12Å; F468-L478 HydrophobicContact CE1-CD2 3.81Å; L470-L478 HydrophobicContact CD1-CD2 4.04Å; L474-L478 WeakPolarHBondContact O-CB 3.47Å; L474-L478 PolarHBondContact O-N 2.68Å; A475-L478 PolarHBondContact O-N 2.9Å; K476-L478 VanDerWaalsContact C-N 3.33Å; K476-L478 PolarHBondContact O-N 3.08Å; L478-S481 WeakPolarHBondContact O-CB 3.44Å; L478-S481 PolarHBondContact O-N 2.9Å; L478-S481 PolarHBondContact O-OG 2.68Å; L478-M490 HydrophobicContact CB-CG 4.44Å; L478-M490 HydrophobicContact CD1-CB 4.25Å; L478-M490 HydrophobicContact CD1-CG 4.14Å; L478-L491 HydrophobicContact CD1-CB 4.14Å; L478-L491 HydrophobicContact CD1-CD1 4.16Å; L478-L491 HydrophobicContact CD2-CD1 4.33Å; L478-M570 HydrophobicContact CD1-SD 4.07Å; L478-M570 HydrophobicContact CD2-SD 4.11Å; L478-M570 HydrophobicContact CG-SD 4.08Å
479	L	96.6	Very high	95.5	Very high	5 Å²	5	21 Å²	21	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-67	-42.3	175.3	-67.7	178.1	0	0	0	112	L461 I464 L465 F468 A475 K476 S481 C482 L575	L461-L479 HydrophobicContact CD1-CD1 3.42Å; L461-L479 VanDerWaalsContact CD1-CD1 3.42Å; I464-L479 HydrophobicContact CB-CD1 4.29Å; I464-L479 HydrophobicContact CG2-CD1 3.69Å; I464-L479 HydrophobicContact CG2-CD2 3.76Å; I464-L479 HydrophobicContact CG2-CG 4.38Å; L465-L479 HydrophobicContact CD2-CD1 3.54Å; L465-L479 HydrophobicContact CD2-CG 4.46Å; L465-L479 HydrophobicContact CG-CD1 4.02Å; F468-L479 HydrophobicContact CE2-CD2 3.87Å; F468-L479 HydrophobicContact CE2-CG 4.41Å; F468-L479 HydrophobicContact CZ-CD2 4.09Å; A475-L479 WeakPolarHBondContact O-CG 3.33Å; A475-L479 PolarHBondContact O-N 3.05Å; K476-L479 PolarHBondContact O-N 3.48Å; L479-S481 PolarHBondContact O-N 2.95Å; L479-C482 WeakPolarHBondContact O-CB 3.35Å; L479-C482 PolarHBondContact O-N 3.31Å; L479-C482 VanDerWaalsContact O-N 3.07Å; L479-C482 PolarHBondContact O-SG 3.45Å; L479-L575 HydrophobicContact CD2-CD1 3.42Å; L479-L575 VanDerWaalsContact CD2-CD1 3.42Å; L479-L575 HydrophobicContact CD2-CD2 4.29Å
480	A	96.6	Very high	96	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-61.6	-30.8	176.7	0	0	0	0	0	112.5	K476 A477 C482 E483 F484 S597	K476-A480 WeakPolarHBondContact O-CB 3.44Å; K476-A480 PolarHBondContact O-N 3.21Å; A477-A480 PolarHBondContact O-N 2.88Å; A480-C482 PolarHBondContact O-N 3.46Å; A480-C482 VanDerWaalsContact O-N 3.1Å; A480-E483 WeakPolarHBondContact O-CB 3.37Å; A480-E483 PolarHBondContact O-N 2.8Å; A480-F484 HydrophobicContact CB-CE2 4.17Å; A480-F484 WeakPolarHBondContact O-CD2 3.33Å; A480-F484 PolarHBondContact O-N 3.36Å; A480-S597 VanDerWaalsContact CB-CB 3.49Å
481	S	97.1	Very high	96.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.8	175.8	77.1	0	0	0	0	114.1	A477 L478 L479 E483 F484 D485 C486 V487	A477-S481 PolarHBondContact O-N 3.4Å; L478-S481 WeakPolarHBondContact O-CB 3.44Å; L478-S481 PolarHBondContact O-N 2.9Å; L478-S481 PolarHBondContact O-OG 2.68Å; L479-S481 PolarHBondContact O-N 2.95Å; S481-E483 VanDerWaalsContact C-N 3.3Å; S481-F484 PolarHBondContact O-N 2.81Å; S481-D485 PolarHBondContact O-N 3.45Å; S481-D485 VanDerWaalsContact O-N 3.14Å; S481-C486 PolarHBondContact O-N 2.89Å; S481-C486 VanDerWaalsContact O-N 3.14Å; S481-V487 WeakPolarHBondContact O-CG2 3.34Å; S481-V487 WeakPolarHBondContact OG-CA 3.14Å
482	C	96.2	Very high	96.4	Very high	19 Å²	19	15.6 Å²	15.6	13%	0.128	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-32.4	172.2	-66.1	0	0	0	0	112.5	L479 A480 V487 P576	L479-C482 WeakPolarHBondContact O-CB 3.35Å; L479-C482 PolarHBondContact O-N 3.31Å; L479-C482 VanDerWaalsContact O-N 3.07Å; L479-C482 PolarHBondContact O-SG 3.45Å; A480-C482 PolarHBondContact O-N 3.46Å; A480-C482 VanDerWaalsContact O-N 3.1Å; C482-V487 HydrophobicContact CB-CG2 4.43Å; C482-P576 HydrophobicContact CB-CG 3.7Å
483	E	94.6	Very high	96.4	Very high	71 Å²	71	15.5 Å²	15.5	33%	0.332	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-27.6	179	-59.6	-170.9	159.4	0	0	112.3	A480 S481 C714 L716	A480-E483 WeakPolarHBondContact O-CB 3.37Å; A480-E483 PolarHBondContact O-N 2.8Å; S481-E483 VanDerWaalsContact C-N 3.3Å; E483-C714 PolarHBondContact OE2-SG 3.41Å; E483-L716 HydrophobicContact CG-CD1 4.13Å; E483-L716 WeakPolarHBondContact OE1-CD1 3.44Å; E483-L716 VanDerWaalsContact OE1-CG 3.31Å; E483-L716 WeakPolarHBondContact OE1-CG 3.47Å
484	F	95.2	Very high	96.4	Very high	28 Å²	28	14.7 Å²	14.7	12%	0.123	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	9.1	-176.7	-52.9	-60.5	0	0	0	113.7	A480 S481 C486 D590 K593 A594 L670	A480-F484 HydrophobicContact CB-CE2 4.17Å; A480-F484 WeakPolarHBondContact O-CD2 3.33Å; A480-F484 PolarHBondContact O-N 3.36Å; S481-F484 PolarHBondContact O-N 2.81Å; F484-C486 VanDerWaalsContact C-N 3.25Å; F484-C486 PolarHBondContact O-N 3.24Å; F484-D590 HydrophobicContact CB-CB 3.89Å; F484-D590 WeakPolarHBondContact O-CB 3.42Å; F484-D590 VanDerWaalsContact O-CG 3.26Å; F484-K593 HydrophobicContact CD1-CB 4.03Å; F484-K593 HydrophobicContact CD1-CD 3.93Å; F484-K593 HydrophobicContact CD2-CB 3.9Å; F484-K593 HydrophobicContact CE1-CB 3.95Å; F484-K593 HydrophobicContact CE1-CD 3.78Å; F484-K593 HydrophobicContact CE2-CB 3.81Å; F484-K593 HydrophobicContact CG-CB 4.02Å; F484-K593 HydrophobicContact CZ-CB 3.85Å; F484-K593 HydrophobicContact CZ-CD 4.39Å; F484-A594 HydrophobicContact CD2-CB 4Å; F484-L670 HydrophobicContact CE1-CD2 4.46Å; F484-L670 HydrophobicContact CZ-CD2 3.79Å
485	D	94.6	Very high	96.3	Very high	117 Å²	117	14.5 Å²	14.5	63%	0.626	8%	0.075	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	31	178.8	-67.5	-46.2	0	0	0	114.9	S481 S578	S481-D485 PolarHBondContact O-N 3.45Å; S481-D485 VanDerWaalsContact O-N 3.14Å; D485-S578 VanDerWaalsContact C-CB 3.45Å; D485-S578 VanDerWaalsContact C-OG 3.26Å; D485-S578 WeakPolarHBondContact O-CB 3.29Å; D485-S578 PolarHBondContact O-OG 2.66Å
486	C	96.5	Very high	96.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.			trans	-121.2	31	-179.6	65.1	0	0	0	0	113.6	S481 F484 D488 E489 M490 D590	S481-C486 PolarHBondContact O-N 2.89Å; S481-C486 VanDerWaalsContact O-N 3.14Å; F484-C486 VanDerWaalsContact C-N 3.25Å; F484-C486 PolarHBondContact O-N 3.24Å; C486-D488 PolarHBondContact O-N 3.24Å; C486-E489 WeakPolarHBondContact CA-OE2 3.41Å; C486-E489 PolarHBondContact O-N 3.32Å; C486-M490 WeakPolarHBondContact O-CB 3.22Å; C486-M490 PolarHBondContact O-N 3.2Å; C486-D590 HydrophobicContact CB-CB 4.1Å; C486-D590 PolarHBondContact SG-O 3.24Å
487	V	97.1	Very high	95.9	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.024	7%	0.074	C	C	.	.	H	α-helix	trans	-60.2	-44.2	-176.8	-179.1	0	0	0	0	112.4	S481 C482 E489 M490 L491 M570 L577 S578	S481-V487 WeakPolarHBondContact O-CG2 3.34Å; S481-V487 WeakPolarHBondContact OG-CA 3.14Å; C482-V487 HydrophobicContact CB-CG2 4.43Å; V487-E489 VanDerWaalsContact C-N 3.34Å; V487-E489 PolarHBondContact O-N 3.3Å; V487-M490 PolarHBondContact O-N 3.3Å; V487-L491 WeakPolarHBondContact O-CB 3.4Å; V487-L491 PolarHBondContact O-N 3.33Å; V487-M570 HydrophobicContact CG1-CE 3.62Å; V487-M570 HydrophobicContact CG1-SD 4.04Å; V487-L577 HydrophobicContact CG1-CD2 3.98Å; V487-S578 PolarHBondContact N-OG 3.35Å
488	D	96.3	Very high	95.5	Very high	36 Å²	36	17 Å²	17	19%	0.193	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-42.3	-176.8	-166.4	86.7	0	0	0	112.2	C486 T492 R563 P580	C486-D488 PolarHBondContact O-N 3.24Å; D488-T492 PolarHBondContact O-N 2.94Å; D488-T492 VanDerWaalsContact O-N 3.15Å; D488-T492 PolarHBondContact O-OG1 3.16Å; D488-R563 IonicContact OD1-CZ 3.66Å; D488-R563 IonicContact OD1-NH2 3.62Å; D488-R563 PolarHBondContact OD1-NH2 2.86Å; D488-R563 IonicContact OD2-NH2 2.76Å; D488-R563 PolarHBondContact OD2-NH2 3.16Å; D488-P580 HydrophobicContact CB-CB 4.49Å; D488-P580 HydrophobicContact CB-CG 4.3Å
489	E	96.8	Very high	94.7	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-69.2	-46.3	176.6	-66.6	79.3	-163.3	0	0	111.6	C486 V487 L491 T492 L493 I530 A581 F582 N587 L591	C486-E489 WeakPolarHBondContact CA-OE2 3.41Å; C486-E489 PolarHBondContact O-N 3.32Å; V487-E489 VanDerWaalsContact C-N 3.34Å; V487-E489 PolarHBondContact O-N 3.3Å; E489-L491 VanDerWaalsContact C-N 3.33Å; E489-L491 PolarHBondContact O-N 3.15Å; E489-T492 WeakPolarHBondContact O-CB 3.26Å; E489-T492 PolarHBondContact O-N 3.39Å; E489-L493 WeakPolarHBondContact O-CB 3.48Å; E489-L493 PolarHBondContact O-N 3.32Å; E489-I530 HydrophobicContact CB-CD1 3.94Å; E489-A581 PolarHBondContact OE1-N 2.95Å; E489-F582 HydrophobicContact CG-CB 3.9Å; E489-F582 HydrophobicContact CG-CD2 3.95Å; E489-F582 HydrophobicContact CG-CG 4.33Å; E489-F582 PolarHBondContact OE1-N 3.37Å; E489-N587 PolarHBondContact OE2-ND2 2.92Å; E489-L591 HydrophobicContact CB-CD1 4.24Å
490	M	97.4	Very high	93.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.6	-33	-178.9	-167.1	61.7	-123.9	0	0	112.1	L474 A477 L478 C486 V487 L493 A494 L591 L595	L474-M490 HydrophobicContact CD1-CE 3.55Å; A477-M490 HydrophobicContact CB-CE 4.12Å; A477-M490 HydrophobicContact CB-SD 4.23Å; L478-M490 HydrophobicContact CB-CG 4.44Å; L478-M490 HydrophobicContact CD1-CB 4.25Å; L478-M490 HydrophobicContact CD1-CG 4.14Å; C486-M490 WeakPolarHBondContact O-CB 3.22Å; C486-M490 PolarHBondContact O-N 3.2Å; V487-M490 PolarHBondContact O-N 3.3Å; M490-L493 HydrophobicContact CE-CB 4.05Å; M490-L493 HydrophobicContact CE-CD2 3.87Å; M490-L493 HydrophobicContact CE-CG 3.99Å; M490-L493 PolarHBondContact O-N 3.35Å; M490-L493 HydrophobicContact SD-CD2 3.98Å; M490-A494 HydrophobicContact CE-CB 4.43Å; M490-A494 VanDerWaalsContact O-CB 3.29Å; M490-A494 WeakPolarHBondContact O-CB 3.19Å; M490-A494 PolarHBondContact O-N 3.47Å; M490-L591 HydrophobicContact CB-CD1 4.42Å; M490-L591 HydrophobicContact SD-CD1 4.14Å; M490-L595 HydrophobicContact CE-CD2 4.11Å; M490-L595 HydrophobicContact SD-CD2 3.97Å; M490-L595 HydrophobicContact SD-CG 4.3Å
491	L	96.7	Very high	91.1	Very high	2 Å²	2	23 Å²	23	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-63.8	-45.6	172.6	-172.9	83.1	0	0	0	111.2	L478 V487 E489 L493 A494 A495 R563 L566 L567 M570	L478-L491 HydrophobicContact CD1-CB 4.14Å; L478-L491 HydrophobicContact CD1-CD1 4.16Å; L478-L491 HydrophobicContact CD2-CD1 4.33Å; V487-L491 WeakPolarHBondContact O-CB 3.4Å; V487-L491 PolarHBondContact O-N 3.33Å; E489-L491 VanDerWaalsContact C-N 3.33Å; E489-L491 PolarHBondContact O-N 3.15Å; L491-L493 VanDerWaalsContact C-N 3.33Å; L491-A494 PolarHBondContact O-N 3.39Å; L491-A495 WeakPolarHBondContact O-CB 3.23Å; L491-A495 PolarHBondContact O-N 2.65Å; L491-R563 HydrophobicContact CD2-CG 3.67Å; L491-R563 HydrophobicContact CG-CG 3.81Å; L491-L566 HydrophobicContact CD1-CB 3.46Å; L491-L566 VanDerWaalsContact CD1-CB 3.46Å; L491-L566 HydrophobicContact CD1-CD1 4.46Å; L491-L566 HydrophobicContact CG-CB 4.46Å; L491-L567 HydrophobicContact CD2-CB 3.91Å; L491-L567 HydrophobicContact CD2-CD1 4.16Å; L491-M570 HydrophobicContact CD1-SD 3.84Å
492	T	96.4	Very high	89.1	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-59.2	-47.5	174.1	-59.2	0	0	0	0	110.5	D488 E489 A495 M496 I530 Y533 R563	D488-T492 PolarHBondContact O-N 2.94Å; D488-T492 VanDerWaalsContact O-N 3.15Å; D488-T492 PolarHBondContact O-OG1 3.16Å; E489-T492 WeakPolarHBondContact O-CB 3.26Å; E489-T492 PolarHBondContact O-N 3.39Å; T492-A495 PolarHBondContact O-N 3.19Å; T492-M496 HydrophobicContact CG2-CG 4.4Å; T492-M496 WeakPolarHBondContact O-CB 3.36Å; T492-M496 VanDerWaalsContact O-CG 3.25Å; T492-M496 WeakPolarHBondContact O-CG 3.3Å; T492-M496 PolarHBondContact O-N 3.27Å; T492-I530 HydrophobicContact CG2-CG1 4.41Å; T492-I530 HydrophobicContact CG2-CG2 4.42Å; T492-Y533 HydrophobicContact CG2-CD1 3.28Å; T492-Y533 HydrophobicContact CG2-CD2 4.26Å; T492-Y533 HydrophobicContact CG2-CE1 3.95Å; T492-Y533 HydrophobicContact CG2-CG 3.46Å; T492-Y533 VanDerWaalsContact CG2-CG 3.46Å; T492-R563 PolarHBondContact OG1-NE 2.82Å
493	L	95.7	Very high	87.7	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-43	179.7	-175.2	58.2	0	0	0	112	E489 M490 L491 A495 M496 L497 H526 L529 I530 L591 L595	E489-L493 WeakPolarHBondContact O-CB 3.48Å; E489-L493 PolarHBondContact O-N 3.32Å; M490-L493 HydrophobicContact CE-CB 4.05Å; M490-L493 HydrophobicContact CE-CD2 3.87Å; M490-L493 HydrophobicContact CE-CG 3.99Å; M490-L493 PolarHBondContact O-N 3.35Å; M490-L493 HydrophobicContact SD-CD2 3.98Å; L491-L493 VanDerWaalsContact C-N 3.33Å; L493-A495 VanDerWaalsContact C-N 3.33Å; L493-A495 PolarHBondContact O-N 2.8Å; L493-M496 PolarHBondContact O-N 3.08Å; L493-L497 HydrophobicContact CD1-CD1 4.05Å; L493-L497 HydrophobicContact CD1-CG 3.98Å; L493-L497 HydrophobicContact CG-CD1 3.82Å; L493-L497 HydrophobicContact CG-CG 4.22Å; L493-L497 VanDerWaalsContact O-CB 3.31Å; L493-L497 WeakPolarHBondContact O-CB 3.46Å; L493-L497 WeakPolarHBondContact O-CG 3.37Å; L493-L497 PolarHBondContact O-N 2.73Å; L493-H526 HydrophobicContact CD1-CB 3.96Å; L493-H526 WeakPolarHBondContact CD1-O 3.4Å; L493-H526 HydrophobicContact CD2-CB 3.86Å; L493-L529 HydrophobicContact CD1-CB 3.99Å; L493-L529 HydrophobicContact CD1-CD1 3.75Å; L493-L529 HydrophobicContact CD1-CG 4.45Å; L493-I530 HydrophobicContact CB-CD1 4.4Å; L493-I530 HydrophobicContact CB-CG1 4.24Å; L493-L591 HydrophobicContact CD2-CD1 4.35Å; L493-L595 HydrophobicContact CD2-CD1 4.14Å; L493-L595 HydrophobicContact CD2-CD2 3.77Å; L493-L595 HydrophobicContact CD2-CG 4.3Å
494	A	95.8	Very high	86.4	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-41.8	177.4	0	0	0	0	0	112	L470 L474 M490 L491 T498 L566	L470-A494 HydrophobicContact CD1-CB 4.25Å; L474-A494 HydrophobicContact CD1-CB 3.97Å; L474-A494 HydrophobicContact CD2-CB 4.14Å; L474-A494 HydrophobicContact CG-CB 4.01Å; M490-A494 HydrophobicContact CE-CB 4.43Å; M490-A494 VanDerWaalsContact O-CB 3.29Å; M490-A494 WeakPolarHBondContact O-CB 3.19Å; M490-A494 PolarHBondContact O-N 3.47Å; L491-A494 PolarHBondContact O-N 3.39Å; A494-T498 WeakPolarHBondContact O-CB 3.16Å; A494-T498 PolarHBondContact O-N 2.96Å; A494-T498 PolarHBondContact O-OG1 3.41Å; A494-L566 HydrophobicContact CB-CD1 4.26Å
495	A	94.7	Very high	85.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.1	-44.3	175.6	0	0	0	0	0	112.2	L491 T492 L493 T498 A499 A559 L562 R563	L491-A495 WeakPolarHBondContact O-CB 3.23Å; L491-A495 PolarHBondContact O-N 2.65Å; T492-A495 PolarHBondContact O-N 3.19Å; L493-A495 VanDerWaalsContact C-N 3.33Å; L493-A495 PolarHBondContact O-N 2.8Å; A495-T498 PolarHBondContact O-N 3.17Å; A495-A499 WeakPolarHBondContact O-CB 3.49Å; A495-A499 PolarHBondContact O-N 2.94Å; A495-A559 WeakPolarHBondContact CB-O 3.34Å; A495-L562 HydrophobicContact CB-CB 4.24Å; A495-L562 HydrophobicContact CB-CD2 4.38Å; A495-L562 HydrophobicContact CB-CG 4.16Å; A495-R563 HydrophobicContact CB-CB 3.67Å; A495-R563 HydrophobicContact CB-CG 4.37Å
496	M	93.6	Very high	84.4	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-42.5	177.6	-73.5	-65.5	-69.1	0	0	112.3	T492 L493 A499 A500 F503 L529 V532 Y533 L556 A559	T492-M496 HydrophobicContact CG2-CG 4.4Å; T492-M496 WeakPolarHBondContact O-CB 3.36Å; T492-M496 VanDerWaalsContact O-CG 3.25Å; T492-M496 WeakPolarHBondContact O-CG 3.3Å; T492-M496 PolarHBondContact O-N 3.27Å; L493-M496 PolarHBondContact O-N 3.08Å; M496-A499 CarbonylContact O-C 3.5Å; M496-A499 PolarHBondContact O-N 3.25Å; M496-A500 WeakPolarHBondContact O-CA 3.13Å; M496-A500 WeakPolarHBondContact O-CB 3.36Å; M496-A500 PolarHBondContact O-N 2.76Å; M496-F503 HydrophobicContact CE-CD1 4.48Å; M496-L529 HydrophobicContact CB-CB 4.16Å; M496-L529 HydrophobicContact CE-CB 4.48Å; M496-L529 HydrophobicContact CE-CD2 4.29Å; M496-V532 HydrophobicContact CE-CB 4.38Å; M496-V532 HydrophobicContact CE-CG1 4.04Å; M496-Y533 HydrophobicContact CG-CD2 4.4Å; M496-Y533 HydrophobicContact SD-CD2 3.99Å; M496-Y533 HydrophobicContact SD-CG 4.41Å; M496-L556 HydrophobicContact CE-CD2 3.7Å; M496-L556 HydrophobicContact SD-CD2 3.9Å; M496-A559 HydrophobicContact SD-CB 3.75Å
497	L	92.1	Very high	83.4	Confident	7 Å²	7	27 Å²	27	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-38.4	177.7	-73.8	173.1	0	0	0	112.4	L474 L493 A500 L529 H646 I658	L474-L497 HydrophobicContact CD1-CD1 3.81Å; L474-L497 HydrophobicContact CD2-CB 4.21Å; L493-L497 HydrophobicContact CD1-CD1 4.05Å; L493-L497 HydrophobicContact CD1-CG 3.98Å; L493-L497 HydrophobicContact CG-CD1 3.82Å; L493-L497 HydrophobicContact CG-CG 4.22Å; L493-L497 VanDerWaalsContact O-CB 3.31Å; L493-L497 WeakPolarHBondContact O-CB 3.46Å; L493-L497 WeakPolarHBondContact O-CG 3.37Å; L493-L497 PolarHBondContact O-N 2.73Å; L497-A500 WeakPolarHBondContact O-CB 3.49Å; L497-A500 PolarHBondContact O-N 2.74Å; L497-L529 HydrophobicContact CD2-CD1 3.61Å; L497-L529 HydrophobicContact CG-CD1 4.14Å; L497-H646 HydrophobicContact CD2-CB 4.38Å; L497-I658 HydrophobicContact CD2-CD1 3.68Å; L497-I658 HydrophobicContact CD2-CG2 3.97Å
498	T	88.7	Confident	82.5	Confident	60 Å²	60	33.2 Å²	33.2	37%	0.368	19%	0.192	S	C	.	.	H	α-helix	trans	-73.4	-33.2	179.3	-53.4	0	0	0	0	111.7	L470 A494 A495 A500 L562	L470-T498 HydrophobicContact CD2-CG2 4.38Å; L470-T498 VanDerWaalsContact CD2-OG1 3.24Å; L470-T498 WeakPolarHBondContact CD2-OG1 3.4Å; A494-T498 WeakPolarHBondContact O-CB 3.16Å; A494-T498 PolarHBondContact O-N 2.96Å; A494-T498 PolarHBondContact O-OG1 3.41Å; A495-T498 PolarHBondContact O-N 3.17Å; T498-A500 VanDerWaalsContact C-N 3.33Å; T498-L562 VanDerWaalsContact CB-CD2 3.47Å; T498-L562 HydrophobicContact CG2-CD2 3.59Å
499	A	80.6	Confident	81.8	Confident	17 Å²	17	34.1 Å²	34.1	14%	0.14	20%	0.202	C	C	.	.	S	Bend	trans	-84.8	-4.8	171.1	0	0	0	0	0	113.3	A495 M496 P501 A559	A495-A499 WeakPolarHBondContact O-CB 3.49Å; A495-A499 PolarHBondContact O-N 2.94Å; M496-A499 CarbonylContact O-C 3.5Å; M496-A499 PolarHBondContact O-N 3.25Å; A499-P501 VanDerWaalsContact C-CD 3.41Å; A499-A559 HydrophobicContact CB-CB 3.79Å
500	A	61.8	Low	81.3	Confident	11 Å²	11	38.1 Å²	38.1	9%	0.091	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-60.3	-38.2	-159.6	0	0	0	0	0	117.5	M496 L497 T498 G502 F503 I658	M496-A500 WeakPolarHBondContact O-CA 3.13Å; M496-A500 WeakPolarHBondContact O-CB 3.36Å; M496-A500 PolarHBondContact O-N 2.76Å; L497-A500 WeakPolarHBondContact O-CB 3.49Å; L497-A500 PolarHBondContact O-N 2.74Å; T498-A500 VanDerWaalsContact C-N 3.33Å; A500-G502 PolarHBondContact O-N 3.22Å; A500-F503 HydrophobicContact CB-CD1 4.28Å; A500-F503 HydrophobicContact CB-CE1 3.74Å; A500-F503 WeakPolarHBondContact O-CD1 3.36Å; A500-F503 WeakPolarHBondContact O-CE1 3.28Å; A500-F503 PolarHBondContact O-N 3.49Å; A500-I658 HydrophobicContact CB-CD1 4.34Å
501	P	55.4	Low	80.9	Confident	107 Å²	107	45.1 Å²	45.1	70%	0.695	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-56.6	-26.9	-171.1	-24.8	32.6	0	0	0	113.3	A499	A499-P501 VanDerWaalsContact C-CD 3.41Å
502	G	55.2	Low	80.4	Confident	9 Å²	9	45.7 Å²	45.7	9%	0.093	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-105.3	-3.4	-170.6	0	0	0	0	0	117.3	D303 A500 N552	D303-G502 WeakPolarHBondContact OD1-CA 3.44Å; A500-G502 PolarHBondContact O-N 3.22Å; G502-N552 WeakPolarHBondContact O-CB 3.45Å; G502-N552 PolarHBondContact O-ND2 3.07Å
503	F	66.9	Low	79.8	Confident	19 Å²	19	46.6 Å²	46.6	8%	0.083	28%	0.278	C	S	.	.	S	Bend	trans	-84.1	-14.3	-172.8	75.5	-92.1	0	0	0	115.7	M496 A500 L529 L551 N552 A555 L556	M496-F503 HydrophobicContact CE-CD1 4.48Å; A500-F503 HydrophobicContact CB-CD1 4.28Å; A500-F503 HydrophobicContact CB-CE1 3.74Å; A500-F503 WeakPolarHBondContact O-CD1 3.36Å; A500-F503 WeakPolarHBondContact O-CE1 3.28Å; A500-F503 PolarHBondContact O-N 3.49Å; F503-L529 HydrophobicContact CE1-CD2 3.65Å; F503-L529 HydrophobicContact CE2-CD2 3.94Å; F503-L529 HydrophobicContact CZ-CD2 3.15Å; F503-L551 HydrophobicContact CD2-CD2 4.14Å; F503-L551 CarbonylContact O-C 3.57Å; F503-L551 WeakPolarHBondContact O-CA 3.43Å; F503-N552 PolarHBondContact O-N 3.43Å; F503-A555 HydrophobicContact CB-CB 3.87Å; F503-L556 HydrophobicContact CB-CD2 4.48Å; F503-L556 HydrophobicContact CB-CG 4.46Å
504	T	67.8	Low	79.3	Confident	63 Å²	63	48.7 Å²	48.7	39%	0.387	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-127	123	177.1	44.6	0	0	0	0	111.9	L551	T504-L551 HydrophobicContact CG2-CD2 3.77Å
505	R	74.3	Confident	79	Confident	96 Å²	96	51.5 Å²	51.5	36%	0.362	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-93.2	158.2	163.3	59	169.4	-178.9	66.6	1	111.1	L508 E512 R516 G550	R505-L508 VanDerWaalsContact NH1-CG 3.27Å; R505-E512 IonicContact CZ-OE1 3.63Å; R505-E512 IonicContact CZ-OE2 3.69Å; R505-E512 VanDerWaalsContact NH1-CD 3.32Å; R505-E512 IonicContact NH1-OE1 3.82Å; R505-E512 PolarHBondContact NH1-OE1 2.7Å; R505-E512 IonicContact NH1-OE2 3.14Å; R505-E512 PolarHBondContact NH1-OE2 3.37Å; R505-E512 VanDerWaalsContact NH1-OE2 3.09Å; R505-E512 IonicContact NH2-OE1 2.91Å; R505-E512 PolarHBondContact NH2-OE1 2.85Å; R505-E512 IonicContact NH2-OE2 3.83Å; R505-E512 PolarHBondContact NH2-OE2 3.21Å; R505-R516 PolarHBondContact O-NH1 3.01Å; R505-R516 PolarHBondContact O-NH2 3.23Å; R505-G550 PolarHBondContact N-O 3.16Å
506	P	72.6	Confident	78.6	Confident	79 Å²	79	53.2 Å²	53.2	51%	0.513	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-50.8	137.5	169.2	-26.7	35.3	0	0	0	111.3	L508	P506-L508 PolarHBondContact O-N 2.88Å
507	P	75.8	Confident	78.2	Confident	53 Å²	53	58.9 Å²	58.9	34%	0.344	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.9	131.4	-178.1	27	-32.9	0	0	0	110.8	E512 A513	P507-E512 VanDerWaalsContact CA-OE1 3.3Å; P507-E512 WeakPolarHBondContact CA-OE1 3.48Å; P507-E512 HydrophobicContact CB-CB 4.49Å; P507-E512 HydrophobicContact CB-CG 4.49Å; P507-A513 HydrophobicContact CB-CB 3.84Å; P507-A513 HydrophobicContact CG-CB 3.96Å
508	L	77.9	Confident	78	Confident	133 Å²	133	62 Å²	62	70%	0.696	37%	0.365	S	S	*	.	S	Bend	trans	-82.4	-20	-179.1	-68.5	169.4	0	0	0	112.6	R505 P506 E512	R505-L508 VanDerWaalsContact NH1-CG 3.27Å; P506-L508 PolarHBondContact O-N 2.88Å; L508-E512 PolarHBondContact N-OE2 3.23Å
509	S	82.7	Confident	78.1	Confident	55 Å²	55	60 Å²	60	39%	0.385	35%	0.352	S	S	.	.	S	Bend	trans	-139.2	157.9	-178.8	79.1	0	0	0	0	112.2	E511 E512 A513	S509-E511 PolarHBondContact O-N 3.47Å; S509-E512 PolarHBondContact O-N 2.85Å; S509-E512 WeakPolarHBondContact OG-CB 3.34Å; S509-E512 PolarHBondContact OG-N 3.35Å; S509-A513 WeakPolarHBondContact O-CB 3.36Å; S509-A513 PolarHBondContact O-N 2.86Å
510	A	85.4	Confident	78.5	Confident	85 Å²	85	62 Å²	62	70%	0.702	36%	0.358	S	S	*	.	H	α-helix	trans	-63.9	-29.4	174.9	0	0	0	0	0	112.6	A514	A510-A514 WeakPolarHBondContact O-CB 3.35Å; A510-A514 PolarHBondContact O-N 3.4Å
511	E	88.6	Confident	79.8	Confident	147 Å²	147	63 Å²	63	69%	0.687	36%	0.361	S	S	*	.	H	α-helix	trans	-69.1	-48.6	175.4	-177.2	175.1	-172.5	0	0	111	S509 A513 A514 L515	S509-E511 PolarHBondContact O-N 3.47Å; E511-A513 VanDerWaalsContact C-N 3.28Å; E511-A513 PolarHBondContact O-N 3.48Å; E511-A514 WeakPolarHBondContact O-CB 3.48Å; E511-A514 PolarHBondContact O-N 3.11Å; E511-L515 HydrophobicContact CG-CD1 4.4Å; E511-L515 WeakPolarHBondContact O-CG 3.2Å; E511-L515 PolarHBondContact O-N 2.73Å
512	E	86.1	Confident	81.4	Confident	14 Å²	14	62.4 Å²	62.4	7%	0.065	36%	0.355	C	S	.	.	H	α-helix	trans	-57.6	-44.5	175.2	-169.8	-171	129	0	0	110.6	R505 P507 L508 S509 A514 L515 R516 G550	R505-E512 IonicContact CZ-OE1 3.63Å; R505-E512 IonicContact CZ-OE2 3.69Å; R505-E512 VanDerWaalsContact NH1-CD 3.32Å; R505-E512 IonicContact NH1-OE1 3.82Å; R505-E512 PolarHBondContact NH1-OE1 2.7Å; R505-E512 IonicContact NH1-OE2 3.14Å; R505-E512 PolarHBondContact NH1-OE2 3.37Å; R505-E512 VanDerWaalsContact NH1-OE2 3.09Å; R505-E512 IonicContact NH2-OE1 2.91Å; R505-E512 PolarHBondContact NH2-OE1 2.85Å; R505-E512 IonicContact NH2-OE2 3.83Å; R505-E512 PolarHBondContact NH2-OE2 3.21Å; P507-E512 VanDerWaalsContact CA-OE1 3.3Å; P507-E512 WeakPolarHBondContact CA-OE1 3.48Å; P507-E512 HydrophobicContact CB-CB 4.49Å; P507-E512 HydrophobicContact CB-CG 4.49Å; L508-E512 PolarHBondContact N-OE2 3.23Å; S509-E512 PolarHBondContact O-N 2.85Å; S509-E512 WeakPolarHBondContact OG-CB 3.34Å; S509-E512 PolarHBondContact OG-N 3.35Å; E512-A514 VanDerWaalsContact C-N 3.29Å; E512-A514 PolarHBondContact O-N 3.42Å; E512-L515 PolarHBondContact O-N 3.36Å; E512-R516 WeakPolarHBondContact O-CB 3.37Å; E512-R516 PolarHBondContact O-N 2.89Å; E512-R516 IonicContact OE1-NH2 3.84Å; E512-R516 PolarHBondContact OE1-NH2 3.38Å; E512-G550 WeakPolarHBondContact OE1-CA 3.24Å; E512-G550 PolarHBondContact OE1-N 3.35Å
513	A	83.9	Confident	82.9	Confident	23 Å²	23	63.7 Å²	63.7	19%	0.19	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-33.8	175.5	0	0	0	0	0	113	P507 S509 E511 R517	P507-A513 HydrophobicContact CB-CB 3.84Å; P507-A513 HydrophobicContact CG-CB 3.96Å; S509-A513 WeakPolarHBondContact O-CB 3.36Å; S509-A513 PolarHBondContact O-N 2.86Å; E511-A513 VanDerWaalsContact C-N 3.28Å; E511-A513 PolarHBondContact O-N 3.48Å; A513-R517 WeakPolarHBondContact O-CB 3.17Å; A513-R517 VanDerWaalsContact O-CG 3.29Å; A513-R517 WeakPolarHBondContact O-CG 3.4Å; A513-R517 PolarHBondContact O-N 3.35Å; A513-R517 VanDerWaalsContact O-N 3.09Å; A513-R517 PolarHBondContact O-NE 3.03Å
514	A	86	Confident	84.1	Confident	44 Å²	44	62.8 Å²	62.8	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-73.5	-42.4	177.2	0	0	0	0	0	111.9	A510 E511 E512 R516 R517 A518	A510-A514 WeakPolarHBondContact O-CB 3.35Å; A510-A514 PolarHBondContact O-N 3.4Å; E511-A514 WeakPolarHBondContact O-CB 3.48Å; E511-A514 PolarHBondContact O-N 3.11Å; E512-A514 VanDerWaalsContact C-N 3.29Å; E512-A514 PolarHBondContact O-N 3.42Å; A514-R516 VanDerWaalsContact C-N 3.33Å; A514-R517 PolarHBondContact O-N 3.03Å; A514-A518 PolarHBondContact O-N 3.36Å
515	L	88.6	Confident	85.2	Confident	59 Å²	59	60.7 Å²	60.7	31%	0.309	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-38.2	175.8	-69	173.6	0	0	0	111.8	E511 E512 A518 A548 R549	E511-L515 HydrophobicContact CG-CD1 4.4Å; E511-L515 WeakPolarHBondContact O-CG 3.2Å; E511-L515 PolarHBondContact O-N 2.73Å; E512-L515 PolarHBondContact O-N 3.36Å; L515-A518 WeakPolarHBondContact O-CB 3.41Å; L515-A518 PolarHBondContact O-N 3.01Å; L515-A548 HydrophobicContact CD1-CB 4.47Å; L515-A548 WeakPolarHBondContact CD1-O 3.18Å; L515-R549 HydrophobicContact CB-CG 3.85Å
516	R	86.1	Confident	86.1	Confident	35 Å²	35	56.1 Å²	56.1	13%	0.132	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-45.3	174	-172.7	178.9	-61.8	173.5	5.7	112.1	R505 E512 A514 A518 L519 R549 G550	R505-R516 PolarHBondContact O-NH1 3.01Å; R505-R516 PolarHBondContact O-NH2 3.23Å; E512-R516 WeakPolarHBondContact O-CB 3.37Å; E512-R516 PolarHBondContact O-N 2.89Å; E512-R516 IonicContact OE1-NH2 3.84Å; E512-R516 PolarHBondContact OE1-NH2 3.38Å; A514-R516 VanDerWaalsContact C-N 3.33Å; R516-A518 PolarHBondContact O-N 3.36Å; R516-A518 VanDerWaalsContact O-N 3.13Å; R516-L519 WeakPolarHBondContact O-CB 3.33Å; R516-L519 PolarHBondContact O-N 3.36Å; R516-R549 PolarHBondContact NE-O 3.24Å; R516-R549 PolarHBondContact NH2-O 3.46Å; R516-G550 VanDerWaalsContact NH2-C 3.28Å; R516-G550 VanDerWaalsContact NH2-CA 3.32Å; R516-G550 PolarHBondContact NH2-O 3.46Å
517	R	85.6	Confident	87.1	Confident	120 Å²	120	52.8 Å²	52.8	45%	0.453	30%	0.304	S	S	.	.	H	α-helix	trans	-58.5	-25.1	176.7	-82.5	-179.1	-74.2	124.3	-6.1	113.4	A513 A514 L519 E520	A513-R517 WeakPolarHBondContact O-CB 3.17Å; A513-R517 VanDerWaalsContact O-CG 3.29Å; A513-R517 WeakPolarHBondContact O-CG 3.4Å; A513-R517 PolarHBondContact O-N 3.35Å; A513-R517 VanDerWaalsContact O-N 3.09Å; A513-R517 PolarHBondContact O-NE 3.03Å; A514-R517 PolarHBondContact O-N 3.03Å; R517-L519 PolarHBondContact O-N 3.04Å; R517-E520 WeakPolarHBondContact CG-OE1 3.25Å; R517-E520 WeakPolarHBondContact O-CB 3.46Å; R517-E520 PolarHBondContact O-N 2.95Å
518	A	89	Confident	87.9	Confident	73 Å²	73	50.8 Å²	50.8	60%	0.603	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13	175.1	0	0	0	0	0	113.9	A514 L515 R516	A514-A518 PolarHBondContact O-N 3.36Å; L515-A518 WeakPolarHBondContact O-CB 3.41Å; L515-A518 PolarHBondContact O-N 3.01Å; R516-A518 PolarHBondContact O-N 3.36Å; R516-A518 VanDerWaalsContact O-N 3.13Å
519	L	89.5	Confident	88.7	Confident	18 Å²	18	45 Å²	45	9%	0.094	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	1.7	174.9	-61.3	177.9	0	0	0	113	R516 R517 Q531 V532 A535 W545 L551	R516-L519 WeakPolarHBondContact O-CB 3.33Å; R516-L519 PolarHBondContact O-N 3.36Å; R517-L519 PolarHBondContact O-N 3.04Å; L519-Q531 PolarHBondContact O-OE1 3.24Å; L519-V532 HydrophobicContact CB-CG2 3.9Å; L519-V532 HydrophobicContact CD1-CG2 4.04Å; L519-A535 HydrophobicContact CD2-CB 3.74Å; L519-W545 HydrophobicContact CD1-CH2 3.88Å; L519-W545 HydrophobicContact CD1-CZ2 4.14Å; L519-W545 HydrophobicContact CD2-CZ2 4.45Å; L519-L551 HydrophobicContact CD1-CD1 4.04Å
520	E	89.3	Confident	89.2	Confident	58 Å²	58	42.3 Å²	42.3	27%	0.271	24%	0.243	S	C	.	.			trans	-76.7	136.1	175.1	-68	175.4	177.2	0	0	110.6	R517 C629 S632	R517-E520 WeakPolarHBondContact CG-OE1 3.25Å; R517-E520 WeakPolarHBondContact O-CB 3.46Å; R517-E520 PolarHBondContact O-N 2.95Å; E520-C629 HydrophobicContact CB-CB 4.01Å; E520-C629 HydrophobicContact CG-CB 3.99Å; E520-S632 WeakPolarHBondContact OE1-CB 3.5Å; E520-S632 PolarHBondContact OE1-OG 3.25Å; E520-S632 WeakPolarHBondContact OE2-CB 3.33Å
521	H	90	Very high	89.6	Confident	33 Å²	33	40.9 Å²	40.9	15%	0.153	22%	0.221	C	C	.	.			trans	-97.3	150.6	178.4	-159.2	-96.1	0	0	0	112.2	D523 S527 S528 R633	H521-D523 VanDerWaalsContact CE1-CG 3.43Å; H521-D523 IonicContact CE1-OD1 3.54Å; H521-D523 IonicContact CE1-OD2 2.8Å; H521-D523 PolarHBondContact CE1-OD2 3.35Å; H521-D523 WeakPolarHBondContact ND1-CB 3.45Å; H521-D523 PolarHBondContact ND1-N 3.18Å; H521-D523 VanDerWaalsContact ND1-N 3.18Å; H521-D523 IonicContact ND1-OD1 3.71Å; H521-D523 IonicContact ND1-OD2 3.69Å; H521-D523 PolarHBondContact O-N 3.22Å; H521-S527 WeakPolarHBondContact ND1-CB 3.32Å; H521-S528 PolarHBondContact N-OG 3.41Å; H521-R633 PolarHBondContact O-NH2 3.38Å
522	T	87.8	Confident	89.9	Confident	94 Å²	94	34.5 Å²	34.5	58%	0.577	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-15	178.8	52.6	0	0	0	0	114	R633	T522-R633 VanDerWaalsContact CA-NH2 3.35Å; T522-R633 VanDerWaalsContact O-CZ 3.23Å; T522-R633 PolarHBondContact O-NH1 2.83Å; T522-R633 PolarHBondContact O-NH2 3.47Å
523	D	87.4	Confident	90.3	Very high	37 Å²	37	34.6 Å²	34.6	20%	0.198	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-0.2	-173	-55.4	-10.4	0	0	0	112.7	H521 R588 Y630	H521-D523 VanDerWaalsContact CE1-CG 3.43Å; H521-D523 IonicContact CE1-OD1 3.54Å; H521-D523 IonicContact CE1-OD2 2.8Å; H521-D523 PolarHBondContact CE1-OD2 3.35Å; H521-D523 WeakPolarHBondContact ND1-CB 3.45Å; H521-D523 PolarHBondContact ND1-N 3.18Å; H521-D523 VanDerWaalsContact ND1-N 3.18Å; H521-D523 IonicContact ND1-OD1 3.71Å; H521-D523 IonicContact ND1-OD2 3.69Å; H521-D523 PolarHBondContact O-N 3.22Å; D523-R588 HydrophobicContact CB-CG 4.41Å; D523-R588 VanDerWaalsContact CG-CD 3.45Å; D523-R588 WeakPolarHBondContact OD2-CD 3.32Å; D523-R588 VanDerWaalsContact OD2-CG 3.28Å; D523-R588 WeakPolarHBondContact OD2-CG 3.31Å; D523-Y630 VanDerWaalsContact C-OH 3.22Å; D523-Y630 PolarHBondContact O-OH 3.39Å
524	G	90.8	Very high	90.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	126.3	-177.2	172.5	0	0	0	0	0	113.9	S527 S528 C629 Y630 V659	G524-S527 PolarHBondContact O-N 3.35Å; G524-S528 PolarHBondContact O-N 2.96Å; G524-S528 PolarHBondContact O-OG 3.04Å; G524-C629 VanDerWaalsContact CA-SG 3.57Å; G524-Y630 VanDerWaalsContact CA-OH 3.26Å; G524-Y630 WeakPolarHBondContact CA-OH 3.27Å; G524-Y630 PolarHBondContact N-OH 3.46Å; G524-V659 WeakPolarHBondContact CA-O 3.36Å
525	D	91.8	Very high	91.2	Very high	18 Å²	18	34.9 Å²	34.9	10%	0.096	19%	0.185	C	C	.	.	H	α-helix	trans	-68	-36.2	-176.7	-60	-33.4	0	0	0	111.1	S527 S528 L529 C628 C629 I658 V659	D525-S527 PolarHBondContact O-N 3.16Å; D525-S528 CarbonylContact O-C 3.57Å; D525-S528 WeakPolarHBondContact O-CA 3.24Å; D525-S528 VanDerWaalsContact O-CB 3.27Å; D525-S528 WeakPolarHBondContact O-CB 3.44Å; D525-S528 PolarHBondContact O-N 3.2Å; D525-L529 WeakPolarHBondContact O-CG 3.35Å; D525-L529 PolarHBondContact O-N 3.2Å; D525-C628 PolarHBondContact OD2-SG 2.62Å; D525-C629 WeakPolarHBondContact OD1-CB 3.06Å; D525-C629 PolarHBondContact OD1-N 3.25Å; D525-C629 PolarHBondContact OD1-SG 2.64Å; D525-I658 HydrophobicContact CB-CB 4.38Å; D525-I658 HydrophobicContact CB-CG2 3.93Å; D525-I658 WeakPolarHBondContact OD2-CA 3.4Å; D525-V659 PolarHBondContact N-O 2.83Å; D525-V659 PolarHBondContact OD2-N 2.71Å
526	H	93.7	Very high	91.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-46.6	177.4	-62.9	92	0	0	0	112	L493 S528 L529 I530 L595 I658 S660	L493-H526 HydrophobicContact CD1-CB 3.96Å; L493-H526 WeakPolarHBondContact CD1-O 3.4Å; L493-H526 HydrophobicContact CD2-CB 3.86Å; H526-S528 VanDerWaalsContact C-N 3.29Å; H526-S528 PolarHBondContact O-N 2.76Å; H526-L529 WeakPolarHBondContact O-CB 3.41Å; H526-L529 PolarHBondContact O-N 3.34Å; H526-I530 PolarHBondContact O-N 2.87Å; H526-L595 HydrophobicContact CB-CD1 4.11Å; H526-I658 PolarHBondContact CE1-O 3.05Å; H526-I658 VanDerWaalsContact CE1-O 3.27Å; H526-S660 WeakPolarHBondContact CB-OG 3.11Å; H526-S660 WeakPolarHBondContact ND1-CB 3.45Å; H526-S660 PolarHBondContact ND1-OG 3.31Å
527	S	93.9	Very high	92	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-31.7	174.5	-53.2	0	0	0	0	112.1	H521 G524 D525 L529 I530 Q531	H521-S527 WeakPolarHBondContact ND1-CB 3.32Å; G524-S527 PolarHBondContact O-N 3.35Å; D525-S527 PolarHBondContact O-N 3.16Å; S527-L529 VanDerWaalsContact C-N 3.31Å; S527-L529 PolarHBondContact O-N 2.98Å; S527-I530 PolarHBondContact O-N 3Å; S527-Q531 PolarHBondContact O-N 3.3Å
528	S	92.6	Very high	92.5	Very high	12 Å²	12	35.6 Å²	35.6	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-37.9	173.1	-52.1	0	0	0	0	111.4	H521 G524 D525 H526 Q531 V532	H521-S528 PolarHBondContact N-OG 3.41Å; G524-S528 PolarHBondContact O-N 2.96Å; G524-S528 PolarHBondContact O-OG 3.04Å; D525-S528 CarbonylContact O-C 3.57Å; D525-S528 WeakPolarHBondContact O-CA 3.24Å; D525-S528 VanDerWaalsContact O-CB 3.27Å; D525-S528 WeakPolarHBondContact O-CB 3.44Å; D525-S528 PolarHBondContact O-N 3.2Å; H526-S528 VanDerWaalsContact C-N 3.29Å; H526-S528 PolarHBondContact O-N 2.76Å; S528-Q531 PolarHBondContact O-N 2.84Å; S528-V532 WeakPolarHBondContact O-CB 3.31Å; S528-V532 VanDerWaalsContact O-CG2 3.23Å; S528-V532 WeakPolarHBondContact O-CG2 3.3Å; S528-V532 PolarHBondContact O-N 3.49Å
529	L	93.4	Very high	92.7	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-42.5	175.6	-65.6	176.3	0	0	0	112	L493 M496 L497 F503 D525 H526 S527 V532 Y533 I658	L493-L529 HydrophobicContact CD1-CB 3.99Å; L493-L529 HydrophobicContact CD1-CD1 3.75Å; L493-L529 HydrophobicContact CD1-CG 4.45Å; M496-L529 HydrophobicContact CB-CB 4.16Å; M496-L529 HydrophobicContact CE-CB 4.48Å; M496-L529 HydrophobicContact CE-CD2 4.29Å; L497-L529 HydrophobicContact CD2-CD1 3.61Å; L497-L529 HydrophobicContact CG-CD1 4.14Å; F503-L529 HydrophobicContact CE1-CD2 3.65Å; F503-L529 HydrophobicContact CE2-CD2 3.94Å; F503-L529 HydrophobicContact CZ-CD2 3.15Å; D525-L529 WeakPolarHBondContact O-CG 3.35Å; D525-L529 PolarHBondContact O-N 3.2Å; H526-L529 WeakPolarHBondContact O-CB 3.41Å; H526-L529 PolarHBondContact O-N 3.34Å; S527-L529 VanDerWaalsContact C-N 3.31Å; S527-L529 PolarHBondContact O-N 2.98Å; L529-V532 PolarHBondContact O-N 2.66Å; L529-Y533 PolarHBondContact O-N 3.29Å; L529-I658 HydrophobicContact CD1-CD1 4.47Å; L529-I658 HydrophobicContact CD1-CG2 3.98Å
530	I	94.6	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-47	175.1	-62.6	163.3	0	0	0	109.7	E489 T492 L493 H526 S527 V532 Y533 E534 F582 L591	E489-I530 HydrophobicContact CB-CD1 3.94Å; T492-I530 HydrophobicContact CG2-CG1 4.41Å; T492-I530 HydrophobicContact CG2-CG2 4.42Å; L493-I530 HydrophobicContact CB-CD1 4.4Å; L493-I530 HydrophobicContact CB-CG1 4.24Å; H526-I530 PolarHBondContact O-N 2.87Å; S527-I530 PolarHBondContact O-N 3Å; I530-V532 VanDerWaalsContact C-N 3.35Å; I530-V532 PolarHBondContact O-N 2.95Å; I530-Y533 WeakPolarHBondContact O-CB 3.28Å; I530-Y533 PolarHBondContact O-N 2.98Å; I530-Y533 VanDerWaalsContact O-N 3.15Å; I530-E534 HydrophobicContact CG2-CG 4.36Å; I530-E534 WeakPolarHBondContact O-CG 3.31Å; I530-E534 PolarHBondContact O-N 3.24Å; I530-F582 HydrophobicContact CB-CD2 4.48Å; I530-F582 HydrophobicContact CB-CE2 4Å; I530-F582 HydrophobicContact CB-CZ 4.02Å; I530-F582 HydrophobicContact CD1-CD2 4.31Å; I530-F582 HydrophobicContact CD1-CE2 3.98Å; I530-F582 HydrophobicContact CG2-CD1 4.01Å; I530-F582 HydrophobicContact CG2-CD2 3.82Å; I530-F582 HydrophobicContact CG2-CE1 4Å; I530-F582 HydrophobicContact CG2-CE2 3.81Å; I530-F582 HydrophobicContact CG2-CG 3.93Å; I530-F582 HydrophobicContact CG2-CZ 3.91Å; I530-L591 HydrophobicContact CD1-CD2 3.66Å
531	Q	93.8	Very high	93.1	Very high	55 Å²	55	35 Å²	35	26%	0.257	21%	0.207	S	C	.	.	H	α-helix	trans	-61.4	-40	178.4	-174.1	167.7	21.4	0	0	113	L519 S527 S528 A535 F582	L519-Q531 PolarHBondContact O-OE1 3.24Å; S527-Q531 PolarHBondContact O-N 3.3Å; S528-Q531 PolarHBondContact O-N 2.84Å; Q531-A535 VanDerWaalsContact O-CB 3.25Å; Q531-A535 WeakPolarHBondContact O-CB 3.43Å; Q531-A535 PolarHBondContact O-N 3.28Å; Q531-F582 HydrophobicContact CB-CE1 4.39Å
532	V	93.9	Very high	93.3	Very high	12 Å²	12	37 Å²	37	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-46.7	174	168.2	0	0	0	0	110.5	M496 L519 S528 L529 I530 A535 F536 L551 L556	M496-V532 HydrophobicContact CE-CB 4.38Å; M496-V532 HydrophobicContact CE-CG1 4.04Å; L519-V532 HydrophobicContact CB-CG2 3.9Å; L519-V532 HydrophobicContact CD1-CG2 4.04Å; S528-V532 WeakPolarHBondContact O-CB 3.31Å; S528-V532 VanDerWaalsContact O-CG2 3.23Å; S528-V532 WeakPolarHBondContact O-CG2 3.3Å; S528-V532 PolarHBondContact O-N 3.49Å; L529-V532 PolarHBondContact O-N 2.66Å; I530-V532 VanDerWaalsContact C-N 3.35Å; I530-V532 PolarHBondContact O-N 2.95Å; V532-A535 PolarHBondContact O-N 2.65Å; V532-F536 WeakPolarHBondContact O-CB 3.44Å; V532-F536 PolarHBondContact O-N 3.35Å; V532-L551 HydrophobicContact CG1-CD1 4.07Å; V532-L551 HydrophobicContact CG1-CD2 4.37Å; V532-L556 HydrophobicContact CG1-CD2 4.06Å
533	Y	94.9	Very high	93.5	Very high	16 Å²	16	37.1 Å²	37.1	6%	0.063	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-49.1	178.9	176.7	-92.5	0	0	0	111.9	T492 M496 L529 I530 A535 F536 I537 H560 R563	T492-Y533 HydrophobicContact CG2-CD1 3.28Å; T492-Y533 HydrophobicContact CG2-CD2 4.26Å; T492-Y533 HydrophobicContact CG2-CE1 3.95Å; T492-Y533 HydrophobicContact CG2-CG 3.46Å; T492-Y533 VanDerWaalsContact CG2-CG 3.46Å; M496-Y533 HydrophobicContact CG-CD2 4.4Å; M496-Y533 HydrophobicContact SD-CD2 3.99Å; M496-Y533 HydrophobicContact SD-CG 4.41Å; L529-Y533 PolarHBondContact O-N 3.29Å; I530-Y533 WeakPolarHBondContact O-CB 3.28Å; I530-Y533 PolarHBondContact O-N 2.98Å; I530-Y533 VanDerWaalsContact O-N 3.15Å; Y533-A535 VanDerWaalsContact C-N 3.33Å; Y533-A535 PolarHBondContact O-N 3.44Å; Y533-F536 WeakPolarHBondContact O-CB 3.17Å; Y533-F536 PolarHBondContact O-N 3.18Å; Y533-F536 VanDerWaalsContact O-N 3.17Å; Y533-I537 HydrophobicContact CD1-CG1 4.22Å; Y533-I537 HydrophobicContact CE1-CG1 3.75Å; Y533-I537 HydrophobicContact CE2-CD1 4.23Å; Y533-I537 HydrophobicContact CE2-CG1 4.17Å; Y533-I537 WeakPolarHBondContact O-CG1 3.45Å; Y533-I537 PolarHBondContact O-N 3.48Å; Y533-H560 HydrophobicContact CE2-CB 4.14Å; Y533-H560 AromaticContact CZ-ND1 3.81Å; Y533-H560 PolarHBondContact OH-ND1 3.16Å; Y533-R563 VanDerWaalsContact CZ-CD 3.46Å; Y533-R563 WeakPolarHBondContact OH-CD 3.32Å
534	E	94.5	Very high	93.7	Very high	57 Å²	57	38.1 Å²	38.1	27%	0.266	23%	0.225	S	C	.	.	H	α-helix	trans	-59.6	-44.3	178.7	-72.2	-178.1	174	0	0	111.7	I530 F536 I537 Q538 F582	I530-E534 HydrophobicContact CG2-CG 4.36Å; I530-E534 WeakPolarHBondContact O-CG 3.31Å; I530-E534 PolarHBondContact O-N 3.24Å; E534-F536 VanDerWaalsContact C-N 3.31Å; E534-F536 PolarHBondContact O-N 2.77Å; E534-I537 PolarHBondContact O-N 2.53Å; E534-Q538 WeakPolarHBondContact O-CB 3.32Å; E534-Q538 WeakPolarHBondContact O-CG 3.48Å; E534-Q538 PolarHBondContact O-N 3.46Å; E534-F582 WeakPolarHBondContact OE1-CD1 3.49Å; E534-F582 WeakPolarHBondContact OE2-CD1 3.38Å
535	A	94.6	Very high	93.9	Very high	17 Å²	17	39.8 Å²	39.8	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-34.4	177.9	0	0	0	0	0	112.5	L519 Q531 V532 Y533 S539 W545	L519-A535 HydrophobicContact CD2-CB 3.74Å; Q531-A535 VanDerWaalsContact O-CB 3.25Å; Q531-A535 WeakPolarHBondContact O-CB 3.43Å; Q531-A535 PolarHBondContact O-N 3.28Å; V532-A535 PolarHBondContact O-N 2.65Å; Y533-A535 VanDerWaalsContact C-N 3.33Å; Y533-A535 PolarHBondContact O-N 3.44Å; A535-S539 WeakPolarHBondContact O-CB 3.41Å; A535-S539 PolarHBondContact O-N 3.02Å; A535-W545 HydrophobicContact CB-CH2 3.9Å; A535-W545 HydrophobicContact CB-CZ2 3.67Å
536	F	94.9	Very high	93.8	Very high	1 Å²	1	39 Å²	39	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-42.4	173.5	170.3	-109.9	0	0	0	112.3	V532 Y533 E534 S539 A541 W545 C546 W553 L556	V532-F536 WeakPolarHBondContact O-CB 3.44Å; V532-F536 PolarHBondContact O-N 3.35Å; Y533-F536 WeakPolarHBondContact O-CB 3.17Å; Y533-F536 PolarHBondContact O-N 3.18Å; Y533-F536 VanDerWaalsContact O-N 3.17Å; E534-F536 VanDerWaalsContact C-N 3.31Å; E534-F536 PolarHBondContact O-N 2.77Å; F536-S539 PolarHBondContact O-N 2.92Å; F536-S539 PolarHBondContact O-OG 3.35Å; F536-A541 HydrophobicContact CE1-CB 3.92Å; F536-A541 VanDerWaalsContact CE2-CA 3.41Å; F536-A541 HydrophobicContact CE2-CB 3.83Å; F536-A541 HydrophobicContact CZ-CB 3.44Å; F536-A541 VanDerWaalsContact CZ-CB 3.44Å; F536-A541 WeakPolarHBondContact O-CA 3.07Å; F536-A541 PolarHBondContact O-N 3.02Å; F536-W545 HydrophobicContact CB-CH2 4.28Å; F536-W545 HydrophobicContact CB-CZ3 3.88Å; F536-W545 HydrophobicContact CD2-CE3 4.34Å; F536-W545 HydrophobicContact CD2-CZ3 4.24Å; F536-C546 VanDerWaalsContact CD2-SG 3.54Å; F536-C546 VanDerWaalsContact CE2-SG 3.58Å; F536-W553 AromaticContact CE2-CD1 3.88Å; F536-L556 HydrophobicContact CB-CD1 4.27Å; F536-L556 HydrophobicContact CD1-CB 3.97Å; F536-L556 HydrophobicContact CD2-CB 4.23Å; F536-L556 HydrophobicContact CD2-CD1 3.79Å; F536-L556 HydrophobicContact CE1-CB 3.81Å; F536-L556 HydrophobicContact CE2-CB 4.06Å; F536-L556 HydrophobicContact CE2-CD1 4.23Å; F536-L556 HydrophobicContact CG-CB 4.17Å; F536-L556 HydrophobicContact CG-CD1 3.97Å; F536-L556 HydrophobicContact CZ-CB 3.84Å
537	I	95.4	Very high	93.5	Very high	69 Å²	69	44.3 Å²	44.3	35%	0.354	25%	0.252	S	S	.	.	H	α-helix	trans	-67.8	-41.2	175.7	-62	-56.8	0	0	0	110.9	Y533 E534 S539 G540	Y533-I537 HydrophobicContact CD1-CG1 4.22Å; Y533-I537 HydrophobicContact CE1-CG1 3.75Å; Y533-I537 HydrophobicContact CE2-CD1 4.23Å; Y533-I537 HydrophobicContact CE2-CG1 4.17Å; Y533-I537 WeakPolarHBondContact O-CG1 3.45Å; Y533-I537 PolarHBondContact O-N 3.48Å; E534-I537 PolarHBondContact O-N 2.53Å; I537-S539 VanDerWaalsContact C-N 3.29Å; I537-S539 PolarHBondContact O-N 2.89Å; I537-G540 PolarHBondContact O-N 2.92Å
538	Q	95.4	Very high	93.3	Very high	158 Å²	158	46.1 Å²	46.1	74%	0.738	27%	0.268	S	S	*	.	H	α-helix	trans	-65	-29.8	177.3	-72.4	171.3	22.4	0	0	113.2	E534 G540	E534-Q538 WeakPolarHBondContact O-CB 3.32Å; E534-Q538 WeakPolarHBondContact O-CG 3.48Å; E534-Q538 PolarHBondContact O-N 3.46Å; Q538-G540 PolarHBondContact O-N 2.83Å
539	S	95	Very high	93.2	Very high	37 Å²	37	47.9 Å²	47.9	26%	0.259	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.5	173.6	76.4	0	0	0	0	113.2	A535 F536 I537	A535-S539 WeakPolarHBondContact O-CB 3.41Å; A535-S539 PolarHBondContact O-N 3.02Å; F536-S539 PolarHBondContact O-N 2.92Å; F536-S539 PolarHBondContact O-OG 3.35Å; I537-S539 VanDerWaalsContact C-N 3.29Å; I537-S539 PolarHBondContact O-N 2.89Å
540	G	94.3	Very high	92.9	Very high	63 Å²	63	47.4 Å²	47.4	65%	0.649	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	28	-174.9	0	0	0	0	0	113.2	I537 Q538 D542	I537-G540 PolarHBondContact O-N 2.92Å; Q538-G540 PolarHBondContact O-N 2.83Å; G540-D542 VanDerWaalsContact C-N 3.27Å; G540-D542 PolarHBondContact O-N 2.85Å
541	A	92.8	Very high	92.6	Very high	38 Å²	38	47.9 Å²	47.9	31%	0.314	27%	0.273	S	S	.	.	S	Bend	trans	58.2	36.2	-175.7	0	0	0	0	0	113.6	F536 W553	F536-A541 HydrophobicContact CE1-CB 3.92Å; F536-A541 VanDerWaalsContact CE2-CA 3.41Å; F536-A541 HydrophobicContact CE2-CB 3.83Å; F536-A541 HydrophobicContact CZ-CB 3.44Å; F536-A541 VanDerWaalsContact CZ-CB 3.44Å; F536-A541 WeakPolarHBondContact O-CA 3.07Å; F536-A541 PolarHBondContact O-N 3.02Å; A541-W553 PolarHBondContact O-NE1 2.68Å
542	D	93.6	Very high	92.1	Very high	74 Å²	74	47.4 Å²	47.4	40%	0.396	27%	0.272	S	S	.	.			trans	-71.3	127.4	-175.6	176.4	29.2	0	0	0	112.5	G540 A544 W545 C546	G540-D542 VanDerWaalsContact C-N 3.27Å; G540-D542 PolarHBondContact O-N 2.85Å; D542-A544 PolarHBondContact OD1-N 3.35Å; D542-A544 VanDerWaalsContact OD1-N 3.07Å; D542-W545 HydrophobicContact CB-CB 3.84Å; D542-W545 WeakPolarHBondContact OD2-CB 3.32Å; D542-W545 PolarHBondContact OD2-N 2.84Å; D542-C546 PolarHBondContact O-N 3.48Å; D542-C546 PolarHBondContact O-SG 2.87Å
543	E	91.6	Very high	91.8	Very high	97 Å²	97	50.3 Å²	50.3	45%	0.453	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-40.9	177.6	-169.6	-175.3	168.8	0	0	111.5	W545 C546 Q547 W553	E543-W545 VanDerWaalsContact C-N 3.31Å; E543-W545 PolarHBondContact O-N 2.88Å; E543-C546 WeakPolarHBondContact O-CB 3.38Å; E543-C546 PolarHBondContact O-N 3.22Å; E543-C546 VanDerWaalsContact O-N 3.12Å; E543-Q547 HydrophobicContact CG-CG 4.47Å; E543-Q547 WeakPolarHBondContact O-CG 3.23Å; E543-Q547 PolarHBondContact O-N 3.16Å; E543-Q547 PolarHBondContact OE1-NE2 3.31Å; E543-W553 VanDerWaalsContact CA-CD1 3.5Å; E543-W553 HydrophobicContact CB-CD2 4.38Å; E543-W553 HydrophobicContact CB-CG 4.01Å; E543-W553 HydrophobicContact CG-CB 3.98Å; E543-W553 HydrophobicContact CG-CD2 4.23Å; E543-W553 HydrophobicContact CG-CG 3.86Å
544	A	92.6	Very high	91.2	Very high	57 Å²	57	50.8 Å²	50.8	47%	0.471	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-38.5	179.7	0	0	0	0	0	111.3	D542 C546 Q547 A548	D542-A544 PolarHBondContact OD1-N 3.35Å; D542-A544 VanDerWaalsContact OD1-N 3.07Å; A544-C546 VanDerWaalsContact C-N 3.31Å; A544-C546 PolarHBondContact O-N 2.92Å; A544-Q547 PolarHBondContact O-N 3.33Å; A544-A548 WeakPolarHBondContact O-CB 2.92Å; A544-A548 PolarHBondContact O-N 2.79Å
545	W	94	Very high	90.8	Very high	36 Å²	36	48.5 Å²	48.5	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-40.7	172.5	-179.5	98.9	0	0	0	112.8	L519 A535 F536 D542 E543 R549 L551	L519-W545 HydrophobicContact CD1-CH2 3.88Å; L519-W545 HydrophobicContact CD1-CZ2 4.14Å; L519-W545 HydrophobicContact CD2-CZ2 4.45Å; A535-W545 HydrophobicContact CB-CH2 3.9Å; A535-W545 HydrophobicContact CB-CZ2 3.67Å; F536-W545 HydrophobicContact CB-CH2 4.28Å; F536-W545 HydrophobicContact CB-CZ3 3.88Å; F536-W545 HydrophobicContact CD2-CE3 4.34Å; F536-W545 HydrophobicContact CD2-CZ3 4.24Å; D542-W545 HydrophobicContact CB-CB 3.84Å; D542-W545 WeakPolarHBondContact OD2-CB 3.32Å; D542-W545 PolarHBondContact OD2-N 2.84Å; E543-W545 VanDerWaalsContact C-N 3.31Å; E543-W545 PolarHBondContact O-N 2.88Å; W545-R549 VanDerWaalsContact CE2-CZ 3.5Å; W545-R549 PolarHBondContact O-NH1 3.15Å; W545-R549 VanDerWaalsContact O-NH1 3.1Å; W545-L551 HydrophobicContact CE3-CD1 4.44Å; W545-L551 HydrophobicContact CH2-CD1 3.83Å; W545-L551 HydrophobicContact CZ3-CD1 3.54Å
546	C	90.9	Very high	90.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-49.5	176.8	-64.1	0	0	0	0	111	F536 D542 E543 A544 A548 R549 G550 L551 W553	F536-C546 VanDerWaalsContact CD2-SG 3.54Å; F536-C546 VanDerWaalsContact CE2-SG 3.58Å; D542-C546 PolarHBondContact O-N 3.48Å; D542-C546 PolarHBondContact O-SG 2.87Å; E543-C546 WeakPolarHBondContact O-CB 3.38Å; E543-C546 PolarHBondContact O-N 3.22Å; E543-C546 VanDerWaalsContact O-N 3.12Å; A544-C546 VanDerWaalsContact C-N 3.31Å; A544-C546 PolarHBondContact O-N 2.92Å; C546-A548 VanDerWaalsContact C-N 3.32Å; C546-A548 PolarHBondContact O-N 2.72Å; C546-R549 CarbonylContact O-C 3.54Å; C546-R549 PolarHBondContact O-N 2.71Å; C546-G550 PolarHBondContact O-N 3.37Å; C546-G550 VanDerWaalsContact O-N 3.07Å; C546-L551 CarbonylContact C-O 3.4Å; C546-L551 HydrophobicContact CB-CB 4.1Å; C546-L551 PolarHBondContact O-N 3.25Å; C546-W553 HydrophobicContact CB-CB 4.02Å
547	Q	87.1	Confident	90.3	Very high	112 Å²	112	49.1 Å²	49.1	52%	0.523	28%	0.283	S	S	.	.	H	α-helix	trans	-57.8	-42.7	-179.7	-70.8	178.8	8	0	0	112	E543 A544 R549 G550	E543-Q547 HydrophobicContact CG-CG 4.47Å; E543-Q547 WeakPolarHBondContact O-CG 3.23Å; E543-Q547 PolarHBondContact O-N 3.16Å; E543-Q547 PolarHBondContact OE1-NE2 3.31Å; A544-Q547 PolarHBondContact O-N 3.33Å; Q547-R549 PolarHBondContact O-N 3.04Å; Q547-R549 VanDerWaalsContact O-N 3.11Å; Q547-G550 PolarHBondContact O-N 3.24Å
548	A	89.4	Confident	89.9	Confident	47 Å²	47	50 Å²	50	39%	0.388	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.7	177.6	0	0	0	0	0	114	L515 A544 C546	L515-A548 HydrophobicContact CD1-CB 4.47Å; L515-A548 WeakPolarHBondContact CD1-O 3.18Å; A544-A548 WeakPolarHBondContact O-CB 2.92Å; A544-A548 PolarHBondContact O-N 2.79Å; C546-A548 VanDerWaalsContact C-N 3.32Å; C546-A548 PolarHBondContact O-N 2.72Å
549	R	90.7	Very high	89.7	Confident	49 Å²	49	42.5 Å²	42.5	19%	0.185	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	2.4	178.3	-70.5	167.6	178.9	74.6	1.5	112.8	L515 R516 W545 C546 Q547 L551	L515-R549 HydrophobicContact CB-CG 3.85Å; R516-R549 PolarHBondContact NE-O 3.24Å; R516-R549 PolarHBondContact NH2-O 3.46Å; W545-R549 VanDerWaalsContact CE2-CZ 3.5Å; W545-R549 PolarHBondContact O-NH1 3.15Å; W545-R549 VanDerWaalsContact O-NH1 3.1Å; C546-R549 CarbonylContact O-C 3.54Å; C546-R549 PolarHBondContact O-N 2.71Å; Q547-R549 PolarHBondContact O-N 3.04Å; Q547-R549 VanDerWaalsContact O-N 3.11Å; R549-L551 HydrophobicContact CB-CD1 3.98Å; R549-L551 HydrophobicContact CB-CG 3.88Å; R549-L551 PolarHBondContact O-N 2.98Å
550	G	85.7	Confident	89.6	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.01	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	31.5	-171.2	0	0	0	0	0	114	R505 E512 R516 C546 Q547	R505-G550 PolarHBondContact N-O 3.16Å; E512-G550 WeakPolarHBondContact OE1-CA 3.24Å; E512-G550 PolarHBondContact OE1-N 3.35Å; R516-G550 VanDerWaalsContact NH2-C 3.28Å; R516-G550 VanDerWaalsContact NH2-CA 3.32Å; R516-G550 PolarHBondContact NH2-O 3.46Å; C546-G550 PolarHBondContact O-N 3.37Å; C546-G550 VanDerWaalsContact O-N 3.07Å; Q547-G550 PolarHBondContact O-N 3.24Å
551	L	88.3	Confident	89.5	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.052	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-85.7	141.6	171.7	-58.9	172.6	0	0	0	109.1	F503 T504 L519 V532 W545 C546 R549 W553 L556	F503-L551 HydrophobicContact CD2-CD2 4.14Å; F503-L551 CarbonylContact O-C 3.57Å; F503-L551 WeakPolarHBondContact O-CA 3.43Å; T504-L551 HydrophobicContact CG2-CD2 3.77Å; L519-L551 HydrophobicContact CD1-CD1 4.04Å; V532-L551 HydrophobicContact CG1-CD1 4.07Å; V532-L551 HydrophobicContact CG1-CD2 4.37Å; W545-L551 HydrophobicContact CE3-CD1 4.44Å; W545-L551 HydrophobicContact CH2-CD1 3.83Å; W545-L551 HydrophobicContact CZ3-CD1 3.54Å; C546-L551 CarbonylContact C-O 3.4Å; C546-L551 HydrophobicContact CB-CB 4.1Å; C546-L551 PolarHBondContact O-N 3.25Å; R549-L551 HydrophobicContact CB-CD1 3.98Å; R549-L551 HydrophobicContact CB-CG 3.88Å; R549-L551 PolarHBondContact O-N 2.98Å; L551-W553 PolarHBondContact O-N 3.05Å; L551-L556 HydrophobicContact CB-CD1 4.03Å; L551-L556 HydrophobicContact CD1-CD1 4.3Å
552	N	84.5	Confident	89.5	Confident	45 Å²	45	43 Å²	43	24%	0.241	23%	0.225	C	C	.	.			trans	-81.6	109.5	173.7	-170.8	-25.8	0	0	0	109.1	D303 G502 F503 A554 A555 L556	D303-N552 PolarHBondContact O-ND2 2.66Å; G502-N552 WeakPolarHBondContact O-CB 3.45Å; G502-N552 PolarHBondContact O-ND2 3.07Å; F503-N552 PolarHBondContact O-N 3.43Å; N552-A554 VanDerWaalsContact C-N 3.31Å; N552-A554 PolarHBondContact O-N 2.93Å; N552-A554 WeakPolarHBondContact OD1-CB 3.25Å; N552-A554 PolarHBondContact OD1-N 3.5Å; N552-A555 HydrophobicContact CB-CB 4.03Å; N552-A555 PolarHBondContact O-N 3.45Å; N552-A555 PolarHBondContact OD1-N 3.13Å; N552-L556 PolarHBondContact O-N 3.13Å
553	W	88	Confident	89.5	Confident	72 Å²	72	41 Å²	41	27%	0.273	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-41.8	179.3	174.4	84.1	0	0	0	112.3	F536 A541 E543 C546 L551 A555 L556 C557	F536-W553 AromaticContact CE2-CD1 3.88Å; A541-W553 PolarHBondContact O-NE1 2.68Å; E543-W553 VanDerWaalsContact CA-CD1 3.5Å; E543-W553 HydrophobicContact CB-CD2 4.38Å; E543-W553 HydrophobicContact CB-CG 4.01Å; E543-W553 HydrophobicContact CG-CB 3.98Å; E543-W553 HydrophobicContact CG-CD2 4.23Å; E543-W553 HydrophobicContact CG-CG 3.86Å; C546-W553 HydrophobicContact CB-CB 4.02Å; L551-W553 PolarHBondContact O-N 3.05Å; W553-A555 PolarHBondContact O-N 3.15Å; W553-L556 PolarHBondContact O-N 3.46Å; W553-C557 VanDerWaalsContact CZ2-SG 3.57Å; W553-C557 PolarHBondContact O-N 3.24Å; W553-C557 PolarHBondContact O-SG 3.32Å
554	A	82.7	Confident	89.7	Confident	26 Å²	26	42.6 Å²	42.6	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-42	-178.2	0	0	0	0	0	111.8	N552 C557 Q558	N552-A554 VanDerWaalsContact C-N 3.31Å; N552-A554 PolarHBondContact O-N 2.93Å; N552-A554 WeakPolarHBondContact OD1-CB 3.25Å; N552-A554 PolarHBondContact OD1-N 3.5Å; A554-C557 PolarHBondContact O-N 2.96Å; A554-Q558 WeakPolarHBondContact O-CB 3.34Å; A554-Q558 PolarHBondContact O-N 2.91Å
555	A	84.6	Confident	89.7	Confident	9 Å²	9	43 Å²	43	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-40.8	176.6	0	0	0	0	0	112.1	F503 N552 W553 Q558 A559	F503-A555 HydrophobicContact CB-CB 3.87Å; N552-A555 HydrophobicContact CB-CB 4.03Å; N552-A555 PolarHBondContact O-N 3.45Å; N552-A555 PolarHBondContact OD1-N 3.13Å; W553-A555 PolarHBondContact O-N 3.15Å; A555-Q558 WeakPolarHBondContact O-CB 3.39Å; A555-Q558 PolarHBondContact O-N 3.43Å; A555-A559 PolarHBondContact O-N 3.43Å
556	L	90.8	Very high	89.7	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-39.4	176.2	-71.1	172	0	0	0	112.4	M496 F503 V532 F536 L551 N552 W553 Q558 A559 H560	M496-L556 HydrophobicContact CE-CD2 3.7Å; M496-L556 HydrophobicContact SD-CD2 3.9Å; F503-L556 HydrophobicContact CB-CD2 4.48Å; F503-L556 HydrophobicContact CB-CG 4.46Å; V532-L556 HydrophobicContact CG1-CD2 4.06Å; F536-L556 HydrophobicContact CB-CD1 4.27Å; F536-L556 HydrophobicContact CD1-CB 3.97Å; F536-L556 HydrophobicContact CD2-CB 4.23Å; F536-L556 HydrophobicContact CD2-CD1 3.79Å; F536-L556 HydrophobicContact CE1-CB 3.81Å; F536-L556 HydrophobicContact CE2-CB 4.06Å; F536-L556 HydrophobicContact CE2-CD1 4.23Å; F536-L556 HydrophobicContact CG-CB 4.17Å; F536-L556 HydrophobicContact CG-CD1 3.97Å; F536-L556 HydrophobicContact CZ-CB 3.84Å; L551-L556 HydrophobicContact CB-CD1 4.03Å; L551-L556 HydrophobicContact CD1-CD1 4.3Å; N552-L556 PolarHBondContact O-N 3.13Å; W553-L556 PolarHBondContact O-N 3.46Å; L556-Q558 VanDerWaalsContact C-N 3.3Å; L556-Q558 PolarHBondContact O-N 3.06Å; L556-A559 PolarHBondContact O-N 3.42Å; L556-H560 PolarHBondContact O-N 3.06Å
557	C	89.2	Confident	90	Very high	31 Å²	31	43.6 Å²	43.6	21%	0.209	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-39.9	171.5	-73.4	0	0	0	0	111.8	W553 A554 H560 K561	W553-C557 VanDerWaalsContact CZ2-SG 3.57Å; W553-C557 PolarHBondContact O-N 3.24Å; W553-C557 PolarHBondContact O-SG 3.32Å; A554-C557 PolarHBondContact O-N 2.96Å; C557-H560 PolarHBondContact O-N 3.45Å; C557-K561 WeakPolarHBondContact O-CG 3.29Å; C557-K561 PolarHBondContact O-N 3.18Å
558	Q	86.1	Confident	90.3	Very high	86 Å²	86	43.2 Å²	43.2	40%	0.402	21%	0.209	S	C	.	.	H	α-helix	trans	-66.4	-42.1	176.8	-165.3	173.7	3.3	0	0	111.6	Q133 A554 A555 L556 H560 K561 L562	Q133-Q558 HydrophobicContact CB-CG 4.15Å; Q133-Q558 HydrophobicContact CG-CG 4.09Å; A554-Q558 WeakPolarHBondContact O-CB 3.34Å; A554-Q558 PolarHBondContact O-N 2.91Å; A555-Q558 WeakPolarHBondContact O-CB 3.39Å; A555-Q558 PolarHBondContact O-N 3.43Å; L556-Q558 VanDerWaalsContact C-N 3.3Å; L556-Q558 PolarHBondContact O-N 3.06Å; Q558-H560 VanDerWaalsContact C-N 3.32Å; Q558-H560 PolarHBondContact O-N 3.09Å; Q558-K561 PolarHBondContact O-N 2.58Å; Q558-L562 WeakPolarHBondContact O-CB 3.49Å; Q558-L562 PolarHBondContact O-N 2.84Å
559	A	91.8	Very high	90.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-43.1	171.8	0	0	0	0	0	111.5	A495 M496 A499 A555 L556 K561 L562 R563	A495-A559 WeakPolarHBondContact CB-O 3.34Å; M496-A559 HydrophobicContact SD-CB 3.75Å; A499-A559 HydrophobicContact CB-CB 3.79Å; A555-A559 PolarHBondContact O-N 3.43Å; L556-A559 PolarHBondContact O-N 3.42Å; A559-K561 PolarHBondContact O-N 2.91Å; A559-L562 PolarHBondContact O-N 2.87Å; A559-R563 WeakPolarHBondContact O-CB 3.43Å; A559-R563 PolarHBondContact O-N 3.17Å
560	H	93.3	Very high	90.7	Very high	77 Å²	77	39.4 Å²	39.4	36%	0.356	19%	0.186	S	C	.	.	H	α-helix	trans	-61.3	-42.8	176.6	-176.7	58.1	0	0	0	112.8	Y533 L556 C557 Q558 R564	Y533-H560 HydrophobicContact CE2-CB 4.14Å; Y533-H560 AromaticContact CZ-ND1 3.81Å; Y533-H560 PolarHBondContact OH-ND1 3.16Å; L556-H560 PolarHBondContact O-N 3.06Å; C557-H560 PolarHBondContact O-N 3.45Å; Q558-H560 VanDerWaalsContact C-N 3.32Å; Q558-H560 PolarHBondContact O-N 3.09Å; H560-R564 PolarHBondContact O-N 2.97Å
561	K	91.5	Very high	91.1	Very high	69 Å²	69	44.4 Å²	44.4	30%	0.3	21%	0.209	S	C	.	.	H	α-helix	trans	-62.1	-49.8	174	-69	177.7	-176.4	-178.7	0	111.5	Q133 E134 C557 Q558 A559 R563 R564 E565	Q133-K561 HydrophobicContact CB-CB 4.23Å; Q133-K561 HydrophobicContact CB-CD 4.49Å; E134-K561 IonicContact OE1-NZ 3.54Å; E134-K561 PolarHBondContact OE1-NZ 3.15Å; E134-K561 VanDerWaalsContact OE1-NZ 3.14Å; C557-K561 WeakPolarHBondContact O-CG 3.29Å; C557-K561 PolarHBondContact O-N 3.18Å; Q558-K561 PolarHBondContact O-N 2.58Å; A559-K561 PolarHBondContact O-N 2.91Å; K561-R563 VanDerWaalsContact C-N 3.33Å; K561-R563 PolarHBondContact O-N 3.25Å; K561-R564 WeakPolarHBondContact O-CB 3.26Å; K561-R564 PolarHBondContact O-N 3.29Å; K561-R564 VanDerWaalsContact O-N 3.09Å; K561-E565 PolarHBondContact O-N 3.12Å
562	L	92.1	Very high	91.4	Very high	3 Å²	3	51 Å²	51	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-42.8	179.7	177.9	54.7	0	0	0	111.8	Q133 A495 T498 Q558 A559 R564 E565 L566	Q133-L562 HydrophobicContact CG-CB 3.78Å; Q133-L562 HydrophobicContact CG-CD1 4.4Å; A495-L562 HydrophobicContact CB-CB 4.24Å; A495-L562 HydrophobicContact CB-CD2 4.38Å; A495-L562 HydrophobicContact CB-CG 4.16Å; T498-L562 VanDerWaalsContact CB-CD2 3.47Å; T498-L562 HydrophobicContact CG2-CD2 3.59Å; Q558-L562 WeakPolarHBondContact O-CB 3.49Å; Q558-L562 PolarHBondContact O-N 2.84Å; A559-L562 PolarHBondContact O-N 2.87Å; L562-R564 VanDerWaalsContact C-N 3.26Å; L562-R564 PolarHBondContact O-N 3.25Å; L562-E565 PolarHBondContact O-N 3.07Å; L562-L566 HydrophobicContact CD1-CD1 4.06Å; L562-L566 HydrophobicContact CD1-CD2 4.3Å; L562-L566 HydrophobicContact CD1-CG 3.85Å; L562-L566 HydrophobicContact CG-CD1 3.95Å; L562-L566 HydrophobicContact CG-CG 4.23Å; L562-L566 WeakPolarHBondContact O-CB 3.46Å; L562-L566 VanDerWaalsContact O-CG 3.3Å; L562-L566 WeakPolarHBondContact O-CG 3.38Å; L562-L566 PolarHBondContact O-N 2.87Å
563	R	95.4	Very high	91.7	Very high	33 Å²	33	50.8 Å²	50.8	13%	0.125	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-41.5	176.5	-168.6	-166.7	178.2	-77	6.6	111.5	D488 L491 T492 A495 Y533 A559 K561 L567	D488-R563 IonicContact OD1-CZ 3.66Å; D488-R563 IonicContact OD1-NH2 3.62Å; D488-R563 PolarHBondContact OD1-NH2 2.86Å; D488-R563 IonicContact OD2-NH2 2.76Å; D488-R563 PolarHBondContact OD2-NH2 3.16Å; L491-R563 HydrophobicContact CD2-CG 3.67Å; L491-R563 HydrophobicContact CG-CG 3.81Å; T492-R563 PolarHBondContact OG1-NE 2.82Å; A495-R563 HydrophobicContact CB-CB 3.67Å; A495-R563 HydrophobicContact CB-CG 4.37Å; Y533-R563 VanDerWaalsContact CZ-CD 3.46Å; Y533-R563 WeakPolarHBondContact OH-CD 3.32Å; A559-R563 WeakPolarHBondContact O-CB 3.43Å; A559-R563 PolarHBondContact O-N 3.17Å; K561-R563 VanDerWaalsContact C-N 3.33Å; K561-R563 PolarHBondContact O-N 3.25Å; R563-L567 WeakPolarHBondContact O-CB 3.48Å; R563-L567 PolarHBondContact O-N 2.8Å
564	R	94.8	Very high	92	Very high	130 Å²	130	55.8 Å²	55.8	49%	0.491	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-44.3	176.8	-174.6	-178.2	65.3	-152	-2.7	111.7	H560 K561 L562 L566 L567 E568	H560-R564 PolarHBondContact O-N 2.97Å; K561-R564 WeakPolarHBondContact O-CB 3.26Å; K561-R564 PolarHBondContact O-N 3.29Å; K561-R564 VanDerWaalsContact O-N 3.09Å; L562-R564 VanDerWaalsContact C-N 3.26Å; L562-R564 PolarHBondContact O-N 3.25Å; R564-L566 PolarHBondContact O-N 3.15Å; R564-L567 WeakPolarHBondContact O-CB 3.38Å; R564-L567 PolarHBondContact O-N 2.8Å; R564-E568 WeakPolarHBondContact CG-OE1 3.42Å; R564-E568 IonicContact NE-OE1 3.91Å; R564-E568 WeakPolarHBondContact O-CG 3.37Å; R564-E568 PolarHBondContact O-N 3.25Å
565	E	92.7	Very high	92.6	Very high	66 Å²	66	56.1 Å²	56.1	31%	0.308	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177.7	-71.4	170.1	-174.3	0	0	112.2	Q133 K561 L562 L567 E568 L569	Q133-E565 WeakPolarHBondContact CA-OE1 2.91Å; K561-E565 PolarHBondContact O-N 3.12Å; L562-E565 PolarHBondContact O-N 3.07Å; E565-L567 VanDerWaalsContact C-N 3.33Å; E565-L567 PolarHBondContact O-N 3.26Å; E565-E568 PolarHBondContact O-N 2.83Å; E565-L569 WeakPolarHBondContact O-CB 3.24Å; E565-L569 PolarHBondContact O-N 3.24Å
566	L	94.9	Very high	93	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-39.9	174.5	-67.5	173.4	0	0	0	111.3	F468 P469 L470 L491 A494 L562 R564 L569 M570	F468-L566 HydrophobicContact CD1-CD2 3.9Å; F468-L566 HydrophobicContact CE1-CD2 4.47Å; P469-L566 HydrophobicContact CG-CD2 4.33Å; L470-L566 HydrophobicContact CD1-CD1 4.25Å; L470-L566 HydrophobicContact CD1-CD2 3.91Å; L470-L566 HydrophobicContact CD2-CD1 4.32Å; L470-L566 HydrophobicContact CD2-CD2 4.36Å; L470-L566 HydrophobicContact CG-CD2 4.12Å; L491-L566 HydrophobicContact CD1-CB 3.46Å; L491-L566 VanDerWaalsContact CD1-CB 3.46Å; L491-L566 HydrophobicContact CD1-CD1 4.46Å; L491-L566 HydrophobicContact CG-CB 4.46Å; A494-L566 HydrophobicContact CB-CD1 4.26Å; L562-L566 HydrophobicContact CD1-CD1 4.06Å; L562-L566 HydrophobicContact CD1-CD2 4.3Å; L562-L566 HydrophobicContact CD1-CG 3.85Å; L562-L566 HydrophobicContact CG-CD1 3.95Å; L562-L566 HydrophobicContact CG-CG 4.23Å; L562-L566 WeakPolarHBondContact O-CB 3.46Å; L562-L566 VanDerWaalsContact O-CG 3.3Å; L562-L566 WeakPolarHBondContact O-CG 3.38Å; L562-L566 PolarHBondContact O-N 2.87Å; R564-L566 PolarHBondContact O-N 3.15Å; L566-L569 WeakPolarHBondContact O-CB 3.24Å; L566-L569 PolarHBondContact O-N 3.1Å; L566-M570 VanDerWaalsContact O-CG 3.3Å; L566-M570 WeakPolarHBondContact O-CG 3.2Å; L566-M570 PolarHBondContact O-N 2.95Å
567	L	96	Very high	93.1	Very high	46 Å²	46	63.2 Å²	63.2	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-47.4	175.7	-175.6	60.9	0	0	0	111.6	L491 R563 R564 E565 L569 M570 Q571 L577	L491-L567 HydrophobicContact CD2-CB 3.91Å; L491-L567 HydrophobicContact CD2-CD1 4.16Å; R563-L567 WeakPolarHBondContact O-CB 3.48Å; R563-L567 PolarHBondContact O-N 2.8Å; R564-L567 WeakPolarHBondContact O-CB 3.38Å; R564-L567 PolarHBondContact O-N 2.8Å; E565-L567 VanDerWaalsContact C-N 3.33Å; E565-L567 PolarHBondContact O-N 3.26Å; L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 PolarHBondContact O-N 3.4Å; L567-M570 PolarHBondContact O-N 3.39Å; L567-Q571 WeakPolarHBondContact O-CB 3.41Å; L567-Q571 VanDerWaalsContact O-CG 3.28Å; L567-Q571 WeakPolarHBondContact O-CG 3.25Å; L567-Q571 PolarHBondContact O-N 2.9Å; L567-L577 HydrophobicContact CD1-CD1 3.82Å; L567-L577 HydrophobicContact CD1-CD2 3.98Å
568	E	94.6	Very high	93.3	Very high	105 Å²	105	62.7 Å²	62.7	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-39.9	177.1	-71.9	172	-166.8	0	0	111.2	R564 E565 Q571 R572	R564-E568 WeakPolarHBondContact CG-OE1 3.42Å; R564-E568 IonicContact NE-OE1 3.91Å; R564-E568 WeakPolarHBondContact O-CG 3.37Å; R564-E568 PolarHBondContact O-N 3.25Å; E565-E568 PolarHBondContact O-N 2.83Å; E568-Q571 PolarHBondContact O-N 3.07Å; E568-R572 VanDerWaalsContact O-CB 3.26Å; E568-R572 WeakPolarHBondContact O-CB 3.32Å; E568-R572 PolarHBondContact O-N 2.71Å
569	L	92.6	Very high	93.5	Very high	16 Å²	16	65.7 Å²	65.7	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-48.3	174.2	178.5	62.1	0	0	0	111.8	E467 F468 E565 L566 L567 Q571 R572 I573	E467-L569 WeakPolarHBondContact O-CD2 3.42Å; F468-L569 HydrophobicContact CB-CD2 4.48Å; F468-L569 HydrophobicContact CD1-CD2 3.49Å; F468-L569 VanDerWaalsContact CD1-CD2 3.49Å; F468-L569 HydrophobicContact CD1-CG 4.43Å; F468-L569 HydrophobicContact CE1-CD2 3.71Å; F468-L569 HydrophobicContact CE1-CG 4.17Å; F468-L569 HydrophobicContact CG-CD2 3.94Å; F468-L569 HydrophobicContact CZ-CD2 4.31Å; F468-L569 HydrophobicContact CZ-CG 4.49Å; E565-L569 WeakPolarHBondContact O-CB 3.24Å; E565-L569 PolarHBondContact O-N 3.24Å; L566-L569 WeakPolarHBondContact O-CB 3.24Å; L566-L569 PolarHBondContact O-N 3.1Å; L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 PolarHBondContact O-N 3.4Å; L569-Q571 VanDerWaalsContact C-N 3.34Å; L569-Q571 PolarHBondContact O-N 3.42Å; L569-R572 WeakPolarHBondContact O-CB 3.33Å; L569-R572 PolarHBondContact O-N 2.89Å; L569-I573 HydrophobicContact CD1-CD1 3.64Å; L569-I573 HydrophobicContact CD1-CG1 4.25Å; L569-I573 HydrophobicContact CG-CD1 3.9Å; L569-I573 WeakPolarHBondContact O-CG1 3.29Å; L569-I573 PolarHBondContact O-N 3.49Å
570	M	94.9	Very high	93.4	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-42.4	177.9	-71.6	-175.3	77	0	0	111.7	F468 L478 V487 L491 L566 L567 R572 I573 E574 L575 L577	F468-M570 HydrophobicContact CE1-CG 3.91Å; F468-M570 HydrophobicContact CZ-CG 3.95Å; L478-M570 HydrophobicContact CD1-SD 4.07Å; L478-M570 HydrophobicContact CD2-SD 4.11Å; L478-M570 HydrophobicContact CG-SD 4.08Å; V487-M570 HydrophobicContact CG1-CE 3.62Å; V487-M570 HydrophobicContact CG1-SD 4.04Å; L491-M570 HydrophobicContact CD1-SD 3.84Å; L566-M570 VanDerWaalsContact O-CG 3.3Å; L566-M570 WeakPolarHBondContact O-CG 3.2Å; L566-M570 PolarHBondContact O-N 2.95Å; L567-M570 PolarHBondContact O-N 3.39Å; M570-R572 VanDerWaalsContact C-N 3.34Å; M570-R572 PolarHBondContact O-N 2.84Å; M570-I573 CarbonylContact O-C 3.52Å; M570-I573 PolarHBondContact O-N 2.81Å; M570-E574 PolarHBondContact O-N 3.17Å; M570-L575 HydrophobicContact CB-CB 4.33Å; M570-L575 HydrophobicContact CB-CD1 4.35Å; M570-L575 HydrophobicContact CE-CB 4.08Å; M570-L575 HydrophobicContact CE-CD1 4.09Å; M570-L575 HydrophobicContact CG-CD1 4.08Å; M570-L575 PolarHBondContact O-N 3.41Å; M570-L577 HydrophobicContact CB-CD2 4.14Å; M570-L577 HydrophobicContact CE-CD2 4.2Å; M570-L577 HydrophobicContact SD-CD2 4.43Å
571	Q	95.2	Very high	93.3	Very high	105 Å²	105	68.3 Å²	68.3	49%	0.491	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-41.7	174.7	-73	173.8	-9.5	0	0	111.9	L567 E568 L569 I573 E574 L577	L567-Q571 WeakPolarHBondContact O-CB 3.41Å; L567-Q571 VanDerWaalsContact O-CG 3.28Å; L567-Q571 WeakPolarHBondContact O-CG 3.25Å; L567-Q571 PolarHBondContact O-N 2.9Å; E568-Q571 PolarHBondContact O-N 3.07Å; L569-Q571 VanDerWaalsContact C-N 3.34Å; L569-Q571 PolarHBondContact O-N 3.42Å; Q571-I573 VanDerWaalsContact C-N 3.31Å; Q571-I573 PolarHBondContact O-N 2.97Å; Q571-E574 PolarHBondContact O-N 3.3Å; Q571-E574 VanDerWaalsContact O-N 3.1Å; Q571-L577 HydrophobicContact CG-CD1 3.76Å
572	R	93.1	Very high	93.4	Very high	149 Å²	149	67.2 Å²	67.2	56%	0.562	33%	0.334	S	S	*	.	H	α-helix	trans	-66.5	-31.7	178.3	-176.4	-178.5	72	173.2	5.8	113	E568 L569 M570 E574	E568-R572 VanDerWaalsContact O-CB 3.26Å; E568-R572 WeakPolarHBondContact O-CB 3.32Å; E568-R572 PolarHBondContact O-N 2.71Å; L569-R572 WeakPolarHBondContact O-CB 3.33Å; L569-R572 PolarHBondContact O-N 2.89Å; M570-R572 VanDerWaalsContact C-N 3.34Å; M570-R572 PolarHBondContact O-N 2.84Å; R572-E574 VanDerWaalsContact C-N 3.27Å
573	I	91.9	Very high	93.2	Very high	41 Å²	41	70 Å²	70	21%	0.21	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.4	175.7	-59.4	169	0	0	0	110.9	I464 E467 F468 L569 M570 Q571 L575	I464-I573 HydrophobicContact CG2-CG2 4.49Å; E467-I573 HydrophobicContact CB-CD1 4.07Å; F468-I573 HydrophobicContact CE2-CD1 4.4Å; L569-I573 HydrophobicContact CD1-CD1 3.64Å; L569-I573 HydrophobicContact CD1-CG1 4.25Å; L569-I573 HydrophobicContact CG-CD1 3.9Å; L569-I573 WeakPolarHBondContact O-CG1 3.29Å; L569-I573 PolarHBondContact O-N 3.49Å; M570-I573 CarbonylContact O-C 3.52Å; M570-I573 PolarHBondContact O-N 2.81Å; Q571-I573 VanDerWaalsContact C-N 3.31Å; Q571-I573 PolarHBondContact O-N 2.97Å; I573-L575 VanDerWaalsContact C-N 3.33Å; I573-L575 HydrophobicContact CB-CG 4.35Å; I573-L575 HydrophobicContact CG2-CD1 4.41Å; I573-L575 HydrophobicContact CG2-CD2 4.48Å; I573-L575 HydrophobicContact CG2-CG 4.1Å; I573-L575 PolarHBondContact O-N 3.03Å
574	E	94.3	Very high	93	Very high	177 Å²	177	70.8 Å²	70.8	83%	0.827	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	33.6	179.6	-53.5	-177.2	169.1	0	0	113.8	M570 Q571 R572	M570-E574 PolarHBondContact O-N 3.17Å; Q571-E574 PolarHBondContact O-N 3.3Å; Q571-E574 VanDerWaalsContact O-N 3.1Å; R572-E574 VanDerWaalsContact C-N 3.27Å
575	L	94.1	Very high	92.8	Very high	32 Å²	32	69.5 Å²	69.5	17%	0.168	37%	0.374	C	S	.	.			trans	-74.7	144.8	174.1	-65.3	172.7	0	0	0	111.2	F468 L479 M570 I573	F468-L575 HydrophobicContact CE2-CD1 4.42Å; F468-L575 HydrophobicContact CZ-CD1 3.95Å; L479-L575 HydrophobicContact CD2-CD1 3.42Å; L479-L575 VanDerWaalsContact CD2-CD1 3.42Å; L479-L575 HydrophobicContact CD2-CD2 4.29Å; M570-L575 HydrophobicContact CB-CB 4.33Å; M570-L575 HydrophobicContact CB-CD1 4.35Å; M570-L575 HydrophobicContact CE-CB 4.08Å; M570-L575 HydrophobicContact CE-CD1 4.09Å; M570-L575 HydrophobicContact CG-CD1 4.08Å; M570-L575 PolarHBondContact O-N 3.41Å; I573-L575 VanDerWaalsContact C-N 3.33Å; I573-L575 HydrophobicContact CB-CG 4.35Å; I573-L575 HydrophobicContact CG2-CD1 4.41Å; I573-L575 HydrophobicContact CG2-CD2 4.48Å; I573-L575 HydrophobicContact CG2-CG 4.1Å; I573-L575 PolarHBondContact O-N 3.03Å
576	P	94	Very high	92.8	Very high	79 Å²	79	71.7 Å²	71.7	51%	0.513	38%	0.384	S	S	.	.			trans	-67.2	142.4	178.9	31.2	-36.2	0	0	0	110.5	C482	C482-P576 HydrophobicContact CB-CG 3.7Å
577	L	93.6	Very high	92.7	Very high	80 Å²	80	71.8 Å²	71.8	42%	0.419	38%	0.384	S	S	.	.			trans	-117.4	135.2	-180	-57.5	177.7	0	0	0	109.2	V487 L567 M570 Q571	V487-L577 HydrophobicContact CG1-CD2 3.98Å; L567-L577 HydrophobicContact CD1-CD1 3.82Å; L567-L577 HydrophobicContact CD1-CD2 3.98Å; M570-L577 HydrophobicContact CB-CD2 4.14Å; M570-L577 HydrophobicContact CE-CD2 4.2Å; M570-L577 HydrophobicContact SD-CD2 4.43Å; Q571-L577 HydrophobicContact CG-CD1 3.76Å
578	S	92.6	Very high	92.5	Very high	20 Å²	20	71.5 Å²	71.5	14%	0.14	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-96.2	160.4	174.3	72.6	0	0	0	0	112	D485 V487	D485-S578 VanDerWaalsContact C-CB 3.45Å; D485-S578 VanDerWaalsContact C-OG 3.26Å; D485-S578 WeakPolarHBondContact O-CB 3.29Å; D485-S578 PolarHBondContact O-OG 2.66Å; V487-S578 PolarHBondContact N-OG 3.35Å
579	L	90.3	Very high	92.5	Very high	149 Å²	149	71.5 Å²	71.5	78%	0.78	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-82.1	152	172.7	-66.2	175.1	0	0	0	110.2	A581	L579-A581 PolarHBondContact O-N 3.36Å
580	P	90.3	Very high	92.6	Very high	88 Å²	88	71.9 Å²	71.9	57%	0.571	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-59.2	128.6	176	-18.7	28.6	0	0	0	111.8	D488	D488-P580 HydrophobicContact CB-CB 4.49Å; D488-P580 HydrophobicContact CB-CG 4.3Å
581	A	91.5	Very high	92.6	Very high	45 Å²	45	72.1 Å²	72.1	37%	0.372	38%	0.379	S	S	.	.			trans	-138.5	14.7	-178.4	0	0	0	0	0	113.2	E489 L579 S584 N587	E489-A581 PolarHBondContact OE1-N 2.95Å; L579-A581 PolarHBondContact O-N 3.36Å; A581-S584 PolarHBondContact O-N 3.18Å; A581-S584 PolarHBondContact O-OG 3.41Å; A581-S584 VanDerWaalsContact O-OG 3.12Å; A581-N587 HydrophobicContact CB-CB 4.22Å; A581-N587 VanDerWaalsContact O-CB 3.3Å; A581-N587 WeakPolarHBondContact O-CB 3.19Å
582	F	92.6	Very high	92.6	Very high	47 Å²	47	67.6 Å²	67.6	21%	0.206	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	136.1	-177.4	-171.3	-118.9	0	0	0	113.2	E489 I530 Q531 E534 N587	E489-F582 HydrophobicContact CG-CB 3.9Å; E489-F582 HydrophobicContact CG-CD2 3.95Å; E489-F582 HydrophobicContact CG-CG 4.33Å; E489-F582 PolarHBondContact OE1-N 3.37Å; I530-F582 HydrophobicContact CB-CD2 4.48Å; I530-F582 HydrophobicContact CB-CE2 4Å; I530-F582 HydrophobicContact CB-CZ 4.02Å; I530-F582 HydrophobicContact CD1-CD2 4.31Å; I530-F582 HydrophobicContact CD1-CE2 3.98Å; I530-F582 HydrophobicContact CG2-CD1 4.01Å; I530-F582 HydrophobicContact CG2-CD2 3.82Å; I530-F582 HydrophobicContact CG2-CE1 4Å; I530-F582 HydrophobicContact CG2-CE2 3.81Å; I530-F582 HydrophobicContact CG2-CG 3.93Å; I530-F582 HydrophobicContact CG2-CZ 3.91Å; Q531-F582 HydrophobicContact CB-CE1 4.39Å; E534-F582 WeakPolarHBondContact OE1-CD1 3.49Å; E534-F582 WeakPolarHBondContact OE2-CD1 3.38Å; F582-N587 WeakPolarHBondContact CA-OD1 3.12Å
583	G	87.4	Confident	92.8	Very high	60 Å²	60	62.7 Å²	62.7	62%	0.619	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	-6.6	178.5	0	0	0	0	0	115.7
584	S	91.8	Very high	93	Very high	51 Å²	51	60.7 Å²	60.7	36%	0.357	33%	0.33	S	S	.	.	S	Bend	trans	-79.8	147.7	170.4	70.7	0	0	0	0	112	A581 Q586 N587 R588	A581-S584 PolarHBondContact O-N 3.18Å; A581-S584 PolarHBondContact O-OG 3.41Å; A581-S584 VanDerWaalsContact O-OG 3.12Å; S584-Q586 PolarHBondContact O-N 3.5Å; S584-N587 PolarHBondContact O-N 3.27Å; S584-N587 WeakPolarHBondContact OG-CB 3.22Å; S584-N587 PolarHBondContact OG-N 2.82Å; S584-N587 VanDerWaalsContact OG-N 3.17Å; S584-R588 PolarHBondContact O-N 3.25Å
585	E	90.3	Very high	93.1	Very high	103 Å²	103	52.5 Å²	52.5	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-32	178.2	180	65.9	-174.3	0	0	112.3	R588 R589	E585-R588 IonicContact OE1-CZ 3.61Å; E585-R588 IonicContact OE1-NE 3.73Å; E585-R588 IonicContact OE1-NH2 3.65Å; E585-R588 PolarHBondContact OE1-NH2 2.97Å; E585-R588 IonicContact OE2-CZ 3.82Å; E585-R588 IonicContact OE2-NE 3.94Å; E585-R588 PolarHBondContact OE2-NE 3.45Å; E585-R588 IonicContact OE2-NH2 3.67Å; E585-R589 WeakPolarHBondContact O-CG 3.15Å; E585-R589 PolarHBondContact O-N 2.91Å; E585-R589 IonicContact OE1-NE 2.66Å; E585-R589 IonicContact OE1-NH2 3.84Å
586	Q	92.4	Very high	93.2	Very high	111 Å²	111	51 Å²	51	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-68.3	-53.1	175.2	-176	54.8	45.1	0	0	110.5	S584 R588 R589 D590	S584-Q586 PolarHBondContact O-N 3.5Å; Q586-R588 VanDerWaalsContact C-N 3.25Å; Q586-R588 PolarHBondContact O-N 3.23Å; Q586-R589 WeakPolarHBondContact O-CB 3.45Å; Q586-R589 PolarHBondContact O-N 2.87Å; Q586-D590 WeakPolarHBondContact CG-OD2 3.49Å; Q586-D590 VanDerWaalsContact NE2-CG 3.28Å; Q586-D590 PolarHBondContact NE2-OD1 3.33Å; Q586-D590 PolarHBondContact NE2-OD2 3.46Å; Q586-D590 VanDerWaalsContact O-CG 3.27Å; Q586-D590 PolarHBondContact O-N 3.35Å; Q586-D590 VanDerWaalsContact O-OD2 3.09Å
587	N	93.1	Very high	93.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-36.8	176.9	179.4	-99.8	0	0	0	112.5	E489 A581 F582 S584 R589 D590 L591	E489-N587 PolarHBondContact OE2-ND2 2.92Å; A581-N587 HydrophobicContact CB-CB 4.22Å; A581-N587 VanDerWaalsContact O-CB 3.3Å; A581-N587 WeakPolarHBondContact O-CB 3.19Å; F582-N587 WeakPolarHBondContact CA-OD1 3.12Å; S584-N587 PolarHBondContact O-N 3.27Å; S584-N587 WeakPolarHBondContact OG-CB 3.22Å; S584-N587 PolarHBondContact OG-N 2.82Å; S584-N587 VanDerWaalsContact OG-N 3.17Å; N587-R589 VanDerWaalsContact C-N 3.34Å; N587-R589 PolarHBondContact O-N 2.84Å; N587-D590 PolarHBondContact O-N 2.91Å; N587-L591 VanDerWaalsContact O-CB 3.27Å; N587-L591 WeakPolarHBondContact O-CB 3.44Å; N587-L591 PolarHBondContact O-N 3.39Å
588	R	92.7	Very high	93.3	Very high	40 Å²	40	44.1 Å²	44.1	15%	0.151	25%	0.245	C	C	.	.	H	α-helix	trans	-55.4	-48.4	173.5	-176.4	-173.1	71.6	72.1	-3.7	111.6	D523 S584 E585 Q586 Q592 E663	D523-R588 HydrophobicContact CB-CG 4.41Å; D523-R588 VanDerWaalsContact CG-CD 3.45Å; D523-R588 WeakPolarHBondContact OD2-CD 3.32Å; D523-R588 VanDerWaalsContact OD2-CG 3.28Å; D523-R588 WeakPolarHBondContact OD2-CG 3.31Å; S584-R588 PolarHBondContact O-N 3.25Å; E585-R588 IonicContact OE1-CZ 3.61Å; E585-R588 IonicContact OE1-NE 3.73Å; E585-R588 IonicContact OE1-NH2 3.65Å; E585-R588 PolarHBondContact OE1-NH2 2.97Å; E585-R588 IonicContact OE2-CZ 3.82Å; E585-R588 IonicContact OE2-NE 3.94Å; E585-R588 PolarHBondContact OE2-NE 3.45Å; E585-R588 IonicContact OE2-NH2 3.67Å; Q586-R588 VanDerWaalsContact C-N 3.25Å; Q586-R588 PolarHBondContact O-N 3.23Å; R588-Q592 VanDerWaalsContact O-CG 3.31Å; R588-Q592 WeakPolarHBondContact O-CG 3.36Å; R588-Q592 PolarHBondContact O-N 3.01Å; R588-Q592 VanDerWaalsContact O-N 3.08Å; R588-E663 IonicContact NH2-OE1 3.2Å
589	R	93.5	Very high	93.4	Very high	105 Å²	105	43.3 Å²	43.3	40%	0.396	24%	0.238	S	C	.	.	H	α-helix	trans	-68.2	-41.9	178.7	-69.3	177.8	-178.1	-174.8	-1.5	111.4	E585 Q586 N587 Q592 K593	E585-R589 WeakPolarHBondContact O-CG 3.15Å; E585-R589 PolarHBondContact O-N 2.91Å; E585-R589 IonicContact OE1-NE 2.66Å; E585-R589 IonicContact OE1-NH2 3.84Å; Q586-R589 WeakPolarHBondContact O-CB 3.45Å; Q586-R589 PolarHBondContact O-N 2.87Å; N587-R589 VanDerWaalsContact C-N 3.34Å; N587-R589 PolarHBondContact O-N 2.84Å; R589-Q592 WeakPolarHBondContact O-CB 3.03Å; R589-Q592 PolarHBondContact O-N 2.83Å; R589-K593 WeakPolarHBondContact O-CG 3.44Å; R589-K593 PolarHBondContact O-N 2.89Å
590	D	95.3	Very high	93.5	Very high	24 Å²	24	36.8 Å²	36.8	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-42	179.6	-66.7	-25.8	0	0	0	111.8	F484 C486 Q586 N587 K593 A594	F484-D590 HydrophobicContact CB-CB 3.89Å; F484-D590 WeakPolarHBondContact O-CB 3.42Å; F484-D590 VanDerWaalsContact O-CG 3.26Å; C486-D590 HydrophobicContact CB-CB 4.1Å; C486-D590 PolarHBondContact SG-O 3.24Å; Q586-D590 WeakPolarHBondContact CG-OD2 3.49Å; Q586-D590 VanDerWaalsContact NE2-CG 3.28Å; Q586-D590 PolarHBondContact NE2-OD1 3.33Å; Q586-D590 PolarHBondContact NE2-OD2 3.46Å; Q586-D590 VanDerWaalsContact O-CG 3.27Å; Q586-D590 PolarHBondContact O-N 3.35Å; Q586-D590 VanDerWaalsContact O-OD2 3.09Å; N587-D590 PolarHBondContact O-N 2.91Å; D590-K593 PolarHBondContact O-N 2.88Å; D590-A594 WeakPolarHBondContact O-CB 3.3Å; D590-A594 PolarHBondContact O-N 3.33Å
591	L	95.5	Very high	93.5	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-41.7	173.3	-176	65	0	0	0	111.7	E489 M490 L493 I530 N587 A594 L595	E489-L591 HydrophobicContact CB-CD1 4.24Å; M490-L591 HydrophobicContact CB-CD1 4.42Å; M490-L591 HydrophobicContact SD-CD1 4.14Å; L493-L591 HydrophobicContact CD2-CD1 4.35Å; I530-L591 HydrophobicContact CD1-CD2 3.66Å; N587-L591 VanDerWaalsContact O-CB 3.27Å; N587-L591 WeakPolarHBondContact O-CB 3.44Å; N587-L591 PolarHBondContact O-N 3.39Å; L591-A594 PolarHBondContact O-N 3.42Å; L591-L595 HydrophobicContact CG-CD1 4.25Å; L591-L595 WeakPolarHBondContact O-CB 3.48Å; L591-L595 WeakPolarHBondContact O-CG 3.2Å; L591-L595 PolarHBondContact O-N 3.4Å
592	Q	95.1	Very high	93.5	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.051	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-42.9	173.7	-75.9	173.7	-26	0	0	111.6	R588 R589 L595 V596 E661 M666	R588-Q592 VanDerWaalsContact O-CG 3.31Å; R588-Q592 WeakPolarHBondContact O-CG 3.36Å; R588-Q592 PolarHBondContact O-N 3.01Å; R588-Q592 VanDerWaalsContact O-N 3.08Å; R589-Q592 WeakPolarHBondContact O-CB 3.03Å; R589-Q592 PolarHBondContact O-N 2.83Å; Q592-L595 PolarHBondContact O-N 3.35Å; Q592-V596 WeakPolarHBondContact O-CB 3.39Å; Q592-V596 VanDerWaalsContact O-CG2 3.25Å; Q592-V596 WeakPolarHBondContact O-CG2 3.43Å; Q592-V596 PolarHBondContact O-N 3.43Å; Q592-E661 PolarHBondContact NE2-O 2.88Å; Q592-M666 HydrophobicContact CB-CE 4.07Å; Q592-M666 HydrophobicContact CB-SD 3.86Å
593	K	96.1	Very high	93.6	Very high	45 Å²	45	31.4 Å²	31.4	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-45.1	176.1	-71.9	-170.5	177.8	-152	0	112.1	F484 R589 D590 L595 V596 S597 M666 E669 L670	F484-K593 HydrophobicContact CD1-CB 4.03Å; F484-K593 HydrophobicContact CD1-CD 3.93Å; F484-K593 HydrophobicContact CD2-CB 3.9Å; F484-K593 HydrophobicContact CE1-CB 3.95Å; F484-K593 HydrophobicContact CE1-CD 3.78Å; F484-K593 HydrophobicContact CE2-CB 3.81Å; F484-K593 HydrophobicContact CG-CB 4.02Å; F484-K593 HydrophobicContact CZ-CB 3.85Å; F484-K593 HydrophobicContact CZ-CD 4.39Å; R589-K593 WeakPolarHBondContact O-CG 3.44Å; R589-K593 PolarHBondContact O-N 2.89Å; D590-K593 PolarHBondContact O-N 2.88Å; K593-L595 PolarHBondContact O-N 2.8Å; K593-V596 PolarHBondContact O-N 2.93Å; K593-S597 WeakPolarHBondContact O-CB 3.19Å; K593-S597 PolarHBondContact O-N 3.13Å; K593-S597 PolarHBondContact O-OG 3.23Å; K593-M666 HydrophobicContact CG-CE 4.38Å; K593-M666 HydrophobicContact CG-SD 4.24Å; K593-E669 IonicContact NZ-OE1 2.81Å; K593-E669 PolarHBondContact NZ-OE1 3.42Å; K593-E669 IonicContact NZ-OE2 3.48Å; K593-E669 PolarHBondContact NZ-OE2 2.96Å; K593-L670 HydrophobicContact CB-CD1 3.93Å; K593-L670 HydrophobicContact CG-CD1 4.12Å; K593-L670 WeakPolarHBondContact O-CD1 3.5Å
594	A	96.8	Very high	93.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-46	175.9	0	0	0	0	0	111.7	A477 F484 D590 L591 S597 G598	A477-A594 WeakPolarHBondContact CA-O 3.45Å; A477-A594 WeakPolarHBondContact CB-O 3.45Å; F484-A594 HydrophobicContact CD2-CB 4Å; D590-A594 WeakPolarHBondContact O-CB 3.3Å; D590-A594 PolarHBondContact O-N 3.33Å; L591-A594 PolarHBondContact O-N 3.42Å; A594-S597 WeakPolarHBondContact O-CB 3.27Å; A594-S597 PolarHBondContact O-N 3.3Å; A594-G598 PolarHBondContact O-N 3.24Å
595	L	96.3	Very high	93.8	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-61.8	-47.8	176.7	-77.8	170.6	0	0	0	112.2	M490 L493 H526 L591 Q592 K593 S597 G598 Y599 L644	M490-L595 HydrophobicContact CE-CD2 4.11Å; M490-L595 HydrophobicContact SD-CD2 3.97Å; M490-L595 HydrophobicContact SD-CG 4.3Å; L493-L595 HydrophobicContact CD2-CD1 4.14Å; L493-L595 HydrophobicContact CD2-CD2 3.77Å; L493-L595 HydrophobicContact CD2-CG 4.3Å; H526-L595 HydrophobicContact CB-CD1 4.11Å; L591-L595 HydrophobicContact CG-CD1 4.25Å; L591-L595 WeakPolarHBondContact O-CB 3.48Å; L591-L595 WeakPolarHBondContact O-CG 3.2Å; L591-L595 PolarHBondContact O-N 3.4Å; Q592-L595 PolarHBondContact O-N 3.35Å; K593-L595 PolarHBondContact O-N 2.8Å; L595-S597 PolarHBondContact O-N 3Å; L595-G598 PolarHBondContact O-N 3.4Å; L595-Y599 HydrophobicContact CD2-CD2 4.41Å; L595-Y599 WeakPolarHBondContact O-CB 3.45Å; L595-Y599 PolarHBondContact O-N 2.56Å; L595-L644 HydrophobicContact CB-CD1 4.15Å
596	V	96	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-38.4	177.5	168.5	0	0	0	0	110.7	Q592 K593 G598 Y599 F600 L644 I662 L667 L670	Q592-V596 WeakPolarHBondContact O-CB 3.39Å; Q592-V596 VanDerWaalsContact O-CG2 3.25Å; Q592-V596 WeakPolarHBondContact O-CG2 3.43Å; Q592-V596 PolarHBondContact O-N 3.43Å; K593-V596 PolarHBondContact O-N 2.93Å; V596-G598 PolarHBondContact O-N 3.12Å; V596-Y599 PolarHBondContact O-N 2.74Å; V596-F600 HydrophobicContact CG1-CB 4.44Å; V596-F600 WeakPolarHBondContact O-CA 3.47Å; V596-F600 WeakPolarHBondContact O-CB 3.39Å; V596-F600 WeakPolarHBondContact O-CD1 3.49Å; V596-F600 PolarHBondContact O-N 2.85Å; V596-L644 HydrophobicContact CB-CD1 4.48Å; V596-L644 HydrophobicContact CG2-CD1 3.88Å; V596-I662 HydrophobicContact CG2-CB 4.41Å; V596-I662 HydrophobicContact CG2-CD1 4.47Å; V596-I662 HydrophobicContact CG2-CG2 3.96Å; V596-L667 HydrophobicContact CG1-CD2 3.83Å; V596-L667 HydrophobicContact CG2-CD2 4.44Å; V596-L670 HydrophobicContact CB-CD1 3.99Å; V596-L670 HydrophobicContact CG1-CB 4.24Å; V596-L670 HydrophobicContact CG1-CD1 3.82Å
597	S	95.7	Very high	93.5	Very high	15 Å²	15	21.4 Å²	21.4	11%	0.105	10%	0.099	C	C	.	.	H	α-helix	trans	-62.1	-28.5	-179.5	-57.9	0	0	0	0	113.8	K476 A480 K593 A594 L595 F600	K476-S597 WeakPolarHBondContact CG-O 3.49Å; A480-S597 VanDerWaalsContact CB-CB 3.49Å; K593-S597 WeakPolarHBondContact O-CB 3.19Å; K593-S597 PolarHBondContact O-N 3.13Å; K593-S597 PolarHBondContact O-OG 3.23Å; A594-S597 WeakPolarHBondContact O-CB 3.27Å; A594-S597 PolarHBondContact O-N 3.3Å; L595-S597 PolarHBondContact O-N 3Å; S597-F600 WeakPolarHBondContact O-CD1 3.28Å
598	G	94.9	Very high	93.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-99.3	-32.9	174.9	0	0	0	0	0	114.7	E473 A594 L595 V596	E473-G598 WeakPolarHBondContact CB-O 3.48Å; E473-G598 WeakPolarHBondContact O-CA 3.22Å; A594-G598 PolarHBondContact O-N 3.24Å; L595-G598 PolarHBondContact O-N 3.4Å; V596-G598 PolarHBondContact O-N 3.12Å
599	Y	94.3	Very high	92.6	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-112.9	18.7	-170.2	-72.7	-93.3	0	0	0	113.9	E473 L474 A477 L595 V596 L601 K602 L644 H646	E473-Y599 HydrophobicContact CB-CD1 4.43Å; E473-Y599 HydrophobicContact CB-CE1 4.23Å; E473-Y599 HydrophobicContact CB-CE2 4.48Å; L474-Y599 HydrophobicContact CB-CE2 4.41Å; L474-Y599 WeakPolarHBondContact CB-OH 3.39Å; L474-Y599 HydrophobicContact CD1-CE2 4.02Å; L474-Y599 WeakPolarHBondContact CD1-OH 3.41Å; A477-Y599 HydrophobicContact CB-CD2 4.26Å; A477-Y599 HydrophobicContact CB-CE2 4.21Å; L595-Y599 HydrophobicContact CD2-CD2 4.41Å; L595-Y599 WeakPolarHBondContact O-CB 3.45Å; L595-Y599 PolarHBondContact O-N 2.56Å; V596-Y599 PolarHBondContact O-N 2.74Å; Y599-L601 PolarHBondContact O-N 3.21Å; Y599-L601 VanDerWaalsContact O-N 3.09Å; Y599-K602 HydrophobicContact CD1-CD 4Å; Y599-K602 HydrophobicContact CD1-CG 4.44Å; Y599-K602 HydrophobicContact CE1-CD 4.47Å; Y599-K602 CarbonylContact O-C 3.46Å; Y599-K602 WeakPolarHBondContact O-CA 3.3Å; Y599-K602 PolarHBondContact O-N 3.09Å; Y599-L644 HydrophobicContact CG-CD2 4.35Å; Y599-H646 AromaticContact CE1-CE1 4Å; Y599-H646 AromaticContact CE1-ND1 3.35Å; Y599-H646 WeakPolarHBondContact CE1-ND1 3.35Å; Y599-H646 AromaticContact CZ-CE1 3.86Å; Y599-H646 AromaticContact CZ-ND1 3.43Å; Y599-H646 PolarHBondContact OH-CE1 3.49Å; Y599-H646 PolarHBondContact OH-ND1 2.68Å
600	F	92.8	Very high	92.1	Very high	12 Å²	12	24.9 Å²	24.9	5%	0.053	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25	177.8	59.6	-86.6	0	0	0	113.5	Y448 L449 V596 S597 K602 V603 A671 Y674 F675	Y448-F600 WeakPolarHBondContact O-CZ 3.42Å; L449-F600 HydrophobicContact CD2-CE1 4.02Å; L449-F600 HydrophobicContact CD2-CZ 4.43Å; V596-F600 HydrophobicContact CG1-CB 4.44Å; V596-F600 WeakPolarHBondContact O-CA 3.47Å; V596-F600 WeakPolarHBondContact O-CB 3.39Å; V596-F600 WeakPolarHBondContact O-CD1 3.49Å; V596-F600 PolarHBondContact O-N 2.85Å; S597-F600 WeakPolarHBondContact O-CD1 3.28Å; F600-K602 PolarHBondContact O-N 2.88Å; F600-V603 WeakPolarHBondContact O-CG2 3.3Å; F600-A671 HydrophobicContact CB-CB 3.96Å; F600-A671 HydrophobicContact CD1-CB 4.32Å; F600-A671 HydrophobicContact CD2-CB 3.8Å; F600-A671 HydrophobicContact CE2-CB 4.39Å; F600-A671 HydrophobicContact CG-CB 3.77Å; F600-Y674 AromaticContact CD2-CD1 3.86Å; F600-Y674 HydrophobicContact CD2-CD1 3.86Å; F600-Y674 HydrophobicContact CD2-CE1 4.41Å; F600-Y674 HydrophobicContact CD2-CG 4.03Å; F600-Y674 HydrophobicContact CE2-CD1 4.31Å; F600-Y674 HydrophobicContact CE2-CD2 4.41Å; F600-Y674 HydrophobicContact CE2-CG 4.04Å; F600-F675 HydrophobicContact CB-CE2 3.84Å; F600-F675 HydrophobicContact CB-CZ 4.18Å; F600-F675 WeakPolarHBondContact O-CZ 3.33Å
601	L	89.9	Confident	91.7	Very high	18 Å²	18	24.5 Å²	24.5	9%	0.094	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.5	172.9	-57.2	179.5	0	0	0	112.7	D445 Y448 Y599 Y674	D445-L601 HydrophobicContact CB-CD1 4.47Å; Y448-L601 HydrophobicContact CD2-CD2 4.06Å; Y448-L601 HydrophobicContact CG-CD2 4.44Å; Y599-L601 PolarHBondContact O-N 3.21Å; Y599-L601 VanDerWaalsContact O-N 3.09Å; L601-Y674 HydrophobicContact CD2-CD1 4.17Å; L601-Y674 HydrophobicContact CD2-CD2 3.8Å; L601-Y674 HydrophobicContact CD2-CE1 3.66Å; L601-Y674 HydrophobicContact CD2-CE2 3.28Å; L601-Y674 HydrophobicContact CD2-CG 4.21Å; L601-Y674 VanDerWaalsContact CD2-OH 3.31Å; L601-Y674 WeakPolarHBondContact CD2-OH 3.43Å
602	K	91.9	Very high	91.4	Very high	46 Å²	46	27.2 Å²	27.2	20%	0.2	16%	0.157	C	C	.	.	S	Bend	trans	-109.8	62.4	-174.2	-57.1	-161.6	-164.2	-178.6	0	112.2	Y599 F600 L644 Y645 H646	Y599-K602 HydrophobicContact CD1-CD 4Å; Y599-K602 HydrophobicContact CD1-CG 4.44Å; Y599-K602 HydrophobicContact CE1-CD 4.47Å; Y599-K602 CarbonylContact O-C 3.46Å; Y599-K602 WeakPolarHBondContact O-CA 3.3Å; Y599-K602 PolarHBondContact O-N 3.09Å; F600-K602 PolarHBondContact O-N 2.88Å; K602-L644 WeakPolarHBondContact O-CA 3.47Å; K602-Y645 HydrophobicContact CB-CD1 4.29Å; K602-Y645 HydrophobicContact CB-CD2 4Å; K602-Y645 HydrophobicContact CB-CE1 4Å; K602-Y645 HydrophobicContact CB-CE2 3.67Å; K602-Y645 HydrophobicContact CB-CG 4.28Å; K602-Y645 WeakPolarHBondContact CB-O 2.97Å; K602-Y645 HydrophobicContact CD-CD2 4.29Å; K602-Y645 HydrophobicContact CD-CE2 3.96Å; K602-Y645 HydrophobicContact CG-CE2 4.03Å; K602-Y645 WeakPolarHBondContact O-CD1 3.34Å; K602-Y645 WeakPolarHBondContact O-CE1 3.09Å; K602-Y645 PolarHBondContact O-N 3.05Å; K602-H646 WeakPolarHBondContact CD-O 3.26Å; K602-H646 PolarHBondContact NZ-O 3.41Å
603	V	92.9	Very high	91.2	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.5	179.2	179	0	0	0	0	111.3	F600 L616 W642 V643 I662 L667 F675	F600-V603 WeakPolarHBondContact O-CG2 3.3Å; V603-L616 HydrophobicContact CB-CD1 3.98Å; V603-L616 HydrophobicContact CG1-CD1 3.55Å; V603-L616 HydrophobicContact CG1-CG 4.4Å; V603-L616 PolarHBondContact O-N 2.55Å; V603-W642 HydrophobicContact CG1-CE3 4.21Å; V603-V643 WeakPolarHBondContact CA-O 3.44Å; V603-I662 HydrophobicContact CB-CD1 4.5Å; V603-I662 HydrophobicContact CG1-CD1 3.74Å; V603-I662 HydrophobicContact CG2-CD1 3.91Å; V603-L667 HydrophobicContact CG1-CD1 4.08Å; V603-L667 HydrophobicContact CG2-CD2 4.04Å; V603-F675 HydrophobicContact CG2-CZ 4.26Å
604	A	92.8	Very high	90.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.9	175.1	0	0	0	0	0	111.8	Y613 L614 L615 V643 Y645 L656	A604-Y613 HydrophobicContact CB-CD1 4.3Å; A604-L614 WeakPolarHBondContact CA-O 3.46Å; A604-L615 HydrophobicContact CB-CD1 4.37Å; A604-L615 HydrophobicContact CB-CG 4.4Å; A604-V643 HydrophobicContact CB-CG2 4.06Å; A604-V643 PolarHBondContact N-O 3.05Å; A604-V643 WeakPolarHBondContact O-CG2 3.2Å; A604-V643 PolarHBondContact O-N 3.26Å; A604-Y645 HydrophobicContact CB-CD1 4.34Å; A604-Y645 HydrophobicContact CB-CE1 4.29Å; A604-L656 HydrophobicContact CB-CD1 3.78Å
605	R	92.6	Very high	90.5	Very high	36 Å²	36	27 Å²	27	14%	0.136	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.5	-178.8	-174.6	-165.5	178.2	178.4	-3.6	111.9	T607 L614 L616 P641 W642 E683 S684	R605-T607 HydrophobicContact CG-CG2 4.48Å; R605-L614 PolarHBondContact N-O 2.82Å; R605-L614 PolarHBondContact O-N 2.81Å; R605-L616 HydrophobicContact CB-CD2 4.06Å; R605-P641 CarbonylContact C-O 3.57Å; R605-P641 VanDerWaalsContact CA-O 3.22Å; R605-P641 WeakPolarHBondContact CA-O 3.02Å; R605-P641 WeakPolarHBondContact CG-O 3Å; R605-W642 HydrophobicContact CB-CD2 4.31Å; R605-W642 HydrophobicContact CB-CE3 4.34Å; R605-W642 HydrophobicContact CG-CD2 4.01Å; R605-W642 HydrophobicContact CG-CE3 4.49Å; R605-W642 HydrophobicContact CG-CG 4.42Å; R605-W642 HydrophobicContact CG-CZ2 4.01Å; R605-E683 PolarHBondContact NH1-O 3.13Å; R605-S684 WeakPolarHBondContact CD-OG 3.45Å; R605-S684 PolarHBondContact NH1-OG 3.25Å; R605-S684 VanDerWaalsContact NH1-OG 3.09Å
606	D	91.3	Very high	89.7	Confident	9 Å²	9	27.1 Å²	27.1	5%	0.048	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.3	164.4	-176	-6.6	0	0	0	109.1	D608 G609 T610 G611 Y613 P641	D606-D608 PolarHBondContact OD1-N 3.02Å; D606-D608 VanDerWaalsContact OD1-OD1 3.09Å; D606-G609 WeakPolarHBondContact OD1-CA 3.47Å; D606-G609 PolarHBondContact OD1-N 3.36Å; D606-G609 VanDerWaalsContact OD2-C 3.27Å; D606-G609 VanDerWaalsContact OD2-CA 3.22Å; D606-G609 WeakPolarHBondContact OD2-CA 3.32Å; D606-T610 PolarHBondContact OD1-N 2.9Å; D606-T610 PolarHBondContact OD2-N 3.31Å; D606-G611 VanDerWaalsContact OD2-CA 3.29Å; D606-G611 WeakPolarHBondContact OD2-CA 3.44Å; D606-G611 PolarHBondContact OD2-N 3.04Å; D606-Y613 HydrophobicContact CB-CD1 3.94Å; D606-Y613 HydrophobicContact CB-CD2 4.49Å; D606-Y613 HydrophobicContact CB-CE1 3.77Å; D606-Y613 HydrophobicContact CB-CE2 4.33Å; D606-Y613 HydrophobicContact CB-CG 4.32Å; D606-P641 PolarHBondContact N-O 3.02Å
607	T	84.9	Confident	88.5	Confident	69 Å²	69	28.6 Å²	28.6	42%	0.423	17%	0.168	S	C	.	.	S	Bend	trans	-87	-32.1	-176	47.5	0	0	0	0	113.4	R605	R605-T607 HydrophobicContact CG-CG2 4.48Å
608	D	83.9	Confident	87.5	Confident	104 Å²	104	30.2 Å²	30.2	56%	0.556	17%	0.173	S	C	*	.	S	Bend	trans	-113.6	-4.2	-171.3	63.1	1.6	0	0	0	113.3	D606 T610	D606-D608 PolarHBondContact OD1-N 3.02Å; D606-D608 VanDerWaalsContact OD1-OD1 3.09Å; D608-T610 VanDerWaalsContact C-N 3.27Å; D608-T610 HydrophobicContact CB-CG2 4.24Å; D608-T610 VanDerWaalsContact CG-OG1 3.26Å; D608-T610 VanDerWaalsContact OD1-CB 3.26Å; D608-T610 WeakPolarHBondContact OD1-CB 3.42Å; D608-T610 VanDerWaalsContact OD1-CG2 3.29Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.46Å; D608-T610 PolarHBondContact OD1-N 2.98Å; D608-T610 PolarHBondContact OD1-OG1 2.89Å; D608-T610 VanDerWaalsContact OD2-CG2 3.26Å; D608-T610 WeakPolarHBondContact OD2-CG2 3.45Å; D608-T610 PolarHBondContact OD2-OG1 2.73Å
609	G	82.5	Confident	86.5	Confident	39 Å²	39	35.8 Å²	35.8	40%	0.402	20%	0.198	S	C	.	.	S	Bend	trans	74.9	17.7	-179	0	0	0	0	0	112.8	D606 G611	D606-G609 WeakPolarHBondContact OD1-CA 3.47Å; D606-G609 PolarHBondContact OD1-N 3.36Å; D606-G609 VanDerWaalsContact OD2-C 3.27Å; D606-G609 VanDerWaalsContact OD2-CA 3.22Å; D606-G609 WeakPolarHBondContact OD2-CA 3.32Å; G609-G611 VanDerWaalsContact C-N 3.3Å
610	T	83.5	Confident	86	Confident	80 Å²	80	38.7 Å²	38.7	49%	0.491	21%	0.211	S	C	.	.	S	Bend	trans	-83.9	-6.3	179.9	63.2	0	0	0	0	113.1	D606 D608 N612	D606-T610 PolarHBondContact OD1-N 2.9Å; D606-T610 PolarHBondContact OD2-N 3.31Å; D608-T610 VanDerWaalsContact C-N 3.27Å; D608-T610 HydrophobicContact CB-CG2 4.24Å; D608-T610 VanDerWaalsContact CG-OG1 3.26Å; D608-T610 VanDerWaalsContact OD1-CB 3.26Å; D608-T610 WeakPolarHBondContact OD1-CB 3.42Å; D608-T610 VanDerWaalsContact OD1-CG2 3.29Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.46Å; D608-T610 PolarHBondContact OD1-N 2.98Å; D608-T610 PolarHBondContact OD1-OG1 2.89Å; D608-T610 VanDerWaalsContact OD2-CG2 3.26Å; D608-T610 WeakPolarHBondContact OD2-CG2 3.45Å; D608-T610 PolarHBondContact OD2-OG1 2.73Å; T610-N612 PolarHBondContact OG1-ND2 3.15Å
611	G	85	Confident	85.8	Confident	15 Å²	15	41.7 Å²	41.7	16%	0.155	23%	0.23	C	C	.	.	S	Bend	trans	83.1	12.8	-174.1	0	0	0	0	0	113.6	D606 G609	D606-G611 VanDerWaalsContact OD2-CA 3.29Å; D606-G611 WeakPolarHBondContact OD2-CA 3.44Å; D606-G611 PolarHBondContact OD2-N 3.04Å; G609-G611 VanDerWaalsContact C-N 3.3Å
612	N	89.4	Confident	85.9	Confident	62 Å²	62	40.9 Å²	40.9	33%	0.332	23%	0.227	S	C	.	.			trans	-98.3	106.3	173.7	-66	-49.8	0	0	0	109.1	T610 V621 Q623	T610-N612 PolarHBondContact OG1-ND2 3.15Å; N612-V621 HydrophobicContact CB-CG1 3.83Å; N612-Q623 PolarHBondContact OD1-NE2 3.21Å; N612-Q623 VanDerWaalsContact OD1-NE2 3.17Å
613	Y	91.1	Very high	85.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.7	-176.5	-74.7	-92.9	0	0	0	110.8	A604 D606 V621 A622 L624 P639 P640 V643 L656	A604-Y613 HydrophobicContact CB-CD1 4.3Å; D606-Y613 HydrophobicContact CB-CD1 3.94Å; D606-Y613 HydrophobicContact CB-CD2 4.49Å; D606-Y613 HydrophobicContact CB-CE1 3.77Å; D606-Y613 HydrophobicContact CB-CE2 4.33Å; D606-Y613 HydrophobicContact CB-CG 4.32Å; Y613-V621 WeakPolarHBondContact O-CA 3.11Å; Y613-A622 PolarHBondContact N-O 3.32Å; Y613-A622 PolarHBondContact O-N 2.84Å; Y613-L624 HydrophobicContact CD2-CD2 4.07Å; Y613-L624 HydrophobicContact CD2-CG 4.13Å; Y613-L624 HydrophobicContact CE2-CD1 3.92Å; Y613-L624 HydrophobicContact CE2-CD2 3.73Å; Y613-L624 HydrophobicContact CE2-CG 3.57Å; Y613-P639 HydrophobicContact CE2-CB 4.43Å; Y613-P639 WeakPolarHBondContact OH-CB 3.39Å; Y613-P640 VanDerWaalsContact CE1-O 3.29Å; Y613-P640 WeakPolarHBondContact CE1-O 3.42Å; Y613-P640 PolarHBondContact OH-O 2.62Å; Y613-V643 HydrophobicContact CD1-CG2 3.46Å; Y613-V643 VanDerWaalsContact CD1-CG2 3.46Å; Y613-V643 HydrophobicContact CE1-CB 4.21Å; Y613-V643 HydrophobicContact CE1-CG1 3.69Å; Y613-V643 HydrophobicContact CE1-CG2 3.47Å; Y613-V643 VanDerWaalsContact CE1-CG2 3.47Å; Y613-V643 HydrophobicContact CG-CG2 4.31Å; Y613-L656 HydrophobicContact CG-CD1 4.2Å
614	L	90.5	Very high	85.6	Confident	49 Å²	49	42.3 Å²	42.3	26%	0.257	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.6	172.8	-172.5	71.4	0	0	0	110	A604 R605 L616 K619 H620 V621	A604-L614 WeakPolarHBondContact CA-O 3.46Å; R605-L614 PolarHBondContact N-O 2.82Å; R605-L614 PolarHBondContact O-N 2.81Å; L614-L616 PolarHBondContact O-N 2.97Å; L614-K619 HydrophobicContact CD1-CB 4.22Å; L614-H620 WeakPolarHBondContact CA-O 3.24Å; L614-V621 HydrophobicContact CD1-CG2 4.03Å
615	L	88.5	Confident	85.2	Confident	2 Å²	2	43 Å²	43	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	123.8	169.9	-77.1	73.3	0	0	0	108.8	A604 T617 K619 H620 A622 Y645 F648 L656	A604-L615 HydrophobicContact CB-CD1 4.37Å; A604-L615 HydrophobicContact CB-CG 4.4Å; L615-T617 VanDerWaalsContact C-N 3.28Å; L615-T617 PolarHBondContact O-N 2.8Å; L615-K619 WeakPolarHBondContact O-CA 3.46Å; L615-K619 PolarHBondContact O-N 2.94Å; L615-H620 HydrophobicContact CD1-CB 4.43Å; L615-H620 WeakPolarHBondContact CD1-O 3.46Å; L615-H620 PolarHBondContact N-O 2.82Å; L615-A622 HydrophobicContact CD1-CB 3.87Å; L615-Y645 HydrophobicContact CD2-CE1 4.39Å; L615-Y645 VanDerWaalsContact CD2-OH 3.29Å; L615-Y645 WeakPolarHBondContact CD2-OH 3.45Å; L615-Y645 HydrophobicContact CG-CE1 4.24Å; L615-F648 HydrophobicContact CD2-CD1 3.64Å; L615-F648 HydrophobicContact CD2-CE1 3.76Å; L615-F648 HydrophobicContact CD2-CG 4.15Å; L615-F648 HydrophobicContact CD2-CZ 4.35Å; L615-L656 HydrophobicContact CD1-CD2 4.26Å
616	L	80.3	Confident	84.6	Confident	7 Å²	7	45 Å²	45	4%	0.037	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.2	-164.4	-65.1	176.5	0	0	0	114	V603 R605 L614 W642 F675 L679 S684	V603-L616 HydrophobicContact CB-CD1 3.98Å; V603-L616 HydrophobicContact CG1-CD1 3.55Å; V603-L616 HydrophobicContact CG1-CG 4.4Å; V603-L616 PolarHBondContact O-N 2.55Å; R605-L616 HydrophobicContact CB-CD2 4.06Å; L614-L616 PolarHBondContact O-N 2.97Å; L616-W642 HydrophobicContact CD1-CE3 4.42Å; L616-W642 HydrophobicContact CD1-CH2 4.48Å; L616-W642 HydrophobicContact CD1-CZ3 3.67Å; L616-W642 HydrophobicContact CD2-CH2 4.42Å; L616-W642 HydrophobicContact CD2-CZ3 4.22Å; L616-F675 HydrophobicContact CD1-CD1 4.48Å; L616-F675 HydrophobicContact CD1-CE1 3.87Å; L616-L679 HydrophobicContact CB-CD2 3.92Å; L616-S684 WeakPolarHBondContact CD2-OG 3.35Å
617	T	70.7	Confident	84	Confident	31 Å²	31	51.6 Å²	51.6	19%	0.19	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-40.8	-170.6	50.3	0	0	0	0	112.6	L615 Y674 L679	L615-T617 VanDerWaalsContact C-N 3.28Å; L615-T617 PolarHBondContact O-N 2.8Å; T617-Y674 HydrophobicContact CG2-CE1 3.7Å; T617-Y674 WeakPolarHBondContact CG2-OH 3.03Å; T617-L679 HydrophobicContact CG2-CD2 4.1Å
618	H	74.3	Confident	84	Confident	48 Å²	48	48.3 Å²	48.3	22%	0.222	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	0.4	-171.9	-51.6	-63.2	0	0	0	113.9	R353 I354 H620	R353-H618 PolarHBondContact O-CE1 3.48Å; R353-H618 VanDerWaalsContact O-CE1 3.31Å; R353-H618 PolarHBondContact O-ND1 3.42Å; R353-H618 VanDerWaalsContact O-ND1 3.14Å; I354-H618 HydrophobicContact CB-CB 4.26Å; I354-H618 HydrophobicContact CG2-CB 4.33Å; I354-H618 PolarHBondContact O-CD2 2.83Å; H618-H620 PolarHBondContact O-CD2 3.46Å; H618-H620 PolarHBondContact O-N 2.83Å; H618-H620 VanDerWaalsContact O-N 3.08Å
619	K	74.1	Confident	84	Confident	118 Å²	118	43.5 Å²	43.5	51%	0.513	24%	0.238	S	C	.	.			trans	55.6	24.3	179.3	-57.8	-175.5	176	-173.8	0	114.3	L614 L615	L614-K619 HydrophobicContact CD1-CB 4.22Å; L615-K619 WeakPolarHBondContact O-CA 3.46Å; L615-K619 PolarHBondContact O-N 2.94Å
620	H	83.9	Confident	84	Confident	64 Å²	64	42 Å²	42	30%	0.296	22%	0.22	S	C	.	.			trans	-76.7	146	170	-81.7	-87.7	0	0	0	110.1	I354 L614 L615 H618 F648	I354-H620 WeakPolarHBondContact CG2-NE2 3.38Å; L614-H620 WeakPolarHBondContact CA-O 3.24Å; L615-H620 HydrophobicContact CD1-CB 4.43Å; L615-H620 WeakPolarHBondContact CD1-O 3.46Å; L615-H620 PolarHBondContact N-O 2.82Å; H618-H620 PolarHBondContact O-CD2 3.46Å; H618-H620 PolarHBondContact O-N 2.83Å; H618-H620 VanDerWaalsContact O-N 3.08Å; H620-F648 HydrophobicContact CB-CZ 4.43Å
621	V	88.9	Confident	83.9	Confident	74 Å²	74	43.9 Å²	43.9	45%	0.448	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.5	175.3	-178.9	0	0	0	0	108.8	N612 Y613 L614	N612-V621 HydrophobicContact CB-CG1 3.83Å; Y613-V621 WeakPolarHBondContact O-CA 3.11Å; L614-V621 HydrophobicContact CD1-CG2 4.03Å
622	A	90.3	Very high	83.2	Confident	2 Å²	2	45.3 Å²	45.3	2%	0.017	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160	178.5	0	0	0	0	0	110.3	Y613 L615 F648 N654 L656	Y613-A622 PolarHBondContact N-O 3.32Å; Y613-A622 PolarHBondContact O-N 2.84Å; L615-A622 HydrophobicContact CD1-CB 3.87Å; A622-F648 HydrophobicContact CB-CD2 4.08Å; A622-F648 HydrophobicContact CB-CE2 3.64Å; A622-N654 CarbonylContact C-O 3.55Å; A622-N654 WeakPolarHBondContact CA-O 3.33Å; A622-N654 WeakPolarHBondContact CB-O 3.46Å; A622-L656 HydrophobicContact CB-CD1 4.39Å; A622-L656 HydrophobicContact CB-CD2 3.78Å; A622-L656 HydrophobicContact CB-CG 3.75Å
623	Q	90.2	Very high	82.4	Confident	77 Å²	77	46.2 Å²	46.2	36%	0.36	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	161.3	172.1	-64.7	-170	-10.6	0	0	110.4	N612 N654 C655 L656	N612-Q623 PolarHBondContact OD1-NE2 3.21Å; N612-Q623 VanDerWaalsContact OD1-NE2 3.17Å; Q623-N654 PolarHBondContact N-O 3.34Å; Q623-C655 CarbonylContact O-C 3.58Å; Q623-C655 VanDerWaalsContact O-CA 3.23Å; Q623-C655 WeakPolarHBondContact O-CA 3.46Å; Q623-L656 PolarHBondContact O-N 3.22Å
624	L	88.9	Confident	81	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	139	170.6	-57.8	-178.5	0	0	0	110.1	Y613 C628 Y630 R631 P639 L656 V659	Y613-L624 HydrophobicContact CD2-CD2 4.07Å; Y613-L624 HydrophobicContact CD2-CG 4.13Å; Y613-L624 HydrophobicContact CE2-CD1 3.92Å; Y613-L624 HydrophobicContact CE2-CD2 3.73Å; Y613-L624 HydrophobicContact CE2-CG 3.57Å; L624-C628 HydrophobicContact CB-CB 4.15Å; L624-Y630 HydrophobicContact CD1-CD2 4.48Å; L624-R631 HydrophobicContact CB-CG 4.26Å; L624-R631 PolarHBondContact O-NE 2.93Å; L624-R631 PolarHBondContact O-NH1 2.71Å; L624-P639 HydrophobicContact CD1-CB 3.86Å; L624-P639 HydrophobicContact CD1-CG 4.24Å; L624-L656 HydrophobicContact CD2-CB 4.39Å; L624-L656 HydrophobicContact CD2-CD1 4.47Å; L624-V659 HydrophobicContact CD2-CB 4.3Å; L624-V659 HydrophobicContact CD2-CG1 3.92Å; L624-V659 HydrophobicContact CD2-CG2 3.99Å
625	S	85.4	Confident	79.3	Confident	14 Å²	14	59.4 Å²	59.4	10%	0.098	29%	0.291	C	S	.	.			trans	-52.1	147.1	173.3	178.4	0	0	0	0	111.6	Y627 C628 R631 L656	S625-Y627 PolarHBondContact O-N 3.39Å; S625-Y627 VanDerWaalsContact O-N 3.11Å; S625-Y627 PolarHBondContact OG-N 3.41Å; S625-C628 VanDerWaalsContact O-CB 3.22Å; S625-C628 WeakPolarHBondContact O-CB 3.13Å; S625-C628 PolarHBondContact O-N 2.85Å; S625-R631 WeakPolarHBondContact O-CD 3.32Å; S625-L656 VanDerWaalsContact CB-O 3.3Å; S625-L656 WeakPolarHBondContact CB-O 3.31Å; S625-L656 PolarHBondContact N-O 3.21Å
626	S	79.8	Confident	77.5	Confident	79 Å²	79	65.3 Å²	65.3	55%	0.552	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.5	176	50.7	0	0	0	0	113
627	Y	77.4	Confident	76.6	Confident	146 Å²	146	67.3 Å²	67.3	57%	0.573	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	0.3	179.6	-55.9	-71.9	0	0	0	114.2	S625	S625-Y627 PolarHBondContact O-N 3.39Å; S625-Y627 VanDerWaalsContact O-N 3.11Å; S625-Y627 PolarHBondContact OG-N 3.41Å
628	C	84.6	Confident	76.6	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.007	38%	0.375	C	S	.	.			trans	-69.7	133.4	179.8	-179.6	0	0	0	0	111.1	D525 L624 S625 Y630 R631 S632	D525-C628 PolarHBondContact OD2-SG 2.62Å; L624-C628 HydrophobicContact CB-CB 4.15Å; S625-C628 VanDerWaalsContact O-CB 3.22Å; S625-C628 WeakPolarHBondContact O-CB 3.13Å; S625-C628 PolarHBondContact O-N 2.85Å; C628-Y630 PolarHBondContact O-N 3.01Å; C628-Y630 VanDerWaalsContact O-N 3.11Å; C628-R631 PolarHBondContact O-N 2.88Å; C628-S632 PolarHBondContact O-N 2.81Å
629	C	83.8	Confident	77	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.014	38%	0.377	C	S	.	.	H	α-helix	trans	-57.9	-29.9	-178	66.3	0	0	0	0	113	E520 G524 D525 R631 S632 R633	E520-C629 HydrophobicContact CB-CB 4.01Å; E520-C629 HydrophobicContact CG-CB 3.99Å; G524-C629 VanDerWaalsContact CA-SG 3.57Å; D525-C629 WeakPolarHBondContact OD1-CB 3.06Å; D525-C629 PolarHBondContact OD1-N 3.25Å; D525-C629 PolarHBondContact OD1-SG 2.64Å; C629-R631 VanDerWaalsContact C-N 3.25Å; C629-R631 PolarHBondContact O-N 2.86Å; C629-S632 PolarHBondContact O-N 3.46Å; C629-R633 WeakPolarHBondContact O-CG 3.3Å; C629-R633 PolarHBondContact O-N 3.4Å
630	Y	84.3	Confident	77.7	Confident	7 Å²	7	70 Å²	70	3%	0.027	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-28.2	177.2	-65.7	-64.5	0	0	0	113	D523 G524 L624 C628 R633 P640 V659 E661	D523-Y630 VanDerWaalsContact C-OH 3.22Å; D523-Y630 PolarHBondContact O-OH 3.39Å; G524-Y630 VanDerWaalsContact CA-OH 3.26Å; G524-Y630 WeakPolarHBondContact CA-OH 3.27Å; G524-Y630 PolarHBondContact N-OH 3.46Å; L624-Y630 HydrophobicContact CD1-CD2 4.48Å; C628-Y630 PolarHBondContact O-N 3.01Å; C628-Y630 VanDerWaalsContact O-N 3.11Å; Y630-R633 VanDerWaalsContact CD1-NH2 3.3Å; Y630-P640 HydrophobicContact CD1-CG 4.11Å; Y630-P640 HydrophobicContact CD2-CG 4.24Å; Y630-P640 HydrophobicContact CE1-CG 3.82Å; Y630-P640 HydrophobicContact CE2-CG 3.98Å; Y630-P640 HydrophobicContact CG-CG 4.33Å; Y630-V659 HydrophobicContact CE2-CG1 4.41Å; Y630-V659 WeakPolarHBondContact CE2-O 3.39Å; Y630-E661 WeakPolarHBondContact OH-CB 3.3Å; Y630-E661 PolarHBondContact OH-N 2.79Å
631	R	79.6	Confident	78.1	Confident	120 Å²	120	70.1 Å²	70.1	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-81.4	-28.4	175.3	-76.4	-172	147	-173.7	-2.4	112.6	L624 S625 C628 C629 R633	L624-R631 HydrophobicContact CB-CG 4.26Å; L624-R631 PolarHBondContact O-NE 2.93Å; L624-R631 PolarHBondContact O-NH1 2.71Å; S625-R631 WeakPolarHBondContact O-CD 3.32Å; C628-R631 PolarHBondContact O-N 2.88Å; C629-R631 VanDerWaalsContact C-N 3.25Å; C629-R631 PolarHBondContact O-N 2.86Å; R631-R633 PolarHBondContact O-N 2.96Å
632	S	71.4	Confident	78.3	Confident	45 Å²	45	67.2 Å²	67.2	32%	0.315	34%	0.342	S	S	.	.	H	α-helix	trans	-70.9	-14.7	175.7	-65	0	0	0	0	113.7	E520 C628 C629	E520-S632 WeakPolarHBondContact OE1-CB 3.5Å; E520-S632 PolarHBondContact OE1-OG 3.25Å; E520-S632 WeakPolarHBondContact OE2-CB 3.33Å; C628-S632 PolarHBondContact O-N 2.81Å; C629-S632 PolarHBondContact O-N 3.46Å
633	R	72.4	Confident	78.5	Confident	82 Å²	82	67.1 Å²	67.1	31%	0.309	34%	0.341	S	S	.	.	S	Bend	trans	-66.3	140	-177.4	-68.4	178.8	-167.6	-164.8	1.6	111.9	H521 T522 C629 Y630 R631 A635 A637	H521-R633 PolarHBondContact O-NH2 3.38Å; T522-R633 VanDerWaalsContact CA-NH2 3.35Å; T522-R633 VanDerWaalsContact O-CZ 3.23Å; T522-R633 PolarHBondContact O-NH1 2.83Å; T522-R633 PolarHBondContact O-NH2 3.47Å; C629-R633 WeakPolarHBondContact O-CG 3.3Å; C629-R633 PolarHBondContact O-N 3.4Å; Y630-R633 VanDerWaalsContact CD1-NH2 3.3Å; R631-R633 PolarHBondContact O-N 2.96Å; R633-A635 PolarHBondContact O-N 3.39Å; R633-A637 HydrophobicContact CB-CB 3.68Å
634	R	60.8	Low	78.7	Confident	231 Å²	231	63.5 Å²	63.5	87%	0.872	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-61.8	132	173.3	-69.4	-175	-178.3	-176.5	1.7	109.4	A637	R634-A637 PolarHBondContact O-N 3.47Å
635	A	55.8	Low	78.9	Confident	95 Å²	95	63.9 Å²	63.9	79%	0.785	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	138.7	170.1	0	0	0	0	0	109.9	R633	R633-A635 PolarHBondContact O-N 3.39Å
636	P	50.6	Low	79.1	Confident	126 Å²	126	64.3 Å²	64.3	82%	0.818	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	cis	-102.3	23.4	22.6	39.4	-35.2	0	0	0	115	R638	P636-R638 PolarHBondContact O-N 3.49Å
637	A	62.2	Low	79.3	Confident	49 Å²	49	63.8 Å²	63.8	41%	0.405	32%	0.317	S	S	.	.			trans	-56.6	112.4	-176.4	0	0	0	0	0	111.5	R633 R634	R633-A637 HydrophobicContact CB-CB 3.68Å; R634-A637 PolarHBondContact O-N 3.47Å
638	R	70.8	Confident	79.7	Confident	205 Å²	205	57.5 Å²	57.5	77%	0.774	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-80.5	138.5	168.7	-69.4	-174.4	-179.4	-172.4	-2.3	108.3	P636	P636-R638 PolarHBondContact O-N 3.49Å
639	P	81.9	Confident	79.2	Confident	40 Å²	40	58.9 Å²	58.9	26%	0.26	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-54.5	150.5	169.2	-26.2	36.3	0	0	0	111.8	Y613 L624	Y613-P639 HydrophobicContact CE2-CB 4.43Å; Y613-P639 WeakPolarHBondContact OH-CB 3.39Å; L624-P639 HydrophobicContact CD1-CB 3.86Å; L624-P639 HydrophobicContact CD1-CG 4.24Å
640	P	89.3	Confident	78.8	Confident	7 Å²	7	60.1 Å²	60.1	5%	0.045	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-63.9	141.2	179.8	25.6	-35.1	0	0	0	111.6	Y613 Y630 W642 V643 E661	Y613-P640 VanDerWaalsContact CE1-O 3.29Å; Y613-P640 WeakPolarHBondContact CE1-O 3.42Å; Y613-P640 PolarHBondContact OH-O 2.62Å; Y630-P640 HydrophobicContact CD1-CG 4.11Å; Y630-P640 HydrophobicContact CD2-CG 4.24Å; Y630-P640 HydrophobicContact CE1-CG 3.82Å; Y630-P640 HydrophobicContact CE2-CG 3.98Å; Y630-P640 HydrophobicContact CG-CG 4.33Å; P640-W642 VanDerWaalsContact C-N 3.32Å; P640-W642 PolarHBondContact O-N 2.8Å; P640-V643 HydrophobicContact CB-CG1 4.32Å; P640-V643 HydrophobicContact CG-CG1 3.61Å; P640-E661 HydrophobicContact CB-CB 3.72Å; P640-E661 VanDerWaalsContact CB-CD 3.5Å; P640-E661 HydrophobicContact CB-CG 3.58Å; P640-E661 HydrophobicContact CG-CB 3.93Å; P640-E661 HydrophobicContact CG-CG 4.35Å
641	P	91.1	Very high	78.2	Confident	67 Å²	67	62.5 Å²	62.5	44%	0.435	33%	0.325	S	S	.	.	S	Bend	trans	-69.8	-28.9	-175	26.8	-33.9	0	0	0	113.2	R605 D606	R605-P641 CarbonylContact C-O 3.57Å; R605-P641 VanDerWaalsContact CA-O 3.22Å; R605-P641 WeakPolarHBondContact CA-O 3.02Å; R605-P641 WeakPolarHBondContact CG-O 3Å; D606-P641 PolarHBondContact N-O 3.02Å
642	W	93.4	Very high	77.2	Confident	13 Å²	13	66.6 Å²	66.6	5%	0.049	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.4	179.2	-71.7	84.4	0	0	0	109.4	V603 R605 L616 P640 I662 P664 L667 L687 L688	V603-W642 HydrophobicContact CG1-CE3 4.21Å; R605-W642 HydrophobicContact CB-CD2 4.31Å; R605-W642 HydrophobicContact CB-CE3 4.34Å; R605-W642 HydrophobicContact CG-CD2 4.01Å; R605-W642 HydrophobicContact CG-CE3 4.49Å; R605-W642 HydrophobicContact CG-CG 4.42Å; R605-W642 HydrophobicContact CG-CZ2 4.01Å; L616-W642 HydrophobicContact CD1-CE3 4.42Å; L616-W642 HydrophobicContact CD1-CH2 4.48Å; L616-W642 HydrophobicContact CD1-CZ3 3.67Å; L616-W642 HydrophobicContact CD2-CH2 4.42Å; L616-W642 HydrophobicContact CD2-CZ3 4.22Å; P640-W642 VanDerWaalsContact C-N 3.32Å; P640-W642 PolarHBondContact O-N 2.8Å; W642-I662 HydrophobicContact CB-CG1 4.05Å; W642-I662 WeakPolarHBondContact CB-O 3.46Å; W642-I662 PolarHBondContact O-N 2.83Å; W642-P664 HydrophobicContact CD2-CB 4.02Å; W642-P664 HydrophobicContact CE3-CB 4.3Å; W642-P664 HydrophobicContact CG-CB 4.43Å; W642-P664 HydrophobicContact CH2-CB 4.46Å; W642-P664 HydrophobicContact CZ2-CB 4.22Å; W642-P664 HydrophobicContact CZ3-CB 4.48Å; W642-L667 HydrophobicContact CE3-CD1 3.93Å; W642-L667 HydrophobicContact CZ3-CD1 3.71Å; W642-L687 HydrophobicContact CZ2-CD2 3.61Å; W642-L688 HydrophobicContact CH2-CD1 4.26Å; W642-L688 HydrophobicContact CH2-CD2 4.28Å; W642-L688 HydrophobicContact CH2-CG 4.22Å
643	V	94.3	Very high	76.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144	-176.5	-64.4	0	0	0	0	112.4	V603 A604 Y613 P640 L656 V659 S660	V603-V643 WeakPolarHBondContact CA-O 3.44Å; A604-V643 HydrophobicContact CB-CG2 4.06Å; A604-V643 PolarHBondContact N-O 3.05Å; A604-V643 WeakPolarHBondContact O-CG2 3.2Å; A604-V643 PolarHBondContact O-N 3.26Å; Y613-V643 HydrophobicContact CD1-CG2 3.46Å; Y613-V643 VanDerWaalsContact CD1-CG2 3.46Å; Y613-V643 HydrophobicContact CE1-CB 4.21Å; Y613-V643 HydrophobicContact CE1-CG1 3.69Å; Y613-V643 HydrophobicContact CE1-CG2 3.47Å; Y613-V643 VanDerWaalsContact CE1-CG2 3.47Å; Y613-V643 HydrophobicContact CG-CG2 4.31Å; P640-V643 HydrophobicContact CB-CG1 4.32Å; P640-V643 HydrophobicContact CG-CG1 3.61Å; V643-L656 HydrophobicContact CG2-CD1 4.24Å; V643-V659 HydrophobicContact CB-CG1 3.45Å; V643-V659 VanDerWaalsContact CB-CG1 3.45Å; V643-V659 HydrophobicContact CG1-CG1 3.67Å; V643-V659 HydrophobicContact CG2-CG1 3.93Å; V643-S660 WeakPolarHBondContact CA-O 3.34Å
644	L	94.6	Very high	77.5	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.9	164.7	-175.6	151.6	0	0	0	108.4	L595 V596 Y599 K602 V659 S660 I662	L595-L644 HydrophobicContact CB-CD1 4.15Å; V596-L644 HydrophobicContact CB-CD1 4.48Å; V596-L644 HydrophobicContact CG2-CD1 3.88Å; Y599-L644 HydrophobicContact CG-CD2 4.35Å; K602-L644 WeakPolarHBondContact O-CA 3.47Å; L644-V659 WeakPolarHBondContact O-CA 3.27Å; L644-S660 PolarHBondContact N-O 3.02Å; L644-S660 PolarHBondContact O-N 3.36Å; L644-I662 HydrophobicContact CB-CD1 4.31Å; L644-I662 HydrophobicContact CB-CG2 3.63Å; L644-I662 HydrophobicContact CD1-CG2 4.27Å
645	Y	92.8	Very high	78.7	Confident	12 Å²	12	59.2 Å²	59.2	5%	0.047	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.6	180	64.7	-91.8	0	0	0	111.5	K602 A604 L615 F648 L656 I658	K602-Y645 HydrophobicContact CB-CD1 4.29Å; K602-Y645 HydrophobicContact CB-CD2 4Å; K602-Y645 HydrophobicContact CB-CE1 4Å; K602-Y645 HydrophobicContact CB-CE2 3.67Å; K602-Y645 HydrophobicContact CB-CG 4.28Å; K602-Y645 WeakPolarHBondContact CB-O 2.97Å; K602-Y645 HydrophobicContact CD-CD2 4.29Å; K602-Y645 HydrophobicContact CD-CE2 3.96Å; K602-Y645 HydrophobicContact CG-CE2 4.03Å; K602-Y645 WeakPolarHBondContact O-CD1 3.34Å; K602-Y645 WeakPolarHBondContact O-CE1 3.09Å; K602-Y645 PolarHBondContact O-N 3.05Å; A604-Y645 HydrophobicContact CB-CD1 4.34Å; A604-Y645 HydrophobicContact CB-CE1 4.29Å; L615-Y645 HydrophobicContact CD2-CE1 4.39Å; L615-Y645 VanDerWaalsContact CD2-OH 3.29Å; L615-Y645 WeakPolarHBondContact CD2-OH 3.45Å; L615-Y645 HydrophobicContact CG-CE1 4.24Å; Y645-F648 HydrophobicContact CD2-CB 3.95Å; Y645-F648 HydrophobicContact CE2-CB 3.45Å; Y645-F648 VanDerWaalsContact CE2-CB 3.45Å; Y645-L656 HydrophobicContact CD1-CD1 4.24Å; Y645-L656 HydrophobicContact CD1-CD2 3.84Å; Y645-L656 HydrophobicContact CD2-CD2 4.06Å; Y645-L656 HydrophobicContact CE1-CD2 4.11Å; Y645-L656 HydrophobicContact CE2-CD2 4.33Å; Y645-L656 HydrophobicContact CG-CD2 3.82Å; Y645-I658 WeakPolarHBondContact CA-O 3.32Å
646	H	89.6	Confident	80.3	Confident	23 Å²	23	54.7 Å²	54.7	11%	0.106	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-47.6	174.7	-172.7	68.6	0	0	0	111.4	L497 Y599 K602 S657 I658	L497-H646 HydrophobicContact CD2-CB 4.38Å; Y599-H646 AromaticContact CE1-CE1 4Å; Y599-H646 AromaticContact CE1-ND1 3.35Å; Y599-H646 WeakPolarHBondContact CE1-ND1 3.35Å; Y599-H646 AromaticContact CZ-CE1 3.86Å; Y599-H646 AromaticContact CZ-ND1 3.43Å; Y599-H646 PolarHBondContact OH-CE1 3.49Å; Y599-H646 PolarHBondContact OH-ND1 2.68Å; K602-H646 WeakPolarHBondContact CD-O 3.26Å; K602-H646 PolarHBondContact NZ-O 3.41Å; H646-S657 PolarHBondContact N-O 2.92Å; H646-I658 HydrophobicContact CB-CB 3.85Å; H646-I658 HydrophobicContact CB-CD1 4.41Å; H646-I658 HydrophobicContact CB-CG2 4.25Å; H646-I658 PolarHBondContact N-O 3.46Å
647	N	85.1	Confident	82.1	Confident	68 Å²	68	50 Å²	50	36%	0.364	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.6	-174.9	-71.1	-21	0	0	0	111.6	S657	N647-S657 PolarHBondContact N-O 3Å; N647-S657 VanDerWaalsContact N-O 3.14Å; N647-S657 PolarHBondContact O-N 2.67Å
648	F	85.8	Confident	83.5	Confident	13 Å²	13	49 Å²	49	6%	0.057	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.5	167.9	169.8	-129	0	0	0	108.3	A356 L615 H620 A622 Y645 I650 N654 L656	A356-F648 HydrophobicContact CB-CD1 3.45Å; A356-F648 VanDerWaalsContact CB-CD1 3.45Å; A356-F648 HydrophobicContact CB-CE1 3.79Å; L615-F648 HydrophobicContact CD2-CD1 3.64Å; L615-F648 HydrophobicContact CD2-CE1 3.76Å; L615-F648 HydrophobicContact CD2-CG 4.15Å; L615-F648 HydrophobicContact CD2-CZ 4.35Å; H620-F648 HydrophobicContact CB-CZ 4.43Å; A622-F648 HydrophobicContact CB-CD2 4.08Å; A622-F648 HydrophobicContact CB-CE2 3.64Å; Y645-F648 HydrophobicContact CD2-CB 3.95Å; Y645-F648 HydrophobicContact CE2-CB 3.45Å; Y645-F648 VanDerWaalsContact CE2-CB 3.45Å; F648-I650 HydrophobicContact CE1-CD1 3.7Å; F648-I650 HydrophobicContact CE1-CG1 3.7Å; F648-I650 HydrophobicContact CE2-CG1 4.04Å; F648-I650 HydrophobicContact CZ-CD1 3.8Å; F648-I650 HydrophobicContact CZ-CG1 3.39Å; F648-N654 HydrophobicContact CE2-CB 4.35Å; F648-L656 HydrophobicContact CB-CD2 4.04Å; F648-L656 HydrophobicContact CD2-CD2 3.76Å; F648-L656 HydrophobicContact CG-CD2 4.13Å
649	T	73.8	Confident	84.5	Confident	31 Å²	31	39.2 Å²	39.2	19%	0.19	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.2	-178.7	-50.4	0	0	0	0	109.3	Q359 S651 C655	Q359-T649 HydrophobicContact CG-CG2 3.62Å; T649-S651 PolarHBondContact O-N 2.73Å; T649-C655 PolarHBondContact N-O 3.34Å; T649-C655 PolarHBondContact O-N 2.86Å
650	I	76.1	Confident	85.1	Confident	27 Å²	27	37.6 Å²	37.6	14%	0.138	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	99.6	171.7	-66.4	165.8	0	0	0	107.5	I354 A356 E357 F358 Q359 F648 N654	I354-I650 HydrophobicContact CD1-CD1 3.24Å; A356-I650 HydrophobicContact CB-CD1 4.41Å; E357-I650 PolarHBondContact O-N 2.7Å; F358-I650 HydrophobicContact CD1-CB 3.63Å; F358-I650 HydrophobicContact CD1-CD1 4.07Å; F358-I650 HydrophobicContact CD1-CG1 4.47Å; F358-I650 HydrophobicContact CD1-CG2 3.53Å; F358-I650 HydrophobicContact CD2-CD1 4.47Å; F358-I650 HydrophobicContact CE1-CB 3.79Å; F358-I650 HydrophobicContact CE1-CD1 3.41Å; F358-I650 VanDerWaalsContact CE1-CD1 3.41Å; F358-I650 HydrophobicContact CE1-CG1 4.2Å; F358-I650 HydrophobicContact CE1-CG2 3.54Å; F358-I650 HydrophobicContact CE2-CD1 3.79Å; F358-I650 HydrophobicContact CG-CB 4.2Å; F358-I650 HydrophobicContact CZ-CB 4.42Å; F358-I650 HydrophobicContact CZ-CD1 3.27Å; F358-I650 HydrophobicContact CZ-CG1 4.43Å; Q359-I650 PolarHBondContact N-O 3.38Å; F648-I650 HydrophobicContact CE1-CD1 3.7Å; F648-I650 HydrophobicContact CE1-CG1 3.7Å; F648-I650 HydrophobicContact CE2-CG1 4.04Å; F648-I650 HydrophobicContact CZ-CD1 3.8Å; F648-I650 HydrophobicContact CZ-CG1 3.39Å; I650-N654 WeakPolarHBondContact CG2-OD1 3.28Å
651	S	70.7	Confident	85.3	Confident	57 Å²	57	41 Å²	41	40%	0.399	22%	0.217	S	C	.	.	S	Bend	trans	-130.3	-153.3	177.2	75.6	0	0	0	0	109.6	T649 D653	T649-S651 PolarHBondContact O-N 2.73Å; S651-D653 PolarHBondContact O-N 2.93Å
652	K	59.1	Low	85.4	Confident	206 Å²	206	38.1 Å²	38.1	90%	0.896	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.2	178	-71.1	-179.5	-179.9	172	0	113.4
653	D	65.6	Low	85.4	Confident	128 Å²	128	40.8 Å²	40.8	68%	0.684	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.4	16.2	-172.6	-66.4	-44.8	0	0	0	115.5	S651 C655	S651-D653 PolarHBondContact O-N 2.93Å; D653-C655 PolarHBondContact O-N 3.44Å
654	N	84.1	Confident	85.3	Confident	52 Å²	52	41.7 Å²	41.7	28%	0.278	22%	0.217	S	C	.	.			trans	28.4	78.6	-179.6	-73	-4.9	0	0	0	113.7	A622 Q623 F648 I650	A622-N654 CarbonylContact C-O 3.55Å; A622-N654 WeakPolarHBondContact CA-O 3.33Å; A622-N654 WeakPolarHBondContact CB-O 3.46Å; Q623-N654 PolarHBondContact N-O 3.34Å; F648-N654 HydrophobicContact CE2-CB 4.35Å; I650-N654 WeakPolarHBondContact CG2-OD1 3.28Å
655	C	86.3	Confident	85.2	Confident	24 Å²	24	45.2 Å²	45.2	16%	0.162	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.6	-169.2	62.4	0	0	0	0	113.4	Q623 T649 D653	Q623-C655 CarbonylContact O-C 3.58Å; Q623-C655 VanDerWaalsContact O-CA 3.23Å; Q623-C655 WeakPolarHBondContact O-CA 3.46Å; T649-C655 PolarHBondContact N-O 3.34Å; T649-C655 PolarHBondContact O-N 2.86Å; D653-C655 PolarHBondContact O-N 3.44Å
656	L	89.5	Confident	85.1	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.4	164.5	-56.1	-178.6	0	0	0	108.4	A604 Y613 L615 A622 Q623 L624 S625 V643 Y645 F648 V659	A604-L656 HydrophobicContact CB-CD1 3.78Å; Y613-L656 HydrophobicContact CG-CD1 4.2Å; L615-L656 HydrophobicContact CD1-CD2 4.26Å; A622-L656 HydrophobicContact CB-CD1 4.39Å; A622-L656 HydrophobicContact CB-CD2 3.78Å; A622-L656 HydrophobicContact CB-CG 3.75Å; Q623-L656 PolarHBondContact O-N 3.22Å; L624-L656 HydrophobicContact CD2-CB 4.39Å; L624-L656 HydrophobicContact CD2-CD1 4.47Å; S625-L656 VanDerWaalsContact CB-O 3.3Å; S625-L656 WeakPolarHBondContact CB-O 3.31Å; S625-L656 PolarHBondContact N-O 3.21Å; V643-L656 HydrophobicContact CG2-CD1 4.24Å; Y645-L656 HydrophobicContact CD1-CD1 4.24Å; Y645-L656 HydrophobicContact CD1-CD2 3.84Å; Y645-L656 HydrophobicContact CD2-CD2 4.06Å; Y645-L656 HydrophobicContact CE1-CD2 4.11Å; Y645-L656 HydrophobicContact CE2-CD2 4.33Å; Y645-L656 HydrophobicContact CG-CD2 3.82Å; F648-L656 HydrophobicContact CB-CD2 4.04Å; F648-L656 HydrophobicContact CD2-CD2 3.76Å; F648-L656 HydrophobicContact CG-CD2 4.13Å; L656-V659 HydrophobicContact CB-CG2 3.87Å
657	S	88.2	Confident	85.2	Confident	26 Å²	26	43.9 Å²	43.9	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.7	-178.9	-61.5	0	0	0	0	110.8	H646 N647	H646-S657 PolarHBondContact N-O 2.92Å; N647-S657 PolarHBondContact N-O 3Å; N647-S657 VanDerWaalsContact N-O 3.14Å; N647-S657 PolarHBondContact O-N 2.67Å
658	I	90.7	Very high	85.5	Confident	29 Å²	29	41.1 Å²	41.1	15%	0.149	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.3	87.2	-172.5	-46.5	174.4	0	0	0	110.2	L497 A500 D525 H526 L529 Y645 H646	L497-I658 HydrophobicContact CD2-CD1 3.68Å; L497-I658 HydrophobicContact CD2-CG2 3.97Å; A500-I658 HydrophobicContact CB-CD1 4.34Å; D525-I658 HydrophobicContact CB-CB 4.38Å; D525-I658 HydrophobicContact CB-CG2 3.93Å; D525-I658 WeakPolarHBondContact OD2-CA 3.4Å; H526-I658 PolarHBondContact CE1-O 3.05Å; H526-I658 VanDerWaalsContact CE1-O 3.27Å; L529-I658 HydrophobicContact CD1-CD1 4.47Å; L529-I658 HydrophobicContact CD1-CG2 3.98Å; Y645-I658 WeakPolarHBondContact CA-O 3.32Å; H646-I658 HydrophobicContact CB-CB 3.85Å; H646-I658 HydrophobicContact CB-CD1 4.41Å; H646-I658 HydrophobicContact CB-CG2 4.25Å; H646-I658 PolarHBondContact N-O 3.46Å
659	V	92.9	Very high	85.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.6	-168.2	-174.3	0	0	0	0	110.9	G524 D525 L624 Y630 V643 L644 L656	G524-V659 WeakPolarHBondContact CA-O 3.36Å; D525-V659 PolarHBondContact N-O 2.83Å; D525-V659 PolarHBondContact OD2-N 2.71Å; L624-V659 HydrophobicContact CD2-CB 4.3Å; L624-V659 HydrophobicContact CD2-CG1 3.92Å; L624-V659 HydrophobicContact CD2-CG2 3.99Å; Y630-V659 HydrophobicContact CE2-CG1 4.41Å; Y630-V659 WeakPolarHBondContact CE2-O 3.39Å; V643-V659 HydrophobicContact CB-CG1 3.45Å; V643-V659 VanDerWaalsContact CB-CG1 3.45Å; V643-V659 HydrophobicContact CG1-CG1 3.67Å; V643-V659 HydrophobicContact CG2-CG1 3.93Å; L644-V659 WeakPolarHBondContact O-CA 3.27Å; L656-V659 HydrophobicContact CB-CG2 3.87Å
660	S	93.8	Very high	86.5	Confident	6 Å²	6	45.2 Å²	45.2	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.1	171.4	-76.4	0	0	0	0	111.8	H526 V643 L644	H526-S660 WeakPolarHBondContact CB-OG 3.11Å; H526-S660 WeakPolarHBondContact ND1-CB 3.45Å; H526-S660 PolarHBondContact ND1-OG 3.31Å; V643-S660 WeakPolarHBondContact CA-O 3.34Å; L644-S660 PolarHBondContact N-O 3.02Å; L644-S660 PolarHBondContact O-N 3.36Å
661	E	93.3	Very high	87.1	Confident	78 Å²	78	44.3 Å²	44.3	36%	0.364	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	141.1	171.6	179.5	166.1	-157.7	0	0	110.1	Q592 Y630 P640	Q592-E661 PolarHBondContact NE2-O 2.88Å; Y630-E661 WeakPolarHBondContact OH-CB 3.3Å; Y630-E661 PolarHBondContact OH-N 2.79Å; P640-E661 HydrophobicContact CB-CB 3.72Å; P640-E661 VanDerWaalsContact CB-CD 3.5Å; P640-E661 HydrophobicContact CB-CG 3.58Å; P640-E661 HydrophobicContact CG-CB 3.93Å; P640-E661 HydrophobicContact CG-CG 4.35Å
662	I	93.9	Very high	87.8	Confident	6 Å²	6	43.4 Å²	43.4	3%	0.031	22%	0.22	C	C	.	.			trans	-134.1	153	173.8	61.7	169.3	0	0	0	110.8	V596 V603 W642 L644 L667	V596-I662 HydrophobicContact CG2-CB 4.41Å; V596-I662 HydrophobicContact CG2-CD1 4.47Å; V596-I662 HydrophobicContact CG2-CG2 3.96Å; V603-I662 HydrophobicContact CB-CD1 4.5Å; V603-I662 HydrophobicContact CG1-CD1 3.74Å; V603-I662 HydrophobicContact CG2-CD1 3.91Å; W642-I662 HydrophobicContact CB-CG1 4.05Å; W642-I662 WeakPolarHBondContact CB-O 3.46Å; W642-I662 PolarHBondContact O-N 2.83Å; L644-I662 HydrophobicContact CB-CD1 4.31Å; L644-I662 HydrophobicContact CB-CG2 3.63Å; L644-I662 HydrophobicContact CD1-CG2 4.27Å; I662-L667 HydrophobicContact CD1-CD1 4.3Å; I662-L667 HydrophobicContact CD1-CD2 3.84Å; I662-L667 HydrophobicContact CD1-CG 4.31Å
663	E	92.4	Very high	89	Confident	69 Å²	69	37.5 Å²	37.5	32%	0.322	20%	0.203	S	C	.	.			trans	-89.5	128.2	172.8	-67	179.6	-165.6	0	0	109.6	R588 Q665 M666	R588-E663 IonicContact NH2-OE1 3.2Å; E663-Q665 PolarHBondContact O-N 3.21Å; E663-Q665 VanDerWaalsContact O-N 3.13Å; E663-M666 HydrophobicContact CB-CE 4.16Å; E663-M666 HydrophobicContact CB-CG 4.25Å; E663-M666 HydrophobicContact CB-SD 4.32Å; E663-M666 HydrophobicContact CG-CE 4.38Å; E663-M666 WeakPolarHBondContact O-CB 3.42Å; E663-M666 PolarHBondContact O-N 2.98Å
664	P	92.2	Very high	89.9	Confident	20 Å²	20	31.9 Å²	31.9	13%	0.13	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-21.7	-176.1	24.9	-34.4	0	0	0	113.6	W642 M666 L667 L688 L691	W642-P664 HydrophobicContact CD2-CB 4.02Å; W642-P664 HydrophobicContact CE3-CB 4.3Å; W642-P664 HydrophobicContact CG-CB 4.43Å; W642-P664 HydrophobicContact CH2-CB 4.46Å; W642-P664 HydrophobicContact CZ2-CB 4.22Å; W642-P664 HydrophobicContact CZ3-CB 4.48Å; P664-M666 PolarHBondContact O-N 3.34Å; P664-L667 WeakPolarHBondContact O-CB 3.49Å; P664-L667 PolarHBondContact O-N 2.9Å; P664-L688 HydrophobicContact CB-CD2 4.02Å; P664-L688 WeakPolarHBondContact O-CD2 3.17Å; P664-L691 HydrophobicContact CB-CD1 3.89Å; P664-L691 HydrophobicContact CG-CD1 3.91Å
665	Q	92.6	Very high	89.9	Confident	74 Å²	74	29.5 Å²	29.5	35%	0.346	16%	0.159	S	C	.	.	H	α-helix	trans	-58.7	-37.9	173.5	-66.1	82.7	-7.7	0	0	111.7	E663 L667 V668 E669 L691	E663-Q665 PolarHBondContact O-N 3.21Å; E663-Q665 VanDerWaalsContact O-N 3.13Å; Q665-L667 PolarHBondContact O-N 3.07Å; Q665-V668 PolarHBondContact O-N 3.45Å; Q665-V668 VanDerWaalsContact O-N 3.14Å; Q665-E669 PolarHBondContact O-N 3.14Å; Q665-L691 HydrophobicContact CG-CD1 4.49Å; Q665-L691 HydrophobicContact CG-CD2 4.29Å
666	M	92.5	Very high	89.6	Confident	7 Å²	7	29.3 Å²	29.3	3%	0.034	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-31.4	-179.8	-61	177.3	178.6	0	0	112	Q592 K593 E663 P664 V668 E669 L670	Q592-M666 HydrophobicContact CB-CE 4.07Å; Q592-M666 HydrophobicContact CB-SD 3.86Å; K593-M666 HydrophobicContact CG-CE 4.38Å; K593-M666 HydrophobicContact CG-SD 4.24Å; E663-M666 HydrophobicContact CB-CE 4.16Å; E663-M666 HydrophobicContact CB-CG 4.25Å; E663-M666 HydrophobicContact CB-SD 4.32Å; E663-M666 HydrophobicContact CG-CE 4.38Å; E663-M666 WeakPolarHBondContact O-CB 3.42Å; E663-M666 PolarHBondContact O-N 2.98Å; P664-M666 PolarHBondContact O-N 3.34Å; M666-V668 VanDerWaalsContact C-N 3.32Å; M666-V668 PolarHBondContact O-N 2.9Å; M666-E669 PolarHBondContact O-N 2.88Å; M666-L670 HydrophobicContact CB-CD1 4.33Å; M666-L670 VanDerWaalsContact O-CB 3.29Å; M666-L670 WeakPolarHBondContact O-CB 3.14Å; M666-L670 WeakPolarHBondContact O-CG 3.21Å; M666-L670 PolarHBondContact O-N 3.26Å
667	L	91.8	Very high	89.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-37.9	177.8	-57.7	-178.3	0	0	0	111.7	V596 V603 W642 I662 P664 Q665 A671 F675 L688	V596-L667 HydrophobicContact CG1-CD2 3.83Å; V596-L667 HydrophobicContact CG2-CD2 4.44Å; V603-L667 HydrophobicContact CG1-CD1 4.08Å; V603-L667 HydrophobicContact CG2-CD2 4.04Å; W642-L667 HydrophobicContact CE3-CD1 3.93Å; W642-L667 HydrophobicContact CZ3-CD1 3.71Å; I662-L667 HydrophobicContact CD1-CD1 4.3Å; I662-L667 HydrophobicContact CD1-CD2 3.84Å; I662-L667 HydrophobicContact CD1-CG 4.31Å; P664-L667 WeakPolarHBondContact O-CB 3.49Å; P664-L667 PolarHBondContact O-N 2.9Å; Q665-L667 PolarHBondContact O-N 3.07Å; L667-A671 CarbonylContact O-C 3.43Å; L667-A671 PolarHBondContact O-N 3.45Å; L667-A671 VanDerWaalsContact O-N 3.15Å; L667-F675 HydrophobicContact CB-CD2 3.74Å; L667-F675 HydrophobicContact CB-CE2 3.7Å; L667-F675 HydrophobicContact CB-CG 4.29Å; L667-F675 HydrophobicContact CB-CZ 4.25Å; L667-F675 HydrophobicContact CD1-CE1 4.25Å; L667-F675 HydrophobicContact CD1-CE2 4.36Å; L667-F675 HydrophobicContact CD1-CZ 4.05Å; L667-F675 HydrophobicContact CD2-CE2 3.67Å; L667-F675 HydrophobicContact CD2-CZ 3.76Å; L667-F675 HydrophobicContact CG-CE2 4.1Å; L667-F675 HydrophobicContact CG-CZ 4.23Å; L667-F675 WeakPolarHBondContact O-CD2 3.47Å; L667-L688 HydrophobicContact CB-CD2 4.31Å; L667-L688 HydrophobicContact CD1-CD2 4.34Å
668	V	90.9	Very high	88.6	Confident	11 Å²	11	36.1 Å²	36.1	7%	0.067	20%	0.197	C	C	.	.	H	α-helix	trans	-75.7	-35.4	178.6	-178.2	0	0	0	0	111	Q665 M666 P672 L676 L688 R692 M695	Q665-V668 PolarHBondContact O-N 3.45Å; Q665-V668 VanDerWaalsContact O-N 3.14Å; M666-V668 VanDerWaalsContact C-N 3.32Å; M666-V668 PolarHBondContact O-N 2.9Å; V668-P672 WeakPolarHBondContact O-CB 3.32Å; V668-P672 WeakPolarHBondContact O-CD 3.46Å; V668-P672 WeakPolarHBondContact O-CG 3.39Å; V668-L676 HydrophobicContact CG1-CD1 4.49Å; V668-L688 HydrophobicContact CG2-CB 4.1Å; V668-L688 HydrophobicContact CG2-CD2 3.76Å; V668-R692 HydrophobicContact CG1-CB 3.8Å; V668-R692 HydrophobicContact CG1-CG 4.17Å; V668-M695 HydrophobicContact CB-CE 3.74Å; V668-M695 HydrophobicContact CG1-CE 3.65Å; V668-M695 HydrophobicContact CG2-CE 4.38Å
669	E	90	Very high	88.1	Confident	100 Å²	100	34.9 Å²	34.9	47%	0.467	19%	0.191	S	C	.	.	H	α-helix	trans	-70.8	-47.8	178	-174.6	-175.4	157.7	0	0	112	K593 Q665 M666	K593-E669 IonicContact NZ-OE1 2.81Å; K593-E669 PolarHBondContact NZ-OE1 3.42Å; K593-E669 IonicContact NZ-OE2 3.48Å; K593-E669 PolarHBondContact NZ-OE2 2.96Å; Q665-E669 PolarHBondContact O-N 3.14Å; M666-E669 PolarHBondContact O-N 2.88Å
670	L	90.4	Very high	87.5	Confident	30 Å²	30	36.4 Å²	36.4	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-96.5	-30.6	-167	-61.2	172.3	0	0	0	114.2	F484 K593 V596 M666 P672	F484-L670 HydrophobicContact CE1-CD2 4.46Å; F484-L670 HydrophobicContact CZ-CD2 3.79Å; K593-L670 HydrophobicContact CB-CD1 3.93Å; K593-L670 HydrophobicContact CG-CD1 4.12Å; K593-L670 WeakPolarHBondContact O-CD1 3.5Å; V596-L670 HydrophobicContact CB-CD1 3.99Å; V596-L670 HydrophobicContact CG1-CB 4.24Å; V596-L670 HydrophobicContact CG1-CD1 3.82Å; M666-L670 HydrophobicContact CB-CD1 4.33Å; M666-L670 VanDerWaalsContact O-CB 3.29Å; M666-L670 WeakPolarHBondContact O-CB 3.14Å; M666-L670 WeakPolarHBondContact O-CG 3.21Å; M666-L670 PolarHBondContact O-N 3.26Å; L670-P672 VanDerWaalsContact C-CD 3.4Å
671	A	89	Confident	86.8	Confident	8 Å²	8	41.2 Å²	41.2	7%	0.066	23%	0.232	C	C	.	.			trans	-132.6	52.2	179.5	0	0	0	0	0	113.4	F600 L667 Y674 F675	F600-A671 HydrophobicContact CB-CB 3.96Å; F600-A671 HydrophobicContact CD1-CB 4.32Å; F600-A671 HydrophobicContact CD2-CB 3.8Å; F600-A671 HydrophobicContact CE2-CB 4.39Å; F600-A671 HydrophobicContact CG-CB 3.77Å; L667-A671 CarbonylContact O-C 3.43Å; L667-A671 PolarHBondContact O-N 3.45Å; L667-A671 VanDerWaalsContact O-N 3.15Å; A671-Y674 PolarHBondContact O-N 3.23Å; A671-F675 HydrophobicContact CB-CD2 3.97Å; A671-F675 HydrophobicContact CB-CE2 3.99Å; A671-F675 WeakPolarHBondContact O-CD2 3.47Å; A671-F675 PolarHBondContact O-N 3.4Å
672	P	85.6	Confident	86.3	Confident	38 Å²	38	38.9 Å²	38.9	25%	0.247	22%	0.224	C	C	.	.	H	α-helix	trans	-57.2	-43.6	-177.3	9.1	-13.7	0	0	0	114.7	V668 L670 Y674 F675 L676	V668-P672 WeakPolarHBondContact O-CB 3.32Å; V668-P672 WeakPolarHBondContact O-CD 3.46Å; V668-P672 WeakPolarHBondContact O-CG 3.39Å; L670-P672 VanDerWaalsContact C-CD 3.4Å; P672-Y674 VanDerWaalsContact C-N 3.29Å; P672-Y674 PolarHBondContact O-N 3.27Å; P672-F675 PolarHBondContact O-N 3.21Å; P672-L676 HydrophobicContact CB-CD1 3.7Å; P672-L676 HydrophobicContact CB-CG 4.5Å; P672-L676 VanDerWaalsContact O-CB 3.22Å; P672-L676 WeakPolarHBondContact O-CB 3.28Å; P672-L676 VanDerWaalsContact O-CG 3.28Å; P672-L676 WeakPolarHBondContact O-CG 3.23Å; P672-L676 PolarHBondContact O-N 3.44Å
673	P	83.5	Confident	85.9	Confident	82 Å²	82	45 Å²	45	53%	0.532	25%	0.253	S	S	.	.	H	α-helix	trans	-57.8	-43.1	-178.4	-25.3	34.6	0	0	0	112.3	S677	P673-S677 WeakPolarHBondContact O-CB 3.47Å; P673-S677 PolarHBondContact O-N 3.02Å
674	Y	84.9	Confident	85.5	Confident	10 Å²	10	41.9 Å²	41.9	4%	0.039	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-51.3	-178.5	-171.8	-108.9	0	0	0	112	Y448 F600 L601 T617 A671 P672 N678	Y448-Y674 AromaticContact CD1-CD2 3.9Å; Y448-Y674 HydrophobicContact CD1-CD2 3.9Å; Y448-Y674 HydrophobicContact CD2-CD2 4.18Å; Y448-Y674 HydrophobicContact CD2-CE2 4.14Å; Y448-Y674 AromaticContact CE1-CD2 3.65Å; Y448-Y674 HydrophobicContact CE1-CD2 3.65Å; Y448-Y674 HydrophobicContact CE1-CE2 4.31Å; Y448-Y674 AromaticContact CE2-CD2 3.93Å; Y448-Y674 HydrophobicContact CE2-CD2 3.93Å; Y448-Y674 AromaticContact CE2-CE2 3.76Å; Y448-Y674 HydrophobicContact CE2-CE2 3.76Å; Y448-Y674 HydrophobicContact CG-CD2 4.18Å; Y448-Y674 AromaticContact CZ-CD2 3.69Å; Y448-Y674 AromaticContact CZ-CE2 3.88Å; F600-Y674 AromaticContact CD2-CD1 3.86Å; F600-Y674 HydrophobicContact CD2-CD1 3.86Å; F600-Y674 HydrophobicContact CD2-CE1 4.41Å; F600-Y674 HydrophobicContact CD2-CG 4.03Å; F600-Y674 HydrophobicContact CE2-CD1 4.31Å; F600-Y674 HydrophobicContact CE2-CD2 4.41Å; F600-Y674 HydrophobicContact CE2-CG 4.04Å; L601-Y674 HydrophobicContact CD2-CD1 4.17Å; L601-Y674 HydrophobicContact CD2-CD2 3.8Å; L601-Y674 HydrophobicContact CD2-CE1 3.66Å; L601-Y674 HydrophobicContact CD2-CE2 3.28Å; L601-Y674 HydrophobicContact CD2-CG 4.21Å; L601-Y674 VanDerWaalsContact CD2-OH 3.31Å; L601-Y674 WeakPolarHBondContact CD2-OH 3.43Å; T617-Y674 HydrophobicContact CG2-CE1 3.7Å; T617-Y674 WeakPolarHBondContact CG2-OH 3.03Å; A671-Y674 PolarHBondContact O-N 3.23Å; P672-Y674 VanDerWaalsContact C-N 3.29Å; P672-Y674 PolarHBondContact O-N 3.27Å; Y674-N678 WeakPolarHBondContact O-CB 2.92Å; Y674-N678 PolarHBondContact O-N 2.99Å
675	F	84.4	Confident	85.2	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-81.5	-28.6	-172	-71.7	-69.4	0	0	0	114.6	F600 V603 L616 L667 A671 P672 L679 L688	F600-F675 HydrophobicContact CB-CE2 3.84Å; F600-F675 HydrophobicContact CB-CZ 4.18Å; F600-F675 WeakPolarHBondContact O-CZ 3.33Å; V603-F675 HydrophobicContact CG2-CZ 4.26Å; L616-F675 HydrophobicContact CD1-CD1 4.48Å; L616-F675 HydrophobicContact CD1-CE1 3.87Å; L667-F675 HydrophobicContact CB-CD2 3.74Å; L667-F675 HydrophobicContact CB-CE2 3.7Å; L667-F675 HydrophobicContact CB-CG 4.29Å; L667-F675 HydrophobicContact CB-CZ 4.25Å; L667-F675 HydrophobicContact CD1-CE1 4.25Å; L667-F675 HydrophobicContact CD1-CE2 4.36Å; L667-F675 HydrophobicContact CD1-CZ 4.05Å; L667-F675 HydrophobicContact CD2-CE2 3.67Å; L667-F675 HydrophobicContact CD2-CZ 3.76Å; L667-F675 HydrophobicContact CG-CE2 4.1Å; L667-F675 HydrophobicContact CG-CZ 4.23Å; L667-F675 WeakPolarHBondContact O-CD2 3.47Å; A671-F675 HydrophobicContact CB-CD2 3.97Å; A671-F675 HydrophobicContact CB-CE2 3.99Å; A671-F675 WeakPolarHBondContact O-CD2 3.47Å; A671-F675 PolarHBondContact O-N 3.4Å; P672-F675 PolarHBondContact O-N 3.21Å; F675-L679 HydrophobicContact CB-CD1 4.18Å; F675-L679 HydrophobicContact CD1-CD1 3.72Å; F675-L679 HydrophobicContact CD1-CD2 4.22Å; F675-L679 HydrophobicContact CD1-CG 4.08Å; F675-L679 HydrophobicContact CG-CD1 4.45Å; F675-L679 VanDerWaalsContact O-CD1 3.24Å; F675-L679 WeakPolarHBondContact O-CD1 2.96Å; F675-L679 WeakPolarHBondContact O-CG 3.37Å; F675-L688 HydrophobicContact CB-CD1 4.18Å; F675-L688 HydrophobicContact CD1-CD1 4.2Å; F675-L688 HydrophobicContact CG-CD1 4.41Å
676	L	79.8	Confident	84.9	Confident	21 Å²	21	45.3 Å²	45.3	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-89.7	-31.2	-174.4	-59.1	172.6	0	0	0	112.6	V668 P672 R692	V668-L676 HydrophobicContact CG1-CD1 4.49Å; P672-L676 HydrophobicContact CB-CD1 3.7Å; P672-L676 HydrophobicContact CB-CG 4.5Å; P672-L676 VanDerWaalsContact O-CB 3.22Å; P672-L676 WeakPolarHBondContact O-CB 3.28Å; P672-L676 VanDerWaalsContact O-CG 3.28Å; P672-L676 WeakPolarHBondContact O-CG 3.23Å; P672-L676 PolarHBondContact O-N 3.44Å; L676-R692 HydrophobicContact CD1-CG 4.49Å
677	S	77.7	Confident	84.8	Confident	84 Å²	84	47.4 Å²	47.4	59%	0.587	26%	0.264	S	S	*	.	H	α-helix	trans	-99.1	-41	-176.7	-56.4	0	0	0	0	112.5	P673	P673-S677 WeakPolarHBondContact O-CB 3.47Å; P673-S677 PolarHBondContact O-N 3.02Å
678	N	78	Confident	84.6	Confident	84 Å²	84	47.4 Å²	47.4	45%	0.449	26%	0.264	S	S	.	.	S	Bend	trans	-100	-12	-164.5	-59.1	-13.7	0	0	0	113.9	Y448 Y674	Y448-N678 PolarHBondContact OH-ND2 3.28Å; Y674-N678 WeakPolarHBondContact O-CB 2.92Å; Y674-N678 PolarHBondContact O-N 2.99Å
679	L	80.4	Confident	84.4	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	27%	0.267	C	S	.	.	S	Bend	trans	-66.9	135.8	178.3	-77.7	-178.2	0	0	0	112.2	L616 T617 F675 R685 L688	L616-L679 HydrophobicContact CB-CD2 3.92Å; T617-L679 HydrophobicContact CG2-CD2 4.1Å; F675-L679 HydrophobicContact CB-CD1 4.18Å; F675-L679 HydrophobicContact CD1-CD1 3.72Å; F675-L679 HydrophobicContact CD1-CD2 4.22Å; F675-L679 HydrophobicContact CD1-CG 4.08Å; F675-L679 HydrophobicContact CG-CD1 4.45Å; F675-L679 VanDerWaalsContact O-CD1 3.24Å; F675-L679 WeakPolarHBondContact O-CD1 2.96Å; F675-L679 WeakPolarHBondContact O-CG 3.37Å; L679-R685 HydrophobicContact CB-CB 4.19Å; L679-R685 HydrophobicContact CB-CG 4.36Å; L679-R685 HydrophobicContact CD1-CB 4.41Å; L679-R685 WeakPolarHBondContact O-CD 3.38Å; L679-R685 PolarHBondContact O-NH1 3.43Å; L679-L688 HydrophobicContact CD1-CD1 3.68Å
680	P	79.7	Confident	84.4	Confident	32 Å²	32	49.3 Å²	49.3	21%	0.208	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.3	151.9	171.5	27.4	-33.5	0	0	0	110.6	S682	P680-S682 PolarHBondContact O-N 3.14Å; P680-S682 VanDerWaalsContact O-N 3.09Å; P680-S682 PolarHBondContact O-OG 2.85Å; P680-S682 VanDerWaalsContact O-OG 3.06Å
681	P	80.6	Confident	84.3	Confident	106 Å²	106	49.7 Å²	49.7	69%	0.688	28%	0.275	S	S	*	.	S	Bend	trans	-51.4	120.4	173.5	-26.3	34.4	0	0	0	111
682	S	83.3	Confident	84.2	Confident	29 Å²	29	54 Å²	54	20%	0.203	29%	0.289	C	S	.	.	S	Bend	trans	-166.2	157.7	-173.5	59.5	0	0	0	0	110.8	P680 S684 R685 D686	P680-S682 PolarHBondContact O-N 3.14Å; P680-S682 VanDerWaalsContact O-N 3.09Å; P680-S682 PolarHBondContact O-OG 2.85Å; P680-S682 VanDerWaalsContact O-OG 3.06Å; S682-S684 PolarHBondContact O-N 3.19Å; S682-S684 VanDerWaalsContact O-N 3.15Å; S682-R685 WeakPolarHBondContact O-CB 3.41Å; S682-R685 PolarHBondContact O-N 3.23Å; S682-R685 PolarHBondContact OG-N 3.4Å; S682-D686 PolarHBondContact O-N 3.07Å; S682-D686 VanDerWaalsContact O-N 3.08Å
683	E	84	Confident	84.2	Confident	135 Å²	135	57.5 Å²	57.5	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-58.3	-27.4	174	-63.3	-176.6	173.6	0	0	112.8	R605 L687	R605-E683 PolarHBondContact NH1-O 3.13Å; E683-L687 WeakPolarHBondContact O-CB 3.47Å; E683-L687 PolarHBondContact O-N 3.25Å; E683-L687 VanDerWaalsContact O-N 3.08Å
684	S	85	Confident	84.2	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-69.3	-43.2	174.2	-61.1	0	0	0	0	112.3	R605 L616 S682 D686 L687 L688	R605-S684 WeakPolarHBondContact CD-OG 3.45Å; R605-S684 PolarHBondContact NH1-OG 3.25Å; R605-S684 VanDerWaalsContact NH1-OG 3.09Å; L616-S684 WeakPolarHBondContact CD2-OG 3.35Å; S682-S684 PolarHBondContact O-N 3.19Å; S682-S684 VanDerWaalsContact O-N 3.15Å; S684-D686 VanDerWaalsContact C-N 3.33Å; S684-D686 PolarHBondContact O-N 3.32Å; S684-L687 PolarHBondContact O-N 3.45Å; S684-L688 VanDerWaalsContact O-CG 3.26Å; S684-L688 WeakPolarHBondContact O-CG 3.38Å; S684-L688 PolarHBondContact O-N 2.7Å
685	R	85.1	Confident	83.9	Confident	75 Å²	75	58 Å²	58	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-41.8	174.5	176.1	176.3	169	161	2.2	111.3	L679 S682 L688 N689	L679-R685 HydrophobicContact CB-CB 4.19Å; L679-R685 HydrophobicContact CB-CG 4.36Å; L679-R685 HydrophobicContact CD1-CB 4.41Å; L679-R685 WeakPolarHBondContact O-CD 3.38Å; L679-R685 PolarHBondContact O-NH1 3.43Å; S682-R685 WeakPolarHBondContact O-CB 3.41Å; S682-R685 PolarHBondContact O-N 3.23Å; S682-R685 PolarHBondContact OG-N 3.4Å; R685-L688 PolarHBondContact O-N 3.09Å; R685-N689 WeakPolarHBondContact CG-ND2 3.41Å; R685-N689 PolarHBondContact O-N 2.94Å; R685-N689 PolarHBondContact O-ND2 2.92Å
686	D	87.4	Confident	83.5	Confident	91 Å²	91	60.6 Å²	60.6	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-64.9	-43.4	179.9	-63.5	-22.9	0	0	0	111.2	S682 S684 L688 N689 Q690	S682-D686 PolarHBondContact O-N 3.07Å; S682-D686 VanDerWaalsContact O-N 3.08Å; S684-D686 VanDerWaalsContact C-N 3.33Å; S684-D686 PolarHBondContact O-N 3.32Å; D686-L688 PolarHBondContact O-N 3.35Å; D686-N689 PolarHBondContact O-N 2.98Å; D686-Q690 WeakPolarHBondContact O-CG 3.3Å; D686-Q690 PolarHBondContact O-N 2.82Å
687	L	88.6	Confident	83.1	Confident	52 Å²	52	65.3 Å²	65.3	27%	0.272	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-46.4	174.9	-173.3	76.6	0	0	0	111.9	W642 E683 S684 N689 Q690 L691	W642-L687 HydrophobicContact CZ2-CD2 3.61Å; E683-L687 WeakPolarHBondContact O-CB 3.47Å; E683-L687 PolarHBondContact O-N 3.25Å; E683-L687 VanDerWaalsContact O-N 3.08Å; S684-L687 PolarHBondContact O-N 3.45Å; L687-N689 VanDerWaalsContact C-N 3.33Å; L687-N689 PolarHBondContact O-N 3.13Å; L687-Q690 PolarHBondContact O-N 2.89Å; L687-L691 HydrophobicContact CG-CD1 4.36Å; L687-L691 WeakPolarHBondContact O-CG 3.45Å; L687-L691 PolarHBondContact O-N 2.8Å
688	L	89.2	Confident	82.5	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-36.5	-179.4	-67.8	169.6	0	0	0	112	W642 P664 L667 V668 F675 L679 S684 R685 D686 L691 R692	W642-L688 HydrophobicContact CH2-CD1 4.26Å; W642-L688 HydrophobicContact CH2-CD2 4.28Å; W642-L688 HydrophobicContact CH2-CG 4.22Å; P664-L688 HydrophobicContact CB-CD2 4.02Å; P664-L688 WeakPolarHBondContact O-CD2 3.17Å; L667-L688 HydrophobicContact CB-CD2 4.31Å; L667-L688 HydrophobicContact CD1-CD2 4.34Å; V668-L688 HydrophobicContact CG2-CB 4.1Å; V668-L688 HydrophobicContact CG2-CD2 3.76Å; F675-L688 HydrophobicContact CB-CD1 4.18Å; F675-L688 HydrophobicContact CD1-CD1 4.2Å; F675-L688 HydrophobicContact CG-CD1 4.41Å; L679-L688 HydrophobicContact CD1-CD1 3.68Å; S684-L688 VanDerWaalsContact O-CG 3.26Å; S684-L688 WeakPolarHBondContact O-CG 3.38Å; S684-L688 PolarHBondContact O-N 2.7Å; R685-L688 PolarHBondContact O-N 3.09Å; D686-L688 PolarHBondContact O-N 3.35Å; L688-L691 HydrophobicContact CD2-CD1 4.47Å; L688-L691 PolarHBondContact O-N 2.96Å; L688-R692 PolarHBondContact O-N 3.09Å
689	N	86.7	Confident	81.5	Confident	26 Å²	26	63.4 Å²	63.4	14%	0.139	35%	0.349	C	S	.	.	H	α-helix	trans	-66.9	-39.9	173.8	-78.2	-64.4	0	0	0	112.4	R685 D686 L687 L691 R692 E693	R685-N689 WeakPolarHBondContact CG-ND2 3.41Å; R685-N689 PolarHBondContact O-N 2.94Å; R685-N689 PolarHBondContact O-ND2 2.92Å; D686-N689 PolarHBondContact O-N 2.98Å; L687-N689 VanDerWaalsContact C-N 3.33Å; L687-N689 PolarHBondContact O-N 3.13Å; N689-L691 VanDerWaalsContact C-N 3.35Å; N689-R692 WeakPolarHBondContact O-CB 3.5Å; N689-R692 PolarHBondContact O-N 3.38Å; N689-R692 VanDerWaalsContact OD1-CZ 3.32Å; N689-R692 PolarHBondContact OD1-NH1 3.17Å; N689-R692 PolarHBondContact OD1-NH2 3.04Å; N689-R692 VanDerWaalsContact OD1-NH2 3.13Å; N689-E693 WeakPolarHBondContact O-CG 3.3Å; N689-E693 PolarHBondContact O-N 3.49Å
690	Q	88.9	Confident	80.2	Confident	124 Å²	124	66.3 Å²	66.3	58%	0.579	37%	0.374	S	S	*	.	H	α-helix	trans	-63.4	-41.1	174.3	-71.3	170.8	12.4	0	0	111.9	D686 L687 R692 E693 G694	D686-Q690 WeakPolarHBondContact O-CG 3.3Å; D686-Q690 PolarHBondContact O-N 2.82Å; L687-Q690 PolarHBondContact O-N 2.89Å; Q690-R692 VanDerWaalsContact C-N 3.32Å; Q690-R692 PolarHBondContact O-N 2.81Å; Q690-E693 PolarHBondContact O-N 2.6Å; Q690-G694 PolarHBondContact O-N 3.16Å
691	L	89.2	Confident	78.5	Confident	38 Å²	38	67 Å²	67	20%	0.199	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-40.2	175.9	-72.6	173.5	0	0	0	111.7	P664 Q665 L687 L688 N689 G694 M695	P664-L691 HydrophobicContact CB-CD1 3.89Å; P664-L691 HydrophobicContact CG-CD1 3.91Å; Q665-L691 HydrophobicContact CG-CD1 4.49Å; Q665-L691 HydrophobicContact CG-CD2 4.29Å; L687-L691 HydrophobicContact CG-CD1 4.36Å; L687-L691 WeakPolarHBondContact O-CG 3.45Å; L687-L691 PolarHBondContact O-N 2.8Å; L688-L691 HydrophobicContact CD2-CD1 4.47Å; L688-L691 PolarHBondContact O-N 2.96Å; N689-L691 VanDerWaalsContact C-N 3.35Å; L691-G694 PolarHBondContact O-N 3.16Å; L691-M695 HydrophobicContact CB-CE 4.3Å; L691-M695 WeakPolarHBondContact O-CE 3.26Å; L691-M695 WeakPolarHBondContact O-CG 3.48Å; L691-M695 PolarHBondContact O-N 3.43Å
692	R	86.8	Confident	76.6	Confident	99 Å²	99	65 Å²	65	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-59.8	-47.7	173.8	-176.8	-171	66.7	-164.5	-8	112	V668 L676 L688 N689 Q690 M695 A696	V668-R692 HydrophobicContact CG1-CB 3.8Å; V668-R692 HydrophobicContact CG1-CG 4.17Å; L676-R692 HydrophobicContact CD1-CG 4.49Å; L688-R692 PolarHBondContact O-N 3.09Å; N689-R692 WeakPolarHBondContact O-CB 3.5Å; N689-R692 PolarHBondContact O-N 3.38Å; N689-R692 VanDerWaalsContact OD1-CZ 3.32Å; N689-R692 PolarHBondContact OD1-NH1 3.17Å; N689-R692 PolarHBondContact OD1-NH2 3.04Å; N689-R692 VanDerWaalsContact OD1-NH2 3.13Å; Q690-R692 VanDerWaalsContact C-N 3.32Å; Q690-R692 PolarHBondContact O-N 2.81Å; R692-M695 PolarHBondContact O-N 3.33Å; R692-A696 PolarHBondContact O-N 3.31Å
693	E	86	Confident	74.4	Confident	111 Å²	111	70.8 Å²	70.8	52%	0.519	40%	0.399	S	S	.	.	H	α-helix	trans	-61.3	-44.3	179.1	-71.9	172.1	-173	0	0	111.2	N689 Q690 M695 A696 D697	N689-E693 WeakPolarHBondContact O-CG 3.3Å; N689-E693 PolarHBondContact O-N 3.49Å; Q690-E693 PolarHBondContact O-N 2.6Å; E693-M695 VanDerWaalsContact C-N 3.3Å; E693-M695 PolarHBondContact O-N 3.12Å; E693-A696 PolarHBondContact O-N 2.94Å; E693-D697 PolarHBondContact O-N 2.9Å
694	G	83.6	Confident	72.2	Confident	39 Å²	39	69.5 Å²	69.5	40%	0.402	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-31	175.6	0	0	0	0	0	114.4	Q690 L691 S698	Q690-G694 PolarHBondContact O-N 3.16Å; L691-G694 PolarHBondContact O-N 3.16Å; G694-S698 WeakPolarHBondContact O-CB 2.93Å; G694-S698 PolarHBondContact O-N 2.96Å; G694-S698 VanDerWaalsContact O-N 3.14Å; G694-S698 PolarHBondContact O-OG 3.21Å
695	M	78.3	Confident	69.8	Low	65 Å²	65	73.3 Å²	73.3	32%	0.32	43%	0.431	S	S	.	.	H	α-helix	trans	-73	-36	173.7	-75.8	-172.5	-84.4	0	0	112.6	V668 L691 R692 E693 S698 S699	V668-M695 HydrophobicContact CB-CE 3.74Å; V668-M695 HydrophobicContact CG1-CE 3.65Å; V668-M695 HydrophobicContact CG2-CE 4.38Å; L691-M695 HydrophobicContact CB-CE 4.3Å; L691-M695 WeakPolarHBondContact O-CE 3.26Å; L691-M695 WeakPolarHBondContact O-CG 3.48Å; L691-M695 PolarHBondContact O-N 3.43Å; R692-M695 PolarHBondContact O-N 3.33Å; E693-M695 VanDerWaalsContact C-N 3.3Å; E693-M695 PolarHBondContact O-N 3.12Å; M695-S698 WeakPolarHBondContact CA-OG 3.49Å; M695-S698 PolarHBondContact O-OG 2.91Å; M695-S698 VanDerWaalsContact O-OG 3.1Å; M695-S699 PolarHBondContact O-N 3.38Å; M695-S699 VanDerWaalsContact O-N 3.16Å; M695-S699 PolarHBondContact O-OG 3.15Å
696	A	74.7	Confident	67.1	Low	54 Å²	54	74.7 Å²	74.7	45%	0.446	45%	0.453	S	S	.	.	H	α-helix	trans	-67.4	-40.5	174	0	0	0	0	0	111.9	R692 E693 S699 A700	R692-A696 PolarHBondContact O-N 3.31Å; E693-A696 PolarHBondContact O-N 2.94Å; A696-S699 WeakPolarHBondContact CA-OG 3.44Å; A696-S699 PolarHBondContact O-OG 3.4Å; A696-A700 WeakPolarHBondContact O-CB 3.33Å; A696-A700 PolarHBondContact O-N 2.85Å
697	D	71.8	Confident	64.4	Low	121 Å²	121	77.5 Å²	77.5	65%	0.647	47%	0.473	S	S	*	.	H	α-helix	trans	-69.7	-35	178.6	-74	-17.6	0	0	0	112.8	E693 G701	E693-D697 PolarHBondContact O-N 2.9Å; D697-G701 PolarHBondContact O-N 3.33Å; D697-G701 VanDerWaalsContact O-N 3.14Å
698	S	65.1	Low	61.4	Low	76 Å²	76	83 Å²	83	53%	0.531	50%	0.497	S	S	.	.	H	α-helix	trans	-74.1	-32.7	177.9	51.1	0	0	0	0	113.5	G694 M695 S702	G694-S698 WeakPolarHBondContact O-CB 2.93Å; G694-S698 PolarHBondContact O-N 2.96Å; G694-S698 VanDerWaalsContact O-N 3.14Å; G694-S698 PolarHBondContact O-OG 3.21Å; M695-S698 WeakPolarHBondContact CA-OG 3.49Å; M695-S698 PolarHBondContact O-OG 2.91Å; M695-S698 VanDerWaalsContact O-OG 3.1Å; S698-S702 PolarHBondContact O-N 2.97Å
699	S	58.1	Low	58.4	Low	52 Å²	52	92.1 Å²	92.1	36%	0.364	54%	0.54	S	S	.	.	H	α-helix	trans	-71.9	-39.6	171.9	48.3	0	0	0	0	112.3	M695 A696 G701 S702 E703	M695-S699 PolarHBondContact O-N 3.38Å; M695-S699 VanDerWaalsContact O-N 3.16Å; M695-S699 PolarHBondContact O-OG 3.15Å; A696-S699 WeakPolarHBondContact CA-OG 3.44Å; A696-S699 PolarHBondContact O-OG 3.4Å; S699-G701 PolarHBondContact O-N 3.01Å; S699-S702 PolarHBondContact O-N 3.14Å; S699-S702 PolarHBondContact O-OG 3.34Å; S699-S702 VanDerWaalsContact O-OG 3.05Å; S699-E703 PolarHBondContact O-N 3.43Å
700	A	51.3	Low	55.6	Low	65 Å²	65	99.1 Å²	99.1	54%	0.537	57%	0.569	S	S	.	*	H	α-helix	trans	-64.6	-27.6	173	0	0	0	0	0	113.3	A696	A696-A700 WeakPolarHBondContact O-CB 3.33Å; A696-A700 PolarHBondContact O-N 2.85Å
701	G	43.8	Very low	52.8	Low	45 Å²	45	104.7 Å²	104.7	46%	0.464	59%	0.585	S	S	.	*	H	α-helix	trans	-75	-33.5	174.2	0	0	0	0	0	114.3	D697 S699 S704	D697-G701 PolarHBondContact O-N 3.33Å; D697-G701 VanDerWaalsContact O-N 3.14Å; S699-G701 PolarHBondContact O-N 3.01Å; G701-S704 PolarHBondContact O-OG 2.94Å
702	S	41.9	Very low	49.9	Very low	66 Å²	66	109.3 Å²	109.3	46%	0.462	61%	0.61	S	S	.	*	H	α-helix	trans	-83.1	-23.6	-178.7	64.5	0	0	0	0	113.8	S698 S699 S704 S705	S698-S702 PolarHBondContact O-N 2.97Å; S699-S702 PolarHBondContact O-N 3.14Å; S699-S702 PolarHBondContact O-OG 3.34Å; S699-S702 VanDerWaalsContact O-OG 3.05Å; S702-S704 PolarHBondContact O-N 3.24Å; S702-S705 PolarHBondContact O-N 3.47Å; S702-S705 VanDerWaalsContact O-N 3.15Å
703	E	35.8	Very low	47.6	Very low	149 Å²	149	109.6 Å²	109.6	70%	0.696	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-4.3	173.4	-77.9	-170.7	161.1	0	0	114.5	S699 S705	S699-E703 PolarHBondContact O-N 3.43Å; E703-S705 VanDerWaalsContact C-N 3.3Å
704	S	38.1	Very low	45.3	Very low	109 Å²	109	106.5 Å²	106.5	76%	0.762	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-2.3	171.2	68.1	0	0	0	0	114.5	G701 S702	G701-S704 PolarHBondContact O-OG 2.94Å; S702-S704 PolarHBondContact O-N 3.24Å
705	S	35.3	Very low	43	Very low	82 Å²	82	110.6 Å²	110.6	57%	0.573	63%	0.632	S	S	*	*	S	Bend	trans	-146.5	118	171.3	61.9	0	0	0	0	112.5	S702 E703	S702-S705 PolarHBondContact O-N 3.47Å; S702-S705 VanDerWaalsContact O-N 3.15Å; E703-S705 VanDerWaalsContact C-N 3.3Å
706	S	27.9	Very low	41	Very low	105 Å²	105	109.8 Å²	109.8	73%	0.734	63%	0.628	S	S	*	*			trans	79.5	106.8	175.3	69.8	0	0	0	0	117	Q708	S706-Q708 PolarHBondContact O-N 3.41Å
707	V	31.3	Very low	39.1	Very low	149 Å²	149	114.2 Å²	114.2	90%	0.903	64%	0.64	S	S	*	*			trans	-70.1	104.9	163.7	177.4	0	0	0	0	107.6
708	Q	26.3	Very low	37.4	Very low	167 Å²	167	113.9 Å²	113.9	78%	0.78	64%	0.639	S	S	*	*			trans	-133	125.2	161.2	-114.6	175.9	-19.1	0	0	107.4	S706 F710	S706-Q708 PolarHBondContact O-N 3.41Å; Q708-F710 PolarHBondContact O-N 2.89Å; Q708-F710 VanDerWaalsContact O-N 3.17Å
709	E	26.4	Very low	36	Very low	192 Å²	192	115.9 Å²	115.9	90%	0.897	65%	0.645	S	S	*	*			trans	-49.4	114.9	-178.6	-70	166.4	148.9	0	0	110.8	R711	E709-R711 PolarHBondContact O-N 2.67Å
710	F	27.2	Very low	34.8	Very low	174 Å²	174	119.4 Å²	119.4	76%	0.763	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-64.6	121.2	166.4	-94.2	-93.1	0	0	0	108.3	Q708	Q708-F710 PolarHBondContact O-N 2.89Å; Q708-F710 VanDerWaalsContact O-N 3.17Å
711	R	30.1	Very low	33.8	Very low	240 Å²	240	122.6 Å²	122.6	91%	0.906	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-62.2	144.9	165.1	-78.3	178.6	169.8	-179.1	-5.2	109.5	E709	E709-R711 PolarHBondContact O-N 2.67Å
712	D	28.1	Very low	33.2	Very low	136 Å²	136	127.5 Å²	127.5	73%	0.727	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-46.1	148.6	-179.9	-68.4	-54.5	0	0	0	114
713	P	38.9	Very low	32.6	Very low	104 Å²	104	131.6 Å²	131.6	68%	0.675	70%	0.695	S	S	*	*	S	Bend	trans	-59.2	138.9	166.4	28.2	-32.3	0	0	0	109.2	V715	P713-V715 PolarHBondContact O-N 3.16Å
714	C	36.5	Very low	32.3	Very low	47 Å²	47	130.4 Å²	130.4	32%	0.318	70%	0.695	S	S	.	*			trans	7.5	107.9	174.1	-166.3	0	0	0	0	115.2	E483 L716 Q717	E483-C714 PolarHBondContact OE2-SG 3.41Å; C714-L716 PolarHBondContact O-N 3.47Å; C714-Q717 HydrophobicContact CB-CB 4.49Å; C714-Q717 HydrophobicContact CB-CG 4.04Å; C714-Q717 PolarHBondContact O-N 3.31Å; C714-Q717 VanDerWaalsContact O-N 3.08Å
715	V	36.2	Very low	31.9	Very low	125 Å²	125	132 Å²	132	76%	0.758	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-0.9	-178.6	179.3	0	0	0	0	112.1	P713	P713-V715 PolarHBondContact O-N 3.16Å
716	L	36.7	Very low	31.6	Very low	48 Å²	48	136.2 Å²	136.2	25%	0.251	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.4	20.9	175.3	-63.8	173.6	0	0	0	113.7	L461 K476 E483 C714	L461-L716 HydrophobicContact CD1-CD2 4.4Å; K476-L716 PolarHBondContact NZ-O 3.04Å; E483-L716 HydrophobicContact CG-CD1 4.13Å; E483-L716 WeakPolarHBondContact OE1-CD1 3.44Å; E483-L716 VanDerWaalsContact OE1-CG 3.31Å; E483-L716 WeakPolarHBondContact OE1-CG 3.47Å; C714-L716 PolarHBondContact O-N 3.47Å
717	Q	34	Very low	32	Very low	147 Å²	147	139 Å²	139	69%	0.687	70%	0.697	S	S	*	*			trans	-89.8	0	166.2	-88.6	-174.6	-9.5	0	0	112.2	A450 C714	A450-Q717 WeakPolarHBondContact CB-OXT 3.31Å; C714-Q717 HydrophobicContact CB-CB 4.49Å; C714-Q717 HydrophobicContact CB-CG 4.04Å; C714-Q717 PolarHBondContact O-N 3.31Å; C714-Q717 VanDerWaalsContact O-N 3.08Å

Retrieved 717 of 717 residues in 801.2 ms (Link to these results)

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