A0A087Y4U8_POEFO Loading...

IkappaB kinase

AlphaFold DB , UniProt , Accession A0A087Y4U8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 743 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	33.7	Very low	49.6	Very low	227 Å²	227	136.9 Å²	136.9	100%	1.118	70%	0.703	S	S	*	*				0	127.1	0	-75.1	-180	-178.3	0	0	106.8	R3	M1-R3 PolarHBondContact O-N 3.4Å
2	N	27.6	Very low	52.8	Low	161 Å²	161	126.6 Å²	126.6	86%	0.861	65%	0.652	S	S	*	*			trans	-62	131.7	-179.6	-73.7	-12.5	0	0	0	110.1	V4	N2-V4 PolarHBondContact O-N 3.34Å
3	R	39.3	Very low	55.6	Low	186 Å²	186	122.2 Å²	122.2	70%	0.702	66%	0.657	S	S	*	*			trans	-70.1	109.8	178.3	-62.5	-179.8	-175.7	-169.3	1.3	107.6	M1 P5	M1-R3 PolarHBondContact O-N 3.4Å; R3-P5 WeakPolarHBondContact O-CD 3.45Å
4	V	38.3	Very low	58.2	Low	113 Å²	113	116.9 Å²	116.9	69%	0.685	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-73.7	121.2	170.4	-176.2	0	0	0	0	107.3	N2 L6	N2-V4 PolarHBondContact O-N 3.34Å; V4-L6 PolarHBondContact O-N 3.21Å
5	P	39	Very low	60.6	Low	112 Å²	112	110.8 Å²	110.8	73%	0.727	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-62.5	134.7	172.3	-14.8	28.4	0	0	0	109.3	R3	R3-P5 WeakPolarHBondContact O-CD 3.45Å
6	L	44.8	Very low	62.7	Low	99 Å²	99	105.9 Å²	105.9	52%	0.518	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-68.3	134.4	170.7	-78.4	157.9	0	0	0	108.9	V4 Q8 L17	V4-L6 PolarHBondContact O-N 3.21Å; L6-Q8 PolarHBondContact O-N 3.2Å; L6-L17 HydrophobicContact CD1-CD2 4.13Å
7	Q	46.1	Very low	64.5	Low	193 Å²	193	101 Å²	101	90%	0.902	54%	0.542	S	S	*	.	S	Bend	trans	-73.3	120.1	174.7	-78.1	173.2	-24.8	0	0	109
8	Q	50.6	Low	66.1	Low	174 Å²	174	99.1 Å²	99.1	81%	0.813	53%	0.528	S	S	*	.	S	Bend	trans	79.7	129.6	-177.6	-59.4	-174.8	-3.5	0	0	117.2	L6 Q10	L6-Q8 PolarHBondContact O-N 3.2Å; Q8-Q10 PolarHBondContact O-N 2.69Å; Q8-Q10 VanDerWaalsContact O-N 3.16Å
9	P	59.5	Low	67.3	Low	98 Å²	98	96.3 Å²	96.3	64%	0.636	51%	0.512	S	S	*	.			trans	-71.4	107.3	176.1	28.2	-31.1	0	0	0	109.9
10	Q	79.8	Confident	68.4	Low	70 Å²	70	98 Å²	98	33%	0.327	51%	0.511	S	S	.	.			trans	-76.5	125.6	171.4	-166.3	178	-0.4	0	0	109	Q8 L17 W32 L86	Q8-Q10 PolarHBondContact O-N 2.69Å; Q8-Q10 VanDerWaalsContact O-N 3.16Å; Q10-L17 HydrophobicContact CB-CB 3.95Å; Q10-L17 HydrophobicContact CB-CD2 3.77Å; Q10-L17 VanDerWaalsContact O-CB 3.27Å; Q10-L17 WeakPolarHBondContact O-CB 3.44Å; Q10-L17 PolarHBondContact O-N 2.91Å; Q10-W32 HydrophobicContact CB-CH2 4.35Å; Q10-W32 HydrophobicContact CG-CH2 4.01Å; Q10-L86 HydrophobicContact CG-CD2 4.42Å
11	T	87.2	Confident	69.3	Low	73 Å²	73	96 Å²	96	45%	0.448	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.7	179.5	56.6	0	0	0	0	111.3	W15 E16 L86	T11-W15 CarbonylContact C-O 3.47Å; T11-W15 VanDerWaalsContact CA-O 3.3Å; T11-W15 WeakPolarHBondContact CA-O 3.34Å; T11-E16 HydrophobicContact CG2-CB 4.45Å; T11-E16 HydrophobicContact CG2-CG 4.41Å; T11-L86 WeakPolarHBondContact O-CD2 3.32Å
12	C	88.3	Confident	71.5	Confident	13 Å²	13	86.5 Å²	86.5	9%	0.088	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	93.5	174.4	-166.6	0	0	0	0	108.8	W15 W32 M83 L86	C12-W15 PolarHBondContact N-O 3.08Å; C12-W15 WeakPolarHBondContact O-CB 3.49Å; C12-W15 PolarHBondContact O-N 3.18Å; C12-W15 VanDerWaalsContact O-N 3.12Å; C12-W32 HydrophobicContact CB-CZ3 4.17Å; C12-M83 HydrophobicContact CB-CE 4.36Å; C12-M83 HydrophobicContact CB-CG 3.9Å; C12-M83 PolarHBondContact SG-N 3.09Å; C12-M83 VanDerWaalsContact SG-N 3.41Å; C12-L86 HydrophobicContact CB-CD2 3.67Å
13	G	89.3	Confident	73.6	Confident	70 Å²	70	83.3 Å²	83.3	72%	0.722	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-128.8	-167.7	0	0	0	0	0	110.8	W15	G13-W15 PolarHBondContact O-N 3.45Å
14	P	91.8	Very high	74.8	Confident	47 Å²	47	76 Å²	76	31%	0.305	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.2	179	34.4	-37.1	0	0	0	113.7	K35 D36	P14-K35 PolarHBondContact O-N 3.45Å; P14-D36 WeakPolarHBondContact CB-OD2 3.37Å
15	W	94.1	Very high	75.8	Confident	26 Å²	26	72.9 Å²	72.9	10%	0.098	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.8	-179.6	-65.7	90.2	0	0	0	111.8	T11 C12 G13 W32 Q33 N34 E39 I41 P80 M83	T11-W15 CarbonylContact C-O 3.47Å; T11-W15 VanDerWaalsContact CA-O 3.3Å; T11-W15 WeakPolarHBondContact CA-O 3.34Å; C12-W15 PolarHBondContact N-O 3.08Å; C12-W15 WeakPolarHBondContact O-CB 3.49Å; C12-W15 PolarHBondContact O-N 3.18Å; C12-W15 VanDerWaalsContact O-N 3.12Å; G13-W15 PolarHBondContact O-N 3.45Å; W15-W32 HydrophobicContact CB-CE3 3.96Å; W15-W32 HydrophobicContact CE3-CB 3.99Å; W15-Q33 WeakPolarHBondContact CA-O 3.48Å; W15-N34 HydrophobicContact CD2-CB 3.96Å; W15-N34 HydrophobicContact CE3-CB 3.92Å; W15-N34 HydrophobicContact CH2-CB 3.94Å; W15-N34 HydrophobicContact CZ2-CB 3.99Å; W15-N34 HydrophobicContact CZ3-CB 3.9Å; W15-E39 HydrophobicContact CH2-CB 4.14Å; W15-E39 HydrophobicContact CH2-CG 3.99Å; W15-E39 WeakPolarHBondContact CZ3-O 3.43Å; W15-I41 HydrophobicContact CE3-CD1 4.07Å; W15-I41 HydrophobicContact CE3-CG1 4.1Å; W15-I41 HydrophobicContact CH2-CD1 4.12Å; W15-I41 HydrophobicContact CH2-CG1 4.2Å; W15-I41 HydrophobicContact CH2-CG2 3.7Å; W15-I41 HydrophobicContact CZ3-CB 4.27Å; W15-I41 HydrophobicContact CZ3-CD1 3.84Å; W15-I41 HydrophobicContact CZ3-CG1 3.64Å; W15-I41 HydrophobicContact CZ3-CG2 3.89Å; W15-P80 HydrophobicContact CD2-CG 4.1Å; W15-P80 HydrophobicContact CG-CB 4.39Å; W15-P80 HydrophobicContact CG-CG 4.4Å; W15-P80 HydrophobicContact CZ2-CG 3.92Å; W15-M83 HydrophobicContact CB-CE 3.28Å; W15-M83 HydrophobicContact CD2-CE 3.9Å; W15-M83 HydrophobicContact CE3-CE 4.3Å; W15-M83 HydrophobicContact CG-CE 3.45Å; W15-M83 VanDerWaalsContact CG-CE 3.45Å
16	E	93.9	Very high	77	Confident	33 Å²	33	68.1 Å²	68.1	15%	0.154	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.1	176.8	-179.8	174	-121.4	0	0	111	T11 K18 W32 Q33 K35	T11-E16 HydrophobicContact CG2-CB 4.45Å; T11-E16 HydrophobicContact CG2-CG 4.41Å; E16-K18 WeakPolarHBondContact OE2-CE 3.12Å; E16-K18 IonicContact OE2-NZ 2.91Å; E16-K18 PolarHBondContact OE2-NZ 3.09Å; E16-W32 WeakPolarHBondContact O-CA 3.31Å; E16-Q33 PolarHBondContact N-O 3.29Å; E16-Q33 PolarHBondContact O-N 2.8Å; E16-K35 VanDerWaalsContact OE1-CE 3.27Å; E16-K35 WeakPolarHBondContact OE1-CE 3.48Å; E16-K35 IonicContact OE1-NZ 3.1Å; E16-K35 PolarHBondContact OE1-NZ 3.4Å; E16-K35 WeakPolarHBondContact OE2-CE 3.41Å; E16-K35 IonicContact OE2-NZ 3.41Å; E16-K35 PolarHBondContact OE2-NZ 2.94Å
17	L	92.9	Very high	78.4	Confident	22 Å²	22	63.5 Å²	63.5	12%	0.115	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.8	171.2	177.1	64.1	0	0	0	109.7	L6 Q10 T30 W32	L6-L17 HydrophobicContact CD1-CD2 4.13Å; Q10-L17 HydrophobicContact CB-CB 3.95Å; Q10-L17 HydrophobicContact CB-CD2 3.77Å; Q10-L17 VanDerWaalsContact O-CB 3.27Å; Q10-L17 WeakPolarHBondContact O-CB 3.44Å; Q10-L17 PolarHBondContact O-N 2.91Å; L17-T30 HydrophobicContact CD1-CG2 3.95Å; L17-W32 HydrophobicContact CB-CD2 4.23Å; L17-W32 HydrophobicContact CB-CE3 4.15Å; L17-W32 HydrophobicContact CB-CH2 3.93Å; L17-W32 HydrophobicContact CB-CZ2 3.95Å; L17-W32 HydrophobicContact CB-CZ3 4.02Å; L17-W32 HydrophobicContact CD1-CD2 4.32Å; L17-W32 HydrophobicContact CD1-CZ2 3.97Å; L17-W32 HydrophobicContact CG-CZ2 4.39Å
18	K	93.2	Very high	80.2	Confident	66 Å²	66	57.1 Å²	57.1	29%	0.287	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-126.5	176.6	-56.9	-70.2	-178.2	178.1	0	109.1	E16 R31 Q33	E16-K18 WeakPolarHBondContact OE2-CE 3.12Å; E16-K18 IonicContact OE2-NZ 2.91Å; E16-K18 PolarHBondContact OE2-NZ 3.09Å; K18-R31 HydrophobicContact CB-CB 4.27Å; K18-R31 HydrophobicContact CB-CG 4.46Å; K18-R31 VanDerWaalsContact CB-NH2 3.27Å; K18-R31 VanDerWaalsContact CG-NH2 3.33Å; K18-R31 PolarHBondContact N-O 2.78Å; K18-Q33 VanDerWaalsContact CE-OE1 3.26Å; K18-Q33 HydrophobicContact CG-CB 4.15Å
19	E	89.1	Confident	82.1	Confident	46 Å²	46	50.3 Å²	50.3	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	158.6	179.4	72.5	-80.2	-169.7	0	0	113.5	L21 R31	E19-L21 HydrophobicContact CG-CD2 4.33Å; E19-R31 PolarHBondContact O-N 3.31Å; E19-R31 IonicContact OE1-CZ 3.71Å; E19-R31 IonicContact OE1-NE 3.86Å; E19-R31 PolarHBondContact OE1-NE 3.41Å; E19-R31 IonicContact OE1-NH2 3.71Å; E19-R31 IonicContact OE2-CZ 2.73Å; E19-R31 IonicContact OE2-NE 3.37Å; E19-R31 PolarHBondContact OE2-NE 3.09Å; E19-R31 IonicContact OE2-NH2 3.76Å; E19-R31 PolarHBondContact OE2-NH2 2.81Å
20	R	90	Very high	83.7	Confident	130 Å²	130	46.4 Å²	46.4	49%	0.491	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.8	167.1	179.3	171	54.3	-175.6	-11.4	110
21	L	87.3	Confident	84.4	Confident	56 Å²	56	44.5 Å²	44.5	29%	0.293	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-37.1	-178	-61.9	-179.9	0	0	0	112.4	E19 V29 R31 A42 Y99	E19-L21 HydrophobicContact CG-CD2 4.33Å; L21-V29 HydrophobicContact CB-CB 4.28Å; L21-V29 HydrophobicContact CB-CG1 4.1Å; L21-V29 HydrophobicContact CD1-CG1 4.11Å; L21-V29 PolarHBondContact N-O 2.92Å; L21-R31 HydrophobicContact CD1-CB 4.05Å; L21-R31 HydrophobicContact CD2-CB 3.98Å; L21-R31 HydrophobicContact CG-CB 4Å; L21-A42 HydrophobicContact CD1-CB 3.86Å; L21-Y99 HydrophobicContact CD1-CD2 3.69Å; L21-Y99 HydrophobicContact CD1-CE2 3.75Å; L21-Y99 HydrophobicContact CD2-CD2 4.47Å; L21-Y99 HydrophobicContact CD2-CE2 3.69Å; L21-Y99 HydrophobicContact CG-CE2 4.38Å
22	G	78.9	Confident	84.8	Confident	29 Å²	29	41.1 Å²	41.1	30%	0.299	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	167	-179.1	0	0	0	0	0	113.4	V29	G22-V29 PolarHBondContact N-O 3.45Å; G22-V29 PolarHBondContact O-N 3.17Å
23	T	71.9	Confident	85.1	Confident	93 Å²	93	42.4 Å²	42.4	57%	0.571	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	118.8	174.5	36.3	0	0	0	0	108.6
24	G	64.3	Low	85.4	Confident	33 Å²	33	39.8 Å²	39.8	34%	0.34	23%	0.225	S	C	.	.			trans	-115.9	-172.9	-179.5	0	0	0	0	0	113.2	F26 G27 R47	G24-F26 VanDerWaalsContact C-N 3.35Å; G24-G27 PolarHBondContact N-O 3.19Å; G24-R47 PolarHBondContact O-NH2 3.48Å
25	G	60.8	Low	85.6	Confident	47 Å²	47	43.2 Å²	43.2	49%	0.485	24%	0.235	S	C	.	.	S	Bend	trans	-64.1	-37.4	178.1	0	0	0	0	0	113.2	R47	G25-R47 PolarHBondContact O-NE 3.38Å
26	F	63.3	Low	85.6	Confident	12 Å²	12	48.2 Å²	48.2	5%	0.053	26%	0.264	C	S	.	.	S	Bend	trans	-89	-17.2	-178.8	-63.9	-75.3	0	0	0	114.1	G24 C46 R47 N54 R57 W58 Y170	G24-F26 VanDerWaalsContact C-N 3.35Å; F26-C46 CarbonylContact O-C 3.59Å; F26-C46 VanDerWaalsContact O-CA 3.28Å; F26-C46 WeakPolarHBondContact O-CA 3.39Å; F26-R47 PolarHBondContact O-N 3.32Å; F26-N54 HydrophobicContact CE1-CB 4.16Å; F26-R57 HydrophobicContact CE1-CB 4.32Å; F26-R57 HydrophobicContact CZ-CB 4.42Å; F26-W58 HydrophobicContact CB-CE3 4.15Å; F26-W58 HydrophobicContact CB-CZ3 4.33Å; F26-Y170 HydrophobicContact CE2-CD1 4.43Å; F26-Y170 AromaticContact CE2-CE1 4Å; F26-Y170 HydrophobicContact CE2-CE1 4Å; F26-Y170 HydrophobicContact CZ-CE1 4.34Å
27	G	73.9	Confident	85.6	Confident	2 Å²	2	50.8 Å²	50.8	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.9	-150.5	175.2	0	0	0	0	0	114.7	G24 Q45	G24-G27 PolarHBondContact N-O 3.19Å; G27-Q45 CarbonylContact C-O 3.56Å; G27-Q45 VanDerWaalsContact CA-O 3.23Å; G27-Q45 WeakPolarHBondContact CA-O 3.43Å
28	N	84.1	Confident	85.6	Confident	60 Å²	60	56.7 Å²	56.7	32%	0.321	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143	-164.9	-39	-30.1	0	0	0	109.7	K44 Q45	N28-K44 WeakPolarHBondContact O-CA 3.37Å; N28-Q45 PolarHBondContact N-O 3.11Å; N28-Q45 PolarHBondContact O-N 3.07Å
29	V	90.1	Very high	85.7	Confident	30 Å²	30	57.6 Å²	57.6	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.9	169.7	-171.9	0	0	0	0	108.9	L21 G22 A42 L43 K44	L21-V29 HydrophobicContact CB-CB 4.28Å; L21-V29 HydrophobicContact CB-CG1 4.1Å; L21-V29 HydrophobicContact CD1-CG1 4.11Å; L21-V29 PolarHBondContact N-O 2.92Å; G22-V29 PolarHBondContact N-O 3.45Å; G22-V29 PolarHBondContact O-N 3.17Å; V29-A42 HydrophobicContact CG1-CB 4.1Å; V29-L43 WeakPolarHBondContact CA-O 3.32Å; V29-K44 HydrophobicContact CG2-CB 4.08Å; V29-K44 HydrophobicContact CG2-CD 4.49Å; V29-K44 HydrophobicContact CG2-CG 3.83Å
30	T	92.7	Very high	86	Confident	16 Å²	16	57.9 Å²	57.9	10%	0.098	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.7	-178.8	52.8	0	0	0	0	111.4	L17 W32 A42 L43	L17-T30 HydrophobicContact CD1-CG2 3.95Å; T30-W32 PolarHBondContact OG1-NE1 3.07Å; T30-A42 WeakPolarHBondContact O-CA 3.49Å; T30-L43 PolarHBondContact N-O 3.13Å; T30-L43 PolarHBondContact O-N 3.26Å; T30-L43 PolarHBondContact OG1-O 3.17Å
31	R	95.3	Very high	86.3	Confident	31 Å²	31	51.8 Å²	51.8	12%	0.117	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.2	172.4	-172	174.1	73.2	92.9	1.5	109.5	K18 E19 L21 Y99	K18-R31 HydrophobicContact CB-CB 4.27Å; K18-R31 HydrophobicContact CB-CG 4.46Å; K18-R31 VanDerWaalsContact CB-NH2 3.27Å; K18-R31 VanDerWaalsContact CG-NH2 3.33Å; K18-R31 PolarHBondContact N-O 2.78Å; E19-R31 PolarHBondContact O-N 3.31Å; E19-R31 IonicContact OE1-CZ 3.71Å; E19-R31 IonicContact OE1-NE 3.86Å; E19-R31 PolarHBondContact OE1-NE 3.41Å; E19-R31 IonicContact OE1-NH2 3.71Å; E19-R31 IonicContact OE2-CZ 2.73Å; E19-R31 IonicContact OE2-NE 3.37Å; E19-R31 PolarHBondContact OE2-NE 3.09Å; E19-R31 IonicContact OE2-NH2 3.76Å; E19-R31 PolarHBondContact OE2-NH2 2.81Å; L21-R31 HydrophobicContact CD1-CB 4.05Å; L21-R31 HydrophobicContact CD2-CB 3.98Å; L21-R31 HydrophobicContact CG-CB 4Å; R31-Y99 HydrophobicContact CG-CD2 4.08Å; R31-Y99 HydrophobicContact CG-CE2 4.13Å; R31-Y99 HydrophobicContact CG-CG 4.27Å
32	W	95.3	Very high	86.6	Confident	1 Å²	1	49.5 Å²	49.5	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143	171.8	-68.6	75	0	0	0	109.4	Q10 C12 W15 E16 L17 T30 Q40 I41 M83 V87	Q10-W32 HydrophobicContact CB-CH2 4.35Å; Q10-W32 HydrophobicContact CG-CH2 4.01Å; C12-W32 HydrophobicContact CB-CZ3 4.17Å; W15-W32 HydrophobicContact CB-CE3 3.96Å; W15-W32 HydrophobicContact CE3-CB 3.99Å; E16-W32 WeakPolarHBondContact O-CA 3.31Å; L17-W32 HydrophobicContact CB-CD2 4.23Å; L17-W32 HydrophobicContact CB-CE3 4.15Å; L17-W32 HydrophobicContact CB-CH2 3.93Å; L17-W32 HydrophobicContact CB-CZ2 3.95Å; L17-W32 HydrophobicContact CB-CZ3 4.02Å; L17-W32 HydrophobicContact CD1-CD2 4.32Å; L17-W32 HydrophobicContact CD1-CZ2 3.97Å; L17-W32 HydrophobicContact CG-CZ2 4.39Å; T30-W32 PolarHBondContact OG1-NE1 3.07Å; W32-Q40 WeakPolarHBondContact O-CA 3.32Å; W32-I41 HydrophobicContact CB-CD1 4.28Å; W32-I41 HydrophobicContact CB-CG1 3.75Å; W32-I41 PolarHBondContact N-O 3.46Å; W32-I41 PolarHBondContact O-N 2.72Å; W32-M83 HydrophobicContact CB-CE 4.21Å; W32-M83 HydrophobicContact CD2-CE 3.63Å; W32-M83 HydrophobicContact CD2-SD 4.46Å; W32-M83 HydrophobicContact CE3-CE 3.42Å; W32-M83 VanDerWaalsContact CE3-CE 3.42Å; W32-M83 HydrophobicContact CG-CE 4.01Å; W32-M83 HydrophobicContact CZ3-CE 3.96Å; W32-V87 HydrophobicContact CH2-CG2 3.74Å; W32-V87 HydrophobicContact CZ2-CG1 4.35Å; W32-V87 HydrophobicContact CZ2-CG2 3.51Å
33	Q	95.8	Very high	87.3	Confident	40 Å²	40	48.1 Å²	48.1	19%	0.187	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.4	178.5	-178.2	172	10.4	0	0	109.9	W15 E16 K18 E39 Q40	W15-Q33 WeakPolarHBondContact CA-O 3.48Å; E16-Q33 PolarHBondContact N-O 3.29Å; E16-Q33 PolarHBondContact O-N 2.8Å; K18-Q33 VanDerWaalsContact CE-OE1 3.26Å; K18-Q33 HydrophobicContact CG-CB 4.15Å; Q33-E39 CarbonylContact C-O 3.58Å; Q33-E39 WeakPolarHBondContact CA-O 3.37Å; Q33-Q40 HydrophobicContact CB-CG 4.32Å; Q33-Q40 HydrophobicContact CG-CG 4.06Å
34	N	95.5	Very high	88.2	Confident	15 Å²	15	44.3 Å²	44.3	8%	0.08	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.4	171.4	-172	-39.7	0	0	0	109	W15 D36 T37 E38 E39	W15-N34 HydrophobicContact CD2-CB 3.96Å; W15-N34 HydrophobicContact CE3-CB 3.92Å; W15-N34 HydrophobicContact CH2-CB 3.94Å; W15-N34 HydrophobicContact CZ2-CB 3.99Å; W15-N34 HydrophobicContact CZ3-CB 3.9Å; N34-D36 VanDerWaalsContact C-N 3.3Å; N34-D36 PolarHBondContact O-N 3.21Å; N34-D36 WeakPolarHBondContact OD1-CB 3.21Å; N34-D36 PolarHBondContact OD1-N 2.97Å; N34-T37 WeakPolarHBondContact CB-OG1 3.47Å; N34-T37 VanDerWaalsContact CG-OG1 3.24Å; N34-T37 PolarHBondContact OD1-N 2.99Å; N34-E38 WeakPolarHBondContact O-CA 3.34Å; N34-E38 PolarHBondContact O-N 3.39Å; N34-E39 HydrophobicContact CB-CB 4.24Å; N34-E39 PolarHBondContact N-O 2.89Å
35	K	94.2	Very high	89.3	Confident	120 Å²	120	43.7 Å²	43.7	52%	0.522	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-24	-178.8	-71.7	-174.8	173	176.2	0	113.6	P14 E16	P14-K35 PolarHBondContact O-N 3.45Å; E16-K35 VanDerWaalsContact OE1-CE 3.27Å; E16-K35 WeakPolarHBondContact OE1-CE 3.48Å; E16-K35 IonicContact OE1-NZ 3.1Å; E16-K35 PolarHBondContact OE1-NZ 3.4Å; E16-K35 WeakPolarHBondContact OE2-CE 3.41Å; E16-K35 IonicContact OE2-NZ 3.41Å; E16-K35 PolarHBondContact OE2-NZ 2.94Å
36	D	94.6	Very high	90.3	Very high	131 Å²	131	41.6 Å²	41.6	70%	0.701	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-36.8	-174.7	-55.8	-24.5	0	0	0	111.4	P14 N34	P14-D36 WeakPolarHBondContact CB-OD2 3.37Å; N34-D36 VanDerWaalsContact C-N 3.3Å; N34-D36 PolarHBondContact O-N 3.21Å; N34-D36 WeakPolarHBondContact OD1-CB 3.21Å; N34-D36 PolarHBondContact OD1-N 2.97Å
37	T	95.1	Very high	90.7	Very high	87 Å²	87	47.3 Å²	47.3	53%	0.534	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-6.1	-175.8	64.9	0	0	0	0	114.2	N34 E39	N34-T37 WeakPolarHBondContact CB-OG1 3.47Å; N34-T37 VanDerWaalsContact CG-OG1 3.24Å; N34-T37 PolarHBondContact OD1-N 2.99Å; T37-E39 PolarHBondContact O-N 3.33Å; T37-E39 VanDerWaalsContact OG1-CB 3.23Å; T37-E39 WeakPolarHBondContact OG1-CB 3.11Å; T37-E39 PolarHBondContact OG1-N 3.32Å
38	E	93	Very high	90.3	Very high	146 Å²	146	54.1 Å²	54.1	68%	0.682	26%	0.262	S	S	*	.			trans	58.3	4.9	-168.5	-55.7	-170.1	162.4	0	0	115.4	N34 Q40	N34-E38 WeakPolarHBondContact O-CA 3.34Å; N34-E38 PolarHBondContact O-N 3.39Å; E38-Q40 WeakPolarHBondContact O-CG 3.19Å
39	E	94.2	Very high	89.7	Confident	84 Å²	84	59.9 Å²	59.9	39%	0.393	29%	0.287	S	S	.	.			trans	-59.2	139.7	179.4	-173	-177.3	-178.8	0	0	111	W15 Q33 N34 T37	W15-E39 HydrophobicContact CH2-CB 4.14Å; W15-E39 HydrophobicContact CH2-CG 3.99Å; W15-E39 WeakPolarHBondContact CZ3-O 3.43Å; Q33-E39 CarbonylContact C-O 3.58Å; Q33-E39 WeakPolarHBondContact CA-O 3.37Å; N34-E39 HydrophobicContact CB-CB 4.24Å; N34-E39 PolarHBondContact N-O 2.89Å; T37-E39 PolarHBondContact O-N 3.33Å; T37-E39 VanDerWaalsContact OG1-CB 3.23Å; T37-E39 WeakPolarHBondContact OG1-CB 3.11Å; T37-E39 PolarHBondContact OG1-N 3.32Å
40	Q	95.4	Very high	88.9	Confident	52 Å²	52	59.8 Å²	59.8	24%	0.243	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.8	-178.6	-55.6	-172.3	27.5	0	0	111.2	W32 Q33 E38 Y99	W32-Q40 WeakPolarHBondContact O-CA 3.32Å; Q33-Q40 HydrophobicContact CB-CG 4.32Å; Q33-Q40 HydrophobicContact CG-CG 4.06Å; E38-Q40 WeakPolarHBondContact O-CG 3.19Å; Q40-Y99 HydrophobicContact CB-CD1 3.71Å; Q40-Y99 HydrophobicContact CB-CG 4.1Å; Q40-Y99 HydrophobicContact CG-CD1 4.43Å; Q40-Y99 WeakPolarHBondContact O-CB 3.45Å
41	I	95.8	Very high	88.2	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.6	176.4	66.2	177.1	0	0	0	111.2	W15 W32 P80 M83 M97	W15-I41 HydrophobicContact CE3-CD1 4.07Å; W15-I41 HydrophobicContact CE3-CG1 4.1Å; W15-I41 HydrophobicContact CH2-CD1 4.12Å; W15-I41 HydrophobicContact CH2-CG1 4.2Å; W15-I41 HydrophobicContact CH2-CG2 3.7Å; W15-I41 HydrophobicContact CZ3-CB 4.27Å; W15-I41 HydrophobicContact CZ3-CD1 3.84Å; W15-I41 HydrophobicContact CZ3-CG1 3.64Å; W15-I41 HydrophobicContact CZ3-CG2 3.89Å; W32-I41 HydrophobicContact CB-CD1 4.28Å; W32-I41 HydrophobicContact CB-CG1 3.75Å; W32-I41 PolarHBondContact N-O 3.46Å; W32-I41 PolarHBondContact O-N 2.72Å; I41-P80 HydrophobicContact CD1-CG 3.7Å; I41-M83 HydrophobicContact CD1-CE 4.32Å; I41-M83 HydrophobicContact CD1-SD 4.28Å; I41-M97 WeakPolarHBondContact CA-O 3.36Å
42	A	95.5	Very high	87.5	Confident	8 Å²	8	66.2 Å²	66.2	7%	0.066	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.3	166.8	0	0	0	0	0	108.9	L21 V29 T30 M97	L21-A42 HydrophobicContact CD1-CB 3.86Å; V29-A42 HydrophobicContact CG1-CB 4.1Å; T30-A42 WeakPolarHBondContact O-CA 3.49Å; A42-M97 HydrophobicContact CB-CB 4.4Å; A42-M97 HydrophobicContact CB-CE 4.33Å; A42-M97 PolarHBondContact N-O 2.95Å; A42-M97 PolarHBondContact O-N 3.4Å
43	L	93.1	Very high	86.6	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.1	-178.8	-167.1	69	0	0	0	109.5	V29 T30 M83 V87 L94 A96	V29-L43 WeakPolarHBondContact CA-O 3.32Å; T30-L43 PolarHBondContact N-O 3.13Å; T30-L43 PolarHBondContact O-N 3.26Å; T30-L43 PolarHBondContact OG1-O 3.17Å; L43-M83 HydrophobicContact CD2-SD 3.83Å; L43-V87 HydrophobicContact CD2-CB 4.38Å; L43-V87 HydrophobicContact CD2-CG1 4Å; L43-V87 HydrophobicContact CD2-CG2 4.37Å; L43-L94 HydrophobicContact CD1-CB 3.97Å; L43-L94 HydrophobicContact CD1-CD1 4.29Å; L43-L94 HydrophobicContact CD2-CD1 4.17Å; L43-A96 HydrophobicContact CD1-CB 3.93Å
44	K	90.7	Very high	85.8	Confident	13 Å²	13	73.7 Å²	73.7	6%	0.057	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125	174.2	-167.8	-174.8	-166.8	-171.4	0	108.7	N28 V29 W58 E61 L95 M97 D167	N28-K44 WeakPolarHBondContact O-CA 3.37Å; V29-K44 HydrophobicContact CG2-CB 4.08Å; V29-K44 HydrophobicContact CG2-CD 4.49Å; V29-K44 HydrophobicContact CG2-CG 3.83Å; K44-W58 HydrophobicContact CB-CH2 4.09Å; K44-W58 HydrophobicContact CD-CH2 3.87Å; K44-W58 HydrophobicContact CD-CZ3 3.69Å; K44-W58 HydrophobicContact CG-CH2 3.66Å; K44-W58 HydrophobicContact CG-CZ3 3.88Å; K44-E61 IonicContact NZ-OE1 3.8Å; K44-E61 PolarHBondContact NZ-OE1 2.94Å; K44-E61 IonicContact NZ-OE2 2.73Å; K44-E61 PolarHBondContact NZ-OE2 3.49Å; K44-L95 HydrophobicContact CB-CB 4.22Å; K44-L95 HydrophobicContact CD-CD2 4.33Å; K44-L95 PolarHBondContact N-O 2.93Å; K44-L95 PolarHBondContact O-N 3.42Å; K44-L95 VanDerWaalsContact O-N 3.12Å; K44-M97 HydrophobicContact CB-CE 3.85Å; K44-D167 IonicContact NZ-OD1 3.54Å; K44-D167 PolarHBondContact NZ-OD1 3.4Å
45	Q	87.4	Confident	85.1	Confident	20 Å²	20	76.4 Å²	76.4	9%	0.093	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.1	179.5	173.7	-178.2	17.2	0	0	110.1	G27 N28 V87 T89 L94	G27-Q45 CarbonylContact C-O 3.56Å; G27-Q45 VanDerWaalsContact CA-O 3.23Å; G27-Q45 WeakPolarHBondContact CA-O 3.43Å; N28-Q45 PolarHBondContact N-O 3.11Å; N28-Q45 PolarHBondContact O-N 3.07Å; Q45-V87 PolarHBondContact NE2-O 3.15Å; Q45-T89 PolarHBondContact NE2-OG1 3.3Å; Q45-L94 HydrophobicContact CB-CD2 3.9Å; Q45-L94 HydrophobicContact CG-CD2 4.03Å
46	C	80.6	Confident	84.5	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.027	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	149.6	175.6	-173.6	0	0	0	0	113.5	F26 L50 W58 T89 L92	F26-C46 CarbonylContact O-C 3.59Å; F26-C46 VanDerWaalsContact O-CA 3.28Å; F26-C46 WeakPolarHBondContact O-CA 3.39Å; C46-L50 WeakPolarHBondContact SG-CD1 3.36Å; C46-L50 WeakPolarHBondContact SG-CG 3.36Å; C46-W58 HydrophobicContact CB-CD2 4.15Å; C46-W58 HydrophobicContact CB-CZ2 4.18Å; C46-T89 PolarHBondContact O-OG1 3.18Å; C46-L92 HydrophobicContact CB-CD1 4.06Å; C46-L92 VanDerWaalsContact SG-CD1 3.54Å
47	R	72.6	Confident	83.8	Confident	132 Å²	132	73.7 Å²	73.7	50%	0.498	35%	0.345	S	S	.	.			trans	-63.1	154.2	168.8	-63.2	-173.4	-176.7	-164.6	2.1	111.4	G24 G25 F26 E49 N90	G24-R47 PolarHBondContact O-NH2 3.48Å; G25-R47 PolarHBondContact O-NE 3.38Å; F26-R47 PolarHBondContact O-N 3.32Å; R47-E49 PolarHBondContact O-N 3.33Å; R47-N90 PolarHBondContact O-ND2 2.85Å
48	Q	65.8	Low	83.3	Confident	145 Å²	145	69.5 Å²	69.5	68%	0.678	32%	0.32	S	S	*	.	S	Bend	trans	-55.2	-45.8	-177.8	-95.1	177.2	-33.1	0	0	113.1	T89 N90	Q48-T89 HydrophobicContact CG-CG2 4.17Å; Q48-N90 PolarHBondContact O-ND2 3.42Å
49	E	71.6	Confident	83	Confident	181 Å²	181	65.3 Å²	65.3	85%	0.846	31%	0.306	S	S	*	.			trans	-114.9	113.6	-177.2	-65.1	179.4	-172.8	0	0	111.4	R47	R47-E49 PolarHBondContact O-N 3.33Å
50	L	72	Confident	82.5	Confident	28 Å²	28	64.1 Å²	64.1	15%	0.147	30%	0.302	C	S	.	.			trans	-119.4	144	170	-73.6	-168.4	0	0	0	110.5	C46 N54 K55 L92	C46-L50 WeakPolarHBondContact SG-CD1 3.36Å; C46-L50 WeakPolarHBondContact SG-CG 3.36Å; L50-N54 HydrophobicContact CB-CB 4.06Å; L50-N54 HydrophobicContact CD1-CB 3.99Å; L50-N54 HydrophobicContact CD2-CB 4Å; L50-N54 HydrophobicContact CG-CB 4.27Å; L50-K55 HydrophobicContact CB-CG 3.93Å; L50-L92 HydrophobicContact CD1-CD1 4.02Å
51	S	79.3	Confident	82.1	Confident	66 Å²	66	61.8 Å²	61.8	46%	0.462	29%	0.291	S	S	.	.			trans	-63.2	155.3	163.7	64.2	0	0	0	0	110.8	R53 N54 K55	S51-R53 VanDerWaalsContact C-N 3.27Å; S51-R53 PolarHBondContact O-N 3.03Å; S51-N54 WeakPolarHBondContact O-CA 3.44Å; S51-N54 WeakPolarHBondContact O-CB 3.43Å; S51-N54 PolarHBondContact O-N 3.28Å; S51-N54 PolarHBondContact OG-ND2 3.35Å; S51-K55 PolarHBondContact O-N 3.41Å
52	E	80.6	Confident	81.8	Confident	115 Å²	115	62 Å²	62	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-55.4	-43.4	-177.4	-157.4	55.5	-142.9	0	0	112.5	N54 K55 E56	E52-N54 PolarHBondContact O-N 3.2Å; E52-K55 WeakPolarHBondContact O-CB 3.29Å; E52-K55 PolarHBondContact O-N 3.35Å; E52-K55 IonicContact OE2-NZ 2.89Å; E52-K55 PolarHBondContact OE2-NZ 3.43Å; E52-E56 PolarHBondContact O-N 3.16Å
53	R	76.6	Confident	81.5	Confident	157 Å²	157	67.2 Å²	67.2	59%	0.592	32%	0.315	S	S	*	.	H	α-helix	trans	-57.1	-34.4	173.4	-172.5	-178.9	-175.5	-175	4.5	113.6	S51 R57	S51-R53 VanDerWaalsContact C-N 3.27Å; S51-R53 PolarHBondContact O-N 3.03Å; R53-R57 WeakPolarHBondContact O-CD 3.49Å; R53-R57 VanDerWaalsContact O-CG 3.25Å; R53-R57 WeakPolarHBondContact O-CG 3.38Å; R53-R57 PolarHBondContact O-N 3.1Å
54	N	77.5	Confident	81.3	Confident	42 Å²	42	67.3 Å²	67.3	23%	0.225	32%	0.315	C	S	.	.	H	α-helix	trans	-80.2	-29.2	178.1	-73.8	-19.9	0	0	0	112	F26 L50 S51 E52 R57 W58	F26-N54 HydrophobicContact CE1-CB 4.16Å; L50-N54 HydrophobicContact CB-CB 4.06Å; L50-N54 HydrophobicContact CD1-CB 3.99Å; L50-N54 HydrophobicContact CD2-CB 4Å; L50-N54 HydrophobicContact CG-CB 4.27Å; S51-N54 WeakPolarHBondContact O-CA 3.44Å; S51-N54 WeakPolarHBondContact O-CB 3.43Å; S51-N54 PolarHBondContact O-N 3.28Å; S51-N54 PolarHBondContact OG-ND2 3.35Å; E52-N54 PolarHBondContact O-N 3.2Å; N54-R57 PolarHBondContact O-N 3.44Å; N54-R57 PolarHBondContact OD1-NH1 3.42Å; N54-W58 WeakPolarHBondContact O-CB 3.32Å; N54-W58 PolarHBondContact O-N 3.23Å
55	K	82	Confident	81.3	Confident	71 Å²	71	66.8 Å²	66.8	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-45.5	170.3	-60.8	-176.8	-168.4	157.3	0	111.1	L50 S51 E52 R57 W58 C59 L92	L50-K55 HydrophobicContact CB-CG 3.93Å; S51-K55 PolarHBondContact O-N 3.41Å; E52-K55 WeakPolarHBondContact O-CB 3.29Å; E52-K55 PolarHBondContact O-N 3.35Å; E52-K55 IonicContact OE2-NZ 2.89Å; E52-K55 PolarHBondContact OE2-NZ 3.43Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 3.07Å; K55-W58 WeakPolarHBondContact O-CB 3.36Å; K55-W58 PolarHBondContact O-N 3.02Å; K55-W58 VanDerWaalsContact O-N 3.13Å; K55-C59 PolarHBondContact O-N 2.99Å; K55-C59 PolarHBondContact O-SG 2.94Å; K55-L92 HydrophobicContact CB-CD2 4.13Å; K55-L92 HydrophobicContact CD-CD2 4.37Å; K55-L92 HydrophobicContact CG-CD1 4.19Å; K55-L92 HydrophobicContact CG-CD2 4.2Å
56	E	81.9	Confident	81.5	Confident	130 Å²	130	73.9 Å²	73.9	61%	0.607	34%	0.339	S	S	*	.	H	α-helix	trans	-57	-45	174.2	-70.6	173.8	174.6	0	0	111.5	E52 W58 C59 L60	E52-E56 PolarHBondContact O-N 3.16Å; E56-W58 VanDerWaalsContact C-N 3.33Å; E56-W58 PolarHBondContact O-N 3.38Å; E56-C59 PolarHBondContact O-N 3.3Å; E56-L60 VanDerWaalsContact O-CB 3.31Å; E56-L60 WeakPolarHBondContact O-CB 3.29Å; E56-L60 PolarHBondContact O-N 3.28Å
57	R	79.4	Confident	82	Confident	64 Å²	64	78.6 Å²	78.6	24%	0.242	36%	0.356	C	S	.	.	H	α-helix	trans	-61.1	-40	175.7	-75.1	168.7	172.7	-177.2	-8.7	112.8	F26 R53 N54 K55 L60 E61	F26-R57 HydrophobicContact CE1-CB 4.32Å; F26-R57 HydrophobicContact CZ-CB 4.42Å; R53-R57 WeakPolarHBondContact O-CD 3.49Å; R53-R57 VanDerWaalsContact O-CG 3.25Å; R53-R57 WeakPolarHBondContact O-CG 3.38Å; R53-R57 PolarHBondContact O-N 3.1Å; N54-R57 PolarHBondContact O-N 3.44Å; N54-R57 PolarHBondContact OD1-NH1 3.42Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 3.07Å; R57-L60 PolarHBondContact O-N 3.27Å; R57-E61 PolarHBondContact O-N 2.85Å
58	W	84.4	Confident	83	Confident	0 Å²	0	73 Å²	73	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-47.4	177.5	176	-100.9	0	0	0	112	F26 K44 C46 N54 K55 E56 L60 E61 I62 P93 L95	F26-W58 HydrophobicContact CB-CE3 4.15Å; F26-W58 HydrophobicContact CB-CZ3 4.33Å; K44-W58 HydrophobicContact CB-CH2 4.09Å; K44-W58 HydrophobicContact CD-CH2 3.87Å; K44-W58 HydrophobicContact CD-CZ3 3.69Å; K44-W58 HydrophobicContact CG-CH2 3.66Å; K44-W58 HydrophobicContact CG-CZ3 3.88Å; C46-W58 HydrophobicContact CB-CD2 4.15Å; C46-W58 HydrophobicContact CB-CZ2 4.18Å; N54-W58 WeakPolarHBondContact O-CB 3.32Å; N54-W58 PolarHBondContact O-N 3.23Å; K55-W58 WeakPolarHBondContact O-CB 3.36Å; K55-W58 PolarHBondContact O-N 3.02Å; K55-W58 VanDerWaalsContact O-N 3.13Å; E56-W58 VanDerWaalsContact C-N 3.33Å; E56-W58 PolarHBondContact O-N 3.38Å; W58-L60 VanDerWaalsContact C-N 3.31Å; W58-L60 PolarHBondContact O-N 3.42Å; W58-E61 PolarHBondContact O-N 3.18Å; W58-I62 HydrophobicContact CD2-CD1 4.38Å; W58-I62 HydrophobicContact CZ2-CD1 3.96Å; W58-I62 PolarHBondContact O-N 3.4Å; W58-I62 VanDerWaalsContact O-N 3.14Å; W58-P93 WeakPolarHBondContact CZ2-O 3.41Å; W58-P93 PolarHBondContact NE1-O 3.02Å; W58-L95 HydrophobicContact CH2-CB 4.34Å; W58-L95 HydrophobicContact CZ2-CB 4.42Å
59	C	85.9	Confident	84.4	Confident	58 Å²	58	72.6 Å²	72.6	39%	0.392	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-41.1	175.7	-67.6	0	0	0	0	111.6	K55 E56 I62 Q63	K55-C59 PolarHBondContact O-N 2.99Å; K55-C59 PolarHBondContact O-SG 2.94Å; E56-C59 PolarHBondContact O-N 3.3Å; C59-I62 PolarHBondContact O-N 3.5Å; C59-Q63 WeakPolarHBondContact O-CB 3.44Å; C59-Q63 PolarHBondContact O-N 3.47Å
60	L	84.3	Confident	85.6	Confident	59 Å²	59	66 Å²	66	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-43.6	175.6	-178	63.7	0	0	0	111.7	E56 R57 W58 I62 Q63 I64	E56-L60 VanDerWaalsContact O-CB 3.31Å; E56-L60 WeakPolarHBondContact O-CB 3.29Å; E56-L60 PolarHBondContact O-N 3.28Å; R57-L60 PolarHBondContact O-N 3.27Å; W58-L60 VanDerWaalsContact C-N 3.31Å; W58-L60 PolarHBondContact O-N 3.42Å; L60-I62 VanDerWaalsContact C-N 3.31Å; L60-I62 PolarHBondContact O-N 3.39Å; L60-Q63 PolarHBondContact O-N 2.97Å; L60-I64 HydrophobicContact CD1-CD1 4.08Å; L60-I64 HydrophobicContact CD1-CG1 4.15Å; L60-I64 HydrophobicContact CD2-CD1 4.42Å; L60-I64 HydrophobicContact CG-CD1 3.83Å; L60-I64 HydrophobicContact CG-CG1 4.3Å; L60-I64 WeakPolarHBondContact O-CB 3.37Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 3.16Å
61	E	86.9	Confident	86.7	Confident	3 Å²	3	68.6 Å²	68.6	1%	0.014	33%	0.325	C	S	.	.	H	α-helix	trans	-55.9	-47.3	175.6	-178.1	179.9	179.7	0	0	111	K44 R57 W58 Q63 I64 M65 L95 L168 G169	K44-E61 IonicContact NZ-OE1 3.8Å; K44-E61 PolarHBondContact NZ-OE1 2.94Å; K44-E61 IonicContact NZ-OE2 2.73Å; K44-E61 PolarHBondContact NZ-OE2 3.49Å; R57-E61 PolarHBondContact O-N 2.85Å; W58-E61 PolarHBondContact O-N 3.18Å; E61-Q63 PolarHBondContact O-N 2.96Å; E61-I64 PolarHBondContact O-N 2.74Å; E61-M65 HydrophobicContact CG-CG 4.33Å; E61-M65 WeakPolarHBondContact O-CB 3.42Å; E61-M65 WeakPolarHBondContact O-CG 3.38Å; E61-M65 PolarHBondContact O-N 2.92Å; E61-L95 HydrophobicContact CG-CD2 4.46Å; E61-L168 HydrophobicContact CG-CB 4.44Å; E61-G169 VanDerWaalsContact CD-CA 3.41Å; E61-G169 VanDerWaalsContact CD-N 3.31Å; E61-G169 PolarHBondContact OE1-N 3.01Å; E61-G169 WeakPolarHBondContact OE2-CA 3.46Å
62	I	88.9	Confident	87.6	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-43.2	178.8	-69.3	168.1	0	0	0	111.3	W58 C59 L60 M65 R66 P93 L95	W58-I62 HydrophobicContact CD2-CD1 4.38Å; W58-I62 HydrophobicContact CZ2-CD1 3.96Å; W58-I62 PolarHBondContact O-N 3.4Å; W58-I62 VanDerWaalsContact O-N 3.14Å; C59-I62 PolarHBondContact O-N 3.5Å; L60-I62 VanDerWaalsContact C-N 3.31Å; L60-I62 PolarHBondContact O-N 3.39Å; I62-M65 PolarHBondContact O-N 3.47Å; I62-R66 HydrophobicContact CG2-CG 4.44Å; I62-R66 WeakPolarHBondContact O-CB 3.38Å; I62-R66 VanDerWaalsContact O-CG 3.31Å; I62-R66 WeakPolarHBondContact O-CG 3.42Å; I62-R66 PolarHBondContact O-N 2.97Å; I62-P93 HydrophobicContact CD1-CB 3.98Å; I62-P93 HydrophobicContact CD1-CG 3.63Å; I62-P93 WeakPolarHBondContact CD1-O 3.29Å; I62-L95 HydrophobicContact CD1-CB 4.33Å; I62-L95 HydrophobicContact CG1-CB 3.95Å; I62-L95 HydrophobicContact CG1-CD1 4.22Å; I62-L95 HydrophobicContact CG1-CD2 4.45Å; I62-L95 HydrophobicContact CG1-CG 4.42Å
63	Q	89.4	Confident	88.4	Confident	119 Å²	119	60.4 Å²	60.4	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-61.5	-44.6	177.6	-175.8	-178.3	2.7	0	0	111.6	C59 L60 E61	C59-Q63 WeakPolarHBondContact O-CB 3.44Å; C59-Q63 PolarHBondContact O-N 3.47Å; L60-Q63 PolarHBondContact O-N 2.97Å; E61-Q63 PolarHBondContact O-N 2.96Å
64	I	89.4	Confident	89.4	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-52.5	176.2	-68.2	173.1	0	0	0	109.5	L60 E61 R66 R67 L68 I142 L168 E173	L60-I64 HydrophobicContact CD1-CD1 4.08Å; L60-I64 HydrophobicContact CD1-CG1 4.15Å; L60-I64 HydrophobicContact CD2-CD1 4.42Å; L60-I64 HydrophobicContact CG-CD1 3.83Å; L60-I64 HydrophobicContact CG-CG1 4.3Å; L60-I64 WeakPolarHBondContact O-CB 3.37Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 3.16Å; E61-I64 PolarHBondContact O-N 2.74Å; I64-R66 VanDerWaalsContact C-N 3.27Å; I64-R66 PolarHBondContact O-N 2.84Å; I64-R67 WeakPolarHBondContact O-CG 3.31Å; I64-R67 PolarHBondContact O-N 3.43Å; I64-R67 VanDerWaalsContact O-N 3.12Å; I64-L68 HydrophobicContact CG2-CD1 3.82Å; I64-L68 HydrophobicContact CG2-CG 4.33Å; I64-L68 WeakPolarHBondContact O-CG 3.42Å; I64-L68 PolarHBondContact O-N 3Å; I64-I142 HydrophobicContact CG2-CD1 3.81Å; I64-I142 HydrophobicContact CG2-CG1 4.49Å; I64-L168 HydrophobicContact CG2-CD1 3.6Å; I64-E173 HydrophobicContact CD1-CG 4.18Å; I64-E173 WeakPolarHBondContact CG1-OE1 3.42Å
65	M	91.1	Very high	90.2	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-36.5	-177	-72.6	-68.1	-62.9	0	0	112.7	E61 I62 R67 L68 V74 A76 L95 M97 L168	E61-M65 HydrophobicContact CG-CG 4.33Å; E61-M65 WeakPolarHBondContact O-CB 3.42Å; E61-M65 WeakPolarHBondContact O-CG 3.38Å; E61-M65 PolarHBondContact O-N 2.92Å; I62-M65 PolarHBondContact O-N 3.47Å; M65-R67 VanDerWaalsContact C-N 3.29Å; M65-R67 PolarHBondContact O-N 3.36Å; M65-L68 PolarHBondContact O-N 3.46Å; M65-V74 HydrophobicContact CE-CG1 4.49Å; M65-V74 WeakPolarHBondContact CE-O 3.37Å; M65-A76 HydrophobicContact CB-CB 4.27Å; M65-L95 HydrophobicContact CB-CD1 4.1Å; M65-L95 HydrophobicContact CG-CD2 4.14Å; M65-M97 HydrophobicContact CE-CG 4.3Å; M65-M97 HydrophobicContact CE-SD 4.09Å; M65-L168 HydrophobicContact CG-CD1 4.38Å; M65-L168 HydrophobicContact SD-CB 4.24Å; M65-L168 HydrophobicContact SD-CD1 3.53Å; M65-L168 VanDerWaalsContact SD-CD1 3.53Å; M65-L168 HydrophobicContact SD-CG 3.84Å
66	R	90.6	Very high	90.8	Very high	169 Å²	169	50.6 Å²	50.6	64%	0.638	25%	0.25	S	S	*	.	H	α-helix	trans	-68.1	-21.7	178.8	-78.2	177.9	175.6	177.4	-0.1	114.8	I62 I64 A76	I62-R66 HydrophobicContact CG2-CG 4.44Å; I62-R66 WeakPolarHBondContact O-CB 3.38Å; I62-R66 VanDerWaalsContact O-CG 3.31Å; I62-R66 WeakPolarHBondContact O-CG 3.42Å; I62-R66 PolarHBondContact O-N 2.97Å; I64-R66 VanDerWaalsContact C-N 3.27Å; I64-R66 PolarHBondContact O-N 2.84Å; R66-A76 HydrophobicContact CG-CB 4.32Å
67	R	91.3	Very high	91.4	Very high	104 Å²	104	50.1 Å²	50.1	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-100.5	-3.4	179.9	66.3	168.8	-167.7	-147.8	-4.3	113.7	I64 M65 E173	I64-R67 WeakPolarHBondContact O-CG 3.31Å; I64-R67 PolarHBondContact O-N 3.43Å; I64-R67 VanDerWaalsContact O-N 3.12Å; M65-R67 VanDerWaalsContact C-N 3.29Å; M65-R67 PolarHBondContact O-N 3.36Å; R67-E173 IonicContact CZ-OE1 3.76Å; R67-E173 IonicContact CZ-OE2 3.19Å; R67-E173 VanDerWaalsContact NH1-CD 3.26Å; R67-E173 IonicContact NH1-OE1 3.63Å; R67-E173 PolarHBondContact NH1-OE1 2.93Å; R67-E173 IonicContact NH1-OE2 2.75Å; R67-E173 PolarHBondContact NH1-OE2 3.47Å; R67-E173 IonicContact NH2-OE1 2.91Å; R67-E173 PolarHBondContact NH2-OE1 3.29Å; R67-E173 IonicContact NH2-OE2 2.87Å
68	L	94.1	Very high	92.1	Very high	13 Å²	13	55.7 Å²	55.7	7%	0.068	27%	0.272	C	S	.	.			trans	-91	134.6	178.2	-63.4	175.2	0	0	0	109.9	I64 M65 V73 Y136 L137 K140 I142 L168	I64-L68 HydrophobicContact CG2-CD1 3.82Å; I64-L68 HydrophobicContact CG2-CG 4.33Å; I64-L68 WeakPolarHBondContact O-CG 3.42Å; I64-L68 PolarHBondContact O-N 3Å; M65-L68 PolarHBondContact O-N 3.46Å; L68-V73 HydrophobicContact CB-CG1 4.49Å; L68-V73 HydrophobicContact CD1-CG1 4.18Å; L68-Y136 HydrophobicContact CB-CE1 4.22Å; L68-Y136 HydrophobicContact CD2-CE1 3.59Å; L68-Y136 HydrophobicContact CG-CE1 4.42Å; L68-L137 HydrophobicContact CD1-CD2 3.74Å; L68-L137 HydrophobicContact CD2-CD2 4.16Å; L68-K140 HydrophobicContact CD2-CG 4.4Å; L68-I142 HydrophobicContact CD1-CD1 4.35Å; L68-I142 HydrophobicContact CD2-CD1 3.58Å; L68-I142 HydrophobicContact CG-CD1 4.41Å; L68-L168 HydrophobicContact CD1-CD1 3.22Å
69	D	94.9	Very high	92.5	Very high	138 Å²	138	57.5 Å²	57.5	74%	0.738	28%	0.283	S	S	*	.			trans	-144.1	101.1	177.8	-178.1	19.2	0	0	0	107.8	Y136	D69-Y136 PolarHBondContact N-OH 2.96Å; D69-Y136 WeakPolarHBondContact O-CE2 3.46Å; D69-Y136 VanDerWaalsContact O-CZ 3.23Å; D69-Y136 PolarHBondContact O-OH 3.42Å
70	H	97.1	Very high	92.8	Very high	41 Å²	41	55.7 Å²	55.7	19%	0.19	27%	0.27	C	S	.	.			trans	-160.4	138.8	-179.2	-171.5	-97.5	0	0	0	110.6	N72 V73 S132 Y136	H70-N72 PolarHBondContact CE1-OD1 3.2Å; H70-N72 PolarHBondContact ND1-N 2.99Å; H70-N72 PolarHBondContact O-N 3.46Å; H70-N72 VanDerWaalsContact O-N 3.15Å; H70-V73 HydrophobicContact CB-CB 4.23Å; H70-V73 HydrophobicContact CB-CG2 4.1Å; H70-V73 PolarHBondContact O-N 2.87Å; H70-S132 PolarHBondContact CE1-OG 3.3Å; H70-S132 PolarHBondContact NE2-OG 3.06Å; H70-Y136 HydrophobicContact CB-CD1 3.58Å; H70-Y136 HydrophobicContact CB-CD2 4.11Å; H70-Y136 HydrophobicContact CB-CE1 3.66Å; H70-Y136 HydrophobicContact CB-CE2 4.17Å; H70-Y136 HydrophobicContact CB-CG 3.81Å; H70-Y136 AromaticContact CD2-CD2 3.73Å; H70-Y136 AromaticContact CD2-CG 3.68Å; H70-Y136 AromaticContact CG-CD1 3.93Å; H70-Y136 AromaticContact CG-CG 3.73Å
71	V	95.8	Very high	93	Very high	84 Å²	84	62.1 Å²	62.1	51%	0.509	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.8	-176.3	66	0	0	0	0	113.6	I162 K164	V71-I162 HydrophobicContact CG2-CG2 4.45Å; V71-K164 WeakPolarHBondContact O-CE 3.35Å; V71-K164 WeakPolarHBondContact O-CG 3.45Å; V71-K164 PolarHBondContact O-NZ 3.45Å
72	N	97.4	Very high	93	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.032	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	15.4	179.1	-55.4	111.5	0	0	0	114.3	H70 D129 A133 H163 K164 I165	H70-N72 PolarHBondContact CE1-OD1 3.2Å; H70-N72 PolarHBondContact ND1-N 2.99Å; H70-N72 PolarHBondContact O-N 3.46Å; H70-N72 VanDerWaalsContact O-N 3.15Å; N72-D129 WeakPolarHBondContact CB-O 3.28Å; N72-D129 WeakPolarHBondContact ND2-CA 3.5Å; N72-D129 WeakPolarHBondContact ND2-CB 3.43Å; N72-D129 PolarHBondContact ND2-OD1 2.92Å; N72-D129 PolarHBondContact OD1-O 3.44Å; N72-A133 HydrophobicContact CB-CB 3.71Å; N72-A133 WeakPolarHBondContact O-CB 3.49Å; N72-H163 WeakPolarHBondContact CB-O 3.38Å; N72-H163 PolarHBondContact ND2-O 3.38Å; N72-K164 CarbonylContact O-C 3.58Å; N72-K164 VanDerWaalsContact O-CA 3.27Å; N72-K164 WeakPolarHBondContact O-CA 3.42Å; N72-I165 PolarHBondContact O-N 3.44Å
73	V	97.5	Very high	93	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-121.4	139.6	168.2	-179.2	0	0	0	0	107.5	L68 H70 A75 A133 Y136 L137	L68-V73 HydrophobicContact CB-CG1 4.49Å; L68-V73 HydrophobicContact CD1-CG1 4.18Å; H70-V73 HydrophobicContact CB-CB 4.23Å; H70-V73 HydrophobicContact CB-CG2 4.1Å; H70-V73 PolarHBondContact O-N 2.87Å; V73-A75 PolarHBondContact O-N 3.43Å; V73-A133 HydrophobicContact CG2-CB 4.14Å; V73-Y136 HydrophobicContact CG2-CD1 4.21Å; V73-L137 HydrophobicContact CG2-CD2 4.38Å; V73-L137 HydrophobicContact CG2-CG 4.41Å
74	V	96.4	Very high	92.9	Very high	4 Å²	4	61 Å²	61	2%	0.024	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-66.2	126.9	178.1	164.3	0	0	0	0	110.4	M65 M97 E98 V153 K164 I165 I166	M65-V74 HydrophobicContact CE-CG1 4.49Å; M65-V74 WeakPolarHBondContact CE-O 3.37Å; V74-M97 HydrophobicContact CG1-CB 3.74Å; V74-M97 HydrophobicContact CG1-CG 4.16Å; V74-M97 HydrophobicContact CG1-SD 4.24Å; V74-E98 WeakPolarHBondContact CA-OE1 3.29Å; V74-E98 HydrophobicContact CB-CG 4.47Å; V74-E98 HydrophobicContact CG1-CG 3.79Å; V74-V153 HydrophobicContact CG2-CG2 3.65Å; V74-K164 HydrophobicContact CG2-CB 3.73Å; V74-K164 HydrophobicContact CG2-CD 4.12Å; V74-I165 PolarHBondContact N-O 2.98Å; V74-I166 HydrophobicContact CB-CG2 3.7Å; V74-I166 HydrophobicContact CG1-CG2 4.24Å; V74-I166 HydrophobicContact CG2-CG2 3.21Å
75	A	95.4	Very high	92.6	Very high	31 Å²	31	70.4 Å²	70.4	26%	0.256	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-75.7	135.8	179.9	0	0	0	0	0	111.8	V73 M97 E98	V73-A75 PolarHBondContact O-N 3.43Å; A75-M97 VanDerWaalsContact O-CA 3.32Å; A75-M97 WeakPolarHBondContact O-CA 3.39Å; A75-E98 HydrophobicContact CB-CG 4.35Å; A75-E98 PolarHBondContact N-OE1 2.99Å; A75-E98 PolarHBondContact O-N 3.39Å
76	A	95.1	Very high	92.2	Very high	28 Å²	28	74.5 Å²	74.5	23%	0.231	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	145.2	164.2	0	0	0	0	0	110.2	M65 R66 L95 A96	M65-A76 HydrophobicContact CB-CB 4.27Å; R66-A76 HydrophobicContact CG-CB 4.32Å; A76-L95 HydrophobicContact CB-CD1 4.39Å; A76-A96 WeakPolarHBondContact CA-O 3.46Å
77	R	94.6	Very high	91.7	Very high	120 Å²	120	67 Å²	67	45%	0.453	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	162.3	175.3	-64.6	-70	-179.5	164.9	-1.6	109.6	A96	R77-A96 HydrophobicContact CB-CB 4.13Å; R77-A96 PolarHBondContact N-O 3Å
78	E	93.1	Very high	91.2	Very high	182 Å²	182	63 Å²	63	85%	0.85	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-65.6	141.8	169.1	-64.3	-168.5	165.7	0	0	109.9	P80	E78-P80 WeakPolarHBondContact O-CD 3.46Å
79	V	93.1	Very high	90.4	Very high	38 Å²	38	65.5 Å²	65.5	23%	0.23	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-77.6	121	174.8	177.2	0	0	0	0	107.5	M83 L94 A96	V79-M83 HydrophobicContact CG1-CB 3.98Å; V79-L94 HydrophobicContact CG1-CB 4.29Å; V79-L94 HydrophobicContact CG1-CD1 4.16Å; V79-L94 HydrophobicContact CG2-CB 4.12Å; V79-A96 HydrophobicContact CG2-CB 3.98Å
80	P	92.2	Very high	89.7	Confident	19 Å²	19	60.9 Å²	60.9	12%	0.123	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-54.7	144.4	179.4	-28.1	35.5	0	0	0	113.1	W15 I41 E78 G82 M83	W15-P80 HydrophobicContact CD2-CG 4.1Å; W15-P80 HydrophobicContact CG-CB 4.39Å; W15-P80 HydrophobicContact CG-CG 4.4Å; W15-P80 HydrophobicContact CZ2-CG 3.92Å; I41-P80 HydrophobicContact CD1-CG 3.7Å; E78-P80 WeakPolarHBondContact O-CD 3.46Å; P80-G82 PolarHBondContact O-N 3.08Å; P80-M83 HydrophobicContact CB-CE 4.06Å; P80-M83 HydrophobicContact CB-CG 4.09Å; P80-M83 HydrophobicContact CB-SD 3.9Å; P80-M83 HydrophobicContact CG-CE 3.87Å; P80-M83 HydrophobicContact CG-SD 3.67Å; P80-M83 WeakPolarHBondContact O-CB 3.23Å; P80-M83 PolarHBondContact O-N 3.49Å; P80-M83 VanDerWaalsContact O-N 3.09Å
81	Q	88.7	Confident	89.1	Confident	194 Å²	194	67 Å²	67	91%	0.907	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	132	-177.3	-166.8	179.5	17.2	0	0	110.9	M83	Q81-M83 VanDerWaalsContact C-N 3.31Å; Q81-M83 PolarHBondContact O-N 3.15Å
82	G	86.1	Confident	88.6	Confident	37 Å²	37	64.1 Å²	64.1	38%	0.381	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-22.8	-178.8	0	0	0	0	0	115	P80 Q84 K85 L86	P80-G82 PolarHBondContact O-N 3.08Å; G82-Q84 VanDerWaalsContact C-N 3.32Å; G82-Q84 PolarHBondContact O-N 2.71Å; G82-K85 PolarHBondContact O-N 2.9Å; G82-K85 VanDerWaalsContact O-N 3.14Å; G82-L86 WeakPolarHBondContact O-CB 3.32Å; G82-L86 PolarHBondContact O-N 3.25Å
83	M	88.8	Confident	88.2	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-36.6	-179.5	-80.5	-168.5	-178.7	0	0	112.7	C12 W15 W32 I41 L43 V79 P80 Q81 K85 L86 V87 L94	C12-M83 HydrophobicContact CB-CE 4.36Å; C12-M83 HydrophobicContact CB-CG 3.9Å; C12-M83 PolarHBondContact SG-N 3.09Å; C12-M83 VanDerWaalsContact SG-N 3.41Å; W15-M83 HydrophobicContact CB-CE 3.28Å; W15-M83 HydrophobicContact CD2-CE 3.9Å; W15-M83 HydrophobicContact CE3-CE 4.3Å; W15-M83 HydrophobicContact CG-CE 3.45Å; W15-M83 VanDerWaalsContact CG-CE 3.45Å; W32-M83 HydrophobicContact CB-CE 4.21Å; W32-M83 HydrophobicContact CD2-CE 3.63Å; W32-M83 HydrophobicContact CD2-SD 4.46Å; W32-M83 HydrophobicContact CE3-CE 3.42Å; W32-M83 VanDerWaalsContact CE3-CE 3.42Å; W32-M83 HydrophobicContact CG-CE 4.01Å; W32-M83 HydrophobicContact CZ3-CE 3.96Å; I41-M83 HydrophobicContact CD1-CE 4.32Å; I41-M83 HydrophobicContact CD1-SD 4.28Å; L43-M83 HydrophobicContact CD2-SD 3.83Å; V79-M83 HydrophobicContact CG1-CB 3.98Å; P80-M83 HydrophobicContact CB-CE 4.06Å; P80-M83 HydrophobicContact CB-CG 4.09Å; P80-M83 HydrophobicContact CB-SD 3.9Å; P80-M83 HydrophobicContact CG-CE 3.87Å; P80-M83 HydrophobicContact CG-SD 3.67Å; P80-M83 WeakPolarHBondContact O-CB 3.23Å; P80-M83 PolarHBondContact O-N 3.49Å; P80-M83 VanDerWaalsContact O-N 3.09Å; Q81-M83 VanDerWaalsContact C-N 3.31Å; Q81-M83 PolarHBondContact O-N 3.15Å; M83-K85 PolarHBondContact O-N 3.49Å; M83-L86 PolarHBondContact O-N 3.24Å; M83-V87 HydrophobicContact CB-CG2 4.36Å; M83-V87 HydrophobicContact CG-CG2 4.41Å; M83-V87 WeakPolarHBondContact O-CB 3.34Å; M83-V87 PolarHBondContact O-N 2.72Å; M83-L94 HydrophobicContact CB-CD1 4.28Å; M83-L94 WeakPolarHBondContact O-CD1 3.47Å
84	Q	87.4	Confident	87.9	Confident	68 Å²	68	65.8 Å²	65.8	32%	0.318	35%	0.346	S	S	.	.	H	α-helix	trans	-59	-36.1	176.9	-173.8	63.4	47.1	0	0	112.2	G82 A88 L92	G82-Q84 VanDerWaalsContact C-N 3.32Å; G82-Q84 PolarHBondContact O-N 2.71Å; Q84-A88 WeakPolarHBondContact O-CB 3.2Å; Q84-L92 PolarHBondContact NE2-O 2.97Å
85	K	83.8	Confident	87.7	Confident	198 Å²	198	65.8 Å²	65.8	86%	0.861	35%	0.346	S	S	*	.	H	α-helix	trans	-82.4	-35.7	178.5	-66.7	-176.2	-179.5	-179	0	112.5	G82 M83	G82-K85 PolarHBondContact O-N 2.9Å; G82-K85 VanDerWaalsContact O-N 3.14Å; M83-K85 PolarHBondContact O-N 3.49Å
86	L	82.6	Confident	87.7	Confident	87 Å²	87	64.3 Å²	64.3	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-82.9	-41.1	-173.2	-175.7	73.6	0	0	0	112.9	Q10 T11 C12 G82 M83	Q10-L86 HydrophobicContact CG-CD2 4.42Å; T11-L86 WeakPolarHBondContact O-CD2 3.32Å; C12-L86 HydrophobicContact CB-CD2 3.67Å; G82-L86 WeakPolarHBondContact O-CB 3.32Å; G82-L86 PolarHBondContact O-N 3.25Å; M83-L86 PolarHBondContact O-N 3.24Å
87	V	81.2	Confident	87.7	Confident	11 Å²	11	63.7 Å²	63.7	7%	0.067	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-38.7	-169.6	-175.2	0	0	0	0	110.9	W32 L43 Q45 M83 T89 L94	W32-V87 HydrophobicContact CH2-CG2 3.74Å; W32-V87 HydrophobicContact CZ2-CG1 4.35Å; W32-V87 HydrophobicContact CZ2-CG2 3.51Å; L43-V87 HydrophobicContact CD2-CB 4.38Å; L43-V87 HydrophobicContact CD2-CG1 4Å; L43-V87 HydrophobicContact CD2-CG2 4.37Å; Q45-V87 PolarHBondContact NE2-O 3.15Å; M83-V87 HydrophobicContact CB-CG2 4.36Å; M83-V87 HydrophobicContact CG-CG2 4.41Å; M83-V87 WeakPolarHBondContact O-CB 3.34Å; M83-V87 PolarHBondContact O-N 2.72Å; V87-T89 PolarHBondContact O-N 3.42Å; V87-L94 HydrophobicContact CB-CD1 4.14Å
88	A	79.7	Confident	87.7	Confident	21 Å²	21	59.3 Å²	59.3	17%	0.174	31%	0.311	C	S	.	.			trans	-62.7	138.7	-177.1	0	0	0	0	0	111.3	Q84 L94	Q84-A88 WeakPolarHBondContact O-CB 3.2Å; A88-L94 HydrophobicContact CB-CD2 4.16Å; A88-L94 HydrophobicContact CB-CG 4.23Å
89	T	77.3	Confident	87.8	Confident	65 Å²	65	52.5 Å²	52.5	40%	0.399	28%	0.278	S	S	.	.	S	Bend	trans	-97.8	-4.9	-178.1	37.3	0	0	0	0	112.6	Q45 C46 Q48 V87	Q45-T89 PolarHBondContact NE2-OG1 3.3Å; C46-T89 PolarHBondContact O-OG1 3.18Å; Q48-T89 HydrophobicContact CG-CG2 4.17Å; V87-T89 PolarHBondContact O-N 3.42Å
90	N	80.4	Confident	87.9	Confident	42 Å²	42	51.3 Å²	51.3	23%	0.225	27%	0.271	C	S	.	.	S	Bend	trans	-157.2	178.4	179.6	53.5	25.3	0	0	0	109.4	R47 Q48 L92	R47-N90 PolarHBondContact O-ND2 2.85Å; Q48-N90 PolarHBondContact O-ND2 3.42Å; N90-L92 PolarHBondContact O-N 3.12Å; N90-L92 VanDerWaalsContact OD1-CB 3.32Å; N90-L92 WeakPolarHBondContact OD1-CB 3.38Å; N90-L92 PolarHBondContact OD1-N 3.43Å
91	D	83.8	Confident	87.9	Confident	170 Å²	170	55.7 Å²	55.7	91%	0.909	29%	0.29	S	S	*	.	S	Bend	trans	-71.2	3.8	-178.9	-59.5	-42.9	0	0	0	114.2
92	L	86.3	Confident	88	Confident	23 Å²	23	48.4 Å²	48.4	12%	0.12	27%	0.267	C	S	.	.	S	Bend	trans	-78.6	140.7	180	-61.7	172.8	0	0	0	110.9	C46 L50 K55 Q84 N90	C46-L92 HydrophobicContact CB-CD1 4.06Å; C46-L92 VanDerWaalsContact SG-CD1 3.54Å; L50-L92 HydrophobicContact CD1-CD1 4.02Å; K55-L92 HydrophobicContact CB-CD2 4.13Å; K55-L92 HydrophobicContact CD-CD2 4.37Å; K55-L92 HydrophobicContact CG-CD1 4.19Å; K55-L92 HydrophobicContact CG-CD2 4.2Å; Q84-L92 PolarHBondContact NE2-O 2.97Å; N90-L92 PolarHBondContact O-N 3.12Å; N90-L92 VanDerWaalsContact OD1-CB 3.32Å; N90-L92 WeakPolarHBondContact OD1-CB 3.38Å; N90-L92 PolarHBondContact OD1-N 3.43Å
93	P	88.7	Confident	88.3	Confident	41 Å²	41	47.5 Å²	47.5	27%	0.266	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-64.8	145.5	-179.9	23.2	-30.7	0	0	0	111.7	W58 I62	W58-P93 WeakPolarHBondContact CZ2-O 3.41Å; W58-P93 PolarHBondContact NE1-O 3.02Å; I62-P93 HydrophobicContact CD1-CB 3.98Å; I62-P93 HydrophobicContact CD1-CG 3.63Å; I62-P93 WeakPolarHBondContact CD1-O 3.29Å
94	L	91.4	Very high	88.6	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-76.7	152.3	169.1	-62.7	170.4	0	0	0	110.7	L43 Q45 V79 M83 V87 A88	L43-L94 HydrophobicContact CD1-CB 3.97Å; L43-L94 HydrophobicContact CD1-CD1 4.29Å; L43-L94 HydrophobicContact CD2-CD1 4.17Å; Q45-L94 HydrophobicContact CB-CD2 3.9Å; Q45-L94 HydrophobicContact CG-CD2 4.03Å; V79-L94 HydrophobicContact CG1-CB 4.29Å; V79-L94 HydrophobicContact CG1-CD1 4.16Å; V79-L94 HydrophobicContact CG2-CB 4.12Å; M83-L94 HydrophobicContact CB-CD1 4.28Å; M83-L94 WeakPolarHBondContact O-CD1 3.47Å; V87-L94 HydrophobicContact CB-CD1 4.14Å; A88-L94 HydrophobicContact CB-CD2 4.16Å; A88-L94 HydrophobicContact CB-CG 4.23Å
95	L	92.1	Very high	89	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	102.8	170.6	178	58.6	0	0	0	109.1	K44 W58 E61 I62 M65 A76 M97	K44-L95 HydrophobicContact CB-CB 4.22Å; K44-L95 HydrophobicContact CD-CD2 4.33Å; K44-L95 PolarHBondContact N-O 2.93Å; K44-L95 PolarHBondContact O-N 3.42Å; K44-L95 VanDerWaalsContact O-N 3.12Å; W58-L95 HydrophobicContact CH2-CB 4.34Å; W58-L95 HydrophobicContact CZ2-CB 4.42Å; E61-L95 HydrophobicContact CG-CD2 4.46Å; I62-L95 HydrophobicContact CD1-CB 4.33Å; I62-L95 HydrophobicContact CG1-CB 3.95Å; I62-L95 HydrophobicContact CG1-CD1 4.22Å; I62-L95 HydrophobicContact CG1-CD2 4.45Å; I62-L95 HydrophobicContact CG1-CG 4.42Å; M65-L95 HydrophobicContact CB-CD1 4.1Å; M65-L95 HydrophobicContact CG-CD2 4.14Å; A76-L95 HydrophobicContact CB-CD1 4.39Å; L95-M97 HydrophobicContact CD1-CG 4.27Å; L95-M97 HydrophobicContact CD2-CG 4.38Å; L95-M97 HydrophobicContact CD2-SD 3.95Å; L95-M97 HydrophobicContact CG-CG 3.93Å; L95-M97 HydrophobicContact CG-SD 4.1Å
96	A	94.4	Very high	89.5	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.1	168.2	0	0	0	0	0	109.6	L43 A76 R77 V79	L43-A96 HydrophobicContact CD1-CB 3.93Å; A76-A96 WeakPolarHBondContact CA-O 3.46Å; R77-A96 HydrophobicContact CB-CB 4.13Å; R77-A96 PolarHBondContact N-O 3Å; V79-A96 HydrophobicContact CG2-CB 3.98Å
97	M	95.5	Very high	90	Very high	14 Å²	14	38.6 Å²	38.6	7%	0.069	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	159.1	-178.2	-64.8	170.1	-66.4	0	0	109.7	I41 A42 K44 M65 V74 A75 L95	I41-M97 WeakPolarHBondContact CA-O 3.36Å; A42-M97 HydrophobicContact CB-CB 4.4Å; A42-M97 HydrophobicContact CB-CE 4.33Å; A42-M97 PolarHBondContact N-O 2.95Å; A42-M97 PolarHBondContact O-N 3.4Å; K44-M97 HydrophobicContact CB-CE 3.85Å; M65-M97 HydrophobicContact CE-CG 4.3Å; M65-M97 HydrophobicContact CE-SD 4.09Å; V74-M97 HydrophobicContact CG1-CB 3.74Å; V74-M97 HydrophobicContact CG1-CG 4.16Å; V74-M97 HydrophobicContact CG1-SD 4.24Å; A75-M97 VanDerWaalsContact O-CA 3.32Å; A75-M97 WeakPolarHBondContact O-CA 3.39Å; L95-M97 HydrophobicContact CD1-CG 4.27Å; L95-M97 HydrophobicContact CD2-CG 4.38Å; L95-M97 HydrophobicContact CD2-SD 3.95Å; L95-M97 HydrophobicContact CG-CG 3.93Å; L95-M97 HydrophobicContact CG-SD 4.1Å
98	E	95.1	Very high	90.6	Very high	28 Å²	28	41.3 Å²	41.3	13%	0.131	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	141.8	166.6	62.6	177.5	152	0	0	110.9	V74 A75 K164	V74-E98 WeakPolarHBondContact CA-OE1 3.29Å; V74-E98 HydrophobicContact CB-CG 4.47Å; V74-E98 HydrophobicContact CG1-CG 3.79Å; A75-E98 HydrophobicContact CB-CG 4.35Å; A75-E98 PolarHBondContact N-OE1 2.99Å; A75-E98 PolarHBondContact O-N 3.39Å; E98-K164 WeakPolarHBondContact OE1-CE 3.42Å; E98-K164 IonicContact OE1-NZ 3.06Å; E98-K164 PolarHBondContact OE1-NZ 2.84Å; E98-K164 IonicContact OE2-NZ 2.77Å
99	Y	95.4	Very high	91.3	Very high	39 Å²	39	41 Å²	41	15%	0.153	22%	0.219	C	C	.	.			trans	-88.5	125.2	175.1	172.3	-113.6	0	0	0	111.1	L21 R31 Q40 Q101 Q155	L21-Y99 HydrophobicContact CD1-CD2 3.69Å; L21-Y99 HydrophobicContact CD1-CE2 3.75Å; L21-Y99 HydrophobicContact CD2-CD2 4.47Å; L21-Y99 HydrophobicContact CD2-CE2 3.69Å; L21-Y99 HydrophobicContact CG-CE2 4.38Å; R31-Y99 HydrophobicContact CG-CD2 4.08Å; R31-Y99 HydrophobicContact CG-CE2 4.13Å; R31-Y99 HydrophobicContact CG-CG 4.27Å; Q40-Y99 HydrophobicContact CB-CD1 3.71Å; Q40-Y99 HydrophobicContact CB-CG 4.1Å; Q40-Y99 HydrophobicContact CG-CD1 4.43Å; Q40-Y99 WeakPolarHBondContact O-CB 3.45Å; Y99-Q101 HydrophobicContact CD1-CG 4.07Å; Y99-Q101 HydrophobicContact CE1-CB 4.35Å; Y99-Q101 HydrophobicContact CE1-CG 3.86Å; Y99-Q155 PolarHBondContact O-OE1 3.08Å
100	C	95.4	Very high	92	Very high	13 Å²	13	41.7 Å²	41.7	9%	0.088	22%	0.22	C	C	.	.			trans	-95.1	111.2	177.4	-63.2	0	0	0	0	112.9	G102 G103 V153 L154 Q155	C100-G102 PolarHBondContact O-N 2.93Å; C100-G103 PolarHBondContact O-N 2.84Å; C100-V153 HydrophobicContact CB-CB 3.79Å; C100-V153 HydrophobicContact CB-CG2 3.61Å; C100-V153 WeakPolarHBondContact SG-CG2 3.45Å; C100-L154 CarbonylContact C-O 3.46Å; C100-L154 WeakPolarHBondContact CB-O 3.49Å; C100-Q155 VanDerWaalsContact CA-OE1 3.24Å; C100-Q155 HydrophobicContact CB-CB 4.48Å
101	Q	92.3	Very high	92.7	Very high	112 Å²	112	42.7 Å²	42.7	52%	0.523	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-27.9	-168.6	-63.4	173.7	-4.1	0	0	114.8	Y99 G103	Y99-Q101 HydrophobicContact CD1-CG 4.07Å; Y99-Q101 HydrophobicContact CE1-CB 4.35Å; Y99-Q101 HydrophobicContact CE1-CG 3.86Å; Q101-G103 PolarHBondContact O-N 3.28Å
102	G	90.8	Very high	93.1	Very high	41 Å²	41	36.1 Å²	36.1	42%	0.423	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.6	-176.7	0	0	0	0	0	114.6	C100 L154	C100-G102 PolarHBondContact O-N 2.93Å; G102-L154 WeakPolarHBondContact CA-O 3.25Å; G102-L154 PolarHBondContact N-O 2.63Å
103	G	92.7	Very high	93.4	Very high	18 Å²	18	40.2 Å²	40.2	19%	0.186	21%	0.211	C	C	.	.			trans	72.5	-159.9	-176.9	0	0	0	0	0	112.8	C100 Q101 V153 L154	C100-G103 PolarHBondContact O-N 2.84Å; Q101-G103 PolarHBondContact O-N 3.28Å; G103-V153 CarbonylContact O-C 3.54Å; G103-V153 VanDerWaalsContact O-CA 3.25Å; G103-V153 WeakPolarHBondContact O-CA 3.22Å; G103-L154 WeakPolarHBondContact O-CD1 3.48Å; G103-L154 PolarHBondContact O-N 3.23Å
104	D	93.4	Very high	93.8	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.144	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-96.9	154.2	-178.9	59.2	86.9	0	0	0	112.6	R106 K107 Y108 I152	D104-R106 PolarHBondContact O-N 3.36Å; D104-R106 WeakPolarHBondContact OD1-CA 3.39Å; D104-R106 VanDerWaalsContact OD1-CB 3.24Å; D104-R106 WeakPolarHBondContact OD1-CB 3.3Å; D104-R106 PolarHBondContact OD1-N 2.98Å; D104-K107 WeakPolarHBondContact O-CB 3.45Å; D104-K107 PolarHBondContact O-N 3.09Å; D104-K107 PolarHBondContact OD1-N 3.08Å; D104-K107 VanDerWaalsContact OD2-CD 3.27Å; D104-K107 WeakPolarHBondContact OD2-CD 3.35Å; D104-K107 WeakPolarHBondContact OD2-CE 3.49Å; D104-K107 WeakPolarHBondContact OD2-CG 3.42Å; D104-K107 IonicContact OD2-NZ 2.74Å; D104-K107 PolarHBondContact OD2-NZ 2.92Å; D104-Y108 PolarHBondContact O-N 2.76Å; D104-I152 CarbonylContact C-O 3.43Å; D104-I152 VanDerWaalsContact CA-O 3.3Å; D104-I152 WeakPolarHBondContact CA-O 3.27Å
105	L	96.3	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-29	-179.7	179.4	67.2	0	0	0	111.8	K107 Y108 L109 M118 L126 P149 I152 L154 L212	L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.37Å; L105-Y108 HydrophobicContact CD1-CD1 4.34Å; L105-Y108 WeakPolarHBondContact O-CB 3.34Å; L105-Y108 PolarHBondContact O-N 3.11Å; L105-Y108 VanDerWaalsContact O-N 3.15Å; L105-L109 HydrophobicContact CG-CD1 4.36Å; L105-L109 HydrophobicContact CG-CG 4.35Å; L105-L109 WeakPolarHBondContact O-CG 3.23Å; L105-L109 PolarHBondContact O-N 2.97Å; L105-M118 HydrophobicContact CD1-SD 4.01Å; L105-L126 HydrophobicContact CD1-CD1 4.49Å; L105-L126 HydrophobicContact CD2-CD1 3.79Å; L105-L126 HydrophobicContact CD2-CD2 4.32Å; L105-P149 HydrophobicContact CB-CB 4.25Å; L105-P149 WeakPolarHBondContact CB-O 3.47Å; L105-P149 HydrophobicContact CD2-CB 4.28Å; L105-P149 HydrophobicContact CG-CB 4.21Å; L105-P149 PolarHBondContact N-O 3.42Å; L105-I152 HydrophobicContact CB-CB 3.95Å; L105-I152 HydrophobicContact CB-CG2 4.08Å; L105-I152 HydrophobicContact CD2-CB 4.23Å; L105-I152 HydrophobicContact CD2-CD1 3.91Å; L105-I152 HydrophobicContact CD2-CG2 4.28Å; L105-I152 PolarHBondContact N-O 2.95Å; L105-L154 HydrophobicContact CB-CD1 4.47Å; L105-L212 HydrophobicContact CD2-CD1 4.47Å; L105-L212 HydrophobicContact CD2-CD2 3.98Å; L105-L212 HydrophobicContact CD2-CG 4.43Å
106	R	94.6	Very high	94.1	Very high	37 Å²	37	40.1 Å²	40.1	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-40.6	172.8	171.4	62.7	68.8	-151.7	-5.6	111.7	D104 Y108 L109 N110 P149 E150 Y189 E215	D104-R106 PolarHBondContact O-N 3.36Å; D104-R106 WeakPolarHBondContact OD1-CA 3.39Å; D104-R106 VanDerWaalsContact OD1-CB 3.24Å; D104-R106 WeakPolarHBondContact OD1-CB 3.3Å; D104-R106 PolarHBondContact OD1-N 2.98Å; R106-Y108 VanDerWaalsContact C-N 3.32Å; R106-L109 PolarHBondContact O-N 3.23Å; R106-N110 VanDerWaalsContact CD-ND2 3.34Å; R106-N110 WeakPolarHBondContact CD-ND2 3.37Å; R106-N110 WeakPolarHBondContact O-CB 3.46Å; R106-N110 VanDerWaalsContact O-CG 3.28Å; R106-N110 PolarHBondContact O-N 2.8Å; R106-N110 VanDerWaalsContact O-N 3.08Å; R106-N110 PolarHBondContact O-ND2 2.8Å; R106-P149 HydrophobicContact CB-CB 3.99Å; R106-P149 PolarHBondContact N-O 3.03Å; R106-E150 HydrophobicContact CB-CG 3.93Å; R106-E150 HydrophobicContact CG-CG 4.25Å; R106-E150 IonicContact CZ-OE1 3.86Å; R106-E150 IonicContact NE-OE1 3.87Å; R106-E150 PolarHBondContact NE-OE1 3.42Å; R106-E150 IonicContact NH2-OE1 2.77Å; R106-E150 PolarHBondContact NH2-OE1 3.44Å; R106-E150 VanDerWaalsContact NH2-OE1 3.1Å; R106-E150 IonicContact NH2-OE2 3.85Å; R106-Y189 PolarHBondContact NH2-OH 3.26Å; R106-E215 IonicContact CZ-OE1 2.72Å; R106-E215 IonicContact NH1-OE1 2.97Å; R106-E215 PolarHBondContact NH1-OE1 2.99Å; R106-E215 IonicContact NH1-OE2 2.78Å; R106-E215 IonicContact NH2-OE1 2.85Å
107	K	92.7	Very high	94.2	Very high	101 Å²	101	40.1 Å²	40.1	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-60.8	-43.4	172.7	-73.5	175.1	-175.8	125.1	0	111.2	D104 L105 N110 V111	D104-K107 WeakPolarHBondContact O-CB 3.45Å; D104-K107 PolarHBondContact O-N 3.09Å; D104-K107 PolarHBondContact OD1-N 3.08Å; D104-K107 VanDerWaalsContact OD2-CD 3.27Å; D104-K107 WeakPolarHBondContact OD2-CD 3.35Å; D104-K107 WeakPolarHBondContact OD2-CE 3.49Å; D104-K107 WeakPolarHBondContact OD2-CG 3.42Å; D104-K107 IonicContact OD2-NZ 2.74Å; D104-K107 PolarHBondContact OD2-NZ 2.92Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.37Å; K107-N110 PolarHBondContact O-N 3.35Å; K107-N110 VanDerWaalsContact O-N 3.15Å; K107-V111 PolarHBondContact O-N 3.36Å
108	Y	93.6	Very high	94.1	Very high	68 Å²	68	39.4 Å²	39.4	27%	0.267	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-44.1	178.7	-166.1	-100.9	0	0	0	112.4	D104 L105 R106 N110 V111 N114 M118 S122	D104-Y108 PolarHBondContact O-N 2.76Å; L105-Y108 HydrophobicContact CD1-CD1 4.34Å; L105-Y108 WeakPolarHBondContact O-CB 3.34Å; L105-Y108 PolarHBondContact O-N 3.11Å; L105-Y108 VanDerWaalsContact O-N 3.15Å; R106-Y108 VanDerWaalsContact C-N 3.32Å; Y108-N110 PolarHBondContact O-N 2.88Å; Y108-V111 WeakPolarHBondContact O-CB 3.23Å; Y108-V111 WeakPolarHBondContact O-CG2 3.42Å; Y108-V111 PolarHBondContact O-N 3.37Å; Y108-V111 VanDerWaalsContact O-N 3.14Å; Y108-N114 PolarHBondContact O-ND2 2.87Å; Y108-M118 HydrophobicContact CD1-CG 4.28Å; Y108-M118 HydrophobicContact CD1-SD 3.54Å; Y108-M118 VanDerWaalsContact CD1-SD 3.54Å; Y108-M118 HydrophobicContact CE1-CG 4.1Å; Y108-M118 HydrophobicContact CE1-SD 3.62Å; Y108-S122 PolarHBondContact OH-OG 3.29Å
109	L	94.4	Very high	94	Very high	16 Å²	16	42 Å²	42	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-26.1	173.5	-69	174.7	0	0	0	113.2	L105 R106 M118 P149 E215	L105-L109 HydrophobicContact CG-CD1 4.36Å; L105-L109 HydrophobicContact CG-CG 4.35Å; L105-L109 WeakPolarHBondContact O-CG 3.23Å; L105-L109 PolarHBondContact O-N 2.97Å; R106-L109 PolarHBondContact O-N 3.23Å; L109-M118 HydrophobicContact CD2-CG 3.84Å; L109-M118 HydrophobicContact CD2-SD 3.82Å; L109-P149 HydrophobicContact CD1-CB 3.83Å; L109-P149 HydrophobicContact CD1-CG 3.76Å; L109-E215 HydrophobicContact CD1-CG 4.28Å
110	N	93.1	Very high	93.8	Very high	78 Å²	78	40.6 Å²	40.6	42%	0.417	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.2	177.4	-77.1	-38	0	0	0	113.7	R106 K107 Y108 R573	R106-N110 VanDerWaalsContact CD-ND2 3.34Å; R106-N110 WeakPolarHBondContact CD-ND2 3.37Å; R106-N110 WeakPolarHBondContact O-CB 3.46Å; R106-N110 VanDerWaalsContact O-CG 3.28Å; R106-N110 PolarHBondContact O-N 2.8Å; R106-N110 VanDerWaalsContact O-N 3.08Å; R106-N110 PolarHBondContact O-ND2 2.8Å; K107-N110 PolarHBondContact O-N 3.35Å; K107-N110 VanDerWaalsContact O-N 3.15Å; Y108-N110 PolarHBondContact O-N 2.88Å; N110-R573 PolarHBondContact O-NH1 3.23Å; N110-R573 PolarHBondContact O-NH2 2.85Å
111	V	94.3	Very high	93.4	Very high	63 Å²	63	40.2 Å²	40.2	38%	0.382	21%	0.209	S	C	.	.	S	Bend	trans	-57.9	141.8	167.5	176.7	0	0	0	0	108.6	K107 Y108 E113 N114	K107-V111 PolarHBondContact O-N 3.36Å; Y108-V111 WeakPolarHBondContact O-CB 3.23Å; Y108-V111 WeakPolarHBondContact O-CG2 3.42Å; Y108-V111 PolarHBondContact O-N 3.37Å; Y108-V111 VanDerWaalsContact O-N 3.14Å; V111-E113 VanDerWaalsContact C-N 3.29Å; V111-E113 HydrophobicContact CG1-CB 4.35Å; V111-E113 PolarHBondContact O-N 2.97Å; V111-N114 PolarHBondContact O-N 3.46Å
112	L	93.4	Very high	93.4	Very high	32 Å²	32	35.7 Å²	35.7	17%	0.168	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-52.1	-52	-177.1	-73.4	164.2	0	0	0	110.3	N114 C115 W435 M566 F569 R570 R573	L112-N114 PolarHBondContact O-N 3.36Å; L112-C115 VanDerWaalsContact O-CB 3.28Å; L112-C115 WeakPolarHBondContact O-CB 3.44Å; L112-C115 PolarHBondContact O-N 3.42Å; L112-C115 PolarHBondContact O-SG 2.92Å; L112-W435 HydrophobicContact CB-CH2 3.62Å; L112-W435 HydrophobicContact CB-CZ3 3.88Å; L112-W435 WeakPolarHBondContact O-CZ3 3.38Å; L112-M566 HydrophobicContact CD1-SD 4.33Å; L112-F569 HydrophobicContact CD2-CD1 3.7Å; L112-F569 HydrophobicContact CD2-CE1 3.73Å; L112-R570 HydrophobicContact CD1-CB 4.06Å; L112-R570 HydrophobicContact CD1-CG 3.87Å; L112-R570 HydrophobicContact CD2-CB 4.23Å; L112-R570 HydrophobicContact CD2-CG 4.44Å; L112-R573 VanDerWaalsContact CA-NH1 3.25Å; L112-R573 VanDerWaalsContact CD2-NE 3.31Å
113	E	92.8	Very high	93.5	Very high	110 Å²	110	33.7 Å²	33.7	51%	0.514	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-59.8	-18.3	-172.4	-69	173.7	-154	0	0	115.2	V111 W435 R439	V111-E113 VanDerWaalsContact C-N 3.29Å; V111-E113 HydrophobicContact CG1-CB 4.35Å; V111-E113 PolarHBondContact O-N 2.97Å; E113-W435 VanDerWaalsContact CA-CH2 3.43Å; E113-W435 HydrophobicContact CB-CH2 4.29Å; E113-W435 HydrophobicContact CG-CH2 3.9Å; E113-W435 HydrophobicContact CG-CZ2 4.12Å; E113-R439 PolarHBondContact O-NH1 3.31Å
114	N	95.3	Very high	93.5	Very high	10 Å²	10	33 Å²	33	5%	0.053	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-95.6	9.9	-180	-67.1	-26.4	0	0	0	112.9	Y108 V111 L112 C116 G117	Y108-N114 PolarHBondContact O-ND2 2.87Å; V111-N114 PolarHBondContact O-N 3.46Å; L112-N114 PolarHBondContact O-N 3.36Å; N114-C116 PolarHBondContact O-N 3.42Å; N114-C116 VanDerWaalsContact O-N 3.09Å; N114-G117 WeakPolarHBondContact CA-O 3.4Å; N114-G117 PolarHBondContact O-N 2.94Å
115	C	94.9	Very high	93.5	Very high	30 Å²	30	32 Å²	32	20%	0.203	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.4	-178.2	66.1	0	0	0	0	114.6	L112 F569	L112-C115 VanDerWaalsContact O-CB 3.28Å; L112-C115 WeakPolarHBondContact O-CB 3.44Å; L112-C115 PolarHBondContact O-N 3.42Å; L112-C115 PolarHBondContact O-SG 2.92Å; C115-F569 HydrophobicContact CB-CE1 3.64Å; C115-F569 HydrophobicContact CB-CZ 3.5Å
116	C	95.9	Very high	93.4	Very high	5 Å²	5	32 Å²	32	3%	0.034	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	34.5	173.8	-61	0	0	0	0	111.3	N114 T218 P263 H436	N114-C116 PolarHBondContact O-N 3.42Å; N114-C116 VanDerWaalsContact O-N 3.09Å; C116-T218 CarbonylContact C-O 3.5Å; C116-P263 HydrophobicContact CB-CG 4.07Å; C116-H436 HydrophobicContact CB-CB 4.06Å
117	G	95.9	Very high	93.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.			trans	96.6	160.9	-178.3	0	0	0	0	0	113.5	N114 C216 I217 N265	N114-G117 WeakPolarHBondContact CA-O 3.4Å; N114-G117 PolarHBondContact O-N 2.94Å; G117-C216 CarbonylContact C-O 3.4Å; G117-C216 WeakPolarHBondContact CA-O 3.49Å; G117-I217 WeakPolarHBondContact CA-O 3.48Å; G117-N265 PolarHBondContact O-ND2 3.38Å
118	M	94.8	Very high	93.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.			trans	-76.7	166.4	176.6	-53.2	-174.6	-41.8	0	0	110.9	L105 Y108 L109 I123 L126 C216 N265	L105-M118 HydrophobicContact CD1-SD 4.01Å; Y108-M118 HydrophobicContact CD1-CG 4.28Å; Y108-M118 HydrophobicContact CD1-SD 3.54Å; Y108-M118 VanDerWaalsContact CD1-SD 3.54Å; Y108-M118 HydrophobicContact CE1-CG 4.1Å; Y108-M118 HydrophobicContact CE1-SD 3.62Å; L109-M118 HydrophobicContact CD2-CG 3.84Å; L109-M118 HydrophobicContact CD2-SD 3.82Å; M118-I123 HydrophobicContact CB-CD1 4.47Å; M118-I123 HydrophobicContact CB-CG1 4Å; M118-I123 HydrophobicContact CE-CG1 3.87Å; M118-I123 WeakPolarHBondContact O-CD1 3.35Å; M118-L126 HydrophobicContact CE-CD2 4.02Å; M118-C216 HydrophobicContact CE-CB 3.66Å; M118-C216 PolarHBondContact N-O 3.42Å; M118-C216 HydrophobicContact SD-CB 4.32Å; M118-N265 WeakPolarHBondContact O-CB 3.42Å; M118-N265 PolarHBondContact O-ND2 2.91Å
119	R	91.7	Very high	93.7	Very high	83 Å²	83	24.2 Å²	24.2	31%	0.313	12%	0.123	S	C	.	.			trans	-65.1	150.7	171.1	-65.7	-68.3	-170.5	178	1.3	110.8	G121 S122 I123 E443	R119-G121 PolarHBondContact O-N 3.46Å; R119-S122 WeakPolarHBondContact O-CB 3.25Å; R119-S122 PolarHBondContact O-N 3.25Å; R119-S122 VanDerWaalsContact O-N 3.12Å; R119-I123 WeakPolarHBondContact O-CG1 3.34Å; R119-I123 PolarHBondContact O-N 2.93Å; R119-I123 VanDerWaalsContact O-N 3.08Å; R119-E443 IonicContact CZ-OE1 3.99Å; R119-E443 VanDerWaalsContact CZ-OE1 3.25Å; R119-E443 IonicContact CZ-OE2 2.67Å; R119-E443 VanDerWaalsContact NH1-CD 3.31Å; R119-E443 IonicContact NH1-OE1 2.73Å; R119-E443 PolarHBondContact NH1-OE1 2.87Å; R119-E443 IonicContact NH1-OE2 3.34Å; R119-E443 PolarHBondContact NH1-OE2 2.92Å; R119-E443 IonicContact NH2-OE1 2.8Å; R119-E443 PolarHBondContact NH2-OE1 2.89Å
120	E	91.1	Very high	93.9	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.037	12%	0.119	C	C	.	.	H	α-helix	trans	-50.6	-50.4	-178.8	177.9	175.7	104.3	0	0	113.1	S122 I123 L124 L266 N267 L270 Y375 Y385	E120-S122 VanDerWaalsContact C-N 3.32Å; E120-S122 PolarHBondContact O-N 3.48Å; E120-I123 WeakPolarHBondContact O-CB 3.44Å; E120-I123 PolarHBondContact O-N 3.09Å; E120-L124 HydrophobicContact CG-CD1 4.05Å; E120-L124 WeakPolarHBondContact O-CG 3.27Å; E120-L124 PolarHBondContact O-N 2.93Å; E120-L266 HydrophobicContact CB-CD2 4.33Å; E120-L266 HydrophobicContact CG-CD2 4.1Å; E120-N267 VanDerWaalsContact CD-ND2 3.32Å; E120-N267 PolarHBondContact OE1-ND2 2.86Å; E120-N267 VanDerWaalsContact OE2-CB 3.22Å; E120-N267 WeakPolarHBondContact OE2-CB 3.45Å; E120-N267 PolarHBondContact OE2-N 3.24Å; E120-N267 PolarHBondContact OE2-ND2 3.23Å; E120-L270 VanDerWaalsContact CD-CD1 3.47Å; E120-L270 HydrophobicContact CG-CD1 3.68Å; E120-Y375 PolarHBondContact OE1-OH 3.44Å; E120-Y385 WeakPolarHBondContact CB-OH 3.33Å; E120-Y385 PolarHBondContact OE1-OH 2.77Å
121	G	87.9	Confident	94	Very high	6 Å²	6	20.5 Å²	20.5	6%	0.062	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-41	179.7	0	0	0	0	0	112.8	R119 I123 L124 I125 Y385	R119-G121 PolarHBondContact O-N 3.46Å; G121-I123 VanDerWaalsContact C-N 3.32Å; G121-I123 PolarHBondContact O-N 3.36Å; G121-L124 PolarHBondContact O-N 3.14Å; G121-I125 VanDerWaalsContact O-CG1 3.25Å; G121-I125 WeakPolarHBondContact O-CG1 3.44Å; G121-I125 PolarHBondContact O-N 3.16Å; G121-Y385 WeakPolarHBondContact CA-OH 3.47Å; G121-Y385 PolarHBondContact N-OH 3.14Å
122	S	91.3	Very high	94.1	Very high	16 Å²	16	19.6 Å²	19.6	11%	0.112	10%	0.101	C	C	.	.	H	α-helix	trans	-63.8	-36.9	175.3	-54.1	0	0	0	0	112.3	Y108 R119 E120 L126	Y108-S122 PolarHBondContact OH-OG 3.29Å; R119-S122 WeakPolarHBondContact O-CB 3.25Å; R119-S122 PolarHBondContact O-N 3.25Å; R119-S122 VanDerWaalsContact O-N 3.12Å; E120-S122 VanDerWaalsContact C-N 3.32Å; E120-S122 PolarHBondContact O-N 3.48Å; S122-L126 WeakPolarHBondContact O-CB 3.43Å; S122-L126 PolarHBondContact O-N 2.65Å
123	I	94.3	Very high	94.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-44.5	176.8	-65.1	161.9	0	0	0	110.3	M118 R119 E120 G121 L126 L127 I217 L266	M118-I123 HydrophobicContact CB-CD1 4.47Å; M118-I123 HydrophobicContact CB-CG1 4Å; M118-I123 HydrophobicContact CE-CG1 3.87Å; M118-I123 WeakPolarHBondContact O-CD1 3.35Å; R119-I123 WeakPolarHBondContact O-CG1 3.34Å; R119-I123 PolarHBondContact O-N 2.93Å; R119-I123 VanDerWaalsContact O-N 3.08Å; E120-I123 WeakPolarHBondContact O-CB 3.44Å; E120-I123 PolarHBondContact O-N 3.09Å; G121-I123 VanDerWaalsContact C-N 3.32Å; G121-I123 PolarHBondContact O-N 3.36Å; I123-L126 WeakPolarHBondContact O-CB 3.5Å; I123-L126 PolarHBondContact O-N 3.19Å; I123-L127 HydrophobicContact CG2-CD1 3.92Å; I123-L127 HydrophobicContact CG2-CG 4.4Å; I123-L127 WeakPolarHBondContact O-CB 3.28Å; I123-L127 VanDerWaalsContact O-CG 3.32Å; I123-L127 WeakPolarHBondContact O-CG 3.45Å; I123-L127 PolarHBondContact O-N 3.22Å; I123-I217 HydrophobicContact CD1-CB 4.5Å; I123-I217 HydrophobicContact CD1-CG1 4.03Å; I123-I217 HydrophobicContact CG2-CG1 4.01Å; I123-L266 HydrophobicContact CD1-CD2 3.83Å; I123-L266 HydrophobicContact CD1-CG 4.3Å; I123-L266 HydrophobicContact CG2-CD2 4.46Å
124	L	92.7	Very high	94.5	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	7%	0.069	C	C	.	.	H	α-helix	trans	-68.2	-40	-179.5	-64.4	171.1	0	0	0	112	E120 G121 L126 L127 R128 L270 L308 Y375	E120-L124 HydrophobicContact CG-CD1 4.05Å; E120-L124 WeakPolarHBondContact O-CG 3.27Å; E120-L124 PolarHBondContact O-N 2.93Å; G121-L124 PolarHBondContact O-N 3.14Å; L124-L126 PolarHBondContact O-N 3.5Å; L124-L127 HydrophobicContact CD2-CD1 4.33Å; L124-L127 PolarHBondContact O-N 3.3Å; L124-R128 WeakPolarHBondContact O-CB 3.31Å; L124-R128 PolarHBondContact O-N 3.41Å; L124-L270 HydrophobicContact CD1-CD1 3.89Å; L124-L270 HydrophobicContact CD2-CD1 4.22Å; L124-L270 HydrophobicContact CD2-CD2 4.44Å; L124-L270 HydrophobicContact CG-CD1 4.47Å; L124-L308 HydrophobicContact CB-CD2 4.3Å; L124-L308 HydrophobicContact CD2-CD2 4.09Å; L124-Y375 HydrophobicContact CD1-CD1 3.11Å; L124-Y375 HydrophobicContact CD1-CD2 3.97Å; L124-Y375 HydrophobicContact CD1-CE1 3.4Å; L124-Y375 VanDerWaalsContact CD1-CE1 3.4Å; L124-Y375 HydrophobicContact CD1-CE2 4.18Å; L124-Y375 HydrophobicContact CD1-CG 3.42Å; L124-Y375 VanDerWaalsContact CD1-CG 3.42Å
125	I	92.1	Very high	94.5	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-45.1	173.3	-67.4	168.4	0	0	0	110.7	G121 R128 D129 R160 V378	G121-I125 VanDerWaalsContact O-CG1 3.25Å; G121-I125 WeakPolarHBondContact O-CG1 3.44Å; G121-I125 PolarHBondContact O-N 3.16Å; I125-R128 PolarHBondContact O-N 3.15Å; I125-D129 WeakPolarHBondContact CG2-OD2 3.32Å; I125-D129 VanDerWaalsContact O-CB 3.31Å; I125-D129 WeakPolarHBondContact O-CB 3.32Å; I125-D129 PolarHBondContact O-N 3.44Å; I125-R160 VanDerWaalsContact CG2-NH1 3.27Å; I125-V378 HydrophobicContact CD1-CG1 4.3Å
126	L	95.5	Very high	94.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.2	-47.9	175.1	175.3	77.9	0	0	0	111.2	L105 M118 S122 I123 L124 R128 D129 I130 I152 H163 L212 C216	L105-L126 HydrophobicContact CD1-CD1 4.49Å; L105-L126 HydrophobicContact CD2-CD1 3.79Å; L105-L126 HydrophobicContact CD2-CD2 4.32Å; M118-L126 HydrophobicContact CE-CD2 4.02Å; S122-L126 WeakPolarHBondContact O-CB 3.43Å; S122-L126 PolarHBondContact O-N 2.65Å; I123-L126 WeakPolarHBondContact O-CB 3.5Å; I123-L126 PolarHBondContact O-N 3.19Å; L124-L126 PolarHBondContact O-N 3.5Å; L126-R128 PolarHBondContact O-N 3.43Å; L126-D129 PolarHBondContact O-N 3.05Å; L126-I130 HydrophobicContact CD1-CD1 4.48Å; L126-I130 HydrophobicContact CD1-CG1 3.64Å; L126-I130 HydrophobicContact CG-CG1 4.23Å; L126-I130 WeakPolarHBondContact O-CB 3.13Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.45Å; L126-I130 PolarHBondContact O-N 2.97Å; L126-I152 HydrophobicContact CD1-CD1 4.26Å; L126-I152 HydrophobicContact CD1-CG2 4.44Å; L126-H163 HydrophobicContact CD1-CB 4.33Å; L126-H163 VanDerWaalsContact CD1-CD2 3.49Å; L126-H163 WeakPolarHBondContact CD1-CD2 3.43Å; L126-L212 HydrophobicContact CD2-CD2 3.83Å; L126-C216 HydrophobicContact CD2-CB 3.9Å; L126-C216 WeakPolarHBondContact CD2-SG 3.46Å
127	L	96.4	Very high	94.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-46.1	179.8	-79.9	169.4	0	0	0	111.8	I123 L124 S131 F209 V213 L274 W277 L304 L308	I123-L127 HydrophobicContact CG2-CD1 3.92Å; I123-L127 HydrophobicContact CG2-CG 4.4Å; I123-L127 WeakPolarHBondContact O-CB 3.28Å; I123-L127 VanDerWaalsContact O-CG 3.32Å; I123-L127 WeakPolarHBondContact O-CG 3.45Å; I123-L127 PolarHBondContact O-N 3.22Å; L124-L127 HydrophobicContact CD2-CD1 4.33Å; L124-L127 PolarHBondContact O-N 3.3Å; L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 2.98Å; L127-S131 PolarHBondContact O-OG 3.15Å; L127-F209 HydrophobicContact CD2-CE2 4.45Å; L127-F209 HydrophobicContact CD2-CZ 3.91Å; L127-V213 HydrophobicContact CD2-CB 4.36Å; L127-V213 HydrophobicContact CD2-CG1 3.88Å; L127-V213 HydrophobicContact CD2-CG2 3.52Å; L127-V213 HydrophobicContact CG-CG2 4.48Å; L127-L274 HydrophobicContact CD1-CD1 4.16Å; L127-L274 HydrophobicContact CD1-CD2 3.67Å; L127-W277 HydrophobicContact CD2-CH2 3.95Å; L127-W277 HydrophobicContact CD2-CZ2 4.49Å; L127-W277 HydrophobicContact CD2-CZ3 4.16Å; L127-L304 HydrophobicContact CB-CD1 4.17Å; L127-L304 HydrophobicContact CB-CD2 4.4Å; L127-L304 HydrophobicContact CD1-CD1 4.07Å; L127-L304 HydrophobicContact CD2-CD1 3.92Å; L127-L304 HydrophobicContact CD2-CD2 4.11Å; L127-L304 HydrophobicContact CG-CD1 4.29Å; L127-L308 HydrophobicContact CB-CD2 4.33Å
128	R	94.5	Very high	94.4	Very high	42 Å²	42	17 Å²	17	16%	0.158	9%	0.087	C	C	.	.	H	α-helix	trans	-61	-52.6	175.7	179	-176.3	62.4	-163.5	-18.6	111.6	L124 I125 L126 S131 S132 R160 L308 M376	L124-R128 WeakPolarHBondContact O-CB 3.31Å; L124-R128 PolarHBondContact O-N 3.41Å; I125-R128 PolarHBondContact O-N 3.15Å; L126-R128 PolarHBondContact O-N 3.43Å; R128-S131 PolarHBondContact O-OG 3.31Å; R128-S132 VanDerWaalsContact O-CB 3.24Å; R128-S132 WeakPolarHBondContact O-CB 3.45Å; R128-S132 PolarHBondContact O-N 3.42Å; R128-S132 VanDerWaalsContact O-N 3.13Å; R128-R160 VanDerWaalsContact NH2-CD 3.26Å; R128-L308 HydrophobicContact CB-CD1 4Å; R128-L308 HydrophobicContact CB-CD2 4.39Å; R128-M376 PolarHBondContact NH1-O 3.05Å
129	D	96	Very high	94.3	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-65.2	-45.3	-173	-75.8	-16.8	0	0	0	111.9	N72 I125 L126 A133 R160 H163	N72-D129 WeakPolarHBondContact CB-O 3.28Å; N72-D129 WeakPolarHBondContact ND2-CA 3.5Å; N72-D129 WeakPolarHBondContact ND2-CB 3.43Å; N72-D129 PolarHBondContact ND2-OD1 2.92Å; N72-D129 PolarHBondContact OD1-O 3.44Å; I125-D129 WeakPolarHBondContact CG2-OD2 3.32Å; I125-D129 VanDerWaalsContact O-CB 3.31Å; I125-D129 WeakPolarHBondContact O-CB 3.32Å; I125-D129 PolarHBondContact O-N 3.44Å; L126-D129 PolarHBondContact O-N 3.05Å; D129-A133 PolarHBondContact O-N 2.8Å; D129-R160 VanDerWaalsContact CG-NH1 3.32Å; D129-R160 IonicContact OD1-CZ 3.76Å; D129-R160 IonicContact OD1-NH1 3.94Å; D129-R160 PolarHBondContact OD1-NH1 3.23Å; D129-R160 IonicContact OD1-NH2 3.23Å; D129-R160 PolarHBondContact OD1-NH2 2.87Å; D129-R160 IonicContact OD2-CZ 3.99Å; D129-R160 IonicContact OD2-NH1 3.19Å; D129-R160 PolarHBondContact OD2-NH1 3.31Å; D129-R160 IonicContact OD2-NH2 2.76Å; D129-H163 HydrophobicContact CB-CB 3.76Å; D129-H163 IonicContact OD2-CG 2.72Å; D129-H163 PolarHBondContact OD2-N 3.4Å; D129-H163 IonicContact OD2-ND1 3.79Å; D129-H163 PolarHBondContact OD2-ND1 3.48Å
130	I	97.8	Very high	94.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-80.3	-33.9	-174.1	-58.7	-58.9	0	0	0	111.9	L126 S132 A133 L134 L147 I152 H163 I165 F209	L126-I130 HydrophobicContact CD1-CD1 4.48Å; L126-I130 HydrophobicContact CD1-CG1 3.64Å; L126-I130 HydrophobicContact CG-CG1 4.23Å; L126-I130 WeakPolarHBondContact O-CB 3.13Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.45Å; L126-I130 PolarHBondContact O-N 2.97Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-A133 PolarHBondContact O-N 3.14Å; I130-L134 HydrophobicContact CG2-CD1 4.21Å; I130-L134 HydrophobicContact CG2-CG 4.42Å; I130-L134 WeakPolarHBondContact O-CB 3.4Å; I130-L134 WeakPolarHBondContact O-CG 3.47Å; I130-L134 PolarHBondContact O-N 3.43Å; I130-L147 HydrophobicContact CG2-CD2 4.38Å; I130-I152 HydrophobicContact CD1-CD1 3.68Å; I130-I152 HydrophobicContact CD1-CG1 3.97Å; I130-I152 HydrophobicContact CD1-CG2 3.89Å; I130-I152 HydrophobicContact CG1-CD1 3.89Å; I130-I152 HydrophobicContact CG2-CD1 4.45Å; I130-H163 HydrophobicContact CD1-CB 3.88Å; I130-H163 HydrophobicContact CG1-CB 4.26Å; I130-I165 HydrophobicContact CD1-CG1 3.96Å; I130-I165 HydrophobicContact CG2-CD1 4.41Å; I130-F209 HydrophobicContact CB-CD2 4.47Å; I130-F209 HydrophobicContact CB-CE2 3.75Å; I130-F209 HydrophobicContact CB-CZ 4.09Å; I130-F209 HydrophobicContact CG2-CD2 3.7Å; I130-F209 HydrophobicContact CG2-CE2 3.47Å; I130-F209 VanDerWaalsContact CG2-CE2 3.47Å; I130-F209 HydrophobicContact CG2-CG 4.46Å; I130-F209 HydrophobicContact CG2-CZ 4.05Å
131	S	96.3	Very high	94.3	Very high	15 Å²	15	28.7 Å²	28.7	11%	0.105	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-40.9	172.5	64.8	0	0	0	0	111.6	L127 R128 L134 T135	L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 2.98Å; L127-S131 PolarHBondContact O-OG 3.15Å; R128-S131 PolarHBondContact O-OG 3.31Å; S131-L134 PolarHBondContact O-N 3.26Å; S131-T135 WeakPolarHBondContact O-CB 3.41Å; S131-T135 PolarHBondContact O-N 3.28Å; S131-T135 PolarHBondContact O-OG1 3.29Å
132	S	96.4	Very high	94.4	Very high	45 Å²	45	28.4 Å²	28.4	32%	0.315	14%	0.144	S	C	.	.	H	α-helix	trans	-60.2	-48.2	173.4	-175.3	0	0	0	0	111.7	H70 R128 I130 L134 T135 Y136	H70-S132 PolarHBondContact CE1-OG 3.3Å; H70-S132 PolarHBondContact NE2-OG 3.06Å; R128-S132 VanDerWaalsContact O-CB 3.24Å; R128-S132 WeakPolarHBondContact O-CB 3.45Å; R128-S132 PolarHBondContact O-N 3.42Å; R128-S132 VanDerWaalsContact O-N 3.13Å; I130-S132 VanDerWaalsContact C-N 3.34Å; S132-L134 PolarHBondContact O-N 2.65Å; S132-T135 PolarHBondContact O-N 3.45Å; S132-Y136 WeakPolarHBondContact O-CB 3.33Å; S132-Y136 PolarHBondContact O-N 3.07Å
133	A	97.4	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-45.7	176.1	0	0	0	0	0	113.2	N72 V73 D129 I130 Y136 L137 I165	N72-A133 HydrophobicContact CB-CB 3.71Å; N72-A133 WeakPolarHBondContact O-CB 3.49Å; V73-A133 HydrophobicContact CG2-CB 4.14Å; D129-A133 PolarHBondContact O-N 2.8Å; I130-A133 PolarHBondContact O-N 3.14Å; A133-Y136 WeakPolarHBondContact O-CB 3.45Å; A133-Y136 PolarHBondContact O-N 2.75Å; A133-L137 WeakPolarHBondContact O-CG 3.47Å; A133-L137 PolarHBondContact O-N 3.01Å; A133-I165 HydrophobicContact CB-CD1 3.52Å; A133-I165 HydrophobicContact CB-CG1 3.89Å
134	L	96.3	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-43.3	179.3	-76.8	175.1	0	0	0	111.7	I130 S131 S132 Y136 L137 H138 L147 I165 D205 F209 F301	I130-L134 HydrophobicContact CG2-CD1 4.21Å; I130-L134 HydrophobicContact CG2-CG 4.42Å; I130-L134 WeakPolarHBondContact O-CB 3.4Å; I130-L134 WeakPolarHBondContact O-CG 3.47Å; I130-L134 PolarHBondContact O-N 3.43Å; S131-L134 PolarHBondContact O-N 3.26Å; S132-L134 PolarHBondContact O-N 2.65Å; L134-Y136 VanDerWaalsContact C-N 3.3Å; L134-Y136 PolarHBondContact O-N 2.98Å; L134-L137 PolarHBondContact O-N 2.84Å; L134-H138 WeakPolarHBondContact O-CB 3.47Å; L134-H138 PolarHBondContact O-CD2 2.83Å; L134-H138 PolarHBondContact O-N 2.95Å; L134-L147 HydrophobicContact CD1-CD2 3.97Å; L134-L147 HydrophobicContact CD2-CD2 4.33Å; L134-I165 HydrophobicContact CD2-CD1 4.15Å; L134-I165 HydrophobicContact CG-CD1 4.2Å; L134-D205 HydrophobicContact CD2-CB 4.1Å; L134-F209 HydrophobicContact CD1-CB 3.9Å; L134-F209 HydrophobicContact CD1-CD1 3.76Å; L134-F209 HydrophobicContact CD1-CD2 4.49Å; L134-F209 HydrophobicContact CD1-CE1 4.43Å; L134-F209 HydrophobicContact CD1-CG 3.82Å; L134-F301 HydrophobicContact CB-CE1 4.49Å; L134-F301 HydrophobicContact CB-CZ 4.12Å
135	T	95.1	Very high	94	Very high	67 Å²	67	28.4 Å²	28.4	41%	0.411	14%	0.142	S	C	.	.	H	α-helix	trans	-58.4	-45.2	175.6	-57.3	0	0	0	0	110.5	S131 S132 H138 S139	S131-T135 WeakPolarHBondContact O-CB 3.41Å; S131-T135 PolarHBondContact O-N 3.28Å; S131-T135 PolarHBondContact O-OG1 3.29Å; S132-T135 PolarHBondContact O-N 3.45Å; T135-H138 PolarHBondContact O-N 3.49Å; T135-S139 WeakPolarHBondContact O-CB 3.49Å; T135-S139 PolarHBondContact O-N 2.92Å
136	Y	96.3	Very high	93.8	Very high	36 Å²	36	28.4 Å²	28.4	14%	0.141	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-52.1	174.7	175.7	-100.6	0	0	0	112.4	L68 D69 H70 V73 S132 A133 L134 H138 S139 K140	L68-Y136 HydrophobicContact CB-CE1 4.22Å; L68-Y136 HydrophobicContact CD2-CE1 3.59Å; L68-Y136 HydrophobicContact CG-CE1 4.42Å; D69-Y136 PolarHBondContact N-OH 2.96Å; D69-Y136 WeakPolarHBondContact O-CE2 3.46Å; D69-Y136 VanDerWaalsContact O-CZ 3.23Å; D69-Y136 PolarHBondContact O-OH 3.42Å; H70-Y136 HydrophobicContact CB-CD1 3.58Å; H70-Y136 HydrophobicContact CB-CD2 4.11Å; H70-Y136 HydrophobicContact CB-CE1 3.66Å; H70-Y136 HydrophobicContact CB-CE2 4.17Å; H70-Y136 HydrophobicContact CB-CG 3.81Å; H70-Y136 AromaticContact CD2-CD2 3.73Å; H70-Y136 AromaticContact CD2-CG 3.68Å; H70-Y136 AromaticContact CG-CD1 3.93Å; H70-Y136 AromaticContact CG-CG 3.73Å; V73-Y136 HydrophobicContact CG2-CD1 4.21Å; S132-Y136 WeakPolarHBondContact O-CB 3.33Å; S132-Y136 PolarHBondContact O-N 3.07Å; A133-Y136 WeakPolarHBondContact O-CB 3.45Å; A133-Y136 PolarHBondContact O-N 2.75Å; L134-Y136 VanDerWaalsContact C-N 3.3Å; L134-Y136 PolarHBondContact O-N 2.98Å; Y136-H138 VanDerWaalsContact C-N 3.34Å; Y136-H138 PolarHBondContact O-N 3Å; Y136-S139 PolarHBondContact O-N 2.9Å; Y136-S139 PolarHBondContact O-OG 3.25Å; Y136-K140 HydrophobicContact CE1-CG 4.36Å; Y136-K140 HydrophobicContact CE2-CG 4.34Å; Y136-K140 WeakPolarHBondContact O-CG 3.35Å; Y136-K140 PolarHBondContact O-N 3.4Å; Y136-K140 VanDerWaalsContact O-N 3.11Å
137	L	94.8	Very high	93.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-44.3	179.6	-70.2	175.6	0	0	0	111.8	L68 V73 A133 L134 S139 K140 R141 I142 I165 L168	L68-L137 HydrophobicContact CD1-CD2 3.74Å; L68-L137 HydrophobicContact CD2-CD2 4.16Å; V73-L137 HydrophobicContact CG2-CD2 4.38Å; V73-L137 HydrophobicContact CG2-CG 4.41Å; A133-L137 WeakPolarHBondContact O-CG 3.47Å; A133-L137 PolarHBondContact O-N 3.01Å; L134-L137 PolarHBondContact O-N 2.84Å; L137-S139 PolarHBondContact O-N 3.32Å; L137-K140 CarbonylContact O-C 3.58Å; L137-K140 WeakPolarHBondContact O-CA 3.32Å; L137-K140 PolarHBondContact O-N 3.46Å; L137-K140 VanDerWaalsContact O-N 3.12Å; L137-R141 PolarHBondContact O-N 3.32Å; L137-I142 CarbonylContact C-O 3.53Å; L137-I142 HydrophobicContact CB-CB 4.4Å; L137-I142 HydrophobicContact CD2-CB 4.48Å; L137-I142 HydrophobicContact CD2-CD1 4.41Å; L137-I142 HydrophobicContact CD2-CG2 4.29Å; L137-I142 WeakPolarHBondContact O-CB 3.42Å; L137-I142 PolarHBondContact O-N 3.36Å; L137-I165 HydrophobicContact CD1-CD1 4.22Å; L137-I165 HydrophobicContact CD1-CG2 4.47Å; L137-L168 HydrophobicContact CD1-CD2 4.4Å; L137-L168 HydrophobicContact CD2-CD1 4.47Å
138	H	93.6	Very high	93.5	Very high	28 Å²	28	29.6 Å²	29.6	13%	0.13	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-37	179.8	-67	-177.2	0	0	0	111.4	L134 T135 Y136 K140 R141 I142 V202 D205 Y206	L134-H138 WeakPolarHBondContact O-CB 3.47Å; L134-H138 PolarHBondContact O-CD2 2.83Å; L134-H138 PolarHBondContact O-N 2.95Å; T135-H138 PolarHBondContact O-N 3.49Å; Y136-H138 VanDerWaalsContact C-N 3.34Å; Y136-H138 PolarHBondContact O-N 3Å; H138-K140 PolarHBondContact O-N 3.09Å; H138-R141 WeakPolarHBondContact O-CA 3.38Å; H138-R141 PolarHBondContact O-N 3.36Å; H138-I142 PolarHBondContact CD2-O 3.4Å; H138-I142 VanDerWaalsContact CD2-O 3.31Å; H138-V202 HydrophobicContact CB-CG1 4.46Å; H138-D205 IonicContact CD2-OD2 3.76Å; H138-D205 IonicContact CE1-OD2 2.89Å; H138-D205 IonicContact NE2-OD2 3.81Å; H138-D205 PolarHBondContact NE2-OD2 3.38Å; H138-Y206 AromaticContact CE1-CE1 3.55Å; H138-Y206 AromaticContact ND1-CE1 3.74Å
139	S	93.6	Very high	93.5	Very high	83 Å²	83	27.6 Å²	27.6	58%	0.58	14%	0.139	S	C	*	.	H	α-helix	trans	-61.9	-32	172.5	82.5	0	0	0	0	112.7	T135 Y136 L137 R141	T135-S139 WeakPolarHBondContact O-CB 3.49Å; T135-S139 PolarHBondContact O-N 2.92Å; Y136-S139 PolarHBondContact O-N 2.9Å; Y136-S139 PolarHBondContact O-OG 3.25Å; L137-S139 PolarHBondContact O-N 3.32Å; S139-R141 PolarHBondContact O-N 3.49Å
140	K	92.4	Very high	93.3	Very high	110 Å²	110	30.8 Å²	30.8	48%	0.478	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	10	173.1	-62.2	-63.5	-176.2	178.8	0	112.9	L68 Y136 L137 H138 I142	L68-K140 HydrophobicContact CD2-CG 4.4Å; Y136-K140 HydrophobicContact CE1-CG 4.36Å; Y136-K140 HydrophobicContact CE2-CG 4.34Å; Y136-K140 WeakPolarHBondContact O-CG 3.35Å; Y136-K140 PolarHBondContact O-N 3.4Å; Y136-K140 VanDerWaalsContact O-N 3.11Å; L137-K140 CarbonylContact O-C 3.58Å; L137-K140 WeakPolarHBondContact O-CA 3.32Å; L137-K140 PolarHBondContact O-N 3.46Å; L137-K140 VanDerWaalsContact O-N 3.12Å; H138-K140 PolarHBondContact O-N 3.09Å; K140-I142 VanDerWaalsContact C-N 3.28Å; K140-I142 HydrophobicContact CB-CD1 3.87Å; K140-I142 HydrophobicContact CB-CG1 4.38Å; K140-I142 PolarHBondContact O-N 3.33Å
141	R	89.8	Confident	93.2	Very high	144 Å²	144	31.1 Å²	31.1	54%	0.543	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	32.3	-179.6	-63.5	-173.9	-179.2	179.2	1.7	113.9	L137 H138 S139 E173 L174	L137-R141 PolarHBondContact O-N 3.32Å; H138-R141 WeakPolarHBondContact O-CA 3.38Å; H138-R141 PolarHBondContact O-N 3.36Å; S139-R141 PolarHBondContact O-N 3.49Å; R141-E173 CarbonylContact O-C 3.5Å; R141-E173 WeakPolarHBondContact O-CA 3.42Å; R141-L174 HydrophobicContact CB-CB 4.12Å; R141-L174 PolarHBondContact O-N 2.99Å
142	I	90.3	Very high	93.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.7	179.4	-63.1	159	0	0	0	109.3	I64 L68 L137 H138 K140 A171	I64-I142 HydrophobicContact CG2-CD1 3.81Å; I64-I142 HydrophobicContact CG2-CG1 4.49Å; L68-I142 HydrophobicContact CD1-CD1 4.35Å; L68-I142 HydrophobicContact CD2-CD1 3.58Å; L68-I142 HydrophobicContact CG-CD1 4.41Å; L137-I142 CarbonylContact C-O 3.53Å; L137-I142 HydrophobicContact CB-CB 4.4Å; L137-I142 HydrophobicContact CD2-CB 4.48Å; L137-I142 HydrophobicContact CD2-CD1 4.41Å; L137-I142 HydrophobicContact CD2-CG2 4.29Å; L137-I142 WeakPolarHBondContact O-CB 3.42Å; L137-I142 PolarHBondContact O-N 3.36Å; H138-I142 PolarHBondContact CD2-O 3.4Å; H138-I142 VanDerWaalsContact CD2-O 3.31Å; K140-I142 VanDerWaalsContact C-N 3.28Å; K140-I142 HydrophobicContact CB-CD1 3.87Å; K140-I142 HydrophobicContact CB-CG1 4.38Å; K140-I142 PolarHBondContact O-N 3.33Å; I142-A171 HydrophobicContact CG2-CB 3.87Å
143	I	90.6	Very high	93.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.6	169.9	-53.7	-179.6	0	0	0	108.8	R145 A171 K172 L174 V202 V204 D205	I143-R145 HydrophobicContact CB-CG 4.15Å; I143-R145 HydrophobicContact CG2-CG 3.53Å; I143-A171 CarbonylContact O-C 3.59Å; I143-A171 WeakPolarHBondContact O-CA 3.47Å; I143-A171 WeakPolarHBondContact O-CB 3.41Å; I143-K172 PolarHBondContact N-O 2.87Å; I143-K172 PolarHBondContact O-N 3.48Å; I143-L174 HydrophobicContact CD1-CD1 4.02Å; I143-L174 HydrophobicContact CD1-CD2 3.66Å; I143-L174 HydrophobicContact CD1-CG 4.04Å; I143-L174 HydrophobicContact CG1-CD1 4.03Å; I143-L174 HydrophobicContact CG1-CD2 4.32Å; I143-L174 HydrophobicContact CG1-CG 4.15Å; I143-V202 HydrophobicContact CD1-CG1 4.14Å; I143-V202 HydrophobicContact CG1-CG1 3.92Å; I143-V204 HydrophobicContact CG2-CG2 3.63Å; I143-D205 WeakPolarHBondContact CG2-OD2 3.47Å
144	H	90.9	Very high	93.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.			trans	-74.2	-47.8	-176.6	-172.5	-79.2	0	0	0	113.1	D146 L147 I165 I166 Y170 D205	H144-D146 VanDerWaalsContact CE1-C 3.41Å; H144-D146 PolarHBondContact CE1-O 3.48Å; H144-D146 VanDerWaalsContact CE1-O 3.29Å; H144-D146 PolarHBondContact ND1-N 2.9Å; H144-D146 PolarHBondContact O-N 3.06Å; H144-L147 PolarHBondContact ND1-N 2.98Å; H144-L147 VanDerWaalsContact ND1-N 3.1Å; H144-I165 WeakPolarHBondContact CD2-CG2 3.37Å; H144-I165 WeakPolarHBondContact NE2-CG2 3.29Å; H144-I166 PolarHBondContact NE2-O 3.39Å; H144-I166 VanDerWaalsContact NE2-O 3.09Å; H144-Y170 CarbonylContact O-C 3.49Å; H144-D205 PolarHBondContact N-OD1 2.96Å; H144-D205 PolarHBondContact N-OD2 3.45Å
145	R	87.9	Confident	93	Very high	18 Å²	18	31 Å²	31	7%	0.068	15%	0.15	C	C	.	.	S	Bend	trans	67.3	-14	176.4	-53.2	-173.6	-65.4	179.3	0.4	118.1	I143 Y170 A171 S182 Y200 V204 D205	I143-R145 HydrophobicContact CB-CG 4.15Å; I143-R145 HydrophobicContact CG2-CG 3.53Å; R145-Y170 PolarHBondContact NE-O 2.73Å; R145-Y170 PolarHBondContact NH2-O 3.3Å; R145-A171 PolarHBondContact NH2-O 2.81Å; R145-S182 PolarHBondContact NH1-OG 3.49Å; R145-S182 VanDerWaalsContact NH1-OG 3.1Å; R145-Y200 WeakPolarHBondContact CD-OH 3.42Å; R145-Y200 HydrophobicContact CG-CE2 4.43Å; R145-Y200 PolarHBondContact NH1-OH 3.27Å; R145-V204 HydrophobicContact CG-CG2 4.27Å; R145-D205 PolarHBondContact N-OD1 3.19Å
146	D	87.7	Confident	92.7	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.027	15%	0.148	C	C	.	.			trans	-131.3	43	174	-167.6	38.9	0	0	0	112	H144 K148 N151 Y170 G185 T186	H144-D146 VanDerWaalsContact CE1-C 3.41Å; H144-D146 PolarHBondContact CE1-O 3.48Å; H144-D146 VanDerWaalsContact CE1-O 3.29Å; H144-D146 PolarHBondContact ND1-N 2.9Å; H144-D146 PolarHBondContact O-N 3.06Å; D146-K148 PolarHBondContact O-N 3.24Å; D146-K148 IonicContact OD1-NZ 3.05Å; D146-K148 IonicContact OD2-NZ 3.82Å; D146-K148 PolarHBondContact OD2-NZ 2.9Å; D146-N151 PolarHBondContact O-ND2 3.47Å; D146-N151 PolarHBondContact OD2-ND2 3.4Å; D146-Y170 HydrophobicContact CB-CD2 3.89Å; D146-Y170 HydrophobicContact CB-CG 4.45Å; D146-G185 VanDerWaalsContact OD1-CA 3.27Å; D146-G185 WeakPolarHBondContact OD1-CA 3.11Å; D146-T186 PolarHBondContact OD1-N 3.23Å; D146-T186 PolarHBondContact OD1-OG1 2.86Å
147	L	93.5	Very high	92.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.			trans	-71.4	123.4	179.1	-173.8	72.2	0	0	0	109.5	I130 L134 H144 I152 I165 S208 F209 L212	I130-L147 HydrophobicContact CG2-CD2 4.38Å; L134-L147 HydrophobicContact CD1-CD2 3.97Å; L134-L147 HydrophobicContact CD2-CD2 4.33Å; H144-L147 PolarHBondContact ND1-N 2.98Å; H144-L147 VanDerWaalsContact ND1-N 3.1Å; L147-I152 HydrophobicContact CD1-CD1 4.37Å; L147-I152 HydrophobicContact CD1-CG1 4.3Å; L147-I165 HydrophobicContact CD1-CD1 4.02Å; L147-I165 HydrophobicContact CD1-CG1 4.24Å; L147-S208 WeakPolarHBondContact O-CB 3.31Å; L147-F209 HydrophobicContact CD2-CB 3.82Å; L147-F209 HydrophobicContact CD2-CD2 4.38Å; L147-F209 HydrophobicContact CD2-CG 4.4Å; L147-L212 HydrophobicContact CG-CD1 4.41Å
148	K	92	Very high	91.7	Very high	26 Å²	26	39.2 Å²	39.2	11%	0.113	19%	0.189	C	C	.	.	S	Bend	trans	-161.3	164.4	-176.6	65.4	-168.7	-174.8	-150.9	0	110	D146 E150 N151 T186 Y189	D146-K148 PolarHBondContact O-N 3.24Å; D146-K148 IonicContact OD1-NZ 3.05Å; D146-K148 IonicContact OD2-NZ 3.82Å; D146-K148 PolarHBondContact OD2-NZ 2.9Å; K148-E150 HydrophobicContact CD-CB 4.43Å; K148-E150 HydrophobicContact CG-CB 4.2Å; K148-E150 WeakPolarHBondContact CG-OE2 3.45Å; K148-E150 PolarHBondContact O-N 3.04Å; K148-E150 VanDerWaalsContact O-N 3.14Å; K148-N151 WeakPolarHBondContact CE-ND2 3.38Å; K148-N151 HydrophobicContact CG-CB 4.1Å; K148-N151 PolarHBondContact O-N 2.72Å; K148-T186 HydrophobicContact CD-CG2 4.29Å; K148-T186 WeakPolarHBondContact CD-OG1 3.36Å; K148-T186 PolarHBondContact NZ-OG1 3.49Å; K148-Y189 HydrophobicContact CB-CD2 3.71Å; K148-Y189 HydrophobicContact CB-CE2 4.09Å; K148-Y189 HydrophobicContact CB-CG 4.01Å
149	P	95.3	Very high	91.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-57.3	-29.8	-179.1	-27.8	36.7	0	0	0	115	L105 R106 L109 N151 I152 Y189 L212	L105-P149 HydrophobicContact CB-CB 4.25Å; L105-P149 WeakPolarHBondContact CB-O 3.47Å; L105-P149 HydrophobicContact CD2-CB 4.28Å; L105-P149 HydrophobicContact CG-CB 4.21Å; L105-P149 PolarHBondContact N-O 3.42Å; R106-P149 HydrophobicContact CB-CB 3.99Å; R106-P149 PolarHBondContact N-O 3.03Å; L109-P149 HydrophobicContact CD1-CB 3.83Å; L109-P149 HydrophobicContact CD1-CG 3.76Å; P149-N151 PolarHBondContact O-N 2.96Å; P149-I152 PolarHBondContact O-N 3.49Å; P149-Y189 HydrophobicContact CG-CE1 4.28Å; P149-L212 HydrophobicContact CG-CD1 4.27Å; P149-L212 HydrophobicContact CG-CG 4.26Å
150	E	91.9	Very high	90.7	Very high	67 Å²	67	43.3 Å²	43.3	31%	0.313	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-69.7	-22.2	175.9	-61.5	78	-174.3	0	0	113.1	R106 K148	R106-E150 HydrophobicContact CB-CG 3.93Å; R106-E150 HydrophobicContact CG-CG 4.25Å; R106-E150 IonicContact CZ-OE1 3.86Å; R106-E150 IonicContact NE-OE1 3.87Å; R106-E150 PolarHBondContact NE-OE1 3.42Å; R106-E150 IonicContact NH2-OE1 2.77Å; R106-E150 PolarHBondContact NH2-OE1 3.44Å; R106-E150 VanDerWaalsContact NH2-OE1 3.1Å; R106-E150 IonicContact NH2-OE2 3.85Å; K148-E150 HydrophobicContact CD-CB 4.43Å; K148-E150 HydrophobicContact CG-CB 4.2Å; K148-E150 WeakPolarHBondContact CG-OE2 3.45Å; K148-E150 PolarHBondContact O-N 3.04Å; K148-E150 VanDerWaalsContact O-N 3.14Å
151	N	94.6	Very high	90.6	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.043	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-101.5	15.1	-179.2	-69.8	-6.1	0	0	0	112.7	D146 K148 P149 I166	D146-N151 PolarHBondContact O-ND2 3.47Å; D146-N151 PolarHBondContact OD2-ND2 3.4Å; K148-N151 WeakPolarHBondContact CE-ND2 3.38Å; K148-N151 HydrophobicContact CG-CB 4.1Å; K148-N151 PolarHBondContact O-N 2.72Å; P149-N151 PolarHBondContact O-N 2.96Å; N151-I166 VanDerWaalsContact C-CG1 3.46Å; N151-I166 HydrophobicContact CB-CG1 4.27Å; N151-I166 VanDerWaalsContact O-CG1 3.28Å; N151-I166 WeakPolarHBondContact O-CG1 3.4Å; N151-I166 PolarHBondContact O-N 3.38Å
152	I	97.5	Very high	90.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.6	169.4	-63.2	177.5	0	0	0	107.3	D104 L105 L126 I130 L147 P149 H163 K164 L212	D104-I152 CarbonylContact C-O 3.43Å; D104-I152 VanDerWaalsContact CA-O 3.3Å; D104-I152 WeakPolarHBondContact CA-O 3.27Å; L105-I152 HydrophobicContact CB-CB 3.95Å; L105-I152 HydrophobicContact CB-CG2 4.08Å; L105-I152 HydrophobicContact CD2-CB 4.23Å; L105-I152 HydrophobicContact CD2-CD1 3.91Å; L105-I152 HydrophobicContact CD2-CG2 4.28Å; L105-I152 PolarHBondContact N-O 2.95Å; L126-I152 HydrophobicContact CD1-CD1 4.26Å; L126-I152 HydrophobicContact CD1-CG2 4.44Å; I130-I152 HydrophobicContact CD1-CD1 3.68Å; I130-I152 HydrophobicContact CD1-CG1 3.97Å; I130-I152 HydrophobicContact CD1-CG2 3.89Å; I130-I152 HydrophobicContact CG1-CD1 3.89Å; I130-I152 HydrophobicContact CG2-CD1 4.45Å; L147-I152 HydrophobicContact CD1-CD1 4.37Å; L147-I152 HydrophobicContact CD1-CG1 4.3Å; P149-I152 PolarHBondContact O-N 3.49Å; I152-H163 HydrophobicContact CG2-CB 3.92Å; I152-K164 WeakPolarHBondContact CA-O 3.42Å; I152-L212 HydrophobicContact CD1-CD1 3.43Å; I152-L212 VanDerWaalsContact CD1-CD1 3.43Å; I152-L212 HydrophobicContact CD1-CD2 4.08Å; I152-L212 HydrophobicContact CD1-CG 4.41Å; I152-L212 HydrophobicContact CG1-CD1 4.43Å
153	V	96.4	Very high	91.1	Very high	18 Å²	18	35.5 Å²	35.5	11%	0.109	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	153.1	176.3	-62.9	0	0	0	0	110.8	V74 C100 G103 H163 K164 I166	V74-V153 HydrophobicContact CG2-CG2 3.65Å; C100-V153 HydrophobicContact CB-CB 3.79Å; C100-V153 HydrophobicContact CB-CG2 3.61Å; C100-V153 WeakPolarHBondContact SG-CG2 3.45Å; G103-V153 CarbonylContact O-C 3.54Å; G103-V153 VanDerWaalsContact O-CA 3.25Å; G103-V153 WeakPolarHBondContact O-CA 3.22Å; V153-H163 WeakPolarHBondContact O-CA 3.33Å; V153-K164 HydrophobicContact CG2-CB 4.08Å; V153-K164 PolarHBondContact N-O 3.39Å; V153-K164 PolarHBondContact O-N 3.35Å; V153-I166 HydrophobicContact CB-CG2 4.46Å; V153-I166 HydrophobicContact CG1-CD1 3.64Å; V153-I166 HydrophobicContact CG1-CG1 4.07Å; V153-I166 HydrophobicContact CG1-CG2 4.06Å; V153-I166 HydrophobicContact CG2-CG2 3.57Å
154	L	95.4	Very high	91.4	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.5	-179	-58.5	97.7	0	0	0	109.5	C100 G102 G103 L105 L161 I162	C100-L154 CarbonylContact C-O 3.46Å; C100-L154 WeakPolarHBondContact CB-O 3.49Å; G102-L154 WeakPolarHBondContact CA-O 3.25Å; G102-L154 PolarHBondContact N-O 2.63Å; G103-L154 WeakPolarHBondContact O-CD1 3.48Å; G103-L154 PolarHBondContact O-N 3.23Å; L105-L154 HydrophobicContact CB-CD1 4.47Å; L154-L161 HydrophobicContact CD2-CB 4.37Å; L154-L161 HydrophobicContact CD2-CD1 4.04Å; L154-I162 WeakPolarHBondContact CA-O 3.49Å
155	Q	93.8	Very high	91.7	Very high	36 Å²	36	36.2 Å²	36.2	17%	0.168	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.5	171.4	176	56.2	21	0	0	109.7	Y99 C100 G157 L161 I162 K164	Y99-Q155 PolarHBondContact O-OE1 3.08Å; C100-Q155 VanDerWaalsContact CA-OE1 3.24Å; C100-Q155 HydrophobicContact CB-CB 4.48Å; Q155-G157 PolarHBondContact O-N 3.44Å; Q155-L161 WeakPolarHBondContact O-CA 3.39Å; Q155-I162 HydrophobicContact CB-CB 4.48Å; Q155-I162 PolarHBondContact N-O 2.92Å; Q155-I162 PolarHBondContact O-N 3.17Å; Q155-K164 HydrophobicContact CB-CD 4.15Å
156	Q	89.2	Confident	91.9	Very high	77 Å²	77	37 Å²	37	36%	0.36	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	111.6	170.9	-173	60.4	59.5	0	0	108.8
157	G	85.9	Confident	91.5	Very high	16 Å²	16	38.4 Å²	38.4	17%	0.165	18%	0.184	C	C	.	.			trans	-91.9	174.5	166.8	0	0	0	0	0	111.3	Q155 K159 R160	Q155-G157 PolarHBondContact O-N 3.44Å; G157-K159 PolarHBondContact O-N 3.41Å; G157-R160 VanDerWaalsContact CA-O 3.26Å; G157-R160 WeakPolarHBondContact CA-O 3.47Å; G157-R160 PolarHBondContact N-O 2.99Å
158	E	83.7	Confident	90.7	Very high	182 Å²	182	38.5 Å²	38.5	85%	0.85	19%	0.185	S	C	*	.	S	Bend	trans	-58.4	-48.2	-179	-65.3	178.3	176	0	0	112.1	R381	E158-R381 PolarHBondContact O-NH1 3.24Å; E158-R381 PolarHBondContact O-NH2 2.97Å
159	K	80	Confident	89.4	Confident	154 Å²	154	37.6 Å²	37.6	67%	0.67	18%	0.183	S	C	*	.	S	Bend	trans	-95	-40.4	-178.1	-61.2	-176.8	179.7	-177.8	0	112.9	G157 D379 R381	G157-K159 PolarHBondContact O-N 3.41Å; K159-D379 HydrophobicContact CB-CB 4.26Å; K159-R381 WeakPolarHBondContact O-CD 3.49Å; K159-R381 PolarHBondContact O-NE 3.42Å
160	R	86.3	Confident	87.8	Confident	44 Å²	44	40.2 Å²	40.2	17%	0.166	19%	0.193	C	C	.	.	S	Bend	trans	-143.2	168.1	-167.5	68.9	178.1	-177.2	92.6	-12.2	114.1	I125 R128 D129 G157 I162 D379	I125-R160 VanDerWaalsContact CG2-NH1 3.27Å; R128-R160 VanDerWaalsContact NH2-CD 3.26Å; D129-R160 VanDerWaalsContact CG-NH1 3.32Å; D129-R160 IonicContact OD1-CZ 3.76Å; D129-R160 IonicContact OD1-NH1 3.94Å; D129-R160 PolarHBondContact OD1-NH1 3.23Å; D129-R160 IonicContact OD1-NH2 3.23Å; D129-R160 PolarHBondContact OD1-NH2 2.87Å; D129-R160 IonicContact OD2-CZ 3.99Å; D129-R160 IonicContact OD2-NH1 3.19Å; D129-R160 PolarHBondContact OD2-NH1 3.31Å; D129-R160 IonicContact OD2-NH2 2.76Å; G157-R160 VanDerWaalsContact CA-O 3.26Å; G157-R160 WeakPolarHBondContact CA-O 3.47Å; G157-R160 PolarHBondContact N-O 2.99Å; R160-I162 HydrophobicContact CG-CG1 4.45Å; R160-D379 VanDerWaalsContact CA-O 3.23Å; R160-D379 WeakPolarHBondContact CA-O 3.34Å; R160-D379 HydrophobicContact CB-CB 4.45Å; R160-D379 WeakPolarHBondContact CB-O 3.42Å
161	L	88.8	Confident	86.4	Confident	54 Å²	54	37.4 Å²	37.4	28%	0.283	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	136	162.3	-66.5	173.7	0	0	0	110.2	L154 Q155	L154-L161 HydrophobicContact CD2-CB 4.37Å; L154-L161 HydrophobicContact CD2-CD1 4.04Å; Q155-L161 WeakPolarHBondContact O-CA 3.39Å
162	I	94	Very high	85	Confident	30 Å²	30	40.3 Å²	40.3	15%	0.154	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.7	179.3	-55.5	173.4	0	0	0	108.3	V71 L154 Q155 R160 K164	V71-I162 HydrophobicContact CG2-CG2 4.45Å; L154-I162 WeakPolarHBondContact CA-O 3.49Å; Q155-I162 HydrophobicContact CB-CB 4.48Å; Q155-I162 PolarHBondContact N-O 2.92Å; Q155-I162 PolarHBondContact O-N 3.17Å; R160-I162 HydrophobicContact CG-CG1 4.45Å; I162-K164 HydrophobicContact CG2-CG 4.36Å
163	H	96.7	Very high	83.4	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.028	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.2	175.4	-53.6	79.6	0	0	0	109.6	N72 L126 D129 I130 I152 V153	N72-H163 WeakPolarHBondContact CB-O 3.38Å; N72-H163 PolarHBondContact ND2-O 3.38Å; L126-H163 HydrophobicContact CD1-CB 4.33Å; L126-H163 VanDerWaalsContact CD1-CD2 3.49Å; L126-H163 WeakPolarHBondContact CD1-CD2 3.43Å; D129-H163 HydrophobicContact CB-CB 3.76Å; D129-H163 IonicContact OD2-CG 2.72Å; D129-H163 PolarHBondContact OD2-N 3.4Å; D129-H163 IonicContact OD2-ND1 3.79Å; D129-H163 PolarHBondContact OD2-ND1 3.48Å; I130-H163 HydrophobicContact CD1-CB 3.88Å; I130-H163 HydrophobicContact CG1-CB 4.26Å; I152-H163 HydrophobicContact CG2-CB 3.92Å; V153-H163 WeakPolarHBondContact O-CA 3.33Å
164	K	98.1	Very high	81.6	Confident	15 Å²	15	44 Å²	44	7%	0.065	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.9	179.1	-68.8	172	170	-91.3	0	110.7	V71 N72 V74 E98 I152 V153 Q155 I162	V71-K164 WeakPolarHBondContact O-CE 3.35Å; V71-K164 WeakPolarHBondContact O-CG 3.45Å; V71-K164 PolarHBondContact O-NZ 3.45Å; N72-K164 CarbonylContact O-C 3.58Å; N72-K164 VanDerWaalsContact O-CA 3.27Å; N72-K164 WeakPolarHBondContact O-CA 3.42Å; V74-K164 HydrophobicContact CG2-CB 3.73Å; V74-K164 HydrophobicContact CG2-CD 4.12Å; E98-K164 WeakPolarHBondContact OE1-CE 3.42Å; E98-K164 IonicContact OE1-NZ 3.06Å; E98-K164 PolarHBondContact OE1-NZ 2.84Å; E98-K164 IonicContact OE2-NZ 2.77Å; I152-K164 WeakPolarHBondContact CA-O 3.42Å; V153-K164 HydrophobicContact CG2-CB 4.08Å; V153-K164 PolarHBondContact N-O 3.39Å; V153-K164 PolarHBondContact O-N 3.35Å; Q155-K164 HydrophobicContact CB-CD 4.15Å; I162-K164 HydrophobicContact CG2-CG 4.36Å
165	I	97.5	Very high	79.1	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.4	171.8	-64.2	-177.5	0	0	0	109.6	N72 V74 I130 A133 L134 L137 H144 L147	N72-I165 PolarHBondContact O-N 3.44Å; V74-I165 PolarHBondContact N-O 2.98Å; I130-I165 HydrophobicContact CD1-CG1 3.96Å; I130-I165 HydrophobicContact CG2-CD1 4.41Å; A133-I165 HydrophobicContact CB-CD1 3.52Å; A133-I165 HydrophobicContact CB-CG1 3.89Å; L134-I165 HydrophobicContact CD2-CD1 4.15Å; L134-I165 HydrophobicContact CG-CD1 4.2Å; L137-I165 HydrophobicContact CD1-CD1 4.22Å; L137-I165 HydrophobicContact CD1-CG2 4.47Å; H144-I165 WeakPolarHBondContact CD2-CG2 3.37Å; H144-I165 WeakPolarHBondContact NE2-CG2 3.29Å; L147-I165 HydrophobicContact CD1-CD1 4.02Å; L147-I165 HydrophobicContact CD1-CG1 4.24Å
166	I	92.3	Very high	76.4	Confident	35 Å²	35	56.7 Å²	56.7	18%	0.179	27%	0.274	C	S	.	.			trans	-124.3	173.1	171.9	56.1	159.3	0	0	0	111.4	V74 H144 N151 V153	V74-I166 HydrophobicContact CB-CG2 3.7Å; V74-I166 HydrophobicContact CG1-CG2 4.24Å; V74-I166 HydrophobicContact CG2-CG2 3.21Å; H144-I166 PolarHBondContact NE2-O 3.39Å; H144-I166 VanDerWaalsContact NE2-O 3.09Å; N151-I166 VanDerWaalsContact C-CG1 3.46Å; N151-I166 HydrophobicContact CB-CG1 4.27Å; N151-I166 VanDerWaalsContact O-CG1 3.28Å; N151-I166 WeakPolarHBondContact O-CG1 3.4Å; N151-I166 PolarHBondContact O-N 3.38Å; V153-I166 HydrophobicContact CB-CG2 4.46Å; V153-I166 HydrophobicContact CG1-CD1 3.64Å; V153-I166 HydrophobicContact CG1-CG1 4.07Å; V153-I166 HydrophobicContact CG1-CG2 4.06Å; V153-I166 HydrophobicContact CG2-CG2 3.57Å
167	D	79.4	Confident	74.1	Confident	34 Å²	34	58.4 Å²	58.4	18%	0.182	30%	0.295	C	S	.	.			trans	64.1	70.1	167.4	-160.2	16.9	0	0	0	114.7	K44 G169	K44-D167 IonicContact NZ-OD1 3.54Å; K44-D167 PolarHBondContact NZ-OD1 3.4Å; D167-G169 PolarHBondContact O-N 3Å
168	L	76.1	Confident	71.9	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.016	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-81.6	16.4	172.2	-60.2	-177.9	0	0	0	113	E61 I64 M65 L68 L137 Y170 A171	E61-L168 HydrophobicContact CG-CB 4.44Å; I64-L168 HydrophobicContact CG2-CD1 3.6Å; M65-L168 HydrophobicContact CG-CD1 4.38Å; M65-L168 HydrophobicContact SD-CB 4.24Å; M65-L168 HydrophobicContact SD-CD1 3.53Å; M65-L168 VanDerWaalsContact SD-CD1 3.53Å; M65-L168 HydrophobicContact SD-CG 3.84Å; L68-L168 HydrophobicContact CD1-CD1 3.22Å; L137-L168 HydrophobicContact CD1-CD2 4.4Å; L137-L168 HydrophobicContact CD2-CD1 4.47Å; L168-Y170 PolarHBondContact O-N 2.75Å; L168-A171 HydrophobicContact CB-CB 3.71Å; L168-A171 HydrophobicContact CD2-CB 4Å; L168-A171 HydrophobicContact CG-CB 4.37Å; L168-A171 WeakPolarHBondContact O-CB 3.46Å; L168-A171 PolarHBondContact O-N 3.15Å
169	G	64.4	Low	70	Confident	7 Å²	7	55.4 Å²	55.4	7%	0.072	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-64.3	-19.3	178.4	0	0	0	0	0	113.9	E61 D167	E61-G169 VanDerWaalsContact CD-CA 3.41Å; E61-G169 VanDerWaalsContact CD-N 3.31Å; E61-G169 PolarHBondContact OE1-N 3.01Å; E61-G169 WeakPolarHBondContact OE2-CA 3.46Å; D167-G169 PolarHBondContact O-N 3Å
170	Y	62.5	Low	68.5	Low	54 Å²	54	48.2 Å²	48.2	21%	0.212	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-107.1	12.5	167.8	-60.6	-66.9	0	0	0	112.7	F26 H144 R145 D146 L168 V184	F26-Y170 HydrophobicContact CE2-CD1 4.43Å; F26-Y170 AromaticContact CE2-CE1 4Å; F26-Y170 HydrophobicContact CE2-CE1 4Å; F26-Y170 HydrophobicContact CZ-CE1 4.34Å; H144-Y170 CarbonylContact O-C 3.49Å; R145-Y170 PolarHBondContact NE-O 2.73Å; R145-Y170 PolarHBondContact NH2-O 3.3Å; D146-Y170 HydrophobicContact CB-CD2 3.89Å; D146-Y170 HydrophobicContact CB-CG 4.45Å; L168-Y170 PolarHBondContact O-N 2.75Å; Y170-V184 HydrophobicContact CD1-CB 3.59Å; Y170-V184 HydrophobicContact CD1-CG1 3.76Å; Y170-V184 HydrophobicContact CD1-CG2 4.09Å; Y170-V184 HydrophobicContact CE1-CB 3.98Å; Y170-V184 HydrophobicContact CE1-CG1 3.96Å; Y170-V184 HydrophobicContact CG-CB 4.26Å; Y170-V184 HydrophobicContact CG-CG2 4.47Å
171	A	62.3	Low	66.4	Low	8 Å²	8	50.7 Å²	50.7	7%	0.066	27%	0.272	C	S	.	.			trans	-72.5	161.4	176.7	0	0	0	0	0	111.7	I142 I143 R145 L168	I142-A171 HydrophobicContact CG2-CB 3.87Å; I143-A171 CarbonylContact O-C 3.59Å; I143-A171 WeakPolarHBondContact O-CA 3.47Å; I143-A171 WeakPolarHBondContact O-CB 3.41Å; R145-A171 PolarHBondContact NH2-O 2.81Å; L168-A171 HydrophobicContact CB-CB 3.71Å; L168-A171 HydrophobicContact CD2-CB 4Å; L168-A171 HydrophobicContact CG-CB 4.37Å; L168-A171 WeakPolarHBondContact O-CB 3.46Å; L168-A171 PolarHBondContact O-N 3.15Å
172	K	65.3	Low	64.5	Low	69 Å²	69	49.3 Å²	49.3	30%	0.3	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.8	173.4	-174.2	170.9	178.4	-174.5	0	111.6	I143 C180	I143-K172 PolarHBondContact N-O 2.87Å; I143-K172 PolarHBondContact O-N 3.48Å; K172-C180 HydrophobicContact CD-CB 4.44Å; K172-C180 VanDerWaalsContact CE-SG 3.58Å; K172-C180 PolarHBondContact NZ-SG 3.47Å
173	E	63.3	Low	62.5	Low	49 Å²	49	52.7 Å²	52.7	23%	0.229	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.4	171.2	-57.1	-173.4	-172.2	0	0	110.9	I64 R67 R141 D175	I64-E173 HydrophobicContact CD1-CG 4.18Å; I64-E173 WeakPolarHBondContact CG1-OE1 3.42Å; R67-E173 IonicContact CZ-OE1 3.76Å; R67-E173 IonicContact CZ-OE2 3.19Å; R67-E173 VanDerWaalsContact NH1-CD 3.26Å; R67-E173 IonicContact NH1-OE1 3.63Å; R67-E173 PolarHBondContact NH1-OE1 2.93Å; R67-E173 IonicContact NH1-OE2 2.75Å; R67-E173 PolarHBondContact NH1-OE2 3.47Å; R67-E173 IonicContact NH2-OE1 2.91Å; R67-E173 PolarHBondContact NH2-OE1 3.29Å; R67-E173 IonicContact NH2-OE2 2.87Å; R141-E173 CarbonylContact O-C 3.5Å; R141-E173 WeakPolarHBondContact O-CA 3.42Å; E173-D175 PolarHBondContact O-N 3.24Å
174	L	57.6	Low	60.3	Low	47 Å²	47	53.2 Å²	53.2	25%	0.246	28%	0.284	C	S	.	.			trans	-85.7	90	175.5	-65.3	167.2	0	0	0	110.4	R141 I143 V202	R141-L174 HydrophobicContact CB-CB 4.12Å; R141-L174 PolarHBondContact O-N 2.99Å; I143-L174 HydrophobicContact CD1-CD1 4.02Å; I143-L174 HydrophobicContact CD1-CD2 3.66Å; I143-L174 HydrophobicContact CD1-CG 4.04Å; I143-L174 HydrophobicContact CG1-CD1 4.03Å; I143-L174 HydrophobicContact CG1-CD2 4.32Å; I143-L174 HydrophobicContact CG1-CG 4.15Å; L174-V202 HydrophobicContact CD1-CG1 4.15Å
175	D	43.7	Very low	58.4	Low	112 Å²	112	53.8 Å²	53.8	60%	0.599	30%	0.295	S	S	*	.			trans	-80	155.3	166.7	-74.9	-28.8	0	0	0	111.8	E173 S177 S178	E173-D175 PolarHBondContact O-N 3.24Å; D175-S177 PolarHBondContact O-N 2.88Å; D175-S178 VanDerWaalsContact O-CB 3.29Å; D175-S178 WeakPolarHBondContact O-CB 3.39Å; D175-S178 PolarHBondContact O-N 2.94Å; D175-S178 PolarHBondContact O-OG 2.93Å
176	Q	37.2	Very low	56.9	Low	193 Å²	193	55.5 Å²	55.5	90%	0.902	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	8.6	-160.3	-69.8	-179.2	2.7	0	0	118.6
177	S	41.5	Very low	56	Low	114 Å²	114	57.1 Å²	57.1	80%	0.797	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.5	14.2	174.6	62.7	0	0	0	0	114.8	D175 L179	D175-S177 PolarHBondContact O-N 2.88Å; S177-L179 PolarHBondContact O-N 3.46Å; S177-L179 VanDerWaalsContact O-N 3.16Å
178	S	39.7	Very low	56	Low	37 Å²	37	60.2 Å²	60.2	26%	0.259	33%	0.327	S	S	.	.			trans	-92.8	80.8	-156.7	-53.9	0	0	0	0	116.1	D175 C180	D175-S178 VanDerWaalsContact O-CB 3.29Å; D175-S178 WeakPolarHBondContact O-CB 3.39Å; D175-S178 PolarHBondContact O-N 2.94Å; D175-S178 PolarHBondContact O-OG 2.93Å; S178-C180 PolarHBondContact O-SG 3.44Å
179	L	43.8	Very low	56.7	Low	98 Å²	98	60.2 Å²	60.2	51%	0.513	33%	0.327	S	S	.	.			trans	-74.2	119.7	155.2	-75.3	156.3	0	0	0	109.1	S177 K199	S177-L179 PolarHBondContact O-N 3.46Å; S177-L179 VanDerWaalsContact O-N 3.16Å; L179-K199 HydrophobicContact CB-CB 3.81Å; L179-K199 HydrophobicContact CB-CD 3.43Å; L179-K199 VanDerWaalsContact CB-CD 3.43Å; L179-K199 VanDerWaalsContact CB-CE 3.43Å; L179-K199 HydrophobicContact CB-CG 3.63Å; L179-K199 HydrophobicContact CD1-CD 3.76Å; L179-K199 HydrophobicContact CD2-CB 3.67Å; L179-K199 HydrophobicContact CD2-CD 4.1Å; L179-K199 HydrophobicContact CD2-CG 4.34Å; L179-K199 HydrophobicContact CG-CB 4.26Å; L179-K199 HydrophobicContact CG-CD 3.93Å; L179-K199 HydrophobicContact CG-CG 4.42Å
180	C	47.3	Very low	57.9	Low	3 Å²	3	60 Å²	60	2%	0.02	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-103.9	146	-165.7	-60.1	0	0	0	0	113.6	K172 S178 K199 Y200	K172-C180 HydrophobicContact CD-CB 4.44Å; K172-C180 VanDerWaalsContact CE-SG 3.58Å; K172-C180 PolarHBondContact NZ-SG 3.47Å; S178-C180 PolarHBondContact O-SG 3.44Å; C180-K199 VanDerWaalsContact O-CA 3.31Å; C180-K199 WeakPolarHBondContact O-CA 3.22Å; C180-Y200 HydrophobicContact CB-CD1 4.13Å; C180-Y200 HydrophobicContact CB-CD2 4.05Å; C180-Y200 HydrophobicContact CB-CE1 3.54Å; C180-Y200 HydrophobicContact CB-CE2 3.41Å; C180-Y200 VanDerWaalsContact CB-CE2 3.41Å; C180-Y200 HydrophobicContact CB-CG 4.37Å; C180-Y200 VanDerWaalsContact CB-OH 3.31Å; C180-Y200 WeakPolarHBondContact CB-OH 3.48Å; C180-Y200 WeakPolarHBondContact O-CD1 3.5Å; C180-Y200 WeakPolarHBondContact O-CE1 3.45Å; C180-Y200 PolarHBondContact O-N 2.82Å
181	T	43.3	Very low	59.3	Low	95 Å²	95	57.5 Å²	57.5	58%	0.583	31%	0.314	S	S	*	.			trans	-128.6	11.1	-170.7	53.4	0	0	0	0	116.3	K199	T181-K199 HydrophobicContact CG2-CG 4.21Å
182	S	48.3	Very low	60.6	Low	25 Å²	25	57.1 Å²	57.1	18%	0.175	31%	0.311	C	S	.	.			trans	-84.3	129.6	-174.5	60.2	0	0	0	0	114.5	R145 V184 Y200	R145-S182 PolarHBondContact NH1-OG 3.49Å; R145-S182 VanDerWaalsContact NH1-OG 3.1Å; S182-V184 PolarHBondContact O-N 3.41Å; S182-Y200 PolarHBondContact OG-OH 2.99Å; S182-Y200 VanDerWaalsContact OG-OH 3.05Å
183	F	51.7	Low	61.9	Low	102 Å²	102	54 Å²	54	45%	0.447	30%	0.298	S	S	.	.			trans	-80.6	103.1	170.8	-173.5	-94	0	0	0	110.8	L190 L194	F183-L190 HydrophobicContact CE2-CD2 4.16Å; F183-L194 WeakPolarHBondContact CD2-O 3.47Å
184	V	51.9	Low	62.9	Low	16 Å²	16	51.8 Å²	51.8	10%	0.097	29%	0.288	C	S	.	.			trans	-144.1	152.5	176.4	-68	0	0	0	0	109.4	Y170 S182 L190	Y170-V184 HydrophobicContact CD1-CB 3.59Å; Y170-V184 HydrophobicContact CD1-CG1 3.76Å; Y170-V184 HydrophobicContact CD1-CG2 4.09Å; Y170-V184 HydrophobicContact CE1-CB 3.98Å; Y170-V184 HydrophobicContact CE1-CG1 3.96Å; Y170-V184 HydrophobicContact CG-CB 4.26Å; Y170-V184 HydrophobicContact CG-CG2 4.47Å; S182-V184 PolarHBondContact O-N 3.41Å; V184-L190 WeakPolarHBondContact O-CD1 3.34Å
185	G	57.6	Low	64.1	Low	28 Å²	28	51.3 Å²	51.3	29%	0.289	29%	0.285	S	S	.	.	S	Bend	trans	117.1	175.9	174	0	0	0	0	0	115	D146	D146-G185 VanDerWaalsContact OD1-CA 3.27Å; D146-G185 WeakPolarHBondContact OD1-CA 3.11Å
186	T	65	Low	66.1	Low	36 Å²	36	48.8 Å²	48.8	22%	0.221	27%	0.27	C	S	.	.			trans	-87.9	113.3	-179.4	-52.9	0	0	0	0	109.9	D146 K148 Q188 Y189 L190	D146-T186 PolarHBondContact OD1-N 3.23Å; D146-T186 PolarHBondContact OD1-OG1 2.86Å; K148-T186 HydrophobicContact CD-CG2 4.29Å; K148-T186 WeakPolarHBondContact CD-OG1 3.36Å; K148-T186 PolarHBondContact NZ-OG1 3.49Å; T186-Q188 PolarHBondContact O-N 3.41Å; T186-Y189 HydrophobicContact CG2-CD2 4.28Å; T186-Y189 PolarHBondContact O-N 3.05Å; T186-L190 PolarHBondContact O-N 2.94Å
187	L	73.3	Confident	68.2	Low	70 Å²	70	48.3 Å²	48.3	37%	0.366	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	-33.6	-172.4	-96.3	155.9	0	0	0	114.8	Y189 P229	L187-Y189 VanDerWaalsContact C-N 3.34Å; L187-Y189 PolarHBondContact O-N 3.12Å; L187-P229 HydrophobicContact CD1-CG 3.76Å; L187-P229 HydrophobicContact CD2-CB 3.84Å; L187-P229 HydrophobicContact CD2-CG 3.69Å; L187-P229 HydrophobicContact CG-CG 4.29Å
188	Q	81	Confident	70.1	Confident	98 Å²	98	47.2 Å²	47.2	46%	0.458	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-14.8	-176.2	-61.2	87	-2.3	0	0	115.3	T186	T186-Q188 PolarHBondContact O-N 3.41Å
189	Y	90.4	Very high	72.1	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.016	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	3.8	177	-59.2	-87.2	0	0	0	112.2	R106 K148 P149 T186 L187 S208 E215 R221	R106-Y189 PolarHBondContact NH2-OH 3.26Å; K148-Y189 HydrophobicContact CB-CD2 3.71Å; K148-Y189 HydrophobicContact CB-CE2 4.09Å; K148-Y189 HydrophobicContact CB-CG 4.01Å; P149-Y189 HydrophobicContact CG-CE1 4.28Å; T186-Y189 HydrophobicContact CG2-CD2 4.28Å; T186-Y189 PolarHBondContact O-N 3.05Å; L187-Y189 VanDerWaalsContact C-N 3.34Å; L187-Y189 PolarHBondContact O-N 3.12Å; Y189-S208 PolarHBondContact O-OG 3.49Å; Y189-E215 WeakPolarHBondContact CE1-OE2 3.45Å; Y189-E215 VanDerWaalsContact CZ-OE2 3.31Å; Y189-E215 VanDerWaalsContact OH-CD 3.26Å; Y189-E215 PolarHBondContact OH-OE1 2.87Å; Y189-E215 PolarHBondContact OH-OE2 3.44Å; Y189-R221 HydrophobicContact CE1-CG 4.31Å
190	L	88.4	Confident	74	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.016	23%	0.231	C	C	.	.			trans	-78	134.4	-172.1	-164.2	67.6	0	0	0	110.4	F183 V184 T186 L194 I195 W207	F183-L190 HydrophobicContact CE2-CD2 4.16Å; V184-L190 WeakPolarHBondContact O-CD1 3.34Å; T186-L190 PolarHBondContact O-N 2.94Å; L190-L194 HydrophobicContact CD1-CB 3.88Å; L190-L194 HydrophobicContact CD1-CD1 3.39Å; L190-L194 HydrophobicContact CD1-CG 4.24Å; L190-L194 HydrophobicContact CD2-CB 4.01Å; L190-L194 HydrophobicContact CG-CB 3.76Å; L190-L194 HydrophobicContact CG-CD1 4.07Å; L190-I195 HydrophobicContact CD2-CG1 3.87Å; L190-I195 HydrophobicContact CG-CG1 4.42Å; L190-W207 PolarHBondContact O-NE1 3.28Å; L190-W207 VanDerWaalsContact O-NE1 3.1Å
191	A	91.9	Very high	76	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	C	.	.			trans	-65.6	144.9	176	0	0	0	0	0	111.5	E193 L194 V204 W207	A191-E193 VanDerWaalsContact C-N 3.28Å; A191-E193 HydrophobicContact CB-CG 4.41Å; A191-E193 WeakPolarHBondContact CB-OE2 3.43Å; A191-E193 PolarHBondContact O-N 3.24Å; A191-L194 HydrophobicContact CB-CD1 4.32Å; A191-L194 WeakPolarHBondContact O-CB 3.39Å; A191-L194 PolarHBondContact O-N 3.45Å; A191-V204 HydrophobicContact CB-CB 4.02Å; A191-V204 HydrophobicContact CB-CG1 4Å; A191-W207 VanDerWaalsContact CA-CD1 3.47Å; A191-W207 HydrophobicContact CB-CB 3.9Å; A191-W207 HydrophobicContact CB-CG 3.97Å
192	P	91.4	Very high	78.2	Confident	1 Å²	1	47 Å²	47	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-55.1	-39.4	-177.1	-26.7	34.1	0	0	0	114.2	L194 I195 E196 W207 W284	P192-L194 PolarHBondContact O-N 2.85Å; P192-I195 WeakPolarHBondContact O-CB 3.43Å; P192-I195 PolarHBondContact O-N 3.29Å; P192-E196 WeakPolarHBondContact O-CG 3.46Å; P192-E196 PolarHBondContact O-N 2.93Å; P192-W207 HydrophobicContact CG-CH2 3.96Å; P192-W207 HydrophobicContact CG-CZ2 4.06Å; P192-W207 HydrophobicContact CG-CZ3 4.21Å; P192-W284 HydrophobicContact CB-CD2 4.1Å; P192-W284 HydrophobicContact CB-CE3 4.11Å; P192-W284 HydrophobicContact CB-CH2 3.65Å; P192-W284 HydrophobicContact CB-CZ2 3.61Å; P192-W284 HydrophobicContact CB-CZ3 3.88Å; P192-W284 HydrophobicContact CG-CD2 3.91Å; P192-W284 HydrophobicContact CG-CE3 3.58Å; P192-W284 HydrophobicContact CG-CH2 3.9Å; P192-W284 HydrophobicContact CG-CZ2 4.18Å; P192-W284 HydrophobicContact CG-CZ3 3.57Å
193	E	90.7	Very high	80.3	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-26.4	-179.3	62.2	-90.9	-147.3	0	0	113.2	A191 R197 Q198 V204 P286 R289	A191-E193 VanDerWaalsContact C-N 3.28Å; A191-E193 HydrophobicContact CB-CG 4.41Å; A191-E193 WeakPolarHBondContact CB-OE2 3.43Å; A191-E193 PolarHBondContact O-N 3.24Å; E193-R197 PolarHBondContact O-N 3.41Å; E193-Q198 HydrophobicContact CB-CB 4.31Å; E193-Q198 PolarHBondContact O-N 2.76Å; E193-V204 HydrophobicContact CG-CG1 4.03Å; E193-V204 WeakPolarHBondContact OE1-CG1 3.47Å; E193-P286 HydrophobicContact CB-CG 4.43Å; E193-P286 HydrophobicContact CG-CB 4.26Å; E193-R289 IonicContact OE1-CZ 3.06Å; E193-R289 IonicContact OE1-NH1 3.33Å; E193-R289 PolarHBondContact OE1-NH1 3.43Å; E193-R289 IonicContact OE1-NH2 3.94Å; E193-R289 IonicContact OE2-CZ 3.81Å; E193-R289 IonicContact OE2-NH1 2.76Å; E193-R289 PolarHBondContact OE2-NH1 3.42Å; E193-R289 IonicContact OE2-NH2 2.73Å; E193-R289 PolarHBondContact OE2-NH2 3.08Å
194	L	85.3	Confident	82.3	Confident	4 Å²	4	41 Å²	41	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-74.6	-35	174.4	-72.2	166.6	0	0	0	111.2	F183 L190 A191 P192 R197 Y200 V204	F183-L194 WeakPolarHBondContact CD2-O 3.47Å; L190-L194 HydrophobicContact CD1-CB 3.88Å; L190-L194 HydrophobicContact CD1-CD1 3.39Å; L190-L194 HydrophobicContact CD1-CG 4.24Å; L190-L194 HydrophobicContact CD2-CB 4.01Å; L190-L194 HydrophobicContact CG-CB 3.76Å; L190-L194 HydrophobicContact CG-CD1 4.07Å; A191-L194 HydrophobicContact CB-CD1 4.32Å; A191-L194 WeakPolarHBondContact O-CB 3.39Å; A191-L194 PolarHBondContact O-N 3.45Å; P192-L194 PolarHBondContact O-N 2.85Å; L194-R197 PolarHBondContact O-N 2.94Å; L194-Y200 HydrophobicContact CD2-CD1 3.33Å; L194-Y200 HydrophobicContact CD2-CD2 4.41Å; L194-Y200 HydrophobicContact CD2-CE1 3.32Å; L194-Y200 HydrophobicContact CD2-CE2 4.44Å; L194-Y200 HydrophobicContact CD2-CG 3.89Å; L194-Y200 HydrophobicContact CG-CD1 4.33Å; L194-V204 HydrophobicContact CD1-CB 3.94Å; L194-V204 HydrophobicContact CD1-CG1 3.84Å; L194-V204 HydrophobicContact CD1-CG2 4.49Å; L194-V204 HydrophobicContact CG-CG1 4.02Å
195	I	82.9	Confident	84.3	Confident	37 Å²	37	40.2 Å²	40.2	19%	0.19	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-41.5	173.8	-58.9	170.7	0	0	0	110	L190 P192 R197 W232	L190-I195 HydrophobicContact CD2-CG1 3.87Å; L190-I195 HydrophobicContact CG-CG1 4.42Å; P192-I195 WeakPolarHBondContact O-CB 3.43Å; P192-I195 PolarHBondContact O-N 3.29Å; I195-R197 PolarHBondContact O-N 3.44Å; I195-W232 HydrophobicContact CD1-CE3 4.24Å; I195-W232 HydrophobicContact CD1-CH2 4.39Å; I195-W232 HydrophobicContact CD1-CZ3 3.62Å
196	E	85.1	Confident	86.2	Confident	59 Å²	59	40.7 Å²	40.7	28%	0.276	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.3	178.2	-64.9	176.9	179.8	0	0	113.4	P192 Q198 H233	P192-E196 WeakPolarHBondContact O-CG 3.46Å; P192-E196 PolarHBondContact O-N 2.93Å; E196-Q198 HydrophobicContact CB-CG 3.97Å; E196-Q198 PolarHBondContact O-N 2.9Å; E196-Q198 PolarHBondContact OE2-NE2 2.89Å; E196-H233 WeakPolarHBondContact CG-NE2 3.34Å; E196-H233 IonicContact OE1-CD2 2.73Å; E196-H233 IonicContact OE1-CE1 3.86Å; E196-H233 PolarHBondContact OE1-CE1 3.48Å; E196-H233 IonicContact OE1-NE2 2.87Å; E196-H233 PolarHBondContact OE1-NE2 2.99Å
197	R	81.2	Confident	87.7	Confident	182 Å²	182	39.1 Å²	39.1	69%	0.687	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	30.7	-177.1	-54.9	-178.7	179.5	-170.3	0.1	113.1	E193 L194 I195	E193-R197 PolarHBondContact O-N 3.41Å; L194-R197 PolarHBondContact O-N 2.94Å; I195-R197 PolarHBondContact O-N 3.44Å
198	Q	82.8	Confident	88.8	Confident	91 Å²	91	35.9 Å²	35.9	43%	0.425	17%	0.165	S	C	.	.			trans	-82.3	167.1	176.9	-70.8	179.1	15.9	0	0	111.2	E193 E196	E193-Q198 HydrophobicContact CB-CB 4.31Å; E193-Q198 PolarHBondContact O-N 2.76Å; E196-Q198 HydrophobicContact CB-CG 3.97Å; E196-Q198 PolarHBondContact O-N 2.9Å; E196-Q198 PolarHBondContact OE2-NE2 2.89Å
199	K	80.8	Confident	89.6	Confident	122 Å²	122	31.2 Å²	31.2	53%	0.53	14%	0.143	S	C	.	.			trans	-68.1	132.2	171.4	-68.9	171.7	149.3	-169.1	0	109.9	L179 C180 T181	L179-K199 HydrophobicContact CB-CB 3.81Å; L179-K199 HydrophobicContact CB-CD 3.43Å; L179-K199 VanDerWaalsContact CB-CD 3.43Å; L179-K199 VanDerWaalsContact CB-CE 3.43Å; L179-K199 HydrophobicContact CB-CG 3.63Å; L179-K199 HydrophobicContact CD1-CD 3.76Å; L179-K199 HydrophobicContact CD2-CB 3.67Å; L179-K199 HydrophobicContact CD2-CD 4.1Å; L179-K199 HydrophobicContact CD2-CG 4.34Å; L179-K199 HydrophobicContact CG-CB 4.26Å; L179-K199 HydrophobicContact CG-CD 3.93Å; L179-K199 HydrophobicContact CG-CG 4.42Å; C180-K199 VanDerWaalsContact O-CA 3.31Å; C180-K199 WeakPolarHBondContact O-CA 3.22Å; T181-K199 HydrophobicContact CG2-CG 4.21Å
200	Y	83.4	Confident	90	Very high	4 Å²	4	31 Å²	31	2%	0.016	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-126.7	168	-174.6	59.2	-98.7	0	0	0	113.9	R145 C180 S182 L194 V204	R145-Y200 WeakPolarHBondContact CD-OH 3.42Å; R145-Y200 HydrophobicContact CG-CE2 4.43Å; R145-Y200 PolarHBondContact NH1-OH 3.27Å; C180-Y200 HydrophobicContact CB-CD1 4.13Å; C180-Y200 HydrophobicContact CB-CD2 4.05Å; C180-Y200 HydrophobicContact CB-CE1 3.54Å; C180-Y200 HydrophobicContact CB-CE2 3.41Å; C180-Y200 VanDerWaalsContact CB-CE2 3.41Å; C180-Y200 HydrophobicContact CB-CG 4.37Å; C180-Y200 VanDerWaalsContact CB-OH 3.31Å; C180-Y200 WeakPolarHBondContact CB-OH 3.48Å; C180-Y200 WeakPolarHBondContact O-CD1 3.5Å; C180-Y200 WeakPolarHBondContact O-CE1 3.45Å; C180-Y200 PolarHBondContact O-N 2.82Å; S182-Y200 PolarHBondContact OG-OH 2.99Å; S182-Y200 VanDerWaalsContact OG-OH 3.05Å; L194-Y200 HydrophobicContact CD2-CD1 3.33Å; L194-Y200 HydrophobicContact CD2-CD2 4.41Å; L194-Y200 HydrophobicContact CD2-CE1 3.32Å; L194-Y200 HydrophobicContact CD2-CE2 4.44Å; L194-Y200 HydrophobicContact CD2-CG 3.89Å; L194-Y200 HydrophobicContact CG-CD1 4.33Å; Y200-V204 HydrophobicContact CD2-CG1 4.1Å; Y200-V204 HydrophobicContact CD2-CG2 4.42Å; Y200-V204 HydrophobicContact CG-CG1 4.02Å
201	T	88.8	Confident	90.5	Very high	68 Å²	68	31 Å²	31	42%	0.417	14%	0.142	S	C	.	.			trans	-130.7	-170	-179.4	77.2	0	0	0	0	111	S203 V204	T201-S203 PolarHBondContact O-N 3.5Å; T201-S203 WeakPolarHBondContact OG1-CB 3.42Å; T201-S203 PolarHBondContact OG1-N 3.18Å; T201-S203 PolarHBondContact OG1-OG 2.94Å; T201-V204 WeakPolarHBondContact O-CG2 3.33Å; T201-V204 PolarHBondContact O-N 3.35Å
202	V	90.2	Very high	90.8	Very high	34 Å²	34	31 Å²	31	21%	0.206	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-21.6	170.8	-65.8	0	0	0	0	113.2	H138 I143 L174 V204 D205 Y206	H138-V202 HydrophobicContact CB-CG1 4.46Å; I143-V202 HydrophobicContact CD1-CG1 4.14Å; I143-V202 HydrophobicContact CG1-CG1 3.92Å; L174-V202 HydrophobicContact CD1-CG1 4.15Å; V202-V204 PolarHBondContact O-N 3.48Å; V202-D205 PolarHBondContact O-N 3.45Å; V202-Y206 HydrophobicContact CG2-CE2 4.29Å; V202-Y206 WeakPolarHBondContact CG2-OH 3.43Å
203	S	92.7	Very high	91.1	Very high	2 Å²	2	31 Å²	31	1%	0.014	14%	0.142	C	C	.	.	H	α-helix	trans	-54.6	-22.5	176.5	64.7	0	0	0	0	114.6	T201 D205 Y206 W207 P286 R289	T201-S203 PolarHBondContact O-N 3.5Å; T201-S203 WeakPolarHBondContact OG1-CB 3.42Å; T201-S203 PolarHBondContact OG1-N 3.18Å; T201-S203 PolarHBondContact OG1-OG 2.94Å; S203-D205 VanDerWaalsContact C-N 3.33Å; S203-Y206 WeakPolarHBondContact O-CB 3.41Å; S203-Y206 PolarHBondContact O-N 3.39Å; S203-W207 PolarHBondContact O-N 3.13Å; S203-P286 WeakPolarHBondContact CB-O 3.33Å; S203-P286 PolarHBondContact OG-O 2.62Å; S203-R289 VanDerWaalsContact O-CD 3.25Å; S203-R289 WeakPolarHBondContact O-CD 3.49Å; S203-R289 PolarHBondContact O-NH1 3.08Å
204	V	93.1	Very high	91.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-38	175.7	-60.1	0	0	0	0	111.7	I143 R145 A191 E193 L194 Y200 T201 V202 Y206 W207 S208	I143-V204 HydrophobicContact CG2-CG2 3.63Å; R145-V204 HydrophobicContact CG-CG2 4.27Å; A191-V204 HydrophobicContact CB-CB 4.02Å; A191-V204 HydrophobicContact CB-CG1 4Å; E193-V204 HydrophobicContact CG-CG1 4.03Å; E193-V204 WeakPolarHBondContact OE1-CG1 3.47Å; L194-V204 HydrophobicContact CD1-CB 3.94Å; L194-V204 HydrophobicContact CD1-CG1 3.84Å; L194-V204 HydrophobicContact CD1-CG2 4.49Å; L194-V204 HydrophobicContact CG-CG1 4.02Å; Y200-V204 HydrophobicContact CD2-CG1 4.1Å; Y200-V204 HydrophobicContact CD2-CG2 4.42Å; Y200-V204 HydrophobicContact CG-CG1 4.02Å; T201-V204 WeakPolarHBondContact O-CG2 3.33Å; T201-V204 PolarHBondContact O-N 3.35Å; V202-V204 PolarHBondContact O-N 3.48Å; V204-Y206 VanDerWaalsContact C-N 3.27Å; V204-Y206 PolarHBondContact O-N 3.49Å; V204-W207 PolarHBondContact O-N 3.33Å; V204-S208 PolarHBondContact O-N 3.04Å; V204-S208 VanDerWaalsContact O-N 3.16Å; V204-S208 PolarHBondContact O-OG 3.19Å
205	D	95	Very high	92.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.7	-29.4	177.5	-69.3	-16.2	0	0	0	110.7	L134 H138 I143 H144 R145 V202 S203 S208 F209	L134-D205 HydrophobicContact CD2-CB 4.1Å; H138-D205 IonicContact CD2-OD2 3.76Å; H138-D205 IonicContact CE1-OD2 2.89Å; H138-D205 IonicContact NE2-OD2 3.81Å; H138-D205 PolarHBondContact NE2-OD2 3.38Å; I143-D205 WeakPolarHBondContact CG2-OD2 3.47Å; H144-D205 PolarHBondContact N-OD1 2.96Å; H144-D205 PolarHBondContact N-OD2 3.45Å; R145-D205 PolarHBondContact N-OD1 3.19Å; V202-D205 PolarHBondContact O-N 3.45Å; S203-D205 VanDerWaalsContact C-N 3.33Å; D205-S208 PolarHBondContact O-N 3.29Å; D205-F209 VanDerWaalsContact O-CB 3.26Å; D205-F209 WeakPolarHBondContact O-CB 3.47Å; D205-F209 PolarHBondContact O-N 3.19Å
206	Y	96.8	Very high	92.8	Very high	37 Å²	37	29.6 Å²	29.6	15%	0.145	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-42.1	175.5	-55	-15.7	0	0	0	111.5	H138 V202 S203 V204 F209 G210 M281 F301	H138-Y206 AromaticContact CE1-CE1 3.55Å; H138-Y206 AromaticContact ND1-CE1 3.74Å; V202-Y206 HydrophobicContact CG2-CE2 4.29Å; V202-Y206 WeakPolarHBondContact CG2-OH 3.43Å; S203-Y206 WeakPolarHBondContact O-CB 3.41Å; S203-Y206 PolarHBondContact O-N 3.39Å; V204-Y206 VanDerWaalsContact C-N 3.27Å; V204-Y206 PolarHBondContact O-N 3.49Å; Y206-F209 PolarHBondContact O-N 2.9Å; Y206-G210 PolarHBondContact O-N 3.4Å; Y206-M281 HydrophobicContact CD1-CE 4.44Å; Y206-M281 HydrophobicContact CG-CE 4.32Å; Y206-M281 WeakPolarHBondContact O-CE 3.23Å; Y206-F301 HydrophobicContact CD1-CE2 4.28Å; Y206-F301 HydrophobicContact CD1-CZ 4.19Å; Y206-F301 AromaticContact CE1-CE2 3.56Å; Y206-F301 HydrophobicContact CE1-CE2 3.56Å; Y206-F301 AromaticContact CE1-CZ 3.86Å; Y206-F301 HydrophobicContact CE1-CZ 3.86Å
207	W	96.8	Very high	93.4	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.011	12%	0.121	C	C	.	.	H	α-helix	trans	-63.2	-48.1	174.7	177	-86.2	0	0	0	111.4	L190 A191 P192 S203 V204 F209 G210 T211 F223 W232 L282 W284	L190-W207 PolarHBondContact O-NE1 3.28Å; L190-W207 VanDerWaalsContact O-NE1 3.1Å; A191-W207 VanDerWaalsContact CA-CD1 3.47Å; A191-W207 HydrophobicContact CB-CB 3.9Å; A191-W207 HydrophobicContact CB-CG 3.97Å; P192-W207 HydrophobicContact CG-CH2 3.96Å; P192-W207 HydrophobicContact CG-CZ2 4.06Å; P192-W207 HydrophobicContact CG-CZ3 4.21Å; S203-W207 PolarHBondContact O-N 3.13Å; V204-W207 PolarHBondContact O-N 3.33Å; W207-F209 VanDerWaalsContact C-N 3.29Å; W207-F209 PolarHBondContact O-N 3.49Å; W207-G210 PolarHBondContact O-N 3Å; W207-T211 HydrophobicContact CD2-CG2 4.46Å; W207-T211 HydrophobicContact CG-CG2 4.48Å; W207-T211 WeakPolarHBondContact O-CB 3.44Å; W207-T211 WeakPolarHBondContact O-CG2 3.5Å; W207-T211 PolarHBondContact O-N 3.3Å; W207-T211 PolarHBondContact O-OG1 3.19Å; W207-F223 AromaticContact CH2-CD2 3.77Å; W207-F223 HydrophobicContact CH2-CD2 3.77Å; W207-F223 AromaticContact CH2-CE2 3.32Å; W207-F223 HydrophobicContact CH2-CE2 3.32Å; W207-F223 HydrophobicContact CH2-CZ 4.13Å; W207-F223 AromaticContact CZ2-CD2 3.61Å; W207-F223 HydrophobicContact CZ2-CD2 3.61Å; W207-F223 AromaticContact CZ2-CE2 3.55Å; W207-F223 HydrophobicContact CZ2-CE2 3.55Å; W207-F223 HydrophobicContact CZ3-CE2 4.05Å; W207-W232 HydrophobicContact CZ2-CH2 4.16Å; W207-W232 HydrophobicContact CZ2-CZ2 4.31Å; W207-L282 HydrophobicContact CE3-CD2 4.41Å; W207-L282 WeakPolarHBondContact CZ3-O 3.45Å; W207-W284 HydrophobicContact CH2-CE3 4.46Å
208	S	96.8	Very high	94.2	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-60.9	-39.4	177.7	-60.8	0	0	0	0	111.7	L147 Y189 V204 D205 T211 L212	L147-S208 WeakPolarHBondContact O-CB 3.31Å; Y189-S208 PolarHBondContact O-OG 3.49Å; V204-S208 PolarHBondContact O-N 3.04Å; V204-S208 VanDerWaalsContact O-N 3.16Å; V204-S208 PolarHBondContact O-OG 3.19Å; D205-S208 PolarHBondContact O-N 3.29Å; S208-T211 WeakPolarHBondContact CA-OG1 3.5Å; S208-T211 PolarHBondContact O-OG1 2.86Å; S208-L212 WeakPolarHBondContact O-CB 3.39Å; S208-L212 PolarHBondContact O-N 3.24Å
209	F	98.1	Very high	94.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.1	-44.2	176.4	-173.2	-148.6	0	0	0	112.2	L127 I130 L134 L147 D205 Y206 W207 T211 L212 V213 W277 M281 F301 L304	L127-F209 HydrophobicContact CD2-CE2 4.45Å; L127-F209 HydrophobicContact CD2-CZ 3.91Å; I130-F209 HydrophobicContact CB-CD2 4.47Å; I130-F209 HydrophobicContact CB-CE2 3.75Å; I130-F209 HydrophobicContact CB-CZ 4.09Å; I130-F209 HydrophobicContact CG2-CD2 3.7Å; I130-F209 HydrophobicContact CG2-CE2 3.47Å; I130-F209 VanDerWaalsContact CG2-CE2 3.47Å; I130-F209 HydrophobicContact CG2-CG 4.46Å; I130-F209 HydrophobicContact CG2-CZ 4.05Å; L134-F209 HydrophobicContact CD1-CB 3.9Å; L134-F209 HydrophobicContact CD1-CD1 3.76Å; L134-F209 HydrophobicContact CD1-CD2 4.49Å; L134-F209 HydrophobicContact CD1-CE1 4.43Å; L134-F209 HydrophobicContact CD1-CG 3.82Å; L147-F209 HydrophobicContact CD2-CB 3.82Å; L147-F209 HydrophobicContact CD2-CD2 4.38Å; L147-F209 HydrophobicContact CD2-CG 4.4Å; D205-F209 VanDerWaalsContact O-CB 3.26Å; D205-F209 WeakPolarHBondContact O-CB 3.47Å; D205-F209 PolarHBondContact O-N 3.19Å; Y206-F209 PolarHBondContact O-N 2.9Å; W207-F209 VanDerWaalsContact C-N 3.29Å; W207-F209 PolarHBondContact O-N 3.49Å; F209-T211 PolarHBondContact O-N 3.4Å; F209-L212 PolarHBondContact O-N 3Å; F209-V213 HydrophobicContact CD2-CG2 3.7Å; F209-V213 HydrophobicContact CE2-CG2 3.4Å; F209-V213 VanDerWaalsContact CE2-CG2 3.4Å; F209-V213 HydrophobicContact CG-CG2 4.48Å; F209-V213 HydrophobicContact CZ-CG2 3.98Å; F209-V213 WeakPolarHBondContact O-CB 3.49Å; F209-V213 WeakPolarHBondContact O-CG2 3.3Å; F209-V213 PolarHBondContact O-N 3.09Å; F209-W277 AromaticContact CD1-CH2 3.92Å; F209-W277 HydrophobicContact CD1-CH2 3.92Å; F209-W277 HydrophobicContact CD1-CZ2 4.05Å; F209-W277 AromaticContact CE1-CH2 3.76Å; F209-W277 HydrophobicContact CE1-CH2 3.76Å; F209-W277 AromaticContact CE1-CZ2 3.76Å; F209-W277 HydrophobicContact CE1-CZ2 3.76Å; F209-W277 HydrophobicContact CG-CH2 4.49Å; F209-W277 HydrophobicContact CZ-CH2 4.22Å; F209-M281 HydrophobicContact CB-CE 4.08Å; F209-M281 HydrophobicContact CD1-CE 3.58Å; F209-M281 HydrophobicContact CE1-CE 4.47Å; F209-M281 HydrophobicContact CG-CE 4.24Å; F209-F301 HydrophobicContact CD1-CE1 4.47Å; F209-F301 HydrophobicContact CE1-CE1 4.33Å; F209-L304 HydrophobicContact CE1-CD2 4.25Å
210	G	98.2	Very high	95.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.5	-43	176.3	0	0	0	0	0	112.8	Y206 W207 L212 V213 F214 L278	Y206-G210 PolarHBondContact O-N 3.4Å; W207-G210 PolarHBondContact O-N 3Å; G210-L212 VanDerWaalsContact C-N 3.34Å; G210-L212 PolarHBondContact O-N 2.95Å; G210-V213 PolarHBondContact O-N 2.75Å; G210-F214 WeakPolarHBondContact O-CB 3.37Å; G210-F214 PolarHBondContact O-N 2.93Å; G210-L278 WeakPolarHBondContact O-CD2 3.47Å
211	T	97.9	Very high	95.9	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-37.6	177.7	52.2	0	0	0	0	111.9	W207 S208 F209 E215 P222 L282	W207-T211 HydrophobicContact CD2-CG2 4.46Å; W207-T211 HydrophobicContact CG-CG2 4.48Å; W207-T211 WeakPolarHBondContact O-CB 3.44Å; W207-T211 WeakPolarHBondContact O-CG2 3.5Å; W207-T211 PolarHBondContact O-N 3.3Å; W207-T211 PolarHBondContact O-OG1 3.19Å; S208-T211 WeakPolarHBondContact CA-OG1 3.5Å; S208-T211 PolarHBondContact O-OG1 2.86Å; F209-T211 PolarHBondContact O-N 3.4Å; T211-E215 PolarHBondContact O-N 3.36Å; T211-E215 VanDerWaalsContact O-N 3.11Å; T211-P222 HydrophobicContact CG2-CG 3.75Å; T211-L282 HydrophobicContact CG2-CD2 3.62Å
212	L	98.2	Very high	96.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.5	-48.7	174.8	-175.5	153.2	0	0	0	112	L105 L126 L147 P149 I152 S208 F209 G210 F214 E215 C216	L105-L212 HydrophobicContact CD2-CD1 4.47Å; L105-L212 HydrophobicContact CD2-CD2 3.98Å; L105-L212 HydrophobicContact CD2-CG 4.43Å; L126-L212 HydrophobicContact CD2-CD2 3.83Å; L147-L212 HydrophobicContact CG-CD1 4.41Å; P149-L212 HydrophobicContact CG-CD1 4.27Å; P149-L212 HydrophobicContact CG-CG 4.26Å; I152-L212 HydrophobicContact CD1-CD1 3.43Å; I152-L212 VanDerWaalsContact CD1-CD1 3.43Å; I152-L212 HydrophobicContact CD1-CD2 4.08Å; I152-L212 HydrophobicContact CD1-CG 4.41Å; I152-L212 HydrophobicContact CG1-CD1 4.43Å; S208-L212 WeakPolarHBondContact O-CB 3.39Å; S208-L212 PolarHBondContact O-N 3.24Å; F209-L212 PolarHBondContact O-N 3Å; G210-L212 VanDerWaalsContact C-N 3.34Å; G210-L212 PolarHBondContact O-N 2.95Å; L212-F214 VanDerWaalsContact C-N 3.34Å; L212-F214 PolarHBondContact O-N 3.06Å; L212-E215 PolarHBondContact O-N 2.87Å; L212-C216 PolarHBondContact O-N 3.4Å; L212-C216 PolarHBondContact O-SG 3.29Å
213	V	98.5	Very high	96.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.4	-43.1	178.1	169.3	0	0	0	0	110.7	L127 F209 G210 E215 C216 I217 W277 L278	L127-V213 HydrophobicContact CD2-CB 4.36Å; L127-V213 HydrophobicContact CD2-CG1 3.88Å; L127-V213 HydrophobicContact CD2-CG2 3.52Å; L127-V213 HydrophobicContact CG-CG2 4.48Å; F209-V213 HydrophobicContact CD2-CG2 3.7Å; F209-V213 HydrophobicContact CE2-CG2 3.4Å; F209-V213 VanDerWaalsContact CE2-CG2 3.4Å; F209-V213 HydrophobicContact CG-CG2 4.48Å; F209-V213 HydrophobicContact CZ-CG2 3.98Å; F209-V213 WeakPolarHBondContact O-CB 3.49Å; F209-V213 WeakPolarHBondContact O-CG2 3.3Å; F209-V213 PolarHBondContact O-N 3.09Å; G210-V213 PolarHBondContact O-N 2.75Å; V213-E215 VanDerWaalsContact C-N 3.3Å; V213-E215 PolarHBondContact O-N 3.11Å; V213-C216 WeakPolarHBondContact O-CB 3.26Å; V213-C216 PolarHBondContact O-N 3.47Å; V213-C216 VanDerWaalsContact O-N 3.1Å; V213-I217 HydrophobicContact CG1-CD1 3.68Å; V213-I217 HydrophobicContact CG1-CG1 4.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.42Å; V213-I217 PolarHBondContact O-N 3.38Å; V213-W277 HydrophobicContact CB-CH2 4.36Å; V213-W277 HydrophobicContact CB-CZ3 3.94Å; V213-W277 HydrophobicContact CG1-CH2 4.5Å; V213-W277 HydrophobicContact CG1-CZ3 3.76Å; V213-W277 HydrophobicContact CG2-CH2 3.98Å; V213-W277 HydrophobicContact CG2-CZ3 4.04Å; V213-L278 HydrophobicContact CB-CD2 4.41Å; V213-L278 HydrophobicContact CG1-CD2 4.28Å
214	F	98.6	Very high	96.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-56.4	-45.5	174.9	-178.2	-77	0	0	0	111.6	G210 L212 C216 I217 T218 F220 P222 I244 V245 L260 P261 L278	G210-F214 WeakPolarHBondContact O-CB 3.37Å; G210-F214 PolarHBondContact O-N 2.93Å; L212-F214 VanDerWaalsContact C-N 3.34Å; L212-F214 PolarHBondContact O-N 3.06Å; F214-C216 VanDerWaalsContact C-N 3.31Å; F214-C216 PolarHBondContact O-N 3.3Å; F214-I217 PolarHBondContact O-N 3.06Å; F214-T218 HydrophobicContact CD1-CG2 4.26Å; F214-T218 WeakPolarHBondContact CD1-OG1 3.48Å; F214-T218 HydrophobicContact CE1-CG2 3.87Å; F214-T218 WeakPolarHBondContact CE1-OG1 3.43Å; F214-T218 HydrophobicContact CE2-CG2 4.29Å; F214-T218 HydrophobicContact CZ-CG2 3.9Å; F214-T218 WeakPolarHBondContact O-CB 3.45Å; F214-T218 WeakPolarHBondContact O-CG2 3.5Å; F214-T218 PolarHBondContact O-N 3.43Å; F214-T218 PolarHBondContact O-OG1 3.41Å; F214-F220 WeakPolarHBondContact CD1-O 3.24Å; F214-F220 HydrophobicContact CE1-CD2 4.21Å; F214-F220 AromaticContact CE1-CE2 3.89Å; F214-F220 HydrophobicContact CE1-CE2 3.89Å; F214-F220 HydrophobicContact CE1-CZ 4.24Å; F214-F220 VanDerWaalsContact CE1-O 3.32Å; F214-F220 WeakPolarHBondContact CE1-O 3.38Å; F214-F220 HydrophobicContact CZ-CE2 4.22Å; F214-F220 HydrophobicContact CZ-CZ 4.36Å; F214-P222 HydrophobicContact CB-CB 4.34Å; F214-P222 HydrophobicContact CB-CG 4.22Å; F214-P222 HydrophobicContact CD1-CB 3.64Å; F214-P222 HydrophobicContact CD1-CG 4.06Å; F214-P222 HydrophobicContact CD2-CB 3.91Å; F214-P222 VanDerWaalsContact CE1-CA 3.4Å; F214-P222 HydrophobicContact CE1-CB 3.86Å; F214-P222 HydrophobicContact CE2-CB 4.1Å; F214-P222 HydrophobicContact CG-CB 3.68Å; F214-P222 HydrophobicContact CG-CG 4.06Å; F214-P222 HydrophobicContact CZ-CB 4.07Å; F214-I244 HydrophobicContact CE2-CD1 4.39Å; F214-I244 HydrophobicContact CE2-CG1 4.35Å; F214-V245 HydrophobicContact CE1-CG2 4.36Å; F214-V245 HydrophobicContact CE2-CB 3.83Å; F214-V245 HydrophobicContact CE2-CG2 4.26Å; F214-V245 HydrophobicContact CZ-CB 3.66Å; F214-V245 HydrophobicContact CZ-CG2 3.56Å; F214-L260 HydrophobicContact CD2-CD2 4.22Å; F214-L260 HydrophobicContact CE2-CD2 4.21Å; F214-P261 HydrophobicContact CE2-CG 4.35Å; F214-P261 HydrophobicContact CZ-CG 3.81Å; F214-L278 HydrophobicContact CB-CD2 4.25Å; F214-L278 HydrophobicContact CD2-CD1 4.18Å
215	E	98.1	Very high	96.2	Very high	14 Å²	14	11.6 Å²	11.6	7%	0.065	6%	0.062	C	C	.	.	H	α-helix	trans	-65.3	-36.1	177	-175.6	-179.4	-158.8	0	0	112.2	R106 L109 Y189 T211 L212 V213 I217 T218 G219 F220 R221	R106-E215 IonicContact CZ-OE1 2.72Å; R106-E215 IonicContact NH1-OE1 2.97Å; R106-E215 PolarHBondContact NH1-OE1 2.99Å; R106-E215 IonicContact NH1-OE2 2.78Å; R106-E215 IonicContact NH2-OE1 2.85Å; L109-E215 HydrophobicContact CD1-CG 4.28Å; Y189-E215 WeakPolarHBondContact CE1-OE2 3.45Å; Y189-E215 VanDerWaalsContact CZ-OE2 3.31Å; Y189-E215 VanDerWaalsContact OH-CD 3.26Å; Y189-E215 PolarHBondContact OH-OE1 2.87Å; Y189-E215 PolarHBondContact OH-OE2 3.44Å; T211-E215 PolarHBondContact O-N 3.36Å; T211-E215 VanDerWaalsContact O-N 3.11Å; L212-E215 PolarHBondContact O-N 2.87Å; V213-E215 VanDerWaalsContact C-N 3.3Å; V213-E215 PolarHBondContact O-N 3.11Å; E215-I217 VanDerWaalsContact C-N 3.33Å; E215-I217 PolarHBondContact O-N 2.88Å; E215-T218 PolarHBondContact O-N 3.11Å; E215-G219 WeakPolarHBondContact O-CA 3.37Å; E215-G219 PolarHBondContact O-N 3.34Å; E215-F220 VanDerWaalsContact CA-O 3.28Å; E215-F220 WeakPolarHBondContact CA-O 3.43Å; E215-R221 HydrophobicContact CG-CG 4.4Å
216	C	98.1	Very high	95.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.6	-35.3	175	-69.3	0	0	0	0	112.5	G117 M118 L126 L212 V213 F214	G117-C216 CarbonylContact C-O 3.4Å; G117-C216 WeakPolarHBondContact CA-O 3.49Å; M118-C216 HydrophobicContact CE-CB 3.66Å; M118-C216 PolarHBondContact N-O 3.42Å; M118-C216 HydrophobicContact SD-CB 4.32Å; L126-C216 HydrophobicContact CD2-CB 3.9Å; L126-C216 WeakPolarHBondContact CD2-SG 3.46Å; L212-C216 PolarHBondContact O-N 3.4Å; L212-C216 PolarHBondContact O-SG 3.29Å; V213-C216 WeakPolarHBondContact O-CB 3.26Å; V213-C216 PolarHBondContact O-N 3.47Å; V213-C216 VanDerWaalsContact O-N 3.1Å; F214-C216 VanDerWaalsContact C-N 3.31Å; F214-C216 PolarHBondContact O-N 3.3Å
217	I	98.2	Very high	95.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-75.8	-38.6	177.4	-67.1	165.3	0	0	0	111.9	G117 I123 V213 F214 E215 L260 N264 L266 L274 L278	G117-I217 WeakPolarHBondContact CA-O 3.48Å; I123-I217 HydrophobicContact CD1-CB 4.5Å; I123-I217 HydrophobicContact CD1-CG1 4.03Å; I123-I217 HydrophobicContact CG2-CG1 4.01Å; V213-I217 HydrophobicContact CG1-CD1 3.68Å; V213-I217 HydrophobicContact CG1-CG1 4.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.42Å; V213-I217 PolarHBondContact O-N 3.38Å; F214-I217 PolarHBondContact O-N 3.06Å; E215-I217 VanDerWaalsContact C-N 3.33Å; E215-I217 PolarHBondContact O-N 2.88Å; I217-L260 HydrophobicContact CG2-CD1 4.37Å; I217-L260 HydrophobicContact CG2-CD2 4.04Å; I217-N264 HydrophobicContact CG2-CB 3.95Å; I217-N264 WeakPolarHBondContact O-CB 3.21Å; I217-L266 HydrophobicContact CB-CD1 4.46Å; I217-L266 HydrophobicContact CD1-CD1 3.95Å; I217-L266 HydrophobicContact CG1-CD1 3.96Å; I217-L266 HydrophobicContact CG2-CD1 3.65Å; I217-L266 HydrophobicContact CG2-CG 4.18Å; I217-L274 HydrophobicContact CD1-CB 4.5Å; I217-L274 HydrophobicContact CD1-CD1 4.24Å; I217-L278 HydrophobicContact CD1-CD1 4.18Å
218	T	96.6	Very high	94.5	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.025	13%	0.131	C	C	.	.	H	α-helix	trans	-112.3	-15.3	-166.2	64.6	0	0	0	0	114.7	C116 F214 E215 F220 L260 P261	C116-T218 CarbonylContact C-O 3.5Å; F214-T218 HydrophobicContact CD1-CG2 4.26Å; F214-T218 WeakPolarHBondContact CD1-OG1 3.48Å; F214-T218 HydrophobicContact CE1-CG2 3.87Å; F214-T218 WeakPolarHBondContact CE1-OG1 3.43Å; F214-T218 HydrophobicContact CE2-CG2 4.29Å; F214-T218 HydrophobicContact CZ-CG2 3.9Å; F214-T218 WeakPolarHBondContact O-CB 3.45Å; F214-T218 WeakPolarHBondContact O-CG2 3.5Å; F214-T218 PolarHBondContact O-N 3.43Å; F214-T218 PolarHBondContact O-OG1 3.41Å; E215-T218 PolarHBondContact O-N 3.11Å; T218-F220 VanDerWaalsContact C-N 3.31Å; T218-F220 WeakPolarHBondContact O-CD1 3.46Å; T218-F220 PolarHBondContact OG1-N 2.97Å; T218-F220 PolarHBondContact OG1-O 3.27Å; T218-L260 HydrophobicContact CG2-CD2 4.29Å; T218-P261 HydrophobicContact CG2-CB 4.48Å; T218-P261 HydrophobicContact CG2-CG 4.38Å
219	G	95.2	Very high	93.8	Very high	29 Å²	29	27.1 Å²	27.1	30%	0.299	14%	0.144	S	C	.	.	S	Bend	trans	80.8	2.1	-174.2	0	0	0	0	0	114.7	E215	E215-G219 WeakPolarHBondContact O-CA 3.37Å; E215-G219 PolarHBondContact O-N 3.34Å
220	F	93.3	Very high	93.2	Very high	39 Å²	39	32 Å²	32	17%	0.171	17%	0.173	C	C	.	.	S	Bend	trans	-146.4	157.8	176.9	67	-85.2	0	0	0	112	F214 E215 T218 V245 P261	F214-F220 WeakPolarHBondContact CD1-O 3.24Å; F214-F220 HydrophobicContact CE1-CD2 4.21Å; F214-F220 AromaticContact CE1-CE2 3.89Å; F214-F220 HydrophobicContact CE1-CE2 3.89Å; F214-F220 HydrophobicContact CE1-CZ 4.24Å; F214-F220 VanDerWaalsContact CE1-O 3.32Å; F214-F220 WeakPolarHBondContact CE1-O 3.38Å; F214-F220 HydrophobicContact CZ-CE2 4.22Å; F214-F220 HydrophobicContact CZ-CZ 4.36Å; E215-F220 VanDerWaalsContact CA-O 3.28Å; E215-F220 WeakPolarHBondContact CA-O 3.43Å; T218-F220 VanDerWaalsContact C-N 3.31Å; T218-F220 WeakPolarHBondContact O-CD1 3.46Å; T218-F220 PolarHBondContact OG1-N 2.97Å; T218-F220 PolarHBondContact OG1-O 3.27Å; F220-V245 HydrophobicContact CE2-CG2 4.13Å; F220-P261 HydrophobicContact CE1-CB 4.35Å; F220-P261 HydrophobicContact CZ-CB 3.94Å; F220-P261 HydrophobicContact CZ-CG 3.84Å
221	R	94.9	Very high	92.8	Very high	53 Å²	53	35 Å²	35	20%	0.2	19%	0.193	C	C	.	.			trans	-74.5	150.9	-178.6	-59.6	176.5	-76.2	-118.9	2.7	112.3	Y189 E215 F223 P225	Y189-R221 HydrophobicContact CE1-CG 4.31Å; E215-R221 HydrophobicContact CG-CG 4.4Å; R221-F223 PolarHBondContact O-N 3.16Å; R221-P225 HydrophobicContact CB-CB 4.15Å; R221-P225 PolarHBondContact NH2-O 3.38Å
222	P	96.6	Very high	92.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.013	20%	0.197	C	C	.	.	S	Bend	trans	-66.8	-32.5	-170	21.8	-32	0	0	0	115.3	T211 F214 I244 V245 V246 L282	T211-P222 HydrophobicContact CG2-CG 3.75Å; F214-P222 HydrophobicContact CB-CB 4.34Å; F214-P222 HydrophobicContact CB-CG 4.22Å; F214-P222 HydrophobicContact CD1-CB 3.64Å; F214-P222 HydrophobicContact CD1-CG 4.06Å; F214-P222 HydrophobicContact CD2-CB 3.91Å; F214-P222 VanDerWaalsContact CE1-CA 3.4Å; F214-P222 HydrophobicContact CE1-CB 3.86Å; F214-P222 HydrophobicContact CE2-CB 4.1Å; F214-P222 HydrophobicContact CG-CB 3.68Å; F214-P222 HydrophobicContact CG-CG 4.06Å; F214-P222 HydrophobicContact CZ-CB 4.07Å; P222-I244 WeakPolarHBondContact CB-O 3.42Å; P222-V245 CarbonylContact O-C 3.58Å; P222-V245 VanDerWaalsContact O-CA 3.29Å; P222-V245 WeakPolarHBondContact O-CA 3.42Å; P222-V245 VanDerWaalsContact O-CG2 3.25Å; P222-V245 WeakPolarHBondContact O-CG2 3.26Å; P222-V246 PolarHBondContact O-N 2.97Å; P222-L282 HydrophobicContact CB-CD1 4.25Å; P222-L282 HydrophobicContact CG-CD1 4.28Å
223	F	96	Very high	92.1	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.039	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-122.6	103.6	-168.5	-53.8	-55.9	0	0	0	111.3	W207 R221 W232 V236 K239 V246 L282	W207-F223 AromaticContact CH2-CD2 3.77Å; W207-F223 HydrophobicContact CH2-CD2 3.77Å; W207-F223 AromaticContact CH2-CE2 3.32Å; W207-F223 HydrophobicContact CH2-CE2 3.32Å; W207-F223 HydrophobicContact CH2-CZ 4.13Å; W207-F223 AromaticContact CZ2-CD2 3.61Å; W207-F223 HydrophobicContact CZ2-CD2 3.61Å; W207-F223 AromaticContact CZ2-CE2 3.55Å; W207-F223 HydrophobicContact CZ2-CE2 3.55Å; W207-F223 HydrophobicContact CZ3-CE2 4.05Å; R221-F223 PolarHBondContact O-N 3.16Å; F223-W232 HydrophobicContact CB-CZ2 3.98Å; F223-W232 HydrophobicContact CD2-CZ2 4.45Å; F223-W232 PolarHBondContact O-NE1 3.29Å; F223-V236 HydrophobicContact CB-CG1 4.05Å; F223-V236 HydrophobicContact CB-CG2 3.89Å; F223-V236 HydrophobicContact CD1-CG1 4Å; F223-V236 HydrophobicContact CD2-CG1 4.37Å; F223-V236 HydrophobicContact CG-CG1 3.88Å; F223-K239 HydrophobicContact CE1-CD 4.4Å; F223-K239 HydrophobicContact CZ-CD 4.42Å; F223-V246 HydrophobicContact CD1-CB 4.05Å; F223-V246 HydrophobicContact CD1-CG2 3.79Å; F223-V246 HydrophobicContact CE1-CG2 4.19Å; F223-L282 HydrophobicContact CE2-CB 4.35Å; F223-L282 HydrophobicContact CE2-CD1 4.36Å; F223-L282 HydrophobicContact CE2-CD2 4.11Å; F223-L282 HydrophobicContact CZ-CB 4.06Å; F223-L282 HydrophobicContact CZ-CD1 4.13Å; F223-L282 HydrophobicContact CZ-CG 4.49Å
224	L	91.1	Very high	91.8	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	23%	0.229	C	C	.	.			trans	35.9	62.5	170.1	-61.9	172.8	0	0	0	114.1	T226 W227 K235 V236 V246 I254	L224-T226 PolarHBondContact O-N 3.4Å; L224-W227 HydrophobicContact CB-CB 4.08Å; L224-W227 HydrophobicContact CB-CD2 4.15Å; L224-W227 HydrophobicContact CB-CG 3.78Å; L224-W227 HydrophobicContact CD1-CD2 3.84Å; L224-W227 HydrophobicContact CD1-CE3 3.86Å; L224-W227 HydrophobicContact CD1-CG 4.37Å; L224-W227 HydrophobicContact CD1-CH2 4.41Å; L224-W227 HydrophobicContact CD1-CZ2 4.37Å; L224-W227 HydrophobicContact CD1-CZ3 4.16Å; L224-W227 HydrophobicContact CG-CD2 4.41Å; L224-W227 WeakPolarHBondContact O-CB 3.48Å; L224-W227 PolarHBondContact O-N 2.91Å; L224-K235 HydrophobicContact CD1-CB 4.11Å; L224-K235 HydrophobicContact CD1-CG 3.88Å; L224-V236 HydrophobicContact CD1-CG2 4.33Å; L224-V246 HydrophobicContact CD1-CG1 4.01Å; L224-V246 HydrophobicContact CD2-CG1 4.37Å; L224-V246 HydrophobicContact CG-CB 4.45Å; L224-V246 HydrophobicContact CG-CG1 3.97Å; L224-V246 PolarHBondContact N-O 3.2Å; L224-I254 HydrophobicContact CD1-CG2 4.47Å; L224-I254 HydrophobicContact CD2-CD1 3.94Å; L224-I254 HydrophobicContact CD2-CG2 4.49Å
225	P	86.5	Confident	91.6	Very high	45 Å²	45	45.6 Å²	45.6	29%	0.292	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.5	-165.4	19.4	-32.4	0	0	0	116.7	R221	R221-P225 HydrophobicContact CB-CB 4.15Å; R221-P225 PolarHBondContact NH2-O 3.38Å
226	T	83.7	Confident	91.4	Very high	101 Å²	101	44.9 Å²	44.9	62%	0.62	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.8	-178.2	52.2	0	0	0	0	112.8	L224	L224-T226 PolarHBondContact O-N 3.4Å
227	W	86.4	Confident	91.3	Very high	82 Å²	82	52.2 Å²	52.2	31%	0.311	27%	0.267	S	S	.	.	S	Bend	trans	-80.2	149	-175.5	-76.9	38.7	0	0	0	111.8	L224 P231 W232 K235 I254	L224-W227 HydrophobicContact CB-CB 4.08Å; L224-W227 HydrophobicContact CB-CD2 4.15Å; L224-W227 HydrophobicContact CB-CG 3.78Å; L224-W227 HydrophobicContact CD1-CD2 3.84Å; L224-W227 HydrophobicContact CD1-CE3 3.86Å; L224-W227 HydrophobicContact CD1-CG 4.37Å; L224-W227 HydrophobicContact CD1-CH2 4.41Å; L224-W227 HydrophobicContact CD1-CZ2 4.37Å; L224-W227 HydrophobicContact CD1-CZ3 4.16Å; L224-W227 HydrophobicContact CG-CD2 4.41Å; L224-W227 WeakPolarHBondContact O-CB 3.48Å; L224-W227 PolarHBondContact O-N 2.91Å; W227-P231 HydrophobicContact CE3-CB 3.73Å; W227-P231 HydrophobicContact CZ3-CB 4.05Å; W227-W232 HydrophobicContact CB-CB 4.08Å; W227-K235 HydrophobicContact CZ3-CB 4Å; W227-K235 HydrophobicContact CZ3-CG 4.23Å; W227-I254 HydrophobicContact CH2-CD1 4.17Å; W227-I254 HydrophobicContact CH2-CG1 4.42Å; W227-I254 HydrophobicContact CZ2-CD1 3.62Å; W227-I254 HydrophobicContact CZ2-CG1 4.33Å
228	Q	83.7	Confident	91.2	Very high	141 Å²	141	57.8 Å²	57.8	66%	0.659	30%	0.296	S	S	*	.			trans	-71.4	154.2	173.1	-64.5	-60.1	-37.3	0	0	110.7	V230 P231 W232	Q228-V230 PolarHBondContact O-N 2.86Å; Q228-P231 HydrophobicContact CB-CG 4.42Å; Q228-P231 WeakPolarHBondContact O-CD 3.37Å; Q228-W232 WeakPolarHBondContact O-CB 3.41Å; Q228-W232 PolarHBondContact O-N 2.92Å
229	P	81.8	Confident	91.2	Very high	45 Å²	45	58.2 Å²	58.2	29%	0.292	30%	0.298	S	S	.	.	H	α-helix	trans	-56.3	-40.4	-169.6	-29.2	36.5	0	0	0	115.6	L187 H233	L187-P229 HydrophobicContact CD1-CG 3.76Å; L187-P229 HydrophobicContact CD2-CB 3.84Å; L187-P229 HydrophobicContact CD2-CG 3.69Å; L187-P229 HydrophobicContact CG-CG 4.29Å; P229-H233 VanDerWaalsContact O-CB 3.3Å; P229-H233 WeakPolarHBondContact O-CB 3.46Å; P229-H233 PolarHBondContact O-N 2.76Å
230	V	85.8	Confident	91.2	Very high	103 Å²	103	62.1 Å²	62.1	62%	0.624	31%	0.312	S	S	*	.	H	α-helix	trans	-71.3	-53.9	-177.1	173.2	0	0	0	0	111.8	Q228 W232 H233 N234	Q228-V230 PolarHBondContact O-N 2.86Å; V230-W232 VanDerWaalsContact C-N 3.25Å; V230-W232 PolarHBondContact O-N 3.31Å; V230-H233 PolarHBondContact O-N 2.91Å; V230-N234 PolarHBondContact O-N 3.29Å; V230-N234 VanDerWaalsContact O-N 3.13Å
231	P	89.9	Confident	91.1	Very high	63 Å²	63	64.7 Å²	64.7	41%	0.409	33%	0.328	S	S	.	.	H	α-helix	trans	-56.9	-38.9	171.6	-26.4	33.3	0	0	0	113.3	W227 Q228 K235	W227-P231 HydrophobicContact CE3-CB 3.73Å; W227-P231 HydrophobicContact CZ3-CB 4.05Å; Q228-P231 HydrophobicContact CB-CG 4.42Å; Q228-P231 WeakPolarHBondContact O-CD 3.37Å; P231-K235 WeakPolarHBondContact O-CB 3.28Å; P231-K235 PolarHBondContact O-N 3.2Å; P231-K235 VanDerWaalsContact O-N 3.12Å
232	W	90.8	Very high	91.1	Very high	29 Å²	29	66.1 Å²	66.1	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-52.2	177.2	176.9	95	0	0	0	111.2	I195 W207 F223 W227 Q228 V230 N234 K235 V236	I195-W232 HydrophobicContact CD1-CE3 4.24Å; I195-W232 HydrophobicContact CD1-CH2 4.39Å; I195-W232 HydrophobicContact CD1-CZ3 3.62Å; W207-W232 HydrophobicContact CZ2-CH2 4.16Å; W207-W232 HydrophobicContact CZ2-CZ2 4.31Å; F223-W232 HydrophobicContact CB-CZ2 3.98Å; F223-W232 HydrophobicContact CD2-CZ2 4.45Å; F223-W232 PolarHBondContact O-NE1 3.29Å; W227-W232 HydrophobicContact CB-CB 4.08Å; Q228-W232 WeakPolarHBondContact O-CB 3.41Å; Q228-W232 PolarHBondContact O-N 2.92Å; V230-W232 VanDerWaalsContact C-N 3.25Å; V230-W232 PolarHBondContact O-N 3.31Å; W232-N234 PolarHBondContact O-N 2.96Å; W232-K235 PolarHBondContact O-N 2.99Å; W232-V236 HydrophobicContact CD2-CG2 4.11Å; W232-V236 HydrophobicContact CG-CG2 4.19Å; W232-V236 HydrophobicContact CZ2-CB 4.39Å; W232-V236 HydrophobicContact CZ2-CG1 4.19Å; W232-V236 HydrophobicContact CZ2-CG2 4.27Å; W232-V236 WeakPolarHBondContact O-CB 3.37Å; W232-V236 VanDerWaalsContact O-CG2 3.26Å; W232-V236 WeakPolarHBondContact O-CG2 3.49Å; W232-V236 PolarHBondContact O-N 3.29Å
233	H	90.5	Very high	91.1	Very high	25 Å²	25	66.7 Å²	66.7	12%	0.116	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-49.1	-178	178.9	-82.5	0	0	0	111	E196 P229 V230 K235 V236 R237 W284	E196-H233 WeakPolarHBondContact CG-NE2 3.34Å; E196-H233 IonicContact OE1-CD2 2.73Å; E196-H233 IonicContact OE1-CE1 3.86Å; E196-H233 PolarHBondContact OE1-CE1 3.48Å; E196-H233 IonicContact OE1-NE2 2.87Å; E196-H233 PolarHBondContact OE1-NE2 2.99Å; P229-H233 VanDerWaalsContact O-CB 3.3Å; P229-H233 WeakPolarHBondContact O-CB 3.46Å; P229-H233 PolarHBondContact O-N 2.76Å; V230-H233 PolarHBondContact O-N 2.91Å; H233-K235 VanDerWaalsContact C-N 3.26Å; H233-K235 PolarHBondContact O-N 3.37Å; H233-V236 PolarHBondContact O-N 2.84Å; H233-R237 WeakPolarHBondContact O-CB 3.19Å; H233-R237 PolarHBondContact O-N 3.23Å; H233-W284 AromaticContact CD2-CH2 3.72Å; H233-W284 AromaticContact NE2-CH2 3.81Å; H233-W284 AromaticContact NE2-CZ2 3.59Å
234	N	92.6	Very high	91.2	Very high	101 Å²	101	66.2 Å²	66.2	54%	0.54	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-36.6	179.5	-71.9	-18.1	0	0	0	112.7	V230 W232	V230-N234 PolarHBondContact O-N 3.29Å; V230-N234 VanDerWaalsContact O-N 3.13Å; W232-N234 PolarHBondContact O-N 2.96Å
235	K	94.8	Very high	91.5	Very high	69 Å²	69	66.1 Å²	66.1	30%	0.3	34%	0.339	S	S	.	.	H	α-helix	trans	-83.3	-45.1	-177.8	-165.6	66.6	177.2	-178.7	0	112.6	L224 W227 P231 W232 H233 R237 L238 I254 F256	L224-K235 HydrophobicContact CD1-CB 4.11Å; L224-K235 HydrophobicContact CD1-CG 3.88Å; W227-K235 HydrophobicContact CZ3-CB 4Å; W227-K235 HydrophobicContact CZ3-CG 4.23Å; P231-K235 WeakPolarHBondContact O-CB 3.28Å; P231-K235 PolarHBondContact O-N 3.2Å; P231-K235 VanDerWaalsContact O-N 3.12Å; W232-K235 PolarHBondContact O-N 2.99Å; H233-K235 VanDerWaalsContact C-N 3.26Å; H233-K235 PolarHBondContact O-N 3.37Å; K235-R237 VanDerWaalsContact C-N 3.32Å; K235-R237 PolarHBondContact O-N 3.12Å; K235-L238 HydrophobicContact CD-CD1 4.5Å; K235-L238 WeakPolarHBondContact O-CB 3.43Å; K235-L238 PolarHBondContact O-N 3.17Å; K235-I254 HydrophobicContact CD-CG2 4.48Å; K235-I254 HydrophobicContact CG-CG2 4.16Å; K235-F256 HydrophobicContact CG-CZ 4.48Å
236	V	94.2	Very high	92	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-72.4	-28.1	-176.2	-180	0	0	0	0	111.4	F223 L224 W232 H233 L238 K239 W284	F223-V236 HydrophobicContact CB-CG1 4.05Å; F223-V236 HydrophobicContact CB-CG2 3.89Å; F223-V236 HydrophobicContact CD1-CG1 4Å; F223-V236 HydrophobicContact CD2-CG1 4.37Å; F223-V236 HydrophobicContact CG-CG1 3.88Å; L224-V236 HydrophobicContact CD1-CG2 4.33Å; W232-V236 HydrophobicContact CD2-CG2 4.11Å; W232-V236 HydrophobicContact CG-CG2 4.19Å; W232-V236 HydrophobicContact CZ2-CB 4.39Å; W232-V236 HydrophobicContact CZ2-CG1 4.19Å; W232-V236 HydrophobicContact CZ2-CG2 4.27Å; W232-V236 WeakPolarHBondContact O-CB 3.37Å; W232-V236 VanDerWaalsContact O-CG2 3.26Å; W232-V236 WeakPolarHBondContact O-CG2 3.49Å; W232-V236 PolarHBondContact O-N 3.29Å; H233-V236 PolarHBondContact O-N 2.84Å; V236-L238 PolarHBondContact O-N 3.18Å; V236-L238 VanDerWaalsContact O-N 3.08Å; V236-K239 HydrophobicContact CG1-CD 4.31Å; V236-K239 VanDerWaalsContact O-CB 3.25Å; V236-K239 WeakPolarHBondContact O-CB 3.39Å; V236-K239 VanDerWaalsContact O-CG 3.23Å; V236-K239 WeakPolarHBondContact O-CG 3.34Å; V236-K239 PolarHBondContact O-N 3.43Å; V236-W284 HydrophobicContact CB-CZ3 4.2Å; V236-W284 HydrophobicContact CG1-CE3 4.31Å; V236-W284 HydrophobicContact CG1-CZ3 3.87Å
237	R	95.1	Very high	92.5	Very high	154 Å²	154	61.1 Å²	61.1	58%	0.581	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.5	172.4	-176.7	174.9	177.4	-169.9	1.2	113.6	H233 K235 K239 W284	H233-R237 WeakPolarHBondContact O-CB 3.19Å; H233-R237 PolarHBondContact O-N 3.23Å; K235-R237 VanDerWaalsContact C-N 3.32Å; K235-R237 PolarHBondContact O-N 3.12Å; R237-K239 VanDerWaalsContact C-N 3.25Å; R237-K239 PolarHBondContact O-N 3.5Å; R237-W284 HydrophobicContact CB-CH2 3.79Å; R237-W284 HydrophobicContact CB-CZ2 3.72Å; R237-W284 HydrophobicContact CB-CZ3 4.36Å; R237-W284 HydrophobicContact CG-CH2 4.42Å; R237-W284 HydrophobicContact CG-CZ2 3.84Å
238	L	96.3	Very high	92.8	Very high	116 Å²	116	60.8 Å²	60.8	61%	0.607	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.9	177.9	-56	175.7	0	0	0	113.6	K235 V236 F256	K235-L238 HydrophobicContact CD-CD1 4.5Å; K235-L238 WeakPolarHBondContact O-CB 3.43Å; K235-L238 PolarHBondContact O-N 3.17Å; V236-L238 PolarHBondContact O-N 3.18Å; V236-L238 VanDerWaalsContact O-N 3.08Å; L238-F256 HydrophobicContact CB-CE1 4.44Å; L238-F256 HydrophobicContact CB-CZ 4.29Å
239	K	96.4	Very high	93.2	Very high	14 Å²	14	54 Å²	54	6%	0.061	27%	0.274	C	S	.	.			trans	-61.2	146	178.6	75.2	178	-66.5	-64.7	0	110.9	F223 V236 R237 D241 D243 F256 L282 W284	F223-K239 HydrophobicContact CE1-CD 4.4Å; F223-K239 HydrophobicContact CZ-CD 4.42Å; V236-K239 HydrophobicContact CG1-CD 4.31Å; V236-K239 VanDerWaalsContact O-CB 3.25Å; V236-K239 WeakPolarHBondContact O-CB 3.39Å; V236-K239 VanDerWaalsContact O-CG 3.23Å; V236-K239 WeakPolarHBondContact O-CG 3.34Å; V236-K239 PolarHBondContact O-N 3.43Å; R237-K239 VanDerWaalsContact C-N 3.25Å; R237-K239 PolarHBondContact O-N 3.5Å; K239-D241 PolarHBondContact NZ-O 3.36Å; K239-D243 HydrophobicContact CB-CB 4.08Å; K239-D243 WeakPolarHBondContact CE-O 3.36Å; K239-D243 PolarHBondContact NZ-O 2.91Å; K239-F256 HydrophobicContact CB-CD1 4.05Å; K239-F256 HydrophobicContact CB-CE1 4.18Å; K239-L282 PolarHBondContact NZ-O 2.83Å; K239-W284 HydrophobicContact CD-CB 4.45Å; K239-W284 HydrophobicContact CD-CE3 4.42Å
240	N	95.3	Very high	93.5	Very high	111 Å²	111	52.7 Å²	52.7	59%	0.594	26%	0.264	S	S	*	.			trans	-72.4	162.1	164.1	-55.4	-66.8	0	0	0	109.8	N242 D243	N240-N242 PolarHBondContact O-N 2.84Å; N240-D243 WeakPolarHBondContact CB-OD2 3.39Å; N240-D243 PolarHBondContact N-OD2 3.22Å; N240-D243 PolarHBondContact ND2-OD2 2.81Å; N240-D243 PolarHBondContact O-N 3.24Å; N240-D243 VanDerWaalsContact O-N 3.1Å
241	D	90.6	Very high	93.5	Very high	93 Å²	93	51.1 Å²	51.1	50%	0.497	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.5	-179	-76	-21.3	0	0	0	112.6	K239 D243	K239-D241 PolarHBondContact NZ-O 3.36Å; D241-D243 PolarHBondContact O-N 3.31Å
242	N	94.5	Very high	93.4	Very high	83 Å²	83	49.9 Å²	49.9	44%	0.444	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-4.5	-178.4	-61.8	-19.5	0	0	0	114.2	N240 I244 K258 Q279	N240-N242 PolarHBondContact O-N 2.84Å; N242-I244 PolarHBondContact O-N 3.07Å; N242-K258 HydrophobicContact CB-CB 4.24Å; N242-K258 WeakPolarHBondContact O-CA 3.43Å; N242-K258 WeakPolarHBondContact O-CB 3.29Å; N242-Q279 HydrophobicContact CB-CG 4.31Å; N242-Q279 WeakPolarHBondContact O-CG 3.35Å
243	D	97.8	Very high	93.5	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.07	27%	0.274	C	S	.	.			trans	-71.1	127.2	177.1	-69.9	-34.8	0	0	0	109.7	K239 N240 D241 S257 K258	K239-D243 HydrophobicContact CB-CB 4.08Å; K239-D243 WeakPolarHBondContact CE-O 3.36Å; K239-D243 PolarHBondContact NZ-O 2.91Å; N240-D243 WeakPolarHBondContact CB-OD2 3.39Å; N240-D243 PolarHBondContact N-OD2 3.22Å; N240-D243 PolarHBondContact ND2-OD2 2.81Å; N240-D243 PolarHBondContact O-N 3.24Å; N240-D243 VanDerWaalsContact O-N 3.1Å; D241-D243 PolarHBondContact O-N 3.31Å; D243-S257 WeakPolarHBondContact CA-O 3.42Å; D243-K258 PolarHBondContact OD1-N 3.31Å
244	I	98.1	Very high	93.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.			trans	-109.6	-10.6	178.7	63.4	170.9	0	0	0	112.5	F214 P222 N242 S257 K258 L260 E275 L278 Q279 L282	F214-I244 HydrophobicContact CE2-CD1 4.39Å; F214-I244 HydrophobicContact CE2-CG1 4.35Å; P222-I244 WeakPolarHBondContact CB-O 3.42Å; N242-I244 PolarHBondContact O-N 3.07Å; I244-S257 PolarHBondContact N-O 2.64Å; I244-K258 WeakPolarHBondContact CD1-O 3.26Å; I244-K258 WeakPolarHBondContact CG1-O 3.36Å; I244-L260 HydrophobicContact CD1-CD2 3.99Å; I244-L260 HydrophobicContact CD1-CG 3.92Å; I244-E275 HydrophobicContact CD1-CG 3.96Å; I244-L278 HydrophobicContact CB-CB 4.43Å; I244-L278 HydrophobicContact CD1-CB 4.38Å; I244-L278 HydrophobicContact CD1-CD1 4.22Å; I244-L278 HydrophobicContact CG2-CB 3.95Å; I244-Q279 HydrophobicContact CG2-CB 4.24Å; I244-Q279 HydrophobicContact CG2-CG 3.53Å; I244-L282 HydrophobicContact CB-CD1 4.08Å; I244-L282 HydrophobicContact CG2-CD1 4.47Å
245	V	97.5	Very high	93.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.8	178.3	66	0	0	0	0	111.1	F214 F220 P222 Y247 S257 P261	F214-V245 HydrophobicContact CE1-CG2 4.36Å; F214-V245 HydrophobicContact CE2-CB 3.83Å; F214-V245 HydrophobicContact CE2-CG2 4.26Å; F214-V245 HydrophobicContact CZ-CB 3.66Å; F214-V245 HydrophobicContact CZ-CG2 3.56Å; F220-V245 HydrophobicContact CE2-CG2 4.13Å; P222-V245 CarbonylContact O-C 3.58Å; P222-V245 VanDerWaalsContact O-CA 3.29Å; P222-V245 WeakPolarHBondContact O-CA 3.42Å; P222-V245 VanDerWaalsContact O-CG2 3.25Å; P222-V245 WeakPolarHBondContact O-CG2 3.26Å; V245-Y247 HydrophobicContact CG1-CD1 4.36Å; V245-Y247 HydrophobicContact CG2-CD1 4Å; V245-S257 PolarHBondContact N-O 3.02Å; V245-S257 VanDerWaalsContact N-O 3.15Å; V245-S257 PolarHBondContact O-N 2.97Å; V245-P261 HydrophobicContact CB-CG 4.3Å; V245-P261 HydrophobicContact CG1-CG 4.04Å; V245-P261 HydrophobicContact CG2-CG 4.08Å
246	V	97.1	Very high	94	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114.9	168.5	-174.9	0	0	0	0	108	P222 F223 L224 I254 R255 F256	P222-V246 PolarHBondContact O-N 2.97Å; F223-V246 HydrophobicContact CD1-CB 4.05Å; F223-V246 HydrophobicContact CD1-CG2 3.79Å; F223-V246 HydrophobicContact CE1-CG2 4.19Å; L224-V246 HydrophobicContact CD1-CG1 4.01Å; L224-V246 HydrophobicContact CD2-CG1 4.37Å; L224-V246 HydrophobicContact CG-CB 4.45Å; L224-V246 HydrophobicContact CG-CG1 3.97Å; L224-V246 PolarHBondContact N-O 3.2Å; V246-I254 HydrophobicContact CG1-CG2 3.7Å; V246-R255 VanDerWaalsContact CA-O 3.27Å; V246-R255 WeakPolarHBondContact CA-O 3.35Å; V246-F256 HydrophobicContact CB-CD1 4.35Å; V246-F256 HydrophobicContact CB-CE1 4.42Å; V246-F256 HydrophobicContact CG1-CD1 4.09Å; V246-F256 HydrophobicContact CG1-CE1 3.86Å; V246-F256 HydrophobicContact CG1-CE2 4.38Å; V246-F256 HydrophobicContact CG1-CG 4.43Å; V246-F256 HydrophobicContact CG1-CZ 4.01Å; V246-F256 HydrophobicContact CG2-CD1 3.35Å; V246-F256 HydrophobicContact CG2-CE1 3.6Å; V246-F256 HydrophobicContact CG2-CG 4.13Å
247	Y	93.5	Very high	94.1	Very high	41 Å²	41	54.2 Å²	54.2	16%	0.161	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.4	-174.5	72.4	-86.8	0	0	0	112.3	V245 R255 E409	V245-Y247 HydrophobicContact CG1-CD1 4.36Å; V245-Y247 HydrophobicContact CG2-CD1 4Å; Y247-R255 HydrophobicContact CD1-CB 4.47Å; Y247-R255 HydrophobicContact CE1-CB 4.06Å; Y247-R255 PolarHBondContact N-O 3.16Å; Y247-R255 PolarHBondContact O-N 2.9Å; Y247-E409 PolarHBondContact OH-OE2 3.23Å
248	E	92.5	Very high	94.2	Very high	75 Å²	75	52.2 Å²	52.2	35%	0.35	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.4	172.1	-171.9	177.1	-167.7	0	0	109.2	D253 I254	E248-D253 WeakPolarHBondContact CA-O 3.49Å; E248-I254 HydrophobicContact CB-CD1 3.85Å; E248-I254 HydrophobicContact CG-CD1 4.01Å
249	S	91.6	Very high	94.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.			trans	-71	169	174.4	66.4	0	0	0	0	111	S251 G252 D253	S249-S251 PolarHBondContact O-N 2.89Å; S249-S251 PolarHBondContact OG-N 2.73Å; S249-S251 PolarHBondContact OG-OG 3.04Å; S249-G252 PolarHBondContact O-N 2.86Å; S249-G252 PolarHBondContact OG-N 2.7Å; S249-D253 PolarHBondContact N-O 3.43Å; S249-D253 WeakPolarHBondContact OG-CB 3.45Å; S249-D253 PolarHBondContact OG-N 3.19Å; S249-D253 PolarHBondContact OG-O 3.1Å
250	L	88.6	Confident	94.2	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.084	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19	172.4	-60.6	-173.4	0	0	0	113.2	G252 N410 F413 L422 Q426	L250-G252 VanDerWaalsContact C-N 3.28Å; L250-N410 HydrophobicContact CD1-CB 3.82Å; L250-N410 HydrophobicContact CG-CB 4.41Å; L250-F413 HydrophobicContact CB-CD1 4.11Å; L250-F413 HydrophobicContact CB-CD2 4.18Å; L250-F413 HydrophobicContact CB-CE1 4.25Å; L250-F413 HydrophobicContact CB-CE2 4.32Å; L250-F413 HydrophobicContact CB-CG 4.07Å; L250-F413 HydrophobicContact CB-CZ 4.36Å; L250-F413 HydrophobicContact CD1-CB 3.84Å; L250-F413 HydrophobicContact CD1-CD1 3.62Å; L250-F413 HydrophobicContact CD1-CE1 4.37Å; L250-F413 HydrophobicContact CD1-CG 3.81Å; L250-L422 HydrophobicContact CD1-CD2 4.43Å; L250-L422 HydrophobicContact CD2-CD2 4.25Å; L250-Q426 HydrophobicContact CD2-CB 3.73Å; L250-Q426 HydrophobicContact CD2-CG 3.86Å
251	S	86.3	Confident	94.1	Very high	70 Å²	70	46.1 Å²	46.1	49%	0.49	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.2	170.8	52.5	0	0	0	0	113.9	S249 D253	S249-S251 PolarHBondContact O-N 2.89Å; S249-S251 PolarHBondContact OG-N 2.73Å; S249-S251 PolarHBondContact OG-OG 3.04Å; S251-D253 WeakPolarHBondContact CB-OD2 3.38Å; S251-D253 PolarHBondContact OG-OD2 3.26Å
252	G	87.1	Confident	94.1	Very high	37 Å²	37	46.8 Å²	46.8	38%	0.381	24%	0.244	S	C	.	.	S	Bend	trans	86.5	3.4	-176	0	0	0	0	0	114.5	S249 L250	S249-G252 PolarHBondContact O-N 2.86Å; S249-G252 PolarHBondContact OG-N 2.7Å; L250-G252 VanDerWaalsContact C-N 3.28Å
253	D	92.7	Very high	94	Very high	88 Å²	88	43.5 Å²	43.5	47%	0.471	23%	0.226	S	C	.	.			trans	-79.4	136.6	179.1	-57.1	-55.7	0	0	0	111.1	E248 S249 S251	E248-D253 WeakPolarHBondContact CA-O 3.49Å; S249-D253 PolarHBondContact N-O 3.43Å; S249-D253 WeakPolarHBondContact OG-CB 3.45Å; S249-D253 PolarHBondContact OG-N 3.19Å; S249-D253 PolarHBondContact OG-O 3.1Å; S251-D253 WeakPolarHBondContact CB-OD2 3.38Å; S251-D253 PolarHBondContact OG-OD2 3.26Å
254	I	95.5	Very high	93.8	Very high	41 Å²	41	43.4 Å²	43.4	21%	0.21	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.7	173.5	-53.5	-61	0	0	0	109.6	L224 W227 K235 V246 E248 F256	L224-I254 HydrophobicContact CD1-CG2 4.47Å; L224-I254 HydrophobicContact CD2-CD1 3.94Å; L224-I254 HydrophobicContact CD2-CG2 4.49Å; W227-I254 HydrophobicContact CH2-CD1 4.17Å; W227-I254 HydrophobicContact CH2-CG1 4.42Å; W227-I254 HydrophobicContact CZ2-CD1 3.62Å; W227-I254 HydrophobicContact CZ2-CG1 4.33Å; K235-I254 HydrophobicContact CD-CG2 4.48Å; K235-I254 HydrophobicContact CG-CG2 4.16Å; V246-I254 HydrophobicContact CG1-CG2 3.7Å; E248-I254 HydrophobicContact CB-CD1 3.85Å; E248-I254 HydrophobicContact CG-CD1 4.01Å; I254-F256 HydrophobicContact CG2-CE2 4.08Å; I254-F256 HydrophobicContact CG2-CZ 4.49Å
255	R	95.8	Very high	93.5	Very high	91 Å²	91	44.8 Å²	44.8	34%	0.343	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.3	-179.3	-62.1	-164.7	-178.1	164.2	12.6	111.7	V246 Y247 E409	V246-R255 VanDerWaalsContact CA-O 3.27Å; V246-R255 WeakPolarHBondContact CA-O 3.35Å; Y247-R255 HydrophobicContact CD1-CB 4.47Å; Y247-R255 HydrophobicContact CE1-CB 4.06Å; Y247-R255 PolarHBondContact N-O 3.16Å; Y247-R255 PolarHBondContact O-N 2.9Å; R255-E409 IonicContact CZ-OE1 3.58Å; R255-E409 IonicContact CZ-OE2 2.76Å; R255-E409 IonicContact NH1-OE1 3.86Å; R255-E409 PolarHBondContact NH1-OE1 3.39Å; R255-E409 IonicContact NH1-OE2 3.8Å; R255-E409 PolarHBondContact NH1-OE2 3.21Å; R255-E409 IonicContact NH2-OE1 2.87Å; R255-E409 PolarHBondContact NH2-OE1 3.44Å
256	F	97.6	Very high	93.3	Very high	65 Å²	65	45.6 Å²	45.6	29%	0.285	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.1	172.6	-61.8	-104.4	0	0	0	107.6	K235 L238 K239 V246 I254	K235-F256 HydrophobicContact CG-CZ 4.48Å; L238-F256 HydrophobicContact CB-CE1 4.44Å; L238-F256 HydrophobicContact CB-CZ 4.29Å; K239-F256 HydrophobicContact CB-CD1 4.05Å; K239-F256 HydrophobicContact CB-CE1 4.18Å; V246-F256 HydrophobicContact CB-CD1 4.35Å; V246-F256 HydrophobicContact CB-CE1 4.42Å; V246-F256 HydrophobicContact CG1-CD1 4.09Å; V246-F256 HydrophobicContact CG1-CE1 3.86Å; V246-F256 HydrophobicContact CG1-CE2 4.38Å; V246-F256 HydrophobicContact CG1-CG 4.43Å; V246-F256 HydrophobicContact CG1-CZ 4.01Å; V246-F256 HydrophobicContact CG2-CD1 3.35Å; V246-F256 HydrophobicContact CG2-CE1 3.6Å; V246-F256 HydrophobicContact CG2-CG 4.13Å; I254-F256 HydrophobicContact CG2-CE2 4.08Å; I254-F256 HydrophobicContact CG2-CZ 4.49Å
257	S	97.2	Very high	93	Very high	30 Å²	30	46.3 Å²	46.3	21%	0.21	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	138.9	177.9	172	0	0	0	0	111.1	D243 I244 V245 N259	D243-S257 WeakPolarHBondContact CA-O 3.42Å; I244-S257 PolarHBondContact N-O 2.64Å; V245-S257 PolarHBondContact N-O 3.02Å; V245-S257 VanDerWaalsContact N-O 3.15Å; V245-S257 PolarHBondContact O-N 2.97Å; S257-N259 VanDerWaalsContact C-N 3.34Å; S257-N259 PolarHBondContact OG-N 3.33Å; S257-N259 PolarHBondContact OG-O 3.35Å
258	K	96.8	Very high	92.8	Very high	113 Å²	113	48.3 Å²	48.3	49%	0.491	26%	0.262	S	S	.	.	S	Bend	trans	-81.2	-15.4	168.2	68.9	-177.2	-177.7	175.5	0	113.6	N242 D243 I244 E275 Q279	N242-K258 HydrophobicContact CB-CB 4.24Å; N242-K258 WeakPolarHBondContact O-CA 3.43Å; N242-K258 WeakPolarHBondContact O-CB 3.29Å; D243-K258 PolarHBondContact OD1-N 3.31Å; I244-K258 WeakPolarHBondContact CD1-O 3.26Å; I244-K258 WeakPolarHBondContact CG1-O 3.36Å; K258-E275 VanDerWaalsContact O-CD 3.27Å; K258-E275 WeakPolarHBondContact O-CG 3.45Å; K258-Q279 PolarHBondContact O-NE2 3.01Å
259	N	96.3	Very high	92.8	Very high	81 Å²	81	46.2 Å²	46.2	43%	0.433	25%	0.252	S	S	.	.	S	Bend	trans	-91.5	144.5	-174.6	-55.8	-22.6	0	0	0	112.5	S257 P261 E275	S257-N259 VanDerWaalsContact C-N 3.34Å; S257-N259 PolarHBondContact OG-N 3.33Å; S257-N259 PolarHBondContact OG-O 3.35Å; N259-P261 WeakPolarHBondContact O-CD 3.06Å; N259-E275 VanDerWaalsContact CA-CD 3.44Å; N259-E275 VanDerWaalsContact CA-OE2 3.22Å; N259-E275 WeakPolarHBondContact CA-OE2 3.42Å; N259-E275 PolarHBondContact OD1-OE1 3.19Å
260	L	95.8	Very high	92.9	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-62.8	127.8	172	-90.2	173.9	0	0	0	111.2	F214 I217 T218 I244 L266 S271 E275 L278	F214-L260 HydrophobicContact CD2-CD2 4.22Å; F214-L260 HydrophobicContact CE2-CD2 4.21Å; I217-L260 HydrophobicContact CG2-CD1 4.37Å; I217-L260 HydrophobicContact CG2-CD2 4.04Å; T218-L260 HydrophobicContact CG2-CD2 4.29Å; I244-L260 HydrophobicContact CD1-CD2 3.99Å; I244-L260 HydrophobicContact CD1-CG 3.92Å; L260-L266 HydrophobicContact CD1-CD1 4.24Å; L260-S271 WeakPolarHBondContact CD1-O 3.35Å; L260-E275 HydrophobicContact CD1-CB 4.24Å; L260-E275 HydrophobicContact CG-CB 4.23Å; L260-E275 PolarHBondContact N-OE2 3.42Å; L260-L278 HydrophobicContact CD2-CD1 3.69Å; L260-L278 HydrophobicContact CG-CD1 4.3Å
261	P	93.5	Very high	93.2	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.123	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-63.8	145.4	178.3	-25.8	35.5	0	0	0	113.7	F214 T218 F220 V245 N259 N264	F214-P261 HydrophobicContact CE2-CG 4.35Å; F214-P261 HydrophobicContact CZ-CG 3.81Å; T218-P261 HydrophobicContact CG2-CB 4.48Å; T218-P261 HydrophobicContact CG2-CG 4.38Å; F220-P261 HydrophobicContact CE1-CB 4.35Å; F220-P261 HydrophobicContact CZ-CB 3.94Å; F220-P261 HydrophobicContact CZ-CG 3.84Å; V245-P261 HydrophobicContact CB-CG 4.3Å; V245-P261 HydrophobicContact CG1-CG 4.04Å; V245-P261 HydrophobicContact CG2-CG 4.08Å; N259-P261 WeakPolarHBondContact O-CD 3.06Å; P261-N264 PolarHBondContact O-ND2 2.79Å
262	Q	91	Very high	93.6	Very high	108 Å²	108	47.4 Å²	47.4	51%	0.505	25%	0.252	S	S	.	.	S	Bend	trans	-101.3	147.6	168.4	-67.3	-65.3	-21.2	0	0	110.8	N264	Q262-N264 PolarHBondContact NE2-ND2 2.84Å; Q262-N264 VanDerWaalsContact NE2-ND2 3.14Å
263	P	92.3	Very high	94	Very high	13 Å²	13	51 Å²	51	8%	0.084	25%	0.254	C	S	.	.	S	Bend	cis	-80.7	149	-0.5	33.2	-30.9	0	0	0	112.5	C116 P408 Q433 H436	C116-P263 HydrophobicContact CB-CG 4.07Å; P263-P408 HydrophobicContact CB-CG 4.45Å; P263-P408 HydrophobicContact CG-CG 4.21Å; P263-Q433 HydrophobicContact CG-CB 4.39Å; P263-Q433 HydrophobicContact CG-CG 4.01Å; P263-H436 WeakPolarHBondContact CB-ND1 3.26Å
264	N	92.9	Very high	94.1	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.064	23%	0.231	C	C	.	.			trans	-140.5	170.1	163.4	65	68.7	0	0	0	109.5	I217 P261 Q262 L266	I217-N264 HydrophobicContact CG2-CB 3.95Å; I217-N264 WeakPolarHBondContact O-CB 3.21Å; P261-N264 PolarHBondContact O-ND2 2.79Å; Q262-N264 PolarHBondContact NE2-ND2 2.84Å; Q262-N264 VanDerWaalsContact NE2-ND2 3.14Å; N264-L266 WeakPolarHBondContact OD1-CB 3.3Å; N264-L266 PolarHBondContact OD1-N 3.13Å; N264-L266 VanDerWaalsContact OD1-N 3.1Å
265	N	92.6	Very high	94.2	Very high	28 Å²	28	46.3 Å²	46.3	15%	0.15	23%	0.228	C	C	.	.	S	Bend	trans	-101	13.5	-176.6	-50.1	-64	0	0	0	113.5	G117 M118 H436	G117-N265 PolarHBondContact O-ND2 3.38Å; M118-N265 WeakPolarHBondContact O-CB 3.42Å; M118-N265 PolarHBondContact O-ND2 2.91Å; N265-H436 PolarHBondContact OD1-NE2 2.78Å
266	L	92.8	Very high	94.2	Very high	17 Å²	17	46.5 Å²	46.5	9%	0.089	23%	0.232	C	C	.	.			trans	-83.9	146.3	176.5	-65.6	177.4	0	0	0	110.2	E120 I123 I217 L260 N264 L274	E120-L266 HydrophobicContact CB-CD2 4.33Å; E120-L266 HydrophobicContact CG-CD2 4.1Å; I123-L266 HydrophobicContact CD1-CD2 3.83Å; I123-L266 HydrophobicContact CD1-CG 4.3Å; I123-L266 HydrophobicContact CG2-CD2 4.46Å; I217-L266 HydrophobicContact CB-CD1 4.46Å; I217-L266 HydrophobicContact CD1-CD1 3.95Å; I217-L266 HydrophobicContact CG1-CD1 3.96Å; I217-L266 HydrophobicContact CG2-CD1 3.65Å; I217-L266 HydrophobicContact CG2-CG 4.18Å; L260-L266 HydrophobicContact CD1-CD1 4.24Å; N264-L266 WeakPolarHBondContact OD1-CB 3.3Å; N264-L266 PolarHBondContact OD1-N 3.13Å; N264-L266 VanDerWaalsContact OD1-N 3.1Å; L266-L274 HydrophobicContact CD1-CD1 3.64Å; L266-L274 HydrophobicContact CD2-CD1 4.18Å
267	N	90.8	Very high	94.1	Very high	16 Å²	16	43.4 Å²	43.4	9%	0.086	22%	0.218	C	C	.	.			trans	-71	161.7	169.2	85.1	55.8	0	0	0	112.2	E120 L269 L270 S271 I325 Y375	E120-N267 VanDerWaalsContact CD-ND2 3.32Å; E120-N267 PolarHBondContact OE1-ND2 2.86Å; E120-N267 VanDerWaalsContact OE2-CB 3.22Å; E120-N267 WeakPolarHBondContact OE2-CB 3.45Å; E120-N267 PolarHBondContact OE2-N 3.24Å; E120-N267 PolarHBondContact OE2-ND2 3.23Å; N267-L269 VanDerWaalsContact C-N 3.33Å; N267-L269 PolarHBondContact O-N 3.2Å; N267-L269 PolarHBondContact OD1-N 3.4Å; N267-L269 VanDerWaalsContact OD1-N 3.13Å; N267-L270 WeakPolarHBondContact ND2-CD1 3.35Å; N267-L270 WeakPolarHBondContact ND2-CG 3.43Å; N267-L270 PolarHBondContact O-N 3.18Å; N267-L270 PolarHBondContact OD1-N 3.34Å; N267-S271 VanDerWaalsContact O-CB 3.25Å; N267-S271 WeakPolarHBondContact O-CB 3.44Å; N267-S271 PolarHBondContact O-N 3.28Å; N267-I325 HydrophobicContact CB-CD1 3.31Å; N267-Y375 PolarHBondContact ND2-OH 3.2Å; N267-Y375 VanDerWaalsContact ND2-OH 3.14Å
268	S	89.8	Confident	94.1	Very high	83 Å²	83	42 Å²	42	58%	0.58	21%	0.208	S	C	*	.	H	α-helix	trans	-58.2	-42.6	-170.6	50.8	0	0	0	0	113.2	E272	S268-E272 PolarHBondContact O-N 3.12Å
269	L	92.1	Very high	94.1	Very high	30 Å²	30	38 Å²	38	16%	0.157	19%	0.191	C	C	.	.	H	α-helix	trans	-68.7	-47.6	-179.4	-179.2	64.8	0	0	0	111.4	N267 S271 E272 R273 L312 I325 A327	N267-L269 VanDerWaalsContact C-N 3.33Å; N267-L269 PolarHBondContact O-N 3.2Å; N267-L269 PolarHBondContact OD1-N 3.4Å; N267-L269 VanDerWaalsContact OD1-N 3.13Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 2.83Å; L269-E272 PolarHBondContact O-N 3.38Å; L269-R273 HydrophobicContact CD1-CG 4.39Å; L269-R273 WeakPolarHBondContact O-CB 3.23Å; L269-R273 WeakPolarHBondContact O-CG 3.39Å; L269-R273 PolarHBondContact O-N 3.13Å; L269-L312 HydrophobicContact CD2-CD1 4.21Å; L269-L312 HydrophobicContact CD2-CD2 3.54Å; L269-I325 HydrophobicContact CB-CG2 4.36Å; L269-A327 HydrophobicContact CD2-CB 4Å
270	L	93.2	Very high	94	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-38.2	176.9	-73.3	-177.8	0	0	0	111.8	E120 L124 N267 R273 L274 I307 L310 L312 Y375	E120-L270 VanDerWaalsContact CD-CD1 3.47Å; E120-L270 HydrophobicContact CG-CD1 3.68Å; L124-L270 HydrophobicContact CD1-CD1 3.89Å; L124-L270 HydrophobicContact CD2-CD1 4.22Å; L124-L270 HydrophobicContact CD2-CD2 4.44Å; L124-L270 HydrophobicContact CG-CD1 4.47Å; N267-L270 WeakPolarHBondContact ND2-CD1 3.35Å; N267-L270 WeakPolarHBondContact ND2-CG 3.43Å; N267-L270 PolarHBondContact O-N 3.18Å; N267-L270 PolarHBondContact OD1-N 3.34Å; L270-R273 PolarHBondContact O-N 2.95Å; L270-L274 VanDerWaalsContact O-CB 3.23Å; L270-L274 WeakPolarHBondContact O-CB 3.46Å; L270-L274 WeakPolarHBondContact O-CG 3.31Å; L270-L274 PolarHBondContact O-N 3.31Å; L270-I307 HydrophobicContact CD2-CG2 3.79Å; L270-L310 HydrophobicContact CD2-CD1 4.39Å; L270-L312 HydrophobicContact CG-CD1 4.3Å; L270-Y375 HydrophobicContact CD1-CE2 4.15Å
271	S	95	Very high	94.1	Very high	16 Å²	16	34 Å²	34	11%	0.112	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-49.9	174.2	-177.3	0	0	0	0	110.6	L260 N267 L269 R273 E275	L260-S271 WeakPolarHBondContact CD1-O 3.35Å; N267-S271 VanDerWaalsContact O-CB 3.25Å; N267-S271 WeakPolarHBondContact O-CB 3.44Å; N267-S271 PolarHBondContact O-N 3.28Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 2.83Å; S271-R273 PolarHBondContact O-N 3.34Å; S271-E275 WeakPolarHBondContact O-CB 3.46Å; S271-E275 PolarHBondContact O-N 3.31Å
272	E	94.8	Very high	94.2	Very high	96 Å²	96	33 Å²	33	45%	0.449	16%	0.164	S	C	.	.	H	α-helix	trans	-62.6	-43.1	178.4	-167.6	-161.3	149.1	0	0	112.5	S268 L269 K276	S268-E272 PolarHBondContact O-N 3.12Å; L269-E272 PolarHBondContact O-N 3.38Å; E272-K276 PolarHBondContact O-N 2.83Å; E272-K276 WeakPolarHBondContact OE1-CE 3.46Å; E272-K276 IonicContact OE1-NZ 3.46Å; E272-K276 PolarHBondContact OE1-NZ 3.04Å
273	R	94.9	Very high	94.4	Very high	111 Å²	111	28.6 Å²	28.6	42%	0.419	14%	0.142	S	C	.	.	H	α-helix	trans	-68.4	-46.5	-178.6	-66.7	-77.3	-177.3	172.9	2.3	111.9	L269 L270 S271 E275 K276 W277 I307	L269-R273 HydrophobicContact CD1-CG 4.39Å; L269-R273 WeakPolarHBondContact O-CB 3.23Å; L269-R273 WeakPolarHBondContact O-CG 3.39Å; L269-R273 PolarHBondContact O-N 3.13Å; L270-R273 PolarHBondContact O-N 2.95Å; S271-R273 PolarHBondContact O-N 3.34Å; R273-E275 VanDerWaalsContact C-N 3.32Å; R273-E275 PolarHBondContact O-N 3.42Å; R273-K276 PolarHBondContact O-N 3.27Å; R273-W277 PolarHBondContact O-N 3.37Å; R273-I307 HydrophobicContact CB-CD1 3.86Å; R273-I307 HydrophobicContact CB-CG1 3.92Å
274	L	96.7	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.8	-28.5	179.3	-71.7	173.2	0	0	0	112.2	L127 I217 L266 L270 W277 L278 L304 I307	L127-L274 HydrophobicContact CD1-CD1 4.16Å; L127-L274 HydrophobicContact CD1-CD2 3.67Å; I217-L274 HydrophobicContact CD1-CB 4.5Å; I217-L274 HydrophobicContact CD1-CD1 4.24Å; L266-L274 HydrophobicContact CD1-CD1 3.64Å; L266-L274 HydrophobicContact CD2-CD1 4.18Å; L270-L274 VanDerWaalsContact O-CB 3.23Å; L270-L274 WeakPolarHBondContact O-CB 3.46Å; L270-L274 WeakPolarHBondContact O-CG 3.31Å; L270-L274 PolarHBondContact O-N 3.31Å; L274-W277 HydrophobicContact CD2-CE3 4.44Å; L274-W277 PolarHBondContact O-N 3.37Å; L274-L278 VanDerWaalsContact O-CB 3.31Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 WeakPolarHBondContact O-CG 3.49Å; L274-L278 PolarHBondContact O-N 3.27Å; L274-L304 HydrophobicContact CD2-CD1 4.38Å; L274-I307 HydrophobicContact CD2-CD1 4.18Å; L274-I307 HydrophobicContact CD2-CG2 4.38Å
275	E	96.7	Very high	94.6	Very high	31 Å²	31	31.2 Å²	31.2	15%	0.145	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-51.8	170.4	-178.9	176.8	131.8	0	0	111.3	I244 K258 N259 L260 S271 R273 W277 L278 Q279	I244-E275 HydrophobicContact CD1-CG 3.96Å; K258-E275 VanDerWaalsContact O-CD 3.27Å; K258-E275 WeakPolarHBondContact O-CG 3.45Å; N259-E275 VanDerWaalsContact CA-CD 3.44Å; N259-E275 VanDerWaalsContact CA-OE2 3.22Å; N259-E275 WeakPolarHBondContact CA-OE2 3.42Å; N259-E275 PolarHBondContact OD1-OE1 3.19Å; L260-E275 HydrophobicContact CD1-CB 4.24Å; L260-E275 HydrophobicContact CG-CB 4.23Å; L260-E275 PolarHBondContact N-OE2 3.42Å; S271-E275 WeakPolarHBondContact O-CB 3.46Å; S271-E275 PolarHBondContact O-N 3.31Å; R273-E275 VanDerWaalsContact C-N 3.32Å; R273-E275 PolarHBondContact O-N 3.42Å; E275-W277 VanDerWaalsContact C-N 3.31Å; E275-W277 PolarHBondContact O-N 2.85Å; E275-L278 PolarHBondContact O-N 3.38Å; E275-Q279 VanDerWaalsContact O-CG 3.31Å; E275-Q279 WeakPolarHBondContact O-CG 3.4Å; E275-Q279 PolarHBondContact O-N 2.92Å
276	K	94.9	Very high	94.5	Very high	96 Å²	96	31.6 Å²	31.6	42%	0.417	16%	0.16	S	C	.	.	H	α-helix	trans	-60.3	-41.5	176.3	-66.9	174.8	-169.9	168.4	0	111.6	E272 R273 Q279 L280	E272-K276 PolarHBondContact O-N 2.83Å; E272-K276 WeakPolarHBondContact OE1-CE 3.46Å; E272-K276 IonicContact OE1-NZ 3.46Å; E272-K276 PolarHBondContact OE1-NZ 3.04Å; R273-K276 PolarHBondContact O-N 3.27Å; K276-Q279 WeakPolarHBondContact O-CB 3.4Å; K276-Q279 PolarHBondContact O-N 3.36Å; K276-L280 PolarHBondContact O-N 3.34Å
277	W	96.4	Very high	94.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-44.6	175.6	179.9	81.8	0	0	0	112.4	L127 F209 V213 R273 L274 E275 Q279 L280 M281 C300 L304 I307	L127-W277 HydrophobicContact CD2-CH2 3.95Å; L127-W277 HydrophobicContact CD2-CZ2 4.49Å; L127-W277 HydrophobicContact CD2-CZ3 4.16Å; F209-W277 AromaticContact CD1-CH2 3.92Å; F209-W277 HydrophobicContact CD1-CH2 3.92Å; F209-W277 HydrophobicContact CD1-CZ2 4.05Å; F209-W277 AromaticContact CE1-CH2 3.76Å; F209-W277 HydrophobicContact CE1-CH2 3.76Å; F209-W277 AromaticContact CE1-CZ2 3.76Å; F209-W277 HydrophobicContact CE1-CZ2 3.76Å; F209-W277 HydrophobicContact CG-CH2 4.49Å; F209-W277 HydrophobicContact CZ-CH2 4.22Å; V213-W277 HydrophobicContact CB-CH2 4.36Å; V213-W277 HydrophobicContact CB-CZ3 3.94Å; V213-W277 HydrophobicContact CG1-CH2 4.5Å; V213-W277 HydrophobicContact CG1-CZ3 3.76Å; V213-W277 HydrophobicContact CG2-CH2 3.98Å; V213-W277 HydrophobicContact CG2-CZ3 4.04Å; R273-W277 PolarHBondContact O-N 3.37Å; L274-W277 HydrophobicContact CD2-CE3 4.44Å; L274-W277 PolarHBondContact O-N 3.37Å; E275-W277 VanDerWaalsContact C-N 3.31Å; E275-W277 PolarHBondContact O-N 2.85Å; W277-Q279 VanDerWaalsContact C-N 3.26Å; W277-Q279 PolarHBondContact O-N 3.35Å; W277-L280 WeakPolarHBondContact O-CB 3.38Å; W277-L280 PolarHBondContact O-N 3.21Å; W277-M281 HydrophobicContact CD2-CG 3.91Å; W277-M281 HydrophobicContact CE3-CG 4.07Å; W277-M281 HydrophobicContact CH2-CE 3.99Å; W277-M281 HydrophobicContact CH2-CG 3.78Å; W277-M281 HydrophobicContact CZ2-CE 3.68Å; W277-M281 HydrophobicContact CZ2-CG 3.61Å; W277-M281 HydrophobicContact CZ2-SD 3.95Å; W277-M281 HydrophobicContact CZ3-CG 3.99Å; W277-M281 WeakPolarHBondContact O-CG 3.36Å; W277-M281 PolarHBondContact O-N 2.89Å; W277-C300 VanDerWaalsContact CD1-O 3.32Å; W277-C300 PolarHBondContact NE1-O 2.82Å; W277-L304 HydrophobicContact CZ2-CD2 3.96Å; W277-I307 HydrophobicContact CB-CD1 4.19Å
278	L	98	Very high	94.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-33.6	176.7	-77.9	168.8	0	0	0	112.1	G210 V213 F214 I217 I244 L260 L274 E275 L280 M281 L282	G210-L278 WeakPolarHBondContact O-CD2 3.47Å; V213-L278 HydrophobicContact CB-CD2 4.41Å; V213-L278 HydrophobicContact CG1-CD2 4.28Å; F214-L278 HydrophobicContact CB-CD2 4.25Å; F214-L278 HydrophobicContact CD2-CD1 4.18Å; I217-L278 HydrophobicContact CD1-CD1 4.18Å; I244-L278 HydrophobicContact CB-CB 4.43Å; I244-L278 HydrophobicContact CD1-CB 4.38Å; I244-L278 HydrophobicContact CD1-CD1 4.22Å; I244-L278 HydrophobicContact CG2-CB 3.95Å; L260-L278 HydrophobicContact CD2-CD1 3.69Å; L260-L278 HydrophobicContact CG-CD1 4.3Å; L274-L278 VanDerWaalsContact O-CB 3.31Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 WeakPolarHBondContact O-CG 3.49Å; L274-L278 PolarHBondContact O-N 3.27Å; E275-L278 PolarHBondContact O-N 3.38Å; L278-L280 PolarHBondContact O-N 3.31Å; L278-M281 PolarHBondContact O-N 2.79Å; L278-L282 HydrophobicContact CB-CD1 4.45Å; L278-L282 HydrophobicContact CD2-CD1 4.25Å; L278-L282 VanDerWaalsContact O-CB 3.25Å; L278-L282 WeakPolarHBondContact O-CB 3.3Å; L278-L282 WeakPolarHBondContact O-CG 3.2Å; L278-L282 PolarHBondContact O-N 3.23Å
279	Q	96.1	Very high	94.5	Very high	28 Å²	28	38.1 Å²	38.1	13%	0.131	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-38.3	174.1	-67.9	168.2	6.8	0	0	111.3	N242 I244 K258 E275 K276 W277 K283	N242-Q279 HydrophobicContact CB-CG 4.31Å; N242-Q279 WeakPolarHBondContact O-CG 3.35Å; I244-Q279 HydrophobicContact CG2-CB 4.24Å; I244-Q279 HydrophobicContact CG2-CG 3.53Å; K258-Q279 PolarHBondContact O-NE2 3.01Å; E275-Q279 VanDerWaalsContact O-CG 3.31Å; E275-Q279 WeakPolarHBondContact O-CG 3.4Å; E275-Q279 PolarHBondContact O-N 2.92Å; K276-Q279 WeakPolarHBondContact O-CB 3.4Å; K276-Q279 PolarHBondContact O-N 3.36Å; W277-Q279 VanDerWaalsContact C-N 3.26Å; W277-Q279 PolarHBondContact O-N 3.35Å; Q279-K283 WeakPolarHBondContact O-CG 3.26Å; Q279-K283 PolarHBondContact O-N 3.26Å
280	L	94.8	Very high	94.4	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.047	17%	0.172	C	C	.	.	H	α-helix	trans	-70.1	-41.6	175.7	-56.4	-176.8	0	0	0	112.6	K276 W277 L278 R289 G290 K291 Q303	K276-L280 PolarHBondContact O-N 3.34Å; W277-L280 WeakPolarHBondContact O-CB 3.38Å; W277-L280 PolarHBondContact O-N 3.21Å; L278-L280 PolarHBondContact O-N 3.31Å; L280-R289 WeakPolarHBondContact O-CG 3.45Å; L280-G290 PolarHBondContact O-N 3.13Å; L280-K291 WeakPolarHBondContact CD2-O 3.4Å; L280-Q303 VanDerWaalsContact CD1-CD 3.48Å; L280-Q303 VanDerWaalsContact CD1-OE1 3.27Å
281	M	96.4	Very high	94.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-73.6	-30.3	-176.6	-61.1	-59.7	-83.9	0	0	112.6	Y206 F209 W277 L278 R289 C300	Y206-M281 HydrophobicContact CD1-CE 4.44Å; Y206-M281 HydrophobicContact CG-CE 4.32Å; Y206-M281 WeakPolarHBondContact O-CE 3.23Å; F209-M281 HydrophobicContact CB-CE 4.08Å; F209-M281 HydrophobicContact CD1-CE 3.58Å; F209-M281 HydrophobicContact CE1-CE 4.47Å; F209-M281 HydrophobicContact CG-CE 4.24Å; W277-M281 HydrophobicContact CD2-CG 3.91Å; W277-M281 HydrophobicContact CE3-CG 4.07Å; W277-M281 HydrophobicContact CH2-CE 3.99Å; W277-M281 HydrophobicContact CH2-CG 3.78Å; W277-M281 HydrophobicContact CZ2-CE 3.68Å; W277-M281 HydrophobicContact CZ2-CG 3.61Å; W277-M281 HydrophobicContact CZ2-SD 3.95Å; W277-M281 HydrophobicContact CZ3-CG 3.99Å; W277-M281 WeakPolarHBondContact O-CG 3.36Å; W277-M281 PolarHBondContact O-N 2.89Å; L278-M281 PolarHBondContact O-N 2.79Å; M281-R289 VanDerWaalsContact O-CD 3.3Å; M281-R289 WeakPolarHBondContact O-CD 3.24Å; M281-R289 WeakPolarHBondContact O-CG 3.46Å; M281-C300 HydrophobicContact SD-CB 3.58Å; M281-C300 VanDerWaalsContact SD-CB 3.58Å; M281-C300 VanDerWaalsContact SD-SG 3.61Å
282	L	96.9	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	19.4	-175.4	-59.8	179.7	0	0	0	113.5	W207 T211 P222 F223 K239 I244 L278 W284	W207-L282 HydrophobicContact CE3-CD2 4.41Å; W207-L282 WeakPolarHBondContact CZ3-O 3.45Å; T211-L282 HydrophobicContact CG2-CD2 3.62Å; P222-L282 HydrophobicContact CB-CD1 4.25Å; P222-L282 HydrophobicContact CG-CD1 4.28Å; F223-L282 HydrophobicContact CE2-CB 4.35Å; F223-L282 HydrophobicContact CE2-CD1 4.36Å; F223-L282 HydrophobicContact CE2-CD2 4.11Å; F223-L282 HydrophobicContact CZ-CB 4.06Å; F223-L282 HydrophobicContact CZ-CD1 4.13Å; F223-L282 HydrophobicContact CZ-CG 4.49Å; K239-L282 PolarHBondContact NZ-O 2.83Å; I244-L282 HydrophobicContact CB-CD1 4.08Å; I244-L282 HydrophobicContact CG2-CD1 4.47Å; L278-L282 HydrophobicContact CB-CD1 4.45Å; L278-L282 HydrophobicContact CD2-CD1 4.25Å; L278-L282 VanDerWaalsContact O-CB 3.25Å; L278-L282 WeakPolarHBondContact O-CB 3.3Å; L278-L282 WeakPolarHBondContact O-CG 3.2Å; L278-L282 PolarHBondContact O-N 3.23Å; L282-W284 PolarHBondContact O-N 2.76Å
283	K	95.3	Very high	91.6	Very high	14 Å²	14	43 Å²	43	6%	0.061	21%	0.206	C	C	.	.			trans	-61.5	136.7	168	-68.9	-169.1	178.2	168.7	0	110.3	Q279 E288 R289 K291	Q279-K283 WeakPolarHBondContact O-CG 3.26Å; Q279-K283 PolarHBondContact O-N 3.26Å; K283-E288 HydrophobicContact CD-CB 3.93Å; K283-E288 WeakPolarHBondContact CD-O 3.43Å; K283-R289 HydrophobicContact CB-CB 4.21Å; K283-R289 HydrophobicContact CB-CG 4.39Å; K283-R289 PolarHBondContact O-NE 3.42Å; K283-R289 PolarHBondContact O-NH2 2.96Å; K283-K291 PolarHBondContact NZ-O 2.88Å; K283-K291 VanDerWaalsContact NZ-O 3.16Å
284	W	94.8	Very high	90	Very high	41 Å²	41	43.8 Å²	43.8	16%	0.155	22%	0.219	C	C	.	.	S	Bend	trans	-66.1	-46.5	176.3	-175.2	-88.8	0	0	0	110.8	P192 W207 H233 V236 R237 K239 L282 P286 R289	P192-W284 HydrophobicContact CB-CD2 4.1Å; P192-W284 HydrophobicContact CB-CE3 4.11Å; P192-W284 HydrophobicContact CB-CH2 3.65Å; P192-W284 HydrophobicContact CB-CZ2 3.61Å; P192-W284 HydrophobicContact CB-CZ3 3.88Å; P192-W284 HydrophobicContact CG-CD2 3.91Å; P192-W284 HydrophobicContact CG-CE3 3.58Å; P192-W284 HydrophobicContact CG-CH2 3.9Å; P192-W284 HydrophobicContact CG-CZ2 4.18Å; P192-W284 HydrophobicContact CG-CZ3 3.57Å; W207-W284 HydrophobicContact CH2-CE3 4.46Å; H233-W284 AromaticContact CD2-CH2 3.72Å; H233-W284 AromaticContact NE2-CH2 3.81Å; H233-W284 AromaticContact NE2-CZ2 3.59Å; V236-W284 HydrophobicContact CB-CZ3 4.2Å; V236-W284 HydrophobicContact CG1-CE3 4.31Å; V236-W284 HydrophobicContact CG1-CZ3 3.87Å; R237-W284 HydrophobicContact CB-CH2 3.79Å; R237-W284 HydrophobicContact CB-CZ2 3.72Å; R237-W284 HydrophobicContact CB-CZ3 4.36Å; R237-W284 HydrophobicContact CG-CH2 4.42Å; R237-W284 HydrophobicContact CG-CZ2 3.84Å; K239-W284 HydrophobicContact CD-CB 4.45Å; K239-W284 HydrophobicContact CD-CE3 4.42Å; L282-W284 PolarHBondContact O-N 2.76Å; W284-P286 WeakPolarHBondContact O-CD 3.18Å; W284-R289 PolarHBondContact O-NH2 3.18Å; W284-R289 VanDerWaalsContact O-NH2 3.09Å
285	S	92.9	Very high	87.9	Confident	40 Å²	40	51.5 Å²	51.5	28%	0.28	26%	0.26	S	S	.	.			trans	-62.7	118.3	-179.7	175.7	0	0	0	0	111.9	K287 E288 R289	S285-K287 PolarHBondContact O-N 2.86Å; S285-E288 PolarHBondContact O-N 3.26Å; S285-R289 WeakPolarHBondContact O-CB 3.5Å; S285-R289 PolarHBondContact O-N 3.23Å
286	P	91.4	Very high	85.8	Confident	36 Å²	36	53.6 Å²	53.6	23%	0.234	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.4	179.7	26.1	-34.5	0	0	0	113.4	E193 S203 W284	E193-P286 HydrophobicContact CB-CG 4.43Å; E193-P286 HydrophobicContact CG-CB 4.26Å; S203-P286 WeakPolarHBondContact CB-O 3.33Å; S203-P286 PolarHBondContact OG-O 2.62Å; W284-P286 WeakPolarHBondContact O-CD 3.18Å
287	K	89.2	Confident	83.7	Confident	158 Å²	158	55 Å²	55	69%	0.687	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-31	179.8	-68	-176.1	179.7	179.9	0	113.4	S285 K291	S285-K287 PolarHBondContact O-N 2.86Å; K287-K291 WeakPolarHBondContact O-CD 3.42Å; K287-K291 WeakPolarHBondContact O-CE 3.44Å; K287-K291 PolarHBondContact O-NZ 2.96Å
288	E	90.4	Very high	81.9	Confident	88 Å²	88	56.6 Å²	56.6	41%	0.411	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-19.3	-177.7	-61.3	-54	125.3	0	0	112.4	K283 S285 G290 K291	K283-E288 HydrophobicContact CD-CB 3.93Å; K283-E288 WeakPolarHBondContact CD-O 3.43Å; S285-E288 PolarHBondContact O-N 3.26Å; E288-G290 PolarHBondContact O-N 2.86Å; E288-K291 WeakPolarHBondContact O-CB 3.49Å; E288-K291 PolarHBondContact O-N 3.45Å; E288-K291 VanDerWaalsContact O-N 3.1Å
289	R	93.5	Very high	81	Confident	6 Å²	6	59.7 Å²	59.7	2%	0.023	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	131.2	-179.3	-165.8	-173.6	-60.5	145.7	6.2	110.9	E193 S203 L280 M281 K283 W284 S285 K291	E193-R289 IonicContact OE1-CZ 3.06Å; E193-R289 IonicContact OE1-NH1 3.33Å; E193-R289 PolarHBondContact OE1-NH1 3.43Å; E193-R289 IonicContact OE1-NH2 3.94Å; E193-R289 IonicContact OE2-CZ 3.81Å; E193-R289 IonicContact OE2-NH1 2.76Å; E193-R289 PolarHBondContact OE2-NH1 3.42Å; E193-R289 IonicContact OE2-NH2 2.73Å; E193-R289 PolarHBondContact OE2-NH2 3.08Å; S203-R289 VanDerWaalsContact O-CD 3.25Å; S203-R289 WeakPolarHBondContact O-CD 3.49Å; S203-R289 PolarHBondContact O-NH1 3.08Å; L280-R289 WeakPolarHBondContact O-CG 3.45Å; M281-R289 VanDerWaalsContact O-CD 3.3Å; M281-R289 WeakPolarHBondContact O-CD 3.24Å; M281-R289 WeakPolarHBondContact O-CG 3.46Å; K283-R289 HydrophobicContact CB-CB 4.21Å; K283-R289 HydrophobicContact CB-CG 4.39Å; K283-R289 PolarHBondContact O-NE 3.42Å; K283-R289 PolarHBondContact O-NH2 2.96Å; W284-R289 PolarHBondContact O-NH2 3.18Å; W284-R289 VanDerWaalsContact O-NH2 3.09Å; S285-R289 WeakPolarHBondContact O-CB 3.5Å; S285-R289 PolarHBondContact O-N 3.23Å; R289-K291 VanDerWaalsContact C-N 3.26Å; R289-K291 PolarHBondContact O-N 3.15Å
290	G	90.5	Very high	80.7	Confident	4 Å²	4	58.4 Å²	58.4	4%	0.041	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-1.3	-176.8	0	0	0	0	0	115.3	L280 E288 C300	L280-G290 PolarHBondContact O-N 3.13Å; E288-G290 PolarHBondContact O-N 2.86Å; G290-C300 PolarHBondContact O-N 3.08Å
291	K	86.9	Confident	80.5	Confident	114 Å²	114	59.2 Å²	59.2	50%	0.496	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-103	133.9	176.8	-61.6	-179.9	-179	165.4	0	111.9	L280 K283 K287 E288 R289	L280-K291 WeakPolarHBondContact CD2-O 3.4Å; K283-K291 PolarHBondContact NZ-O 2.88Å; K283-K291 VanDerWaalsContact NZ-O 3.16Å; K287-K291 WeakPolarHBondContact O-CD 3.42Å; K287-K291 WeakPolarHBondContact O-CE 3.44Å; K287-K291 PolarHBondContact O-NZ 2.96Å; E288-K291 WeakPolarHBondContact O-CB 3.49Å; E288-K291 PolarHBondContact O-N 3.45Å; E288-K291 VanDerWaalsContact O-N 3.1Å; R289-K291 VanDerWaalsContact C-N 3.26Å; R289-K291 PolarHBondContact O-N 3.15Å
292	D	72.6	Confident	80.2	Confident	30 Å²	30	63.9 Å²	63.9	16%	0.16	34%	0.341	C	S	.	.			trans	-70.7	129	171.2	-169.6	-29.4	0	0	0	110.4	N294 N295 S298 Q303	D292-N294 PolarHBondContact O-N 3.19Å; D292-N294 PolarHBondContact OD1-N 3.3Å; D292-N295 PolarHBondContact O-N 3.31Å; D292-S298 WeakPolarHBondContact CB-O 3.38Å; D292-Q303 PolarHBondContact OD2-NE2 3.27Å
293	P	63.4	Low	79.9	Confident	96 Å²	96	65.9 Å²	65.9	62%	0.623	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.4	177.1	22.7	-33.6	0	0	0	115.1	N295	P293-N295 VanDerWaalsContact C-N 3.28Å; P293-N295 PolarHBondContact O-N 2.81Å
294	N	62.8	Low	79.8	Confident	129 Å²	129	65.2 Å²	65.2	69%	0.69	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	9	-177	-71.1	-23	0	0	0	115	D292 T296	D292-N294 PolarHBondContact O-N 3.19Å; D292-N294 PolarHBondContact OD1-N 3.3Å; N294-T296 PolarHBondContact O-N 2.84Å
295	N	51.2	Low	79.7	Confident	162 Å²	162	68.2 Å²	68.2	87%	0.866	36%	0.363	S	S	*	.			trans	56.9	18.8	176.6	-108.4	-1.9	0	0	0	114.7	D292 P293	D292-N295 PolarHBondContact O-N 3.31Å; P293-N295 VanDerWaalsContact C-N 3.28Å; P293-N295 PolarHBondContact O-N 2.81Å
296	T	54.4	Low	79.6	Confident	74 Å²	74	69.4 Å²	69.4	45%	0.454	37%	0.371	S	S	.	.			trans	-75.3	152.8	166.5	42.6	0	0	0	0	109.3	N294 S298	N294-T296 PolarHBondContact O-N 2.84Å; T296-S298 PolarHBondContact O-N 3.41Å
297	P	50.1	Low	79.7	Confident	127 Å²	127	68.1 Å²	68.1	83%	0.825	36%	0.362	S	S	*	.	S	Bend	trans	-68	11.4	176.3	29	-34.6	0	0	0	113.7	D299	P297-D299 PolarHBondContact O-N 3.28Å; P297-D299 VanDerWaalsContact O-N 3.16Å
298	S	57.9	Low	79.8	Confident	33 Å²	33	61.1 Å²	61.1	23%	0.231	33%	0.333	C	S	.	.			trans	-80.9	93.5	178.6	-177	0	0	0	0	109.9	D292 T296 Q303	D292-S298 WeakPolarHBondContact CB-O 3.38Å; T296-S298 PolarHBondContact O-N 3.41Å; S298-Q303 WeakPolarHBondContact OG-CG 3.13Å
299	D	80.7	Confident	79.9	Confident	64 Å²	64	62.4 Å²	62.4	34%	0.342	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-67.1	174.8	166.6	66.6	32.6	0	0	0	111.8	P297 F301 H302 Q303	P297-D299 PolarHBondContact O-N 3.28Å; P297-D299 VanDerWaalsContact O-N 3.16Å; D299-F301 PolarHBondContact O-N 2.97Å; D299-F301 WeakPolarHBondContact OD1-CA 3.46Å; D299-F301 WeakPolarHBondContact OD1-CB 3.2Å; D299-F301 PolarHBondContact OD1-N 3.34Å; D299-H302 PolarHBondContact O-N 3.01Å; D299-H302 IonicContact OD1-CE1 2.7Å; D299-H302 IonicContact OD1-CG 3.26Å; D299-H302 PolarHBondContact OD1-N 2.89Å; D299-H302 IonicContact OD1-ND1 3.19Å; D299-H302 PolarHBondContact OD1-ND1 3.24Å; D299-H302 IonicContact OD2-CE1 2.76Å; D299-H302 PolarHBondContact OD2-CE1 3.48Å; D299-H302 IonicContact OD2-ND1 2.62Å; D299-H302 PolarHBondContact OD2-ND1 3.47Å; D299-Q303 PolarHBondContact O-N 3.36Å; D299-Q303 VanDerWaalsContact O-N 3.16Å
300	C	89.3	Confident	79.7	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.007	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-22.5	178.8	58.5	0	0	0	0	114.5	W277 M281 G290 L304	W277-C300 VanDerWaalsContact CD1-O 3.32Å; W277-C300 PolarHBondContact NE1-O 2.82Å; M281-C300 HydrophobicContact SD-CB 3.58Å; M281-C300 VanDerWaalsContact SD-CB 3.58Å; M281-C300 VanDerWaalsContact SD-SG 3.61Å; G290-C300 PolarHBondContact O-N 3.08Å; C300-L304 WeakPolarHBondContact O-CB 3.38Å; C300-L304 PolarHBondContact O-N 2.92Å
301	F	91.2	Very high	79.8	Confident	27 Å²	27	65.6 Å²	65.6	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-82.6	-36.2	177.6	-67	-63.7	0	0	0	111.7	L134 Y206 F209 D299 L304 E305	L134-F301 HydrophobicContact CB-CE1 4.49Å; L134-F301 HydrophobicContact CB-CZ 4.12Å; Y206-F301 HydrophobicContact CD1-CE2 4.28Å; Y206-F301 HydrophobicContact CD1-CZ 4.19Å; Y206-F301 AromaticContact CE1-CE2 3.56Å; Y206-F301 HydrophobicContact CE1-CE2 3.56Å; Y206-F301 AromaticContact CE1-CZ 3.86Å; Y206-F301 HydrophobicContact CE1-CZ 3.86Å; F209-F301 HydrophobicContact CD1-CE1 4.47Å; F209-F301 HydrophobicContact CE1-CE1 4.33Å; D299-F301 PolarHBondContact O-N 2.97Å; D299-F301 WeakPolarHBondContact OD1-CA 3.46Å; D299-F301 WeakPolarHBondContact OD1-CB 3.2Å; D299-F301 PolarHBondContact OD1-N 3.34Å; F301-L304 PolarHBondContact O-N 3.43Å; F301-E305 WeakPolarHBondContact O-CB 3.45Å; F301-E305 PolarHBondContact O-N 3.43Å
302	H	89.6	Confident	80	Confident	97 Å²	97	60.2 Å²	60.2	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-41.8	170.9	-69	80.6	0	0	0	111.6	D299 L304 E305 S306	D299-H302 PolarHBondContact O-N 3.01Å; D299-H302 IonicContact OD1-CE1 2.7Å; D299-H302 IonicContact OD1-CG 3.26Å; D299-H302 PolarHBondContact OD1-N 2.89Å; D299-H302 IonicContact OD1-ND1 3.19Å; D299-H302 PolarHBondContact OD1-ND1 3.24Å; D299-H302 IonicContact OD2-CE1 2.76Å; D299-H302 PolarHBondContact OD2-CE1 3.48Å; D299-H302 IonicContact OD2-ND1 2.62Å; D299-H302 PolarHBondContact OD2-ND1 3.47Å; H302-L304 VanDerWaalsContact C-N 3.3Å; H302-L304 PolarHBondContact O-N 3Å; H302-E305 PolarHBondContact O-N 2.94Å; H302-S306 PolarHBondContact O-N 2.85Å
303	Q	90.6	Very high	81	Confident	42 Å²	42	58.8 Å²	58.8	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-40	174.1	-71.3	-162.1	10.3	0	0	111.8	L280 D292 S298 D299 S306 I307	L280-Q303 VanDerWaalsContact CD1-CD 3.48Å; L280-Q303 VanDerWaalsContact CD1-OE1 3.27Å; D292-Q303 PolarHBondContact OD2-NE2 3.27Å; S298-Q303 WeakPolarHBondContact OG-CG 3.13Å; D299-Q303 PolarHBondContact O-N 3.36Å; D299-Q303 VanDerWaalsContact O-N 3.16Å; Q303-S306 PolarHBondContact O-N 2.98Å; Q303-I307 VanDerWaalsContact O-CG1 3.3Å; Q303-I307 WeakPolarHBondContact O-CG1 3.26Å; Q303-I307 PolarHBondContact O-N 3.38Å
304	L	93.3	Very high	82.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-41	177.4	-176.2	58.4	0	0	0	111.9	L127 F209 L274 W277 C300 F301 H302 S306 I307 L308	L127-L304 HydrophobicContact CB-CD1 4.17Å; L127-L304 HydrophobicContact CB-CD2 4.4Å; L127-L304 HydrophobicContact CD1-CD1 4.07Å; L127-L304 HydrophobicContact CD2-CD1 3.92Å; L127-L304 HydrophobicContact CD2-CD2 4.11Å; L127-L304 HydrophobicContact CG-CD1 4.29Å; F209-L304 HydrophobicContact CE1-CD2 4.25Å; L274-L304 HydrophobicContact CD2-CD1 4.38Å; W277-L304 HydrophobicContact CZ2-CD2 3.96Å; C300-L304 WeakPolarHBondContact O-CB 3.38Å; C300-L304 PolarHBondContact O-N 2.92Å; F301-L304 PolarHBondContact O-N 3.43Å; H302-L304 VanDerWaalsContact C-N 3.3Å; H302-L304 PolarHBondContact O-N 3Å; L304-S306 VanDerWaalsContact C-N 3.34Å; L304-S306 PolarHBondContact O-N 3.28Å; L304-I307 WeakPolarHBondContact O-CB 3.25Å; L304-I307 PolarHBondContact O-N 3.23Å; L304-I307 VanDerWaalsContact O-N 3.11Å; L304-L308 HydrophobicContact CD1-CG 4.44Å; L304-L308 HydrophobicContact CG-CD1 4.06Å; L304-L308 HydrophobicContact CG-CG 4.44Å; L304-L308 WeakPolarHBondContact O-CG 3.41Å; L304-L308 PolarHBondContact O-N 3.38Å
305	E	92	Very high	84	Confident	104 Å²	104	48.7 Å²	48.7	49%	0.486	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-44.7	175.9	-177.8	170.4	-156.2	0	0	111.2	F301 H302 I307 L308 Q309	F301-E305 WeakPolarHBondContact O-CB 3.45Å; F301-E305 PolarHBondContact O-N 3.43Å; H302-E305 PolarHBondContact O-N 2.94Å; E305-I307 VanDerWaalsContact C-N 3.25Å; E305-I307 PolarHBondContact O-N 3.35Å; E305-L308 PolarHBondContact O-N 3.18Å; E305-L308 VanDerWaalsContact O-N 3.11Å; E305-Q309 HydrophobicContact CG-CG 4.42Å; E305-Q309 WeakPolarHBondContact O-CG 3.32Å; E305-Q309 PolarHBondContact O-N 3.19Å; E305-Q309 PolarHBondContact OE1-NE2 3.21Å
306	S	91.6	Very high	86.1	Confident	66 Å²	66	41.2 Å²	41.2	46%	0.462	22%	0.222	S	C	.	.	H	α-helix	trans	-59.2	-35.1	173.8	175.8	0	0	0	0	112.9	H302 Q303 L304	H302-S306 PolarHBondContact O-N 2.85Å; Q303-S306 PolarHBondContact O-N 2.98Å; L304-S306 VanDerWaalsContact C-N 3.34Å; L304-S306 PolarHBondContact O-N 3.28Å
307	I	92.8	Very high	88	Confident	8 Å²	8	38.2 Å²	38.2	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-69.7	-42.4	175	-65.4	168.2	0	0	0	110.8	L270 R273 L274 W277 Q303 L304 E305 Q309 L310	L270-I307 HydrophobicContact CD2-CG2 3.79Å; R273-I307 HydrophobicContact CB-CD1 3.86Å; R273-I307 HydrophobicContact CB-CG1 3.92Å; L274-I307 HydrophobicContact CD2-CD1 4.18Å; L274-I307 HydrophobicContact CD2-CG2 4.38Å; W277-I307 HydrophobicContact CB-CD1 4.19Å; Q303-I307 VanDerWaalsContact O-CG1 3.3Å; Q303-I307 WeakPolarHBondContact O-CG1 3.26Å; Q303-I307 PolarHBondContact O-N 3.38Å; L304-I307 WeakPolarHBondContact O-CB 3.25Å; L304-I307 PolarHBondContact O-N 3.23Å; L304-I307 VanDerWaalsContact O-N 3.11Å; E305-I307 VanDerWaalsContact C-N 3.25Å; E305-I307 PolarHBondContact O-N 3.35Å; I307-Q309 VanDerWaalsContact C-N 3.32Å; I307-Q309 PolarHBondContact O-N 3.48Å; I307-L310 WeakPolarHBondContact O-CB 3.48Å; I307-L310 WeakPolarHBondContact O-CG 3.26Å; I307-L310 PolarHBondContact O-N 3.43Å
308	L	91.6	Very high	90.1	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-70.2	-26.3	-178	-69.8	170.4	0	0	0	113.2	L124 L127 R128 L304 E305 L310 M376	L124-L308 HydrophobicContact CB-CD2 4.3Å; L124-L308 HydrophobicContact CD2-CD2 4.09Å; L127-L308 HydrophobicContact CB-CD2 4.33Å; R128-L308 HydrophobicContact CB-CD1 4Å; R128-L308 HydrophobicContact CB-CD2 4.39Å; L304-L308 HydrophobicContact CD1-CG 4.44Å; L304-L308 HydrophobicContact CG-CD1 4.06Å; L304-L308 HydrophobicContact CG-CG 4.44Å; L304-L308 WeakPolarHBondContact O-CG 3.41Å; L304-L308 PolarHBondContact O-N 3.38Å; E305-L308 PolarHBondContact O-N 3.18Å; E305-L308 VanDerWaalsContact O-N 3.11Å; L308-L310 VanDerWaalsContact C-N 3.3Å; L308-M376 HydrophobicContact CB-SD 4.25Å
309	Q	91.4	Very high	91.6	Very high	114 Å²	114	32 Å²	32	53%	0.533	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.5	177.3	-71	174.1	-3.5	0	0	113.9	E305 I307 K311	E305-Q309 HydrophobicContact CG-CG 4.42Å; E305-Q309 WeakPolarHBondContact O-CG 3.32Å; E305-Q309 PolarHBondContact O-N 3.19Å; E305-Q309 PolarHBondContact OE1-NE2 3.21Å; I307-Q309 VanDerWaalsContact C-N 3.32Å; I307-Q309 PolarHBondContact O-N 3.48Å; Q309-K311 PolarHBondContact O-N 3.04Å
310	L	90.6	Very high	92	Very high	27 Å²	27	29.6 Å²	29.6	14%	0.141	15%	0.148	C	C	.	.			trans	-65.5	132	178.7	-68.5	174.2	0	0	0	111.2	L270 I307 L308 L312 A327 Y375	L270-L310 HydrophobicContact CD2-CD1 4.39Å; I307-L310 WeakPolarHBondContact O-CB 3.48Å; I307-L310 WeakPolarHBondContact O-CG 3.26Å; I307-L310 PolarHBondContact O-N 3.43Å; L308-L310 VanDerWaalsContact C-N 3.3Å; L310-L312 HydrophobicContact CB-CD2 3.94Å; L310-L312 HydrophobicContact CB-CG 4.33Å; L310-A327 HydrophobicContact CD2-CB 4.13Å; L310-Y375 WeakPolarHBondContact O-CD2 3.38Å
311	K	91.4	Very high	92	Very high	51 Å²	51	31.2 Å²	31.2	22%	0.222	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.7	165.8	-65.2	-178.7	-177.7	-179.3	0	108.6	Q309 A327 I328 D330 A372 V373 D374	Q309-K311 PolarHBondContact O-N 3.04Å; K311-A327 WeakPolarHBondContact O-CA 3.48Å; K311-I328 HydrophobicContact CB-CD1 4.31Å; K311-I328 HydrophobicContact CB-CG1 3.89Å; K311-I328 VanDerWaalsContact O-CG1 3.3Å; K311-I328 WeakPolarHBondContact O-CG1 3.35Å; K311-I328 PolarHBondContact O-N 3.38Å; K311-D330 WeakPolarHBondContact CD-OD1 3.5Å; K311-D330 WeakPolarHBondContact CE-OD1 3.49Å; K311-D330 IonicContact NZ-OD1 2.89Å; K311-D330 PolarHBondContact NZ-OD1 3.29Å; K311-D330 IonicContact NZ-OD2 3.53Å; K311-A372 HydrophobicContact CB-CB 4.16Å; K311-V373 WeakPolarHBondContact CA-O 2.99Å; K311-D374 VanDerWaalsContact CE-OD2 3.26Å; K311-D374 WeakPolarHBondContact CE-OD2 3.23Å; K311-D374 IonicContact NZ-OD2 2.73Å
312	L	91.8	Very high	92	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.5	-172.6	-57.6	-168.5	0	0	0	112	L269 L270 L310 I325 Y326 A327 A372 V373 Y375	L269-L312 HydrophobicContact CD2-CD1 4.21Å; L269-L312 HydrophobicContact CD2-CD2 3.54Å; L270-L312 HydrophobicContact CG-CD1 4.3Å; L310-L312 HydrophobicContact CB-CD2 3.94Å; L310-L312 HydrophobicContact CB-CG 4.33Å; L312-I325 HydrophobicContact CB-CG2 4.23Å; L312-I325 HydrophobicContact CD1-CG2 3.92Å; L312-I325 HydrophobicContact CG-CG2 4.48Å; L312-Y326 WeakPolarHBondContact CA-O 3.5Å; L312-A327 HydrophobicContact CD2-CB 3.72Å; L312-A372 CarbonylContact O-C 3.58Å; L312-A372 WeakPolarHBondContact O-CA 3.44Å; L312-V373 PolarHBondContact N-O 3.26Å; L312-V373 VanDerWaalsContact N-O 3.13Å; L312-V373 PolarHBondContact O-N 3.04Å; L312-Y375 HydrophobicContact CB-CE2 4.24Å; L312-Y375 HydrophobicContact CD1-CE2 3.53Å; L312-Y375 WeakPolarHBondContact CD1-OH 3.34Å; L312-Y375 HydrophobicContact CG-CE2 3.65Å
313	V	93.4	Very high	92.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.4	167.9	-177.6	0	0	0	0	108.9	V315 I325 Y326 I328 L337 A372 V388	V313-V315 HydrophobicContact CG1-CG2 3.89Å; V313-I325 WeakPolarHBondContact O-CA 3.23Å; V313-Y326 PolarHBondContact N-O 3.25Å; V313-Y326 PolarHBondContact O-N 3.33Å; V313-I328 HydrophobicContact CG2-CD1 3.95Å; V313-I328 HydrophobicContact CG2-CG1 4.14Å; V313-I328 HydrophobicContact CG2-CG2 3.81Å; V313-L337 HydrophobicContact CB-CD2 4.37Å; V313-L337 HydrophobicContact CG1-CD2 4.01Å; V313-L337 HydrophobicContact CG2-CD2 4.43Å; V313-A372 HydrophobicContact CG2-CB 3.77Å; V313-V388 HydrophobicContact CG1-CG2 3.96Å
314	H	93.8	Very high	92.2	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.06	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.3	179	-68	-128.3	0	0	0	109.1	I323 L387 V388	H314-I323 HydrophobicContact CB-CG2 4.3Å; H314-L387 HydrophobicContact CB-CD1 3.76Å; H314-V388 PolarHBondContact O-N 3.4Å
315	V	95.8	Very high	92.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108.8	-176.6	-175.4	0	0	0	0	109.6	V313 N317 I323 L324 Y326 I341 L354 V388 L390	V313-V315 HydrophobicContact CG1-CG2 3.89Å; V315-N317 PolarHBondContact O-N 3.27Å; V315-I323 CarbonylContact O-C 3.49Å; V315-I323 WeakPolarHBondContact O-CA 3.36Å; V315-L324 HydrophobicContact CB-CB 4.45Å; V315-L324 PolarHBondContact N-O 3.35Å; V315-L324 PolarHBondContact O-N 2.69Å; V315-Y326 HydrophobicContact CB-CE2 4.23Å; V315-Y326 HydrophobicContact CG2-CD2 3.98Å; V315-Y326 HydrophobicContact CG2-CE2 3.98Å; V315-I341 HydrophobicContact CG1-CD1 4.26Å; V315-I341 HydrophobicContact CG2-CD1 4.09Å; V315-L354 HydrophobicContact CG1-CD2 4.29Å; V315-V388 CarbonylContact C-O 3.55Å; V315-V388 VanDerWaalsContact CA-O 3.29Å; V315-V388 WeakPolarHBondContact CA-O 3.36Å; V315-V388 HydrophobicContact CG2-CB 4.35Å; V315-L390 HydrophobicContact CG1-CB 3.66Å; V315-L390 HydrophobicContact CG1-CD2 4.42Å
316	L	95.4	Very high	92.4	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	109.8	170.6	178	60.1	0	0	0	109.5	M318 I323 L387 V388 F389 L390 R447 L448	L316-M318 HydrophobicContact CD2-SD 3.75Å; L316-M318 HydrophobicContact CG-SD 3.84Å; L316-M318 PolarHBondContact O-N 3.13Å; L316-I323 HydrophobicContact CD1-CG1 3.87Å; L316-L387 HydrophobicContact CB-CD2 3.61Å; L316-L387 HydrophobicContact CB-CG 4.06Å; L316-L387 HydrophobicContact CD2-CD2 3.77Å; L316-L387 HydrophobicContact CG-CD2 4.32Å; L316-V388 PolarHBondContact N-O 2.87Å; L316-F389 HydrophobicContact CB-CD1 4.23Å; L316-F389 HydrophobicContact CD2-CD1 4.01Å; L316-F389 HydrophobicContact CD2-CE1 4.05Å; L316-L390 PolarHBondContact O-N 3.28Å; L316-R447 HydrophobicContact CD2-CB 4.09Å; L316-L448 HydrophobicContact CD2-CD2 4.33Å
317	N	94.4	Very high	92.5	Very high	11 Å²	11	27.7 Å²	27.7	6%	0.059	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	110.1	171.7	179.6	-15.6	0	0	0	109.5	V315 M319 S320 A321 K322 L324 T345 L390	V315-N317 PolarHBondContact O-N 3.27Å; N317-M319 PolarHBondContact O-N 2.91Å; N317-M319 WeakPolarHBondContact OD1-CA 3.44Å; N317-M319 VanDerWaalsContact OD1-CB 3.26Å; N317-M319 WeakPolarHBondContact OD1-CB 3.46Å; N317-M319 PolarHBondContact OD1-N 3.44Å; N317-S320 WeakPolarHBondContact CB-OG 3.49Å; N317-S320 VanDerWaalsContact CG-OG 3.25Å; N317-S320 PolarHBondContact ND2-OG 3.35Å; N317-S320 PolarHBondContact O-N 3.01Å; N317-S320 PolarHBondContact OD1-N 3.4Å; N317-A321 WeakPolarHBondContact O-CA 3.23Å; N317-A321 PolarHBondContact O-N 3.2Å; N317-K322 PolarHBondContact N-O 2.91Å; N317-L324 HydrophobicContact CB-CD1 4.45Å; N317-T345 WeakPolarHBondContact ND2-CG2 3.41Å; N317-L390 HydrophobicContact CB-CD2 4.25Å
318	M	93.9	Very high	92.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.4	-176.1	-61.2	-62.6	-64.4	0	0	113.4	L316 F389 L390 F391 Y398 L448 F606 Y607 L610	L316-M318 HydrophobicContact CD2-SD 3.75Å; L316-M318 HydrophobicContact CG-SD 3.84Å; L316-M318 PolarHBondContact O-N 3.13Å; M318-F389 HydrophobicContact CG-CB 4.22Å; M318-F389 HydrophobicContact SD-CB 4.43Å; M318-F389 HydrophobicContact SD-CD1 3.89Å; M318-L390 VanDerWaalsContact CB-O 3.26Å; M318-L390 WeakPolarHBondContact CB-O 3.18Å; M318-L390 WeakPolarHBondContact CG-O 3.49Å; M318-L390 PolarHBondContact N-O 2.79Å; M318-F391 HydrophobicContact CB-CD1 3.93Å; M318-F391 HydrophobicContact CB-CE1 3.77Å; M318-F391 HydrophobicContact CB-CZ 4.29Å; M318-F391 HydrophobicContact CE-CE1 4.24Å; M318-F391 HydrophobicContact CE-CZ 4.24Å; M318-F391 HydrophobicContact CG-CD1 4.07Å; M318-F391 HydrophobicContact CG-CD2 4.49Å; M318-F391 HydrophobicContact CG-CE1 3.59Å; M318-F391 HydrophobicContact CG-CE2 4.05Å; M318-F391 HydrophobicContact CG-CG 4.5Å; M318-F391 HydrophobicContact CG-CZ 3.58Å; M318-F391 HydrophobicContact SD-CZ 4.46Å; M318-Y398 HydrophobicContact CB-CE1 4.48Å; M318-L448 HydrophobicContact CE-CD2 4.41Å; M318-F606 HydrophobicContact CE-CE1 4.31Å; M318-F606 HydrophobicContact CE-CZ 3.68Å; M318-Y607 WeakPolarHBondContact O-CE1 3.34Å; M318-Y607 PolarHBondContact O-OH 3.16Å; M318-L610 HydrophobicContact CB-CD2 4.41Å; M318-L610 HydrophobicContact CE-CD2 4.5Å
319	M	89.2	Confident	92.6	Very high	29 Å²	29	30.1 Å²	30.1	14%	0.143	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-38.6	172.6	-57.8	-71.5	-75.1	0	0	112.2	N317 I347 D392 Y398 Y607	N317-M319 PolarHBondContact O-N 2.91Å; N317-M319 WeakPolarHBondContact OD1-CA 3.44Å; N317-M319 VanDerWaalsContact OD1-CB 3.26Å; N317-M319 WeakPolarHBondContact OD1-CB 3.46Å; N317-M319 PolarHBondContact OD1-N 3.44Å; M319-I347 HydrophobicContact CG-CD1 4.41Å; M319-D392 HydrophobicContact CG-CB 4.37Å; M319-D392 HydrophobicContact SD-CB 4.21Å; M319-Y398 HydrophobicContact CG-CD1 4.34Å; M319-Y398 HydrophobicContact CG-CE1 4.03Å; M319-Y398 HydrophobicContact SD-CD1 3.21Å; M319-Y398 WeakPolarHBondContact SD-CD1 3.37Å; M319-Y398 HydrophobicContact SD-CD2 4.4Å; M319-Y398 HydrophobicContact SD-CE1 3.06Å; M319-Y398 WeakPolarHBondContact SD-CE1 3.45Å; M319-Y398 HydrophobicContact SD-CE2 4.25Å; M319-Y398 HydrophobicContact SD-CG 3.89Å; M319-Y398 VanDerWaalsContact SD-CZ 3.59Å; M319-Y607 PolarHBondContact O-OH 3.13Å
320	S	89.1	Confident	92.4	Very high	15 Å²	15	29.5 Å²	29.5	11%	0.105	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-6.5	-173.7	62.6	0	0	0	0	113.9	N317 K322	N317-S320 WeakPolarHBondContact CB-OG 3.49Å; N317-S320 VanDerWaalsContact CG-OG 3.25Å; N317-S320 PolarHBondContact ND2-OG 3.35Å; N317-S320 PolarHBondContact O-N 3.01Å; N317-S320 PolarHBondContact OD1-N 3.4Å; S320-K322 PolarHBondContact O-N 3.49Å
321	A	90.1	Very high	92.5	Very high	34 Å²	34	34.1 Å²	34.1	28%	0.281	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	27.6	-170.8	0	0	0	0	0	113.8	N317 L448 Y607	N317-A321 WeakPolarHBondContact O-CA 3.23Å; N317-A321 PolarHBondContact O-N 3.2Å; A321-L448 HydrophobicContact CB-CD1 4.35Å; A321-L448 HydrophobicContact CB-CD2 3.87Å; A321-Y607 PolarHBondContact N-OH 2.77Å
322	K	90.1	Very high	92.7	Very high	107 Å²	107	32.6 Å²	32.6	47%	0.465	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.7	178.7	-67.9	178.9	-176.7	172.9	0	111	N317 S320	N317-K322 PolarHBondContact N-O 2.91Å; S320-K322 PolarHBondContact O-N 3.49Å
323	I	91.8	Very high	93	Very high	59 Å²	59	34.4 Å²	34.4	30%	0.303	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.8	172	-57.2	173	0	0	0	108.2	H314 V315 L316 I325	H314-I323 HydrophobicContact CB-CG2 4.3Å; V315-I323 CarbonylContact O-C 3.49Å; V315-I323 WeakPolarHBondContact O-CA 3.36Å; L316-I323 HydrophobicContact CD1-CG1 3.87Å; I323-I325 HydrophobicContact CG2-CG1 4.09Å
324	L	93.6	Very high	93.1	Very high	32 Å²	32	34.4 Å²	34.4	17%	0.168	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.9	172.4	-55.4	173	0	0	0	108.5	V315 N317 Y326 D344 T345	V315-L324 HydrophobicContact CB-CB 4.45Å; V315-L324 PolarHBondContact N-O 3.35Å; V315-L324 PolarHBondContact O-N 2.69Å; N317-L324 HydrophobicContact CB-CD1 4.45Å; L324-Y326 HydrophobicContact CB-CE2 3.59Å; L324-Y326 WeakPolarHBondContact CD1-OH 3.41Å; L324-D344 HydrophobicContact CD1-CB 4.34Å; L324-T345 HydrophobicContact CD1-CG2 3.35Å
325	I	93.6	Very high	93.3	Very high	29 Å²	29	35.4 Å²	35.4	15%	0.149	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124	-169.2	-54.6	-178.1	0	0	0	109	N267 L269 L312 V313 I323	N267-I325 HydrophobicContact CB-CD1 3.31Å; L269-I325 HydrophobicContact CB-CG2 4.36Å; L312-I325 HydrophobicContact CB-CG2 4.23Å; L312-I325 HydrophobicContact CD1-CG2 3.92Å; L312-I325 HydrophobicContact CG-CG2 4.48Å; V313-I325 WeakPolarHBondContact O-CA 3.23Å; I323-I325 HydrophobicContact CG2-CG1 4.09Å
326	Y	94.3	Very high	93.3	Very high	6 Å²	6	39.2 Å²	39.2	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.8	-175.7	-57.5	-81.8	0	0	0	109.3	L312 V313 V315 L324 L337 R340 I341 D344	L312-Y326 WeakPolarHBondContact CA-O 3.5Å; V313-Y326 PolarHBondContact N-O 3.25Å; V313-Y326 PolarHBondContact O-N 3.33Å; V315-Y326 HydrophobicContact CB-CE2 4.23Å; V315-Y326 HydrophobicContact CG2-CD2 3.98Å; V315-Y326 HydrophobicContact CG2-CE2 3.98Å; L324-Y326 HydrophobicContact CB-CE2 3.59Å; L324-Y326 WeakPolarHBondContact CD1-OH 3.41Å; Y326-L337 HydrophobicContact CD1-CD1 4.23Å; Y326-L337 HydrophobicContact CD2-CD1 3.74Å; Y326-L337 HydrophobicContact CE2-CD1 4.45Å; Y326-L337 HydrophobicContact CG-CD1 3.6Å; Y326-R340 HydrophobicContact CD1-CB 4.27Å; Y326-R340 HydrophobicContact CE1-CB 4.16Å; Y326-I341 HydrophobicContact CD2-CG1 4.38Å; Y326-I341 HydrophobicContact CE1-CG1 4.49Å; Y326-I341 HydrophobicContact CE2-CD1 4.41Å; Y326-I341 HydrophobicContact CE2-CG1 3.61Å; Y326-I341 WeakPolarHBondContact OH-CA 3.47Å; Y326-D344 WeakPolarHBondContact CE1-OD2 3.46Å; Y326-D344 PolarHBondContact OH-OD2 3.18Å
327	A	93.9	Very high	93.4	Very high	30 Å²	30	39 Å²	39	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	129.7	160.9	0	0	0	0	0	108.6	L269 L310 K311 L312 R340	L269-A327 HydrophobicContact CD2-CB 4Å; L310-A327 HydrophobicContact CD2-CB 4.13Å; K311-A327 WeakPolarHBondContact O-CA 3.48Å; L312-A327 HydrophobicContact CD2-CB 3.72Å; A327-R340 PolarHBondContact O-NH1 2.96Å; A327-R340 PolarHBondContact O-NH2 3.45Å
328	I	94.3	Very high	93.5	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.087	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	154.8	-178.3	57.6	149.4	0	0	0	111.2	K311 V313 E332 A368 A372	K311-I328 HydrophobicContact CB-CD1 4.31Å; K311-I328 HydrophobicContact CB-CG1 3.89Å; K311-I328 VanDerWaalsContact O-CG1 3.3Å; K311-I328 WeakPolarHBondContact O-CG1 3.35Å; K311-I328 PolarHBondContact O-N 3.38Å; V313-I328 HydrophobicContact CG2-CD1 3.95Å; V313-I328 HydrophobicContact CG2-CG1 4.14Å; V313-I328 HydrophobicContact CG2-CG2 3.81Å; I328-E332 VanDerWaalsContact CA-OE2 3.31Å; I328-E332 WeakPolarHBondContact CA-OE2 3.32Å; I328-A368 HydrophobicContact CD1-CB 4.21Å; I328-A368 HydrophobicContact CG2-CB 4.22Å; I328-A372 HydrophobicContact CD1-CB 3.36Å; I328-A372 HydrophobicContact CG1-CB 3.96Å
329	S	91.9	Very high	93.7	Very high	54 Å²	54	43.7 Å²	43.7	38%	0.378	25%	0.245	S	C	.	.			trans	-95.6	162.9	169.3	49.3	0	0	0	0	111.2	D331 E332	S329-D331 WeakPolarHBondContact CB-OD1 3.44Å; S329-D331 PolarHBondContact O-N 3.11Å; S329-D331 PolarHBondContact OG-OD1 2.91Å; S329-E332 PolarHBondContact N-OE2 3.46Å; S329-E332 WeakPolarHBondContact O-CB 3.1Å; S329-E332 PolarHBondContact O-N 3.05Å
330	D	88.4	Confident	94.1	Very high	101 Å²	101	46 Å²	46	54%	0.54	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.2	-175.2	-74.4	-25	0	0	0	113.5	K311	K311-D330 WeakPolarHBondContact CD-OD1 3.5Å; K311-D330 WeakPolarHBondContact CE-OD1 3.49Å; K311-D330 IonicContact NZ-OD1 2.89Å; K311-D330 PolarHBondContact NZ-OD1 3.29Å; K311-D330 IonicContact NZ-OD2 3.53Å
331	D	93.1	Very high	94.5	Very high	124 Å²	124	45.3 Å²	45.3	66%	0.663	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.5	179.6	60.2	-52	0	0	0	113.8	S329 T333	S329-D331 WeakPolarHBondContact CB-OD1 3.44Å; S329-D331 PolarHBondContact O-N 3.11Å; S329-D331 PolarHBondContact OG-OD1 2.91Å; D331-T333 PolarHBondContact O-N 2.98Å
332	E	95.3	Very high	94.8	Very high	19 Å²	19	46.9 Å²	46.9	9%	0.089	25%	0.249	C	C	.	.			trans	-72.6	124.2	-178.9	-164.9	168.1	171.6	0	0	111.4	I328 S329 N336 R340 A368	I328-E332 VanDerWaalsContact CA-OE2 3.31Å; I328-E332 WeakPolarHBondContact CA-OE2 3.32Å; S329-E332 PolarHBondContact N-OE2 3.46Å; S329-E332 WeakPolarHBondContact O-CB 3.1Å; S329-E332 PolarHBondContact O-N 3.05Å; E332-N336 HydrophobicContact CG-CB 3.84Å; E332-R340 WeakPolarHBondContact OE1-CD 3.14Å; E332-R340 IonicContact OE1-CZ 3.87Å; E332-R340 IonicContact OE1-NE 4Å; E332-R340 IonicContact OE1-NH1 2.91Å; E332-R340 PolarHBondContact OE1-NH1 3.48Å; E332-R340 IonicContact OE2-NH1 2.96Å; E332-R340 PolarHBondContact OE2-NH1 3.12Å; E332-A368 WeakPolarHBondContact O-CB 3.44Å; E332-A368 PolarHBondContact O-N 2.84Å
333	T	96.8	Very high	95.1	Very high	38 Å²	38	49.8 Å²	49.8	23%	0.233	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-83.4	161.5	175.9	62.4	0	0	0	0	111.9	D331 A335 N336 L337 A366	D331-T333 PolarHBondContact O-N 2.98Å; T333-A335 PolarHBondContact O-N 3.17Å; T333-N336 PolarHBondContact O-N 3.13Å; T333-N336 PolarHBondContact OG1-N 3.36Å; T333-L337 PolarHBondContact O-N 2.89Å; T333-L337 VanDerWaalsContact O-N 3.12Å; T333-A366 CarbonylContact C-O 3.55Å; T333-A366 WeakPolarHBondContact CA-O 3.22Å
334	V	96.6	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-36.9	172.8	174.5	0	0	0	0	111.2	N336 L337 Q338 L354 L362 E363 A366	V334-N336 PolarHBondContact O-N 2.78Å; V334-L337 WeakPolarHBondContact O-CB 3.3Å; V334-L337 PolarHBondContact O-N 3.25Å; V334-Q338 HydrophobicContact CG1-CG 4.35Å; V334-Q338 WeakPolarHBondContact O-CG 3.32Å; V334-Q338 PolarHBondContact O-N 3.47Å; V334-L354 HydrophobicContact CG1-CD1 3.93Å; V334-L362 HydrophobicContact CG1-CB 4.06Å; V334-L362 HydrophobicContact CG2-CB 4.22Å; V334-E363 WeakPolarHBondContact CB-O 3.32Å; V334-A366 HydrophobicContact CG2-CB 4.3Å; V334-A366 PolarHBondContact N-O 3.43Å
335	A	96.8	Very high	95.3	Very high	33 Å²	33	51.3 Å²	51.3	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-42.5	175	0	0	0	0	0	112.9	T333 L337 Q338 L339 P364	T333-A335 PolarHBondContact O-N 3.17Å; A335-L337 VanDerWaalsContact C-N 3.33Å; A335-L337 PolarHBondContact O-N 3.08Å; A335-Q338 PolarHBondContact O-N 2.82Å; A335-L339 PolarHBondContact O-N 3.14Å; A335-P364 HydrophobicContact CB-CB 4.15Å; A335-P364 WeakPolarHBondContact CB-O 3.13Å; A335-P364 PolarHBondContact N-O 2.88Å
336	N	96.8	Very high	95.3	Very high	80 Å²	80	56.6 Å²	56.6	43%	0.428	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-39.8	175.8	-70	-15.8	0	0	0	111.4	E332 T333 V334 L339 R340	E332-N336 HydrophobicContact CG-CB 3.84Å; T333-N336 PolarHBondContact O-N 3.13Å; T333-N336 PolarHBondContact OG1-N 3.36Å; V334-N336 PolarHBondContact O-N 2.78Å; N336-L339 PolarHBondContact O-N 2.82Å; N336-R340 PolarHBondContact O-N 2.99Å
337	L	96.9	Very high	95.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-43.1	174.4	176.8	63	0	0	0	111.6	V313 Y326 T333 V334 A335 L339 R340 I341 A368	V313-L337 HydrophobicContact CB-CD2 4.37Å; V313-L337 HydrophobicContact CG1-CD2 4.01Å; V313-L337 HydrophobicContact CG2-CD2 4.43Å; Y326-L337 HydrophobicContact CD1-CD1 4.23Å; Y326-L337 HydrophobicContact CD2-CD1 3.74Å; Y326-L337 HydrophobicContact CE2-CD1 4.45Å; Y326-L337 HydrophobicContact CG-CD1 3.6Å; T333-L337 PolarHBondContact O-N 2.89Å; T333-L337 VanDerWaalsContact O-N 3.12Å; V334-L337 WeakPolarHBondContact O-CB 3.3Å; V334-L337 PolarHBondContact O-N 3.25Å; A335-L337 VanDerWaalsContact C-N 3.33Å; A335-L337 PolarHBondContact O-N 3.08Å; L337-L339 VanDerWaalsContact C-N 3.29Å; L337-L339 PolarHBondContact O-N 2.9Å; L337-R340 WeakPolarHBondContact O-CB 3.34Å; L337-R340 PolarHBondContact O-N 2.87Å; L337-I341 HydrophobicContact CD1-CD1 4.28Å; L337-I341 HydrophobicContact CD1-CG1 4.34Å; L337-I341 HydrophobicContact CD2-CD1 4.4Å; L337-I341 HydrophobicContact CG-CD1 3.85Å; L337-I341 HydrophobicContact CG-CG1 4.37Å; L337-I341 WeakPolarHBondContact O-CG1 3.46Å; L337-I341 PolarHBondContact O-N 3.17Å; L337-A368 HydrophobicContact CB-CB 4.45Å; L337-A368 HydrophobicContact CD2-CB 4.26Å
338	Q	97.7	Very high	95.5	Very high	16 Å²	16	58 Å²	58	8%	0.075	31%	0.306	C	S	.	.	H	α-helix	trans	-58.3	-39	177	-73.7	173.5	-55.2	0	0	112.1	V334 A335 R340 I341 E342 A349 Q352 L354	V334-Q338 HydrophobicContact CG1-CG 4.35Å; V334-Q338 WeakPolarHBondContact O-CG 3.32Å; V334-Q338 PolarHBondContact O-N 3.47Å; A335-Q338 PolarHBondContact O-N 2.82Å; Q338-R340 VanDerWaalsContact C-N 3.28Å; Q338-R340 PolarHBondContact O-N 3.33Å; Q338-I341 PolarHBondContact O-N 3.25Å; Q338-E342 WeakPolarHBondContact O-CB 3.33Å; Q338-E342 PolarHBondContact O-N 2.8Å; Q338-A349 HydrophobicContact CB-CB 3.99Å; Q338-Q352 VanDerWaalsContact CA-OE1 3.26Å; Q338-Q352 HydrophobicContact CG-CB 4.49Å; Q338-Q352 PolarHBondContact NE2-O 3.38Å; Q338-Q352 PolarHBondContact O-NE2 2.89Å; Q338-Q352 PolarHBondContact O-OE1 3.25Å; Q338-L354 HydrophobicContact CG-CD1 3.78Å
339	L	97.4	Very high	95.5	Very high	95 Å²	95	58.2 Å²	58.2	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-30.1	174.9	-67.3	173.6	0	0	0	113.3	A335 N336 L337 A349	A335-L339 PolarHBondContact O-N 3.14Å; N336-L339 PolarHBondContact O-N 2.82Å; L337-L339 VanDerWaalsContact C-N 3.29Å; L337-L339 PolarHBondContact O-N 2.9Å; L339-A349 HydrophobicContact CD2-CB 4.27Å
340	R	97.3	Very high	95.7	Very high	77 Å²	77	60.3 Å²	60.3	29%	0.291	33%	0.332	S	S	.	.	H	α-helix	trans	-76.4	-42.8	174.2	-65.6	168.8	60.4	-175.1	1	110.7	Y326 A327 E332 N336 L337 Q338 E342 K343 D344	Y326-R340 HydrophobicContact CD1-CB 4.27Å; Y326-R340 HydrophobicContact CE1-CB 4.16Å; A327-R340 PolarHBondContact O-NH1 2.96Å; A327-R340 PolarHBondContact O-NH2 3.45Å; E332-R340 WeakPolarHBondContact OE1-CD 3.14Å; E332-R340 IonicContact OE1-CZ 3.87Å; E332-R340 IonicContact OE1-NE 4Å; E332-R340 IonicContact OE1-NH1 2.91Å; E332-R340 PolarHBondContact OE1-NH1 3.48Å; E332-R340 IonicContact OE2-NH1 2.96Å; E332-R340 PolarHBondContact OE2-NH1 3.12Å; N336-R340 PolarHBondContact O-N 2.99Å; L337-R340 WeakPolarHBondContact O-CB 3.34Å; L337-R340 PolarHBondContact O-N 2.87Å; Q338-R340 VanDerWaalsContact C-N 3.28Å; Q338-R340 PolarHBondContact O-N 3.33Å; R340-E342 PolarHBondContact O-N 3.13Å; R340-K343 WeakPolarHBondContact O-CB 3.31Å; R340-K343 PolarHBondContact O-N 3.19Å; R340-K343 VanDerWaalsContact O-N 3.13Å; R340-D344 PolarHBondContact O-N 3.44Å
341	I	97.2	Very high	96	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-38.8	174.4	-67	167.5	0	0	0	111	V315 Y326 L337 Q338 K343 D344 T345 L354 L390	V315-I341 HydrophobicContact CG1-CD1 4.26Å; V315-I341 HydrophobicContact CG2-CD1 4.09Å; Y326-I341 HydrophobicContact CD2-CG1 4.38Å; Y326-I341 HydrophobicContact CE1-CG1 4.49Å; Y326-I341 HydrophobicContact CE2-CD1 4.41Å; Y326-I341 HydrophobicContact CE2-CG1 3.61Å; Y326-I341 WeakPolarHBondContact OH-CA 3.47Å; L337-I341 HydrophobicContact CD1-CD1 4.28Å; L337-I341 HydrophobicContact CD1-CG1 4.34Å; L337-I341 HydrophobicContact CD2-CD1 4.4Å; L337-I341 HydrophobicContact CG-CD1 3.85Å; L337-I341 HydrophobicContact CG-CG1 4.37Å; L337-I341 WeakPolarHBondContact O-CG1 3.46Å; L337-I341 PolarHBondContact O-N 3.17Å; Q338-I341 PolarHBondContact O-N 3.25Å; I341-K343 VanDerWaalsContact C-N 3.28Å; I341-K343 PolarHBondContact O-N 2.89Å; I341-D344 PolarHBondContact O-N 3.24Å; I341-D344 VanDerWaalsContact O-N 3.16Å; I341-T345 HydrophobicContact CG2-CG2 3.93Å; I341-T345 WeakPolarHBondContact O-CB 3.29Å; I341-T345 WeakPolarHBondContact O-CG2 3.36Å; I341-T345 PolarHBondContact O-N 3.46Å; I341-T345 PolarHBondContact O-OG1 3.37Å; I341-L354 HydrophobicContact CD1-CD1 4.1Å; I341-L354 HydrophobicContact CD1-CD2 4.01Å; I341-L390 HydrophobicContact CG2-CD1 4.35Å; I341-L390 HydrophobicContact CG2-CD2 3.49Å; I341-L390 VanDerWaalsContact CG2-CD2 3.49Å
342	E	97.4	Very high	96.1	Very high	68 Å²	68	52.6 Å²	52.6	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-58.1	-40.8	177.3	-179.8	169	173.1	0	0	111.7	Q338 R340 D344 T345 N346 I347 A349	Q338-E342 WeakPolarHBondContact O-CB 3.33Å; Q338-E342 PolarHBondContact O-N 2.8Å; R340-E342 PolarHBondContact O-N 3.13Å; E342-D344 VanDerWaalsContact C-N 3.31Å; E342-D344 PolarHBondContact O-N 3Å; E342-T345 PolarHBondContact O-N 2.99Å; E342-N346 WeakPolarHBondContact O-CA 3.46Å; E342-N346 PolarHBondContact O-N 3.49Å; E342-I347 WeakPolarHBondContact CA-O 3.46Å; E342-I347 WeakPolarHBondContact CB-O 3.47Å; E342-I347 WeakPolarHBondContact CG-O 3.17Å; E342-A349 PolarHBondContact OE2-N 2.95Å
343	K	96.4	Very high	96.1	Very high	167 Å²	167	52.3 Å²	52.3	73%	0.726	29%	0.289	S	S	*	.	H	α-helix	trans	-65.1	-34.4	178.5	-64.9	175.4	-176	177.1	0	113	R340 I341	R340-K343 WeakPolarHBondContact O-CB 3.31Å; R340-K343 PolarHBondContact O-N 3.19Å; R340-K343 VanDerWaalsContact O-N 3.13Å; I341-K343 VanDerWaalsContact C-N 3.28Å; I341-K343 PolarHBondContact O-N 2.89Å
344	D	94.8	Very high	96.1	Very high	101 Å²	101	50.6 Å²	50.6	54%	0.54	28%	0.278	S	S	.	.	H	α-helix	trans	-89.7	-21.7	-176.5	-70.5	-13.9	0	0	0	112.9	L324 Y326 R340 I341 E342	L324-D344 HydrophobicContact CD1-CB 4.34Å; Y326-D344 WeakPolarHBondContact CE1-OD2 3.46Å; Y326-D344 PolarHBondContact OH-OD2 3.18Å; R340-D344 PolarHBondContact O-N 3.44Å; I341-D344 PolarHBondContact O-N 3.24Å; I341-D344 VanDerWaalsContact O-N 3.16Å; E342-D344 VanDerWaalsContact C-N 3.31Å; E342-D344 PolarHBondContact O-N 3Å
345	T	93.8	Very high	96.1	Very high	23 Å²	23	50.7 Å²	50.7	14%	0.141	28%	0.278	C	S	.	.	H	α-helix	trans	-115.1	-19.6	-174.5	63	0	0	0	0	114.6	N317 L324 I341 E342 I347 L390	N317-T345 WeakPolarHBondContact ND2-CG2 3.41Å; L324-T345 HydrophobicContact CD1-CG2 3.35Å; I341-T345 HydrophobicContact CG2-CG2 3.93Å; I341-T345 WeakPolarHBondContact O-CB 3.29Å; I341-T345 WeakPolarHBondContact O-CG2 3.36Å; I341-T345 PolarHBondContact O-N 3.46Å; I341-T345 PolarHBondContact O-OG1 3.37Å; E342-T345 PolarHBondContact O-N 2.99Å; T345-I347 PolarHBondContact O-N 2.98Å; T345-I347 PolarHBondContact OG1-N 2.79Å; T345-L390 HydrophobicContact CG2-CD2 3.84Å
346	N	94.1	Very high	96	Very high	140 Å²	140	51.3 Å²	51.3	75%	0.749	28%	0.277	S	S	*	.			trans	59.4	17.5	-167.1	-53	-66.1	0	0	0	114.4	E342 P348	E342-N346 WeakPolarHBondContact O-CA 3.46Å; E342-N346 PolarHBondContact O-N 3.49Å; N346-P348 WeakPolarHBondContact O-CD 3.39Å
347	I	94.9	Very high	95.8	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.051	28%	0.277	C	S	.	.			trans	-88.4	117.9	172.2	-57.9	167.3	0	0	0	107.3	M319 E342 T345 N351 Q352 L390 D392	M319-I347 HydrophobicContact CG-CD1 4.41Å; E342-I347 WeakPolarHBondContact CA-O 3.46Å; E342-I347 WeakPolarHBondContact CB-O 3.47Å; E342-I347 WeakPolarHBondContact CG-O 3.17Å; T345-I347 PolarHBondContact O-N 2.98Å; T345-I347 PolarHBondContact OG1-N 2.79Å; I347-N351 HydrophobicContact CG2-CB 4.18Å; I347-Q352 HydrophobicContact CB-CG 4.1Å; I347-Q352 HydrophobicContact CG2-CG 3.66Å; I347-Q352 PolarHBondContact O-NE2 2.78Å; I347-L390 HydrophobicContact CD1-CD2 4.07Å; I347-L390 HydrophobicContact CD1-CG 4.34Å; I347-D392 HydrophobicContact CD1-CB 4.11Å; I347-D392 HydrophobicContact CG1-CB 4.43Å; I347-D392 HydrophobicContact CG2-CB 4.17Å
348	P	96.8	Very high	95.5	Very high	54 Å²	54	54.4 Å²	54.4	35%	0.351	30%	0.298	S	S	.	.			trans	-56.7	140.4	179.7	-25.5	34.6	0	0	0	112	N346 A350 N351 Q352	N346-P348 WeakPolarHBondContact O-CD 3.39Å; P348-A350 PolarHBondContact O-N 3.39Å; P348-N351 WeakPolarHBondContact O-CA 3.39Å; P348-N351 PolarHBondContact O-N 3.35Å; P348-Q352 WeakPolarHBondContact O-CG 3.27Å; P348-Q352 PolarHBondContact O-N 3.19Å
349	A	95.9	Very high	95.3	Very high	23 Å²	23	53.7 Å²	53.7	19%	0.19	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-51	-37.1	-178	0	0	0	0	0	114	Q338 L339 E342 N351 Q352	Q338-A349 HydrophobicContact CB-CB 3.99Å; L339-A349 HydrophobicContact CD2-CB 4.27Å; E342-A349 PolarHBondContact OE2-N 2.95Å; A349-N351 PolarHBondContact O-N 3.26Å; A349-Q352 PolarHBondContact O-N 3.46Å
350	A	94.3	Very high	95.1	Very high	98 Å²	98	53 Å²	53	81%	0.81	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-65.6	-22.8	176.8	0	0	0	0	0	114.3	P348	P348-A350 PolarHBondContact O-N 3.39Å
351	N	94.9	Very high	94.9	Very high	52 Å²	52	51.9 Å²	51.9	28%	0.278	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-99.2	-5	179.6	-62.3	-10.3	0	0	0	112.3	I347 P348 A349 E353 C393 S394	I347-N351 HydrophobicContact CG2-CB 4.18Å; P348-N351 WeakPolarHBondContact O-CA 3.39Å; P348-N351 PolarHBondContact O-N 3.35Å; A349-N351 PolarHBondContact O-N 3.26Å; N351-E353 PolarHBondContact O-N 3.45Å; N351-C393 WeakPolarHBondContact O-CB 3.07Å; N351-C393 PolarHBondContact O-N 2.9Å; N351-S394 WeakPolarHBondContact ND2-CB 3.34Å
352	Q	96.4	Very high	94.8	Very high	11 Å²	11	52.4 Å²	52.4	5%	0.051	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	114.5	-179.8	-66.4	177.3	26.4	0	0	110.6	Q338 I347 P348 A349 L390	Q338-Q352 VanDerWaalsContact CA-OE1 3.26Å; Q338-Q352 HydrophobicContact CG-CB 4.49Å; Q338-Q352 PolarHBondContact NE2-O 3.38Å; Q338-Q352 PolarHBondContact O-NE2 2.89Å; Q338-Q352 PolarHBondContact O-OE1 3.25Å; I347-Q352 HydrophobicContact CB-CG 4.1Å; I347-Q352 HydrophobicContact CG2-CG 3.66Å; I347-Q352 PolarHBondContact O-NE2 2.78Å; P348-Q352 WeakPolarHBondContact O-CG 3.27Å; P348-Q352 PolarHBondContact O-N 3.19Å; A349-Q352 PolarHBondContact O-N 3.46Å; Q352-L390 HydrophobicContact CB-CD1 3.77Å; Q352-L390 HydrophobicContact CG-CD1 3.84Å
353	E	95.3	Very high	94.6	Very high	13 Å²	13	55 Å²	55	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.2	165	-178.8	177.7	-135.8	0	0	109.9	N351 L355 V361 L390 F391 C393 R617	N351-E353 PolarHBondContact O-N 3.45Å; E353-L355 HydrophobicContact CG-CD2 3.75Å; E353-L355 HydrophobicContact CG-CG 3.97Å; E353-V361 HydrophobicContact CG-CG2 4.38Å; E353-V361 WeakPolarHBondContact OE1-CG2 3.5Å; E353-L390 WeakPolarHBondContact O-CA 3.5Å; E353-F391 HydrophobicContact CB-CB 4.38Å; E353-F391 PolarHBondContact N-O 2.99Å; E353-F391 PolarHBondContact O-N 3.49Å; E353-C393 VanDerWaalsContact CB-SG 3.52Å; E353-R617 VanDerWaalsContact CD-NH1 3.33Å; E353-R617 IonicContact OE1-CZ 3.3Å; E353-R617 IonicContact OE1-NH1 2.97Å; E353-R617 PolarHBondContact OE1-NH1 2.74Å; E353-R617 IonicContact OE1-NH2 2.63Å; E353-R617 PolarHBondContact OE1-NH2 3.33Å; E353-R617 IonicContact OE2-CZ 2.81Å; E353-R617 IonicContact OE2-NE 2.64Å; E353-R617 PolarHBondContact OE2-NE 2.47Å; E353-R617 IonicContact OE2-NH1 3.7Å; E353-R617 PolarHBondContact OE2-NH1 3.3Å; E353-R617 IonicContact OE2-NH2 2.75Å; E353-R617 PolarHBondContact OE2-NH2 2.71Å
354	L	97.2	Very high	94.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	110.3	177.3	-62.4	-179.8	0	0	0	109.1	V315 V334 Q338 I341 V361 L362 V388 F389 L390	V315-L354 HydrophobicContact CG1-CD2 4.29Å; V334-L354 HydrophobicContact CG1-CD1 3.93Å; Q338-L354 HydrophobicContact CG-CD1 3.78Å; I341-L354 HydrophobicContact CD1-CD1 4.1Å; I341-L354 HydrophobicContact CD1-CD2 4.01Å; L354-V361 WeakPolarHBondContact O-CA 3.43Å; L354-L362 HydrophobicContact CB-CB 4.12Å; L354-L362 HydrophobicContact CB-CD1 4.22Å; L354-L362 PolarHBondContact O-N 3.19Å; L354-V388 HydrophobicContact CB-CG1 3.79Å; L354-V388 HydrophobicContact CD2-CG1 4.07Å; L354-V388 HydrophobicContact CG-CG1 4.38Å; L354-F389 WeakPolarHBondContact CA-O 3.49Å; L354-L390 HydrophobicContact CD2-CB 3.9Å; L354-L390 HydrophobicContact CD2-CD1 3.64Å; L354-L390 HydrophobicContact CD2-CG 4.34Å
355	L	96.3	Very high	94.4	Very high	1 Å²	1	52 Å²	52	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.4	179.8	-61.8	-175.3	0	0	0	111.9	E353 L360 V361 F389 F391 A454	E353-L355 HydrophobicContact CG-CD2 3.75Å; E353-L355 HydrophobicContact CG-CG 3.97Å; L355-L360 CarbonylContact C-O 3.59Å; L355-L360 WeakPolarHBondContact CA-O 3.31Å; L355-V361 HydrophobicContact CD2-CB 4.36Å; L355-V361 HydrophobicContact CD2-CG2 3.63Å; L355-F389 HydrophobicContact CB-CB 4.43Å; L355-F389 PolarHBondContact N-O 2.89Å; L355-F389 WeakPolarHBondContact O-CD2 3.48Å; L355-F389 PolarHBondContact O-N 3.16Å; L355-F391 HydrophobicContact CB-CE2 4.16Å; L355-F391 HydrophobicContact CD1-CD2 3.86Å; L355-F391 HydrophobicContact CD1-CE2 3.61Å; L355-F391 HydrophobicContact CD1-CZ 4.46Å; L355-F391 HydrophobicContact CG-CD2 4.02Å; L355-F391 HydrophobicContact CG-CE2 4.01Å; L355-A454 HydrophobicContact CB-CB 4.39Å
356	L	94.8	Very high	94.4	Very high	46 Å²	46	51.9 Å²	51.9	24%	0.241	30%	0.303	C	S	.	.			trans	-82.1	167.5	163.4	-61.5	177.9	0	0	0	110.7	A358 G359 L360 L362 T386 V388 A454	L356-A358 PolarHBondContact O-N 3.07Å; L356-A358 VanDerWaalsContact O-N 3.08Å; L356-G359 WeakPolarHBondContact O-CA 3.34Å; L356-G359 PolarHBondContact O-N 3.42Å; L356-L360 PolarHBondContact N-O 3.46Å; L356-L362 HydrophobicContact CD1-CD2 4.02Å; L356-L362 HydrophobicContact CD2-CD1 4.19Å; L356-L362 HydrophobicContact CD2-CD2 3.99Å; L356-L362 HydrophobicContact CD2-CG 4.1Å; L356-L362 HydrophobicContact CG-CD2 4.04Å; L356-L362 HydrophobicContact CG-CG 4.15Å; L356-T386 HydrophobicContact CD2-CG2 4.47Å; L356-V388 HydrophobicContact CD2-CG2 4.24Å; L356-A454 WeakPolarHBondContact O-CB 3.49Å
357	E	91.2	Very high	94.4	Very high	93 Å²	93	48.6 Å²	48.6	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.8	179.1	-68.1	179.8	-174.6	0	0	114.1	G359 F389	E357-G359 PolarHBondContact O-N 3Å; E357-F389 HydrophobicContact CB-CE2 4.43Å; E357-F389 HydrophobicContact CG-CE2 3.79Å; E357-F389 HydrophobicContact CG-CZ 4.2Å
358	A	91.3	Very high	94.3	Very high	53 Å²	53	48.1 Å²	48.1	44%	0.438	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	7	176.3	0	0	0	0	0	114.1	L356 L360 R461	L356-A358 PolarHBondContact O-N 3.07Å; L356-A358 VanDerWaalsContact O-N 3.08Å; A358-L360 HydrophobicContact CB-CD1 4.16Å; A358-L360 HydrophobicContact CB-CG 4.38Å; A358-L360 PolarHBondContact O-N 2.89Å; A358-R461 PolarHBondContact O-NH2 2.84Å
359	G	92.8	Very high	93.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	65.9	25.1	-174.6	0	0	0	0	0	113.4	L356 E357 A454 R461	L356-G359 WeakPolarHBondContact O-CA 3.34Å; L356-G359 PolarHBondContact O-N 3.42Å; E357-G359 PolarHBondContact O-N 3Å; G359-A454 VanDerWaalsContact CA-O 3.24Å; G359-A454 WeakPolarHBondContact CA-O 3.3Å; G359-R461 PolarHBondContact O-NH1 2.93Å
360	L	93.8	Very high	93.4	Very high	81 Å²	81	52.7 Å²	52.7	42%	0.424	30%	0.3	S	S	.	.			trans	-87.9	136.8	173.6	-71.4	163.5	0	0	0	109.3	L355 L356 A358 R461	L355-L360 CarbonylContact C-O 3.59Å; L355-L360 WeakPolarHBondContact CA-O 3.31Å; L356-L360 PolarHBondContact N-O 3.46Å; A358-L360 HydrophobicContact CB-CD1 4.16Å; A358-L360 HydrophobicContact CB-CG 4.38Å; A358-L360 PolarHBondContact O-N 2.89Å; L360-R461 VanDerWaalsContact CD2-CZ 3.45Å; L360-R461 VanDerWaalsContact CD2-NH1 3.3Å
361	V	94.2	Very high	93	Very high	54 Å²	54	48.1 Å²	48.1	33%	0.327	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-76.5	138.3	175.7	-177.5	0	0	0	0	109	E353 L354 L355 E363	E353-V361 HydrophobicContact CG-CG2 4.38Å; E353-V361 WeakPolarHBondContact OE1-CG2 3.5Å; L354-V361 WeakPolarHBondContact O-CA 3.43Å; L355-V361 HydrophobicContact CD2-CB 4.36Å; L355-V361 HydrophobicContact CD2-CG2 3.63Å; V361-E363 PolarHBondContact O-N 2.75Å
362	L	93.8	Very high	92.7	Very high	11 Å²	11	46.6 Å²	46.6	6%	0.058	26%	0.256	C	S	.	.			trans	-79.2	113.2	167.9	-75.7	176	0	0	0	109.6	V334 L354 L356 V388	V334-L362 HydrophobicContact CG1-CB 4.06Å; V334-L362 HydrophobicContact CG2-CB 4.22Å; L354-L362 HydrophobicContact CB-CB 4.12Å; L354-L362 HydrophobicContact CB-CD1 4.22Å; L354-L362 PolarHBondContact O-N 3.19Å; L356-L362 HydrophobicContact CD1-CD2 4.02Å; L356-L362 HydrophobicContact CD2-CD1 4.19Å; L356-L362 HydrophobicContact CD2-CD2 3.99Å; L356-L362 HydrophobicContact CD2-CG 4.1Å; L356-L362 HydrophobicContact CG-CD2 4.04Å; L356-L362 HydrophobicContact CG-CG 4.15Å; L362-V388 HydrophobicContact CD1-CB 4.5Å; L362-V388 HydrophobicContact CD1-CG1 3.75Å; L362-V388 HydrophobicContact CD1-CG2 3.85Å
363	E	93.6	Very high	92.1	Very high	122 Å²	122	46.6 Å²	46.6	57%	0.57	26%	0.257	S	S	*	.			trans	-66.2	135.1	-179.5	-65.4	-58.3	149	0	0	111.5	V334 V361 N365 A366	V334-E363 WeakPolarHBondContact CB-O 3.32Å; V361-E363 PolarHBondContact O-N 2.75Å; E363-N365 PolarHBondContact O-N 2.88Å; E363-N365 VanDerWaalsContact O-N 3.09Å; E363-A366 HydrophobicContact CB-CB 4.31Å; E363-A366 VanDerWaalsContact O-CB 3.32Å; E363-A366 WeakPolarHBondContact O-CB 3.4Å; E363-A366 PolarHBondContact O-N 3.16Å
364	P	92.7	Very high	91.5	Very high	51 Å²	51	47.9 Å²	47.9	33%	0.331	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.1	-177.1	-28.1	35.1	0	0	0	114.7	A335	A335-P364 HydrophobicContact CB-CB 4.15Å; A335-P364 WeakPolarHBondContact CB-O 3.13Å; A335-P364 PolarHBondContact N-O 2.88Å
365	N	93.6	Very high	90.5	Very high	153 Å²	153	48.1 Å²	48.1	82%	0.818	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.2	-179.3	-64.3	-22.9	0	0	0	113.4	E363	E363-N365 PolarHBondContact O-N 2.88Å; E363-N365 VanDerWaalsContact O-N 3.09Å
366	A	93.9	Very high	89.6	Confident	21 Å²	21	52.2 Å²	52.2	17%	0.174	29%	0.286	C	S	.	.	S	Bend	trans	-72.4	158.5	176.4	0	0	0	0	0	111	T333 V334 E363	T333-A366 CarbonylContact C-O 3.55Å; T333-A366 WeakPolarHBondContact CA-O 3.22Å; V334-A366 HydrophobicContact CG2-CB 4.3Å; V334-A366 PolarHBondContact N-O 3.43Å; E363-A366 HydrophobicContact CB-CB 4.31Å; E363-A366 VanDerWaalsContact O-CB 3.32Å; E363-A366 WeakPolarHBondContact O-CB 3.4Å; E363-A366 PolarHBondContact O-N 3.16Å
367	L	94.6	Very high	88.6	Confident	71 Å²	71	57.8 Å²	57.8	37%	0.372	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-75	132.5	173.5	-64.6	174	0	0	0	109.8	S369 Q370	L367-S369 WeakPolarHBondContact CB-OG 3.45Å; L367-S369 PolarHBondContact O-N 3.33Å; L367-Q370 HydrophobicContact CB-CG 4.47Å; L367-Q370 WeakPolarHBondContact O-CB 3.43Å; L367-Q370 WeakPolarHBondContact O-CG 3.49Å; L367-Q370 PolarHBondContact O-N 3.16Å
368	A	92.6	Very high	87.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-63.8	-22	176.3	0	0	0	0	0	112.1	I328 E332 L337 Q370 S371	I328-A368 HydrophobicContact CD1-CB 4.21Å; I328-A368 HydrophobicContact CG2-CB 4.22Å; E332-A368 WeakPolarHBondContact O-CB 3.44Å; E332-A368 PolarHBondContact O-N 2.84Å; L337-A368 HydrophobicContact CB-CB 4.45Å; L337-A368 HydrophobicContact CD2-CB 4.26Å; A368-Q370 PolarHBondContact O-N 3.49Å; A368-S371 PolarHBondContact O-N 3.01Å; A368-S371 VanDerWaalsContact O-N 3.15Å; A368-S371 PolarHBondContact O-OG 3.47Å; A368-S371 VanDerWaalsContact O-OG 3.13Å
369	S	88.3	Confident	86.2	Confident	36 Å²	36	53.8 Å²	53.8	25%	0.252	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-61.5	-20.5	176.4	57.1	0	0	0	0	114.5	L367 S371 A372	L367-S369 WeakPolarHBondContact CB-OG 3.45Å; L367-S369 PolarHBondContact O-N 3.33Å; S369-S371 PolarHBondContact O-N 2.85Å; S369-A372 PolarHBondContact O-N 2.93Å
370	Q	86.4	Confident	84.4	Confident	137 Å²	137	55.6 Å²	55.6	64%	0.64	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-65.6	-24.9	175.6	-62.5	177.8	4.5	0	0	113.2	L367 A368	L367-Q370 HydrophobicContact CB-CG 4.47Å; L367-Q370 WeakPolarHBondContact O-CB 3.43Å; L367-Q370 WeakPolarHBondContact O-CG 3.49Å; L367-Q370 PolarHBondContact O-N 3.16Å; A368-Q370 PolarHBondContact O-N 3.49Å
371	S	86.2	Confident	82.3	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.021	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-110.2	7.9	179.2	61.9	0	0	0	0	113.2	A368 S369	A368-S371 PolarHBondContact O-N 3.01Å; A368-S371 VanDerWaalsContact O-N 3.15Å; A368-S371 PolarHBondContact O-OG 3.47Å; A368-S371 VanDerWaalsContact O-OG 3.13Å; S369-S371 PolarHBondContact O-N 2.85Å
372	A	87.5	Confident	80.2	Confident	19 Å²	19	65.6 Å²	65.6	16%	0.157	33%	0.33	C	S	.	.			trans	-90.2	146	-179.3	0	0	0	0	0	112.6	K311 L312 V313 I328 S369	K311-A372 HydrophobicContact CB-CB 4.16Å; L312-A372 CarbonylContact O-C 3.58Å; L312-A372 WeakPolarHBondContact O-CA 3.44Å; V313-A372 HydrophobicContact CG2-CB 3.77Å; I328-A372 HydrophobicContact CD1-CB 3.36Å; I328-A372 HydrophobicContact CG1-CB 3.96Å; S369-A372 PolarHBondContact O-N 2.93Å
373	V	84.2	Confident	78.1	Confident	11 Å²	11	70 Å²	70	7%	0.067	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.8	167.1	-175.8	0	0	0	0	108.2	K311 L312 Y375 V378 Y385	K311-V373 WeakPolarHBondContact CA-O 2.99Å; L312-V373 PolarHBondContact N-O 3.26Å; L312-V373 VanDerWaalsContact N-O 3.13Å; L312-V373 PolarHBondContact O-N 3.04Å; V373-Y375 HydrophobicContact CB-CE1 4.42Å; V373-Y375 HydrophobicContact CG1-CD1 3.75Å; V373-Y375 HydrophobicContact CG1-CE1 3.6Å; V373-Y375 HydrophobicContact CG1-CG 4.42Å; V373-V378 HydrophobicContact CG1-CG2 4.05Å; V373-Y385 HydrophobicContact CB-CD1 4.28Å; V373-Y385 HydrophobicContact CG1-CD1 3.53Å; V373-Y385 HydrophobicContact CG1-CE1 3.87Å; V373-Y385 HydrophobicContact CG2-CD1 3.71Å; V373-Y385 HydrophobicContact CG2-CG 3.94Å
374	D	83.6	Confident	76.4	Confident	41 Å²	41	69.4 Å²	69.4	22%	0.219	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	107.5	166.1	-168.9	-28.6	0	0	0	109.7	K311 M376 E377 V378	K311-D374 VanDerWaalsContact CE-OD2 3.26Å; K311-D374 WeakPolarHBondContact CE-OD2 3.23Å; K311-D374 IonicContact NZ-OD2 2.73Å; D374-M376 PolarHBondContact O-N 3.23Å; D374-M376 VanDerWaalsContact OD1-CB 3.3Å; D374-M376 WeakPolarHBondContact OD1-CB 3.48Å; D374-M376 PolarHBondContact OD1-N 3.17Å; D374-E377 HydrophobicContact CB-CB 4.48Å; D374-E377 HydrophobicContact CB-CG 4.31Å; D374-E377 PolarHBondContact O-N 3.17Å; D374-E377 VanDerWaalsContact O-N 3.08Å; D374-V378 PolarHBondContact O-N 3.11Å
375	Y	75.2	Confident	75.3	Confident	6 Å²	6	69.7 Å²	69.7	2%	0.024	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.3	-177.6	-65.5	-62.1	0	0	0	114.2	E120 L124 N267 L270 L310 L312 V373 E377 V378 Y385	E120-Y375 PolarHBondContact OE1-OH 3.44Å; L124-Y375 HydrophobicContact CD1-CD1 3.11Å; L124-Y375 HydrophobicContact CD1-CD2 3.97Å; L124-Y375 HydrophobicContact CD1-CE1 3.4Å; L124-Y375 VanDerWaalsContact CD1-CE1 3.4Å; L124-Y375 HydrophobicContact CD1-CE2 4.18Å; L124-Y375 HydrophobicContact CD1-CG 3.42Å; L124-Y375 VanDerWaalsContact CD1-CG 3.42Å; N267-Y375 PolarHBondContact ND2-OH 3.2Å; N267-Y375 VanDerWaalsContact ND2-OH 3.14Å; L270-Y375 HydrophobicContact CD1-CE2 4.15Å; L310-Y375 WeakPolarHBondContact O-CD2 3.38Å; L312-Y375 HydrophobicContact CB-CE2 4.24Å; L312-Y375 HydrophobicContact CD1-CE2 3.53Å; L312-Y375 WeakPolarHBondContact CD1-OH 3.34Å; L312-Y375 HydrophobicContact CG-CE2 3.65Å; V373-Y375 HydrophobicContact CB-CE1 4.42Å; V373-Y375 HydrophobicContact CG1-CD1 3.75Å; V373-Y375 HydrophobicContact CG1-CE1 3.6Å; V373-Y375 HydrophobicContact CG1-CG 4.42Å; Y375-E377 VanDerWaalsContact C-N 3.27Å; Y375-V378 HydrophobicContact CD1-CG2 3.97Å; Y375-Y385 HydrophobicContact CE1-CE1 4.05Å
376	M	76.8	Confident	74.8	Confident	88 Å²	88	65.4 Å²	65.4	43%	0.433	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-28.6	172.4	-66.5	-62.2	-70.7	0	0	111.4	R128 L308 D374	R128-M376 PolarHBondContact NH1-O 3.05Å; L308-M376 HydrophobicContact CB-SD 4.25Å; D374-M376 PolarHBondContact O-N 3.23Å; D374-M376 VanDerWaalsContact OD1-CB 3.3Å; D374-M376 WeakPolarHBondContact OD1-CB 3.48Å; D374-M376 PolarHBondContact OD1-N 3.17Å
377	E	74.9	Confident	74.7	Confident	162 Å²	162	64.9 Å²	64.9	76%	0.757	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.2	-180	-59	-161.1	154.8	0	0	113.9	D374 Y375 D379	D374-E377 HydrophobicContact CB-CB 4.48Å; D374-E377 HydrophobicContact CB-CG 4.31Å; D374-E377 PolarHBondContact O-N 3.17Å; D374-E377 VanDerWaalsContact O-N 3.08Å; Y375-E377 VanDerWaalsContact C-N 3.27Å; E377-D379 PolarHBondContact O-N 3.44Å; E377-D379 VanDerWaalsContact O-N 3.13Å
378	V	69	Low	74.7	Confident	19 Å²	19	61.5 Å²	61.5	12%	0.115	31%	0.309	C	S	.	.			trans	-59.4	119.6	-178.5	172.1	0	0	0	0	111.1	I125 V373 D374 Y375 Y385	I125-V378 HydrophobicContact CD1-CG1 4.3Å; V373-V378 HydrophobicContact CG1-CG2 4.05Å; D374-V378 PolarHBondContact O-N 3.11Å; Y375-V378 HydrophobicContact CD1-CG2 3.97Å; V378-Y385 HydrophobicContact CG2-CE1 4.46Å
379	D	62.8	Low	75	Confident	43 Å²	43	61.5 Å²	61.5	23%	0.23	31%	0.309	C	S	.	.			trans	-91.9	-3.4	-176.6	70.7	3.7	0	0	0	113.3	K159 R160 E377 R381 R382	K159-D379 HydrophobicContact CB-CB 4.26Å; R160-D379 VanDerWaalsContact CA-O 3.23Å; R160-D379 WeakPolarHBondContact CA-O 3.34Å; R160-D379 HydrophobicContact CB-CB 4.45Å; R160-D379 WeakPolarHBondContact CB-O 3.42Å; E377-D379 PolarHBondContact O-N 3.44Å; E377-D379 VanDerWaalsContact O-N 3.13Å; D379-R381 PolarHBondContact O-N 2.68Å; D379-R381 VanDerWaalsContact O-N 3.07Å; D379-R381 PolarHBondContact OD1-N 3.42Å; D379-R382 PolarHBondContact OD1-N 3.37Å; D379-R382 VanDerWaalsContact OD1-N 3.15Å
380	G	55.1	Low	75.4	Confident	38 Å²	38	59.8 Å²	59.8	39%	0.392	30%	0.297	S	S	.	.	S	Bend	trans	67	0.3	-178.8	0	0	0	0	0	114.5
381	R	50.4	Low	75.8	Confident	151 Å²	151	53.7 Å²	53.7	57%	0.57	27%	0.269	S	S	*	.	S	Bend	trans	-93	-33.4	175	-68	-175.7	176.4	163.4	9	111.5	E158 K159 D379 T383	E158-R381 PolarHBondContact O-NH1 3.24Å; E158-R381 PolarHBondContact O-NH2 2.97Å; K159-R381 WeakPolarHBondContact O-CD 3.49Å; K159-R381 PolarHBondContact O-NE 3.42Å; D379-R381 PolarHBondContact O-N 2.68Å; D379-R381 VanDerWaalsContact O-N 3.07Å; D379-R381 PolarHBondContact OD1-N 3.42Å; R381-T383 PolarHBondContact O-N 2.96Å
382	R	49.5	Very low	76.2	Confident	195 Å²	195	54.5 Å²	54.5	74%	0.736	27%	0.273	S	S	*	.			trans	-79.3	107.8	170.2	-66.5	-171.5	178.8	-159.9	-0.4	109.6	D379	D379-R382 PolarHBondContact OD1-N 3.37Å; D379-R382 VanDerWaalsContact OD1-N 3.15Å
383	T	49.1	Very low	76.3	Confident	104 Å²	104	56.3 Å²	56.3	64%	0.638	28%	0.283	S	S	*	.			trans	-74.6	-20	171.5	51.2	0	0	0	0	112.6	R381	R381-T383 PolarHBondContact O-N 2.96Å
384	D	57.1	Low	76.5	Confident	109 Å²	109	59.5 Å²	59.5	58%	0.583	31%	0.306	S	S	*	.			trans	-112	109.7	-168.7	-59.9	-3.4	0	0	0	108.3
385	Y	71.5	Confident	76.6	Confident	56 Å²	56	58.7 Å²	58.7	22%	0.22	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-71.9	148	169.5	-57.1	-64.8	0	0	0	109.7	E120 G121 V373 Y375 V378 L387	E120-Y385 WeakPolarHBondContact CB-OH 3.33Å; E120-Y385 PolarHBondContact OE1-OH 2.77Å; G121-Y385 WeakPolarHBondContact CA-OH 3.47Å; G121-Y385 PolarHBondContact N-OH 3.14Å; V373-Y385 HydrophobicContact CB-CD1 4.28Å; V373-Y385 HydrophobicContact CG1-CD1 3.53Å; V373-Y385 HydrophobicContact CG1-CE1 3.87Å; V373-Y385 HydrophobicContact CG2-CD1 3.71Å; V373-Y385 HydrophobicContact CG2-CG 3.94Å; Y375-Y385 HydrophobicContact CE1-CE1 4.05Å; V378-Y385 HydrophobicContact CG2-CE1 4.46Å; Y385-L387 PolarHBondContact O-N 2.67Å; Y385-L387 VanDerWaalsContact O-N 3.14Å
386	T	82	Confident	77	Confident	63 Å²	63	59.6 Å²	59.6	39%	0.387	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-58.5	119.2	173.8	-56.2	0	0	0	0	109.9	L356	L356-T386 HydrophobicContact CD2-CG2 4.47Å
387	L	91.2	Very high	77.4	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.058	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.8	175.7	-151.9	74.7	0	0	0	109.8	H314 L316 Y385 F389 R447	H314-L387 HydrophobicContact CB-CD1 3.76Å; L316-L387 HydrophobicContact CB-CD2 3.61Å; L316-L387 HydrophobicContact CB-CG 4.06Å; L316-L387 HydrophobicContact CD2-CD2 3.77Å; L316-L387 HydrophobicContact CG-CD2 4.32Å; Y385-L387 PolarHBondContact O-N 2.67Å; Y385-L387 VanDerWaalsContact O-N 3.14Å; L387-F389 HydrophobicContact CB-CE1 4.41Å; L387-F389 HydrophobicContact CB-CZ 4.09Å; L387-F389 HydrophobicContact CD2-CD1 4.18Å; L387-F389 HydrophobicContact CD2-CE1 3.52Å; L387-F389 HydrophobicContact CD2-CZ 3.99Å; L387-F389 HydrophobicContact CG-CE1 4.3Å; L387-F389 HydrophobicContact CG-CZ 4.48Å; L387-R447 HydrophobicContact CD2-CB 4.22Å; L387-R447 HydrophobicContact CD2-CG 4.36Å
388	V	96.3	Very high	77.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.5	169.5	-178.6	0	0	0	0	107.8	V313 H314 V315 L316 L354 L356 L362	V313-V388 HydrophobicContact CG1-CG2 3.96Å; H314-V388 PolarHBondContact O-N 3.4Å; V315-V388 CarbonylContact C-O 3.55Å; V315-V388 VanDerWaalsContact CA-O 3.29Å; V315-V388 WeakPolarHBondContact CA-O 3.36Å; V315-V388 HydrophobicContact CG2-CB 4.35Å; L316-V388 PolarHBondContact N-O 2.87Å; L354-V388 HydrophobicContact CB-CG1 3.79Å; L354-V388 HydrophobicContact CD2-CG1 4.07Å; L354-V388 HydrophobicContact CG-CG1 4.38Å; L356-V388 HydrophobicContact CD2-CG2 4.24Å; L362-V388 HydrophobicContact CD1-CB 4.5Å; L362-V388 HydrophobicContact CD1-CG1 3.75Å; L362-V388 HydrophobicContact CD1-CG2 3.85Å
389	F	97.2	Very high	78.6	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.4	-179.5	-54.2	-80.1	0	0	0	109.6	L316 M318 L354 L355 E357 L387 F391 Q450 A454	L316-F389 HydrophobicContact CB-CD1 4.23Å; L316-F389 HydrophobicContact CD2-CD1 4.01Å; L316-F389 HydrophobicContact CD2-CE1 4.05Å; M318-F389 HydrophobicContact CG-CB 4.22Å; M318-F389 HydrophobicContact SD-CB 4.43Å; M318-F389 HydrophobicContact SD-CD1 3.89Å; L354-F389 WeakPolarHBondContact CA-O 3.49Å; L355-F389 HydrophobicContact CB-CB 4.43Å; L355-F389 PolarHBondContact N-O 2.89Å; L355-F389 WeakPolarHBondContact O-CD2 3.48Å; L355-F389 PolarHBondContact O-N 3.16Å; E357-F389 HydrophobicContact CB-CE2 4.43Å; E357-F389 HydrophobicContact CG-CE2 3.79Å; E357-F389 HydrophobicContact CG-CZ 4.2Å; L387-F389 HydrophobicContact CB-CE1 4.41Å; L387-F389 HydrophobicContact CB-CZ 4.09Å; L387-F389 HydrophobicContact CD2-CD1 4.18Å; L387-F389 HydrophobicContact CD2-CE1 3.52Å; L387-F389 HydrophobicContact CD2-CZ 3.99Å; L387-F389 HydrophobicContact CG-CE1 4.3Å; L387-F389 HydrophobicContact CG-CZ 4.48Å; F389-F391 HydrophobicContact CB-CD2 4.39Å; F389-F391 HydrophobicContact CB-CE2 3.54Å; F389-F391 HydrophobicContact CB-CZ 4.12Å; F389-Q450 HydrophobicContact CE1-CB 4.14Å; F389-Q450 HydrophobicContact CZ-CB 3.71Å; F389-A454 HydrophobicContact CD2-CB 3.83Å; F389-A454 HydrophobicContact CE2-CB 4.16Å
390	L	97.1	Very high	79.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.2	178.4	167.8	68.3	0	0	0	110.5	V315 L316 N317 M318 I341 T345 I347 Q352 E353 L354	V315-L390 HydrophobicContact CG1-CB 3.66Å; V315-L390 HydrophobicContact CG1-CD2 4.42Å; L316-L390 PolarHBondContact O-N 3.28Å; N317-L390 HydrophobicContact CB-CD2 4.25Å; M318-L390 VanDerWaalsContact CB-O 3.26Å; M318-L390 WeakPolarHBondContact CB-O 3.18Å; M318-L390 WeakPolarHBondContact CG-O 3.49Å; M318-L390 PolarHBondContact N-O 2.79Å; I341-L390 HydrophobicContact CG2-CD1 4.35Å; I341-L390 HydrophobicContact CG2-CD2 3.49Å; I341-L390 VanDerWaalsContact CG2-CD2 3.49Å; T345-L390 HydrophobicContact CG2-CD2 3.84Å; I347-L390 HydrophobicContact CD1-CD2 4.07Å; I347-L390 HydrophobicContact CD1-CG 4.34Å; Q352-L390 HydrophobicContact CB-CD1 3.77Å; Q352-L390 HydrophobicContact CG-CD1 3.84Å; E353-L390 WeakPolarHBondContact O-CA 3.5Å; L354-L390 HydrophobicContact CD2-CB 3.9Å; L354-L390 HydrophobicContact CD2-CD1 3.64Å; L354-L390 HydrophobicContact CD2-CG 4.34Å
391	F	95.6	Very high	80.1	Confident	9 Å²	9	62.4 Å²	62.4	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.2	172.1	-60.5	-89.8	0	0	0	110.5	M318 E353 L355 F389 Y398 G451 A455 L610	M318-F391 HydrophobicContact CB-CD1 3.93Å; M318-F391 HydrophobicContact CB-CE1 3.77Å; M318-F391 HydrophobicContact CB-CZ 4.29Å; M318-F391 HydrophobicContact CE-CE1 4.24Å; M318-F391 HydrophobicContact CE-CZ 4.24Å; M318-F391 HydrophobicContact CG-CD1 4.07Å; M318-F391 HydrophobicContact CG-CD2 4.49Å; M318-F391 HydrophobicContact CG-CE1 3.59Å; M318-F391 HydrophobicContact CG-CE2 4.05Å; M318-F391 HydrophobicContact CG-CG 4.5Å; M318-F391 HydrophobicContact CG-CZ 3.58Å; M318-F391 HydrophobicContact SD-CZ 4.46Å; E353-F391 HydrophobicContact CB-CB 4.38Å; E353-F391 PolarHBondContact N-O 2.99Å; E353-F391 PolarHBondContact O-N 3.49Å; L355-F391 HydrophobicContact CB-CE2 4.16Å; L355-F391 HydrophobicContact CD1-CD2 3.86Å; L355-F391 HydrophobicContact CD1-CE2 3.61Å; L355-F391 HydrophobicContact CD1-CZ 4.46Å; L355-F391 HydrophobicContact CG-CD2 4.02Å; L355-F391 HydrophobicContact CG-CE2 4.01Å; F389-F391 HydrophobicContact CB-CD2 4.39Å; F389-F391 HydrophobicContact CB-CE2 3.54Å; F389-F391 HydrophobicContact CB-CZ 4.12Å; F391-Y398 HydrophobicContact CD1-CE1 4.36Å; F391-G451 WeakPolarHBondContact CZ-O 3.22Å; F391-A455 HydrophobicContact CE1-CB 3.85Å; F391-A455 HydrophobicContact CE2-CB 4.45Å; F391-A455 HydrophobicContact CZ-CB 3.7Å; F391-L610 HydrophobicContact CD1-CD1 4.32Å; F391-L610 HydrophobicContact CE1-CD1 3.76Å
392	D	94	Very high	80.7	Confident	20 Å²	20	59.9 Å²	59.9	11%	0.107	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	113.1	170.7	-178.2	-1.5	0	0	0	108.9	M319 I347 S394 Y398	M319-D392 HydrophobicContact CG-CB 4.37Å; M319-D392 HydrophobicContact SD-CB 4.21Å; I347-D392 HydrophobicContact CD1-CB 4.11Å; I347-D392 HydrophobicContact CG1-CB 4.43Å; I347-D392 HydrophobicContact CG2-CB 4.17Å; D392-S394 VanDerWaalsContact CG-OG 3.27Å; D392-S394 PolarHBondContact O-N 2.84Å; D392-S394 WeakPolarHBondContact OD1-CB 3.19Å; D392-S394 PolarHBondContact OD1-N 3.41Å; D392-S394 PolarHBondContact OD1-OG 2.88Å; D392-S394 PolarHBondContact OD2-OG 3.32Å; D392-Y398 PolarHBondContact N-OH 2.87Å; D392-Y398 PolarHBondContact O-OH 3.39Å
393	C	90.4	Very high	81.4	Confident	56 Å²	56	54 Å²	54	38%	0.378	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-16	178.7	-70.7	0	0	0	0	113.4	N351 E353 S395	N351-C393 WeakPolarHBondContact O-CB 3.07Å; N351-C393 PolarHBondContact O-N 2.9Å; E353-C393 VanDerWaalsContact CB-SG 3.52Å; C393-S395 VanDerWaalsContact C-N 3.35Å
394	S	88.2	Confident	82.3	Confident	78 Å²	78	54 Å²	54	55%	0.545	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-15	179	70.6	0	0	0	0	113.5	N351 D392	N351-S394 WeakPolarHBondContact ND2-CB 3.34Å; D392-S394 VanDerWaalsContact CG-OG 3.27Å; D392-S394 PolarHBondContact O-N 2.84Å; D392-S394 WeakPolarHBondContact OD1-CB 3.19Å; D392-S394 PolarHBondContact OD1-N 3.41Å; D392-S394 PolarHBondContact OD1-OG 2.88Å; D392-S394 PolarHBondContact OD2-OG 3.32Å
395	S	85.6	Confident	83.2	Confident	24 Å²	24	53.9 Å²	53.9	17%	0.168	30%	0.295	C	S	.	.			trans	-115.4	130.6	-179.4	-174.4	0	0	0	0	112.1	C393 T397	C393-S395 VanDerWaalsContact C-N 3.35Å; S395-T397 PolarHBondContact OG-N 3.28Å; S395-T397 PolarHBondContact OG-O 3.26Å; S395-T397 PolarHBondContact OG-OG1 3.3Å
396	C	82.7	Confident	83.7	Confident	25 Å²	25	58.4 Å²	58.4	17%	0.169	32%	0.321	C	S	.	.	S	Bend	trans	-96.8	-4.3	168.2	-64.4	0	0	0	0	112.5	M615 H618	C396-M615 HydrophobicContact CB-CE 3.65Å; C396-M615 HydrophobicContact CB-SD 4.17Å; C396-H618 WeakPolarHBondContact SG-CB 3.4Å
397	T	85.3	Confident	84	Confident	93 Å²	93	56.5 Å²	56.5	57%	0.571	31%	0.308	S	S	*	.			trans	-117.3	115.4	-176.2	49.4	0	0	0	0	109.8	S395	S395-T397 PolarHBondContact OG-N 3.28Å; S395-T397 PolarHBondContact OG-O 3.26Å; S395-T397 PolarHBondContact OG-OG1 3.3Å
398	Y	86.3	Confident	83.8	Confident	11 Å²	11	56.7 Å²	56.7	4%	0.043	31%	0.31	C	S	.	.			trans	-107.5	117.8	177.3	-69.2	-116.8	0	0	0	108.1	M318 M319 F391 D392 Y607 L610 S611 A614	M318-Y398 HydrophobicContact CB-CE1 4.48Å; M319-Y398 HydrophobicContact CG-CD1 4.34Å; M319-Y398 HydrophobicContact CG-CE1 4.03Å; M319-Y398 HydrophobicContact SD-CD1 3.21Å; M319-Y398 WeakPolarHBondContact SD-CD1 3.37Å; M319-Y398 HydrophobicContact SD-CD2 4.4Å; M319-Y398 HydrophobicContact SD-CE1 3.06Å; M319-Y398 WeakPolarHBondContact SD-CE1 3.45Å; M319-Y398 HydrophobicContact SD-CE2 4.25Å; M319-Y398 HydrophobicContact SD-CG 3.89Å; M319-Y398 VanDerWaalsContact SD-CZ 3.59Å; F391-Y398 HydrophobicContact CD1-CE1 4.36Å; D392-Y398 PolarHBondContact N-OH 2.87Å; D392-Y398 PolarHBondContact O-OH 3.39Å; Y398-Y607 HydrophobicContact CD1-CE1 4.41Å; Y398-L610 HydrophobicContact CD1-CD2 3.36Å; Y398-L610 HydrophobicContact CD1-CG 3.88Å; Y398-L610 HydrophobicContact CD2-CG 4.25Å; Y398-L610 HydrophobicContact CE1-CD2 3.85Å; Y398-L610 HydrophobicContact CE1-CG 4.26Å; Y398-L610 HydrophobicContact CG-CD2 3.82Å; Y398-L610 HydrophobicContact CG-CG 3.91Å; Y398-S611 PolarHBondContact N-OG 3.28Å; Y398-S611 PolarHBondContact O-OG 2.9Å; Y398-A614 HydrophobicContact CD2-CB 4.17Å; Y398-A614 HydrophobicContact CE2-CB 3.65Å
399	E	82.9	Confident	83.6	Confident	152 Å²	152	59.2 Å²	59.2	71%	0.71	32%	0.322	S	S	*	.			trans	-103.2	142.1	174.5	-68.3	-163.9	171.6	0	0	111	Q401	E399-Q401 PolarHBondContact O-N 3.02Å
400	P	75.4	Confident	83.3	Confident	37 Å²	37	59.5 Å²	59.5	24%	0.24	32%	0.323	C	S	.	.			trans	-64.4	106	173.9	25.6	-32.6	0	0	0	110.5	F402 R604 Y607	P400-F402 VanDerWaalsContact C-N 3.29Å; P400-F402 HydrophobicContact CB-CD1 4.48Å; P400-F402 HydrophobicContact CB-CD2 4.06Å; P400-F402 HydrophobicContact CB-CE1 3.99Å; P400-F402 HydrophobicContact CB-CE2 3.53Å; P400-F402 HydrophobicContact CB-CZ 3.48Å; P400-F402 VanDerWaalsContact CB-CZ 3.48Å; P400-F402 HydrophobicContact CG-CD2 4.22Å; P400-F402 HydrophobicContact CG-CE2 3.39Å; P400-F402 HydrophobicContact CG-CZ 3.6Å; P400-F402 VanDerWaalsContact O-CD2 3.3Å; P400-F402 WeakPolarHBondContact O-CD2 3.48Å; P400-F402 PolarHBondContact O-N 3.46Å; P400-R604 HydrophobicContact CG-CG 4.3Å; P400-Y607 HydrophobicContact CB-CD2 3.63Å; P400-Y607 HydrophobicContact CB-CE2 4.01Å; P400-Y607 HydrophobicContact CB-CG 4.44Å; P400-Y607 HydrophobicContact CG-CD2 4.48Å
401	Q	73.8	Confident	83.2	Confident	116 Å²	116	59.5 Å²	59.5	54%	0.542	32%	0.323	S	S	.	.			trans	-75.5	83.5	168.4	-61.9	-174.2	3.9	0	0	109.3	E399 S403	E399-Q401 PolarHBondContact O-N 3.02Å; Q401-S403 PolarHBondContact O-N 2.89Å
402	F	62.9	Low	83	Confident	99 Å²	99	65.1 Å²	65.1	43%	0.434	35%	0.345	S	S	.	.			trans	-67.4	93.2	-180	-63.7	-75.8	0	0	0	111.3	P400 E600 L603 R604	P400-F402 VanDerWaalsContact C-N 3.29Å; P400-F402 HydrophobicContact CB-CD1 4.48Å; P400-F402 HydrophobicContact CB-CD2 4.06Å; P400-F402 HydrophobicContact CB-CE1 3.99Å; P400-F402 HydrophobicContact CB-CE2 3.53Å; P400-F402 HydrophobicContact CB-CZ 3.48Å; P400-F402 VanDerWaalsContact CB-CZ 3.48Å; P400-F402 HydrophobicContact CG-CD2 4.22Å; P400-F402 HydrophobicContact CG-CE2 3.39Å; P400-F402 HydrophobicContact CG-CZ 3.6Å; P400-F402 VanDerWaalsContact O-CD2 3.3Å; P400-F402 WeakPolarHBondContact O-CD2 3.48Å; P400-F402 PolarHBondContact O-N 3.46Å; F402-E600 HydrophobicContact CE1-CB 4.49Å; F402-L603 HydrophobicContact CE1-CD2 4.36Å; F402-R604 HydrophobicContact CE1-CG 4.38Å; F402-R604 HydrophobicContact CE2-CG 4.41Å; F402-R604 HydrophobicContact CZ-CG 3.53Å
403	S	65.4	Low	82.9	Confident	72 Å²	72	67 Å²	67	50%	0.503	35%	0.352	S	S	.	.			trans	-93.4	112	155.8	60.4	0	0	0	0	108.4	Q401 R405	Q401-S403 PolarHBondContact O-N 2.89Å; S403-R405 PolarHBondContact O-N 3.24Å
404	P	67.4	Low	83	Confident	104 Å²	104	64.5 Å²	64.5	68%	0.675	33%	0.334	S	S	*	.			trans	-55.3	130.4	176.9	-22.2	31.5	0	0	0	109.8	I406	P404-I406 PolarHBondContact O-N 3.18Å
405	R	76.1	Confident	83.1	Confident	106 Å²	106	64 Å²	64	40%	0.4	32%	0.323	S	S	.	.			trans	-56.6	126.4	173.9	177.7	177.5	-90.9	-107.4	1.5	108.4	S403 L407 D444	S403-R405 PolarHBondContact O-N 3.24Å; R405-L407 PolarHBondContact O-N 3.45Å; R405-D444 IonicContact CZ-OD2 3.44Å; R405-D444 IonicContact NH2-OD1 2.72Å; R405-D444 IonicContact NH2-OD2 2.79Å; R405-D444 PolarHBondContact NH2-OD2 3.27Å
406	I	81.4	Confident	83.4	Confident	150 Å²	150	71.7 Å²	71.7	77%	0.769	35%	0.354	S	S	*	.			trans	-69.3	106.2	175.9	-59.3	175.7	0	0	0	107.7	P404	P404-I406 PolarHBondContact O-N 3.18Å
407	L	87.9	Confident	83.8	Confident	23 Å²	23	73.9 Å²	73.9	12%	0.12	36%	0.364	C	S	.	.			trans	-75.2	139.8	-179.9	-62.6	176.8	0	0	0	110.7	R405 I411 R412 Q415 T437 M592	R405-L407 PolarHBondContact O-N 3.45Å; L407-I411 HydrophobicContact CB-CB 4.36Å; L407-I411 HydrophobicContact CB-CG2 4.3Å; L407-I411 HydrophobicContact CD1-CG2 4.13Å; L407-R412 HydrophobicContact CB-CG 3.84Å; L407-R412 WeakPolarHBondContact O-CD 3.45Å; L407-R412 PolarHBondContact O-NE 3.01Å; L407-Q415 VanDerWaalsContact CD1-NE2 3.32Å; L407-T437 HydrophobicContact CD2-CG2 4Å; L407-M592 HydrophobicContact CD2-CE 3.89Å
408	P	88.9	Confident	84.1	Confident	15 Å²	15	71.4 Å²	71.4	10%	0.097	35%	0.35	C	S	.	.			trans	-47.3	146.9	170.4	-28	30.9	0	0	0	112.6	P263 N410 I411 R412	P263-P408 HydrophobicContact CB-CG 4.45Å; P263-P408 HydrophobicContact CG-CG 4.21Å; P408-N410 PolarHBondContact O-N 3.13Å; P408-I411 HydrophobicContact CB-CD1 4.33Å; P408-I411 HydrophobicContact CB-CG1 4.21Å; P408-I411 HydrophobicContact CG-CD1 3.96Å; P408-I411 HydrophobicContact CG-CG1 4.38Å; P408-I411 PolarHBondContact O-N 3.45Å; P408-R412 PolarHBondContact O-N 2.89Å
409	E	90.8	Very high	84.5	Confident	54 Å²	54	80.6 Å²	80.6	25%	0.252	38%	0.384	S	S	.	.	H	α-helix	trans	-50	-44.6	-178.2	177.9	174.1	-163.4	0	0	112.9	Y247 R255 I411 R412 F413	Y247-E409 PolarHBondContact OH-OE2 3.23Å; R255-E409 IonicContact CZ-OE1 3.58Å; R255-E409 IonicContact CZ-OE2 2.76Å; R255-E409 IonicContact NH1-OE1 3.86Å; R255-E409 PolarHBondContact NH1-OE1 3.39Å; R255-E409 IonicContact NH1-OE2 3.8Å; R255-E409 PolarHBondContact NH1-OE2 3.21Å; R255-E409 IonicContact NH2-OE1 2.87Å; R255-E409 PolarHBondContact NH2-OE1 3.44Å; E409-I411 VanDerWaalsContact C-N 3.32Å; E409-I411 PolarHBondContact O-N 3.29Å; E409-R412 PolarHBondContact O-N 3.15Å; E409-F413 PolarHBondContact O-N 3.05Å
410	N	92.1	Very high	84.9	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.027	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-37	-179.1	-62.3	-10.2	0	0	0	112.7	L250 P408 F413 I414 T430 Q433	L250-N410 HydrophobicContact CD1-CB 3.82Å; L250-N410 HydrophobicContact CG-CB 4.41Å; P408-N410 PolarHBondContact O-N 3.13Å; N410-F413 PolarHBondContact O-N 2.79Å; N410-I414 PolarHBondContact O-N 3.21Å; N410-T430 HydrophobicContact CB-CG2 4.17Å; N410-Q433 VanDerWaalsContact CB-OE1 3.24Å; N410-Q433 PolarHBondContact ND2-OE1 3.31Å
411	I	93.1	Very high	85.7	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-69.2	-43.6	177.4	-58.1	-174.3	0	0	0	109.6	L407 P408 E409 F413 I414 Q415 Q433 V434 T437 M592	L407-I411 HydrophobicContact CB-CB 4.36Å; L407-I411 HydrophobicContact CB-CG2 4.3Å; L407-I411 HydrophobicContact CD1-CG2 4.13Å; P408-I411 HydrophobicContact CB-CD1 4.33Å; P408-I411 HydrophobicContact CB-CG1 4.21Å; P408-I411 HydrophobicContact CG-CD1 3.96Å; P408-I411 HydrophobicContact CG-CG1 4.38Å; P408-I411 PolarHBondContact O-N 3.45Å; E409-I411 VanDerWaalsContact C-N 3.32Å; E409-I411 PolarHBondContact O-N 3.29Å; I411-F413 VanDerWaalsContact C-N 3.27Å; I411-F413 PolarHBondContact O-N 2.72Å; I411-I414 VanDerWaalsContact O-CG1 3.25Å; I411-I414 WeakPolarHBondContact O-CG1 3.5Å; I411-I414 PolarHBondContact O-N 2.78Å; I411-Q415 HydrophobicContact CG2-CG 4.44Å; I411-Q415 WeakPolarHBondContact O-CB 3.42Å; I411-Q415 WeakPolarHBondContact O-CG 3.39Å; I411-Q415 PolarHBondContact O-N 3.09Å; I411-Q433 HydrophobicContact CD1-CB 4.2Å; I411-Q433 HydrophobicContact CG1-CB 4.33Å; I411-V434 HydrophobicContact CD1-CG2 3.8Å; I411-V434 HydrophobicContact CG1-CG2 3.78Å; I411-V434 HydrophobicContact CG2-CG2 4.16Å; I411-T437 VanDerWaalsContact CD1-OG1 3.28Å; I411-T437 WeakPolarHBondContact CD1-OG1 3.5Å; I411-M592 HydrophobicContact CD1-SD 4.3Å; I411-M592 HydrophobicContact CG2-CG 3.8Å; I411-M592 HydrophobicContact CG2-SD 4.1Å
412	R	92.3	Very high	86.6	Confident	128 Å²	128	73 Å²	73	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-36.3	175.7	-69.4	-172.8	-74.5	164.2	1.3	112.3	L407 P408 E409 K416	L407-R412 HydrophobicContact CB-CG 3.84Å; L407-R412 WeakPolarHBondContact O-CD 3.45Å; L407-R412 PolarHBondContact O-NE 3.01Å; P408-R412 PolarHBondContact O-N 2.89Å; E409-R412 PolarHBondContact O-N 3.15Å; R412-K416 WeakPolarHBondContact O-CG 3.37Å; R412-K416 PolarHBondContact O-N 3.05Å
413	F	92.1	Very high	88	Confident	60 Å²	60	71.1 Å²	71.1	26%	0.263	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-53.3	176.1	-176.7	-86.3	0	0	0	111.5	L250 E409 N410 I411 Q415 K416 D417 H420 L422	L250-F413 HydrophobicContact CB-CD1 4.11Å; L250-F413 HydrophobicContact CB-CD2 4.18Å; L250-F413 HydrophobicContact CB-CE1 4.25Å; L250-F413 HydrophobicContact CB-CE2 4.32Å; L250-F413 HydrophobicContact CB-CG 4.07Å; L250-F413 HydrophobicContact CB-CZ 4.36Å; L250-F413 HydrophobicContact CD1-CB 3.84Å; L250-F413 HydrophobicContact CD1-CD1 3.62Å; L250-F413 HydrophobicContact CD1-CE1 4.37Å; L250-F413 HydrophobicContact CD1-CG 3.81Å; E409-F413 PolarHBondContact O-N 3.05Å; N410-F413 PolarHBondContact O-N 2.79Å; I411-F413 VanDerWaalsContact C-N 3.27Å; I411-F413 PolarHBondContact O-N 2.72Å; F413-Q415 VanDerWaalsContact C-N 3.26Å; F413-Q415 PolarHBondContact O-N 3.06Å; F413-K416 PolarHBondContact O-N 2.77Å; F413-K416 VanDerWaalsContact O-N 3.11Å; F413-D417 PolarHBondContact O-N 3.46Å; F413-H420 HydrophobicContact CE1-CB 4.13Å; F413-H420 AromaticContact CE1-CD2 3.79Å; F413-H420 AromaticContact CE1-CG 3.86Å; F413-L422 HydrophobicContact CE1-CD2 4.24Å
414	I	93.1	Very high	89.3	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-21	-179.4	62.6	158.4	0	0	0	113.5	N410 I411 D417 P418 L422 T430 V434 T588 A589	N410-I414 PolarHBondContact O-N 3.21Å; I411-I414 VanDerWaalsContact O-CG1 3.25Å; I411-I414 WeakPolarHBondContact O-CG1 3.5Å; I411-I414 PolarHBondContact O-N 2.78Å; I414-D417 CarbonylContact O-C 3.52Å; I414-P418 WeakPolarHBondContact O-CA 3.31Å; I414-P418 WeakPolarHBondContact O-CB 3.22Å; I414-P418 WeakPolarHBondContact O-CD 3.17Å; I414-P418 VanDerWaalsContact O-CG 3.23Å; I414-P418 WeakPolarHBondContact O-CG 3.18Å; I414-P418 VanDerWaalsContact O-N 3.11Å; I414-L422 HydrophobicContact CG2-CD1 3.87Å; I414-T430 HydrophobicContact CD1-CG2 3.51Å; I414-T430 HydrophobicContact CG1-CG2 3.89Å; I414-T430 HydrophobicContact CG2-CG2 3.85Å; I414-V434 HydrophobicContact CD1-CG2 4.14Å; I414-T588 HydrophobicContact CD1-CG2 3.65Å; I414-A589 HydrophobicContact CD1-CB 4.28Å
415	Q	90.4	Very high	90.3	Very high	67 Å²	67	67.3 Å²	67.3	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-71.1	-34.1	171.5	-80	179.4	-30.8	0	0	112	L407 I411 F413	L407-Q415 VanDerWaalsContact CD1-NE2 3.32Å; I411-Q415 HydrophobicContact CG2-CG 4.44Å; I411-Q415 WeakPolarHBondContact O-CB 3.42Å; I411-Q415 WeakPolarHBondContact O-CG 3.39Å; I411-Q415 PolarHBondContact O-N 3.09Å; F413-Q415 VanDerWaalsContact C-N 3.26Å; F413-Q415 PolarHBondContact O-N 3.06Å
416	K	91.7	Very high	91	Very high	187 Å²	187	64 Å²	64	81%	0.813	31%	0.312	S	S	*	.	H	α-helix	trans	-77.2	-41.6	177.4	-72.1	-179.5	178.7	-172.7	0	112.1	R412 F413	R412-K416 WeakPolarHBondContact O-CG 3.37Å; R412-K416 PolarHBondContact O-N 3.05Å; F413-K416 PolarHBondContact O-N 2.77Å; F413-K416 VanDerWaalsContact O-N 3.11Å
417	D	91.4	Very high	91.6	Very high	71 Å²	71	57.7 Å²	57.7	38%	0.38	28%	0.28	S	S	.	.			trans	-134	80.9	177.7	-172.6	10.1	0	0	0	111.7	F413 I414 R419 H420	F413-D417 PolarHBondContact O-N 3.46Å; I414-D417 CarbonylContact O-C 3.52Å; D417-R419 PolarHBondContact O-N 3.23Å; D417-H420 HydrophobicContact CB-CB 4.3Å; D417-H420 WeakPolarHBondContact O-CB 3.29Å; D417-H420 PolarHBondContact O-N 2.93Å; D417-H420 PolarHBondContact OD1-N 3.48Å; D417-H420 WeakPolarHBondContact OD2-CB 3.4Å; D417-H420 IonicContact OD2-CG 2.68Å; D417-H420 IonicContact OD2-ND1 2.97Å
418	P	91.6	Very high	91.9	Very high	41 Å²	41	61.2 Å²	61.2	27%	0.266	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.9	-176.5	-17.4	27.4	0	0	0	114.1	I414 H420 G585 T586 A589	I414-P418 WeakPolarHBondContact O-CA 3.31Å; I414-P418 WeakPolarHBondContact O-CB 3.22Å; I414-P418 WeakPolarHBondContact O-CD 3.17Å; I414-P418 VanDerWaalsContact O-CG 3.23Å; I414-P418 WeakPolarHBondContact O-CG 3.18Å; I414-P418 VanDerWaalsContact O-N 3.11Å; P418-H420 VanDerWaalsContact C-N 3.31Å; P418-G585 CarbonylContact O-C 3.51Å; P418-G585 PolarHBondContact O-N 2.92Å; P418-T586 PolarHBondContact O-N 3.28Å; P418-T586 PolarHBondContact O-OG1 2.97Å; P418-A589 HydrophobicContact CB-CB 4.1Å; P418-A589 HydrophobicContact CG-CB 4.34Å
419	R	92.8	Very high	92.1	Very high	204 Å²	204	63.7 Å²	63.7	77%	0.77	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.1	-177.1	-67.8	-172.2	-69	-164.3	-2.2	112.8	D417 S421	D417-R419 PolarHBondContact O-N 3.23Å; R419-S421 PolarHBondContact O-N 3.29Å
420	H	92.1	Very high	92.3	Very high	71 Å²	71	61.2 Å²	61.2	33%	0.329	29%	0.287	S	S	.	.			trans	-59.2	126	175.3	-166	84.7	0	0	0	110.9	F413 D417 P418 L422 D584	F413-H420 HydrophobicContact CE1-CB 4.13Å; F413-H420 AromaticContact CE1-CD2 3.79Å; F413-H420 AromaticContact CE1-CG 3.86Å; D417-H420 HydrophobicContact CB-CB 4.3Å; D417-H420 WeakPolarHBondContact O-CB 3.29Å; D417-H420 PolarHBondContact O-N 2.93Å; D417-H420 PolarHBondContact OD1-N 3.48Å; D417-H420 WeakPolarHBondContact OD2-CB 3.4Å; D417-H420 IonicContact OD2-CG 2.68Å; D417-H420 IonicContact OD2-ND1 2.97Å; P418-H420 VanDerWaalsContact C-N 3.31Å; H420-L422 PolarHBondContact O-N 3.03Å; H420-D584 WeakPolarHBondContact O-CA 3.47Å
421	S	93.4	Very high	92.5	Very high	73 Å²	73	61.1 Å²	61.1	51%	0.51	29%	0.287	S	S	.	.			trans	-77.6	113.6	178	-167	0	0	0	0	110.3	R419	R419-S421 PolarHBondContact O-N 3.29Å
422	L	92.7	Very high	92.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-99.8	141.2	178.8	-66.9	173.3	0	0	0	110.9	L250 F413 I414 H420 Q426 L427 P582 G583	L250-L422 HydrophobicContact CD1-CD2 4.43Å; L250-L422 HydrophobicContact CD2-CD2 4.25Å; F413-L422 HydrophobicContact CE1-CD2 4.24Å; I414-L422 HydrophobicContact CG2-CD1 3.87Å; H420-L422 PolarHBondContact O-N 3.03Å; L422-Q426 HydrophobicContact CB-CB 4.35Å; L422-L427 HydrophobicContact CB-CB 4.18Å; L422-P582 VanDerWaalsContact O-CA 3.23Å; L422-P582 WeakPolarHBondContact O-CA 3.34Å; L422-G583 PolarHBondContact N-O 3.41Å; L422-G583 PolarHBondContact O-N 2.86Å
423	P	92.3	Very high	92.8	Very high	60 Å²	60	55.5 Å²	55.5	39%	0.39	27%	0.267	S	S	.	.			trans	-53.6	147.5	165.3	-23.8	33	0	0	0	111.7	S425 Q426 L427	P423-S425 PolarHBondContact O-N 3.25Å; P423-Q426 PolarHBondContact O-N 2.89Å; P423-L427 PolarHBondContact O-N 3.29Å
424	Y	91.6	Very high	93	Very high	30 Å²	30	52.8 Å²	52.8	12%	0.118	26%	0.255	C	S	.	.	H	α-helix	trans	-49	-41.8	-176.7	172.4	-94.7	0	0	0	114.1	R428 L572 R580	Y424-R428 VanDerWaalsContact O-CB 3.26Å; Y424-R428 WeakPolarHBondContact O-CB 3.31Å; Y424-R428 PolarHBondContact O-N 3.15Å; Y424-L572 HydrophobicContact CD2-CD1 3.98Å; Y424-L572 HydrophobicContact CE2-CD1 3.65Å; Y424-L572 HydrophobicContact CE2-CG 4.01Å; Y424-L572 VanDerWaalsContact CE2-O 3.31Å; Y424-L572 WeakPolarHBondContact CE2-O 3.41Å; Y424-L572 PolarHBondContact OH-O 3.06Å; Y424-R580 HydrophobicContact CD1-CB 4.05Å; Y424-R580 HydrophobicContact CD1-CG 4.12Å; Y424-R580 HydrophobicContact CD2-CB 3.75Å; Y424-R580 HydrophobicContact CD2-CG 3.82Å; Y424-R580 HydrophobicContact CE1-CB 4.41Å; Y424-R580 HydrophobicContact CE1-CG 3.97Å; Y424-R580 HydrophobicContact CE2-CB 4.13Å; Y424-R580 HydrophobicContact CE2-CG 3.64Å; Y424-R580 HydrophobicContact CG-CB 3.71Å; Y424-R580 HydrophobicContact CG-CG 4.06Å
425	S	88.5	Confident	93.2	Very high	67 Å²	67	52.9 Å²	52.9	47%	0.469	26%	0.255	S	S	.	.	H	α-helix	trans	-64.5	-42.7	-180	52.2	0	0	0	0	112.8	P423 R429	P423-S425 PolarHBondContact O-N 3.25Å; S425-R429 PolarHBondContact O-N 3.35Å; S425-R429 VanDerWaalsContact O-N 3.08Å
426	Q	91.8	Very high	93.4	Very high	35 Å²	35	50 Å²	50	16%	0.164	24%	0.242	C	C	.	.	H	α-helix	trans	-69.5	-44.7	177.4	-68.6	-177	0.2	0	0	110.5	L250 L422 P423 R428 R429 T430	L250-Q426 HydrophobicContact CD2-CB 3.73Å; L250-Q426 HydrophobicContact CD2-CG 3.86Å; L422-Q426 HydrophobicContact CB-CB 4.35Å; P423-Q426 PolarHBondContact O-N 2.89Å; Q426-R428 VanDerWaalsContact C-N 3.34Å; Q426-R428 PolarHBondContact O-N 3.07Å; Q426-R429 PolarHBondContact O-N 3.03Å; Q426-T430 PolarHBondContact O-N 3.01Å; Q426-T430 PolarHBondContact O-OG1 3.47Å
427	L	93.6	Very high	93.6	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.099	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-44.6	175.1	-176.1	62	0	0	0	111.8	L422 P423 R429 T430 C431 L572 D584	L422-L427 HydrophobicContact CB-CB 4.18Å; P423-L427 PolarHBondContact O-N 3.29Å; L427-R429 VanDerWaalsContact C-N 3.35Å; L427-R429 PolarHBondContact O-N 2.97Å; L427-T430 PolarHBondContact O-N 3.3Å; L427-C431 VanDerWaalsContact O-CB 3.25Å; L427-C431 WeakPolarHBondContact O-CB 3.48Å; L427-C431 PolarHBondContact O-N 3.48Å; L427-L572 HydrophobicContact CD2-CD1 4.27Å; L427-L572 HydrophobicContact CD2-CD2 4.43Å; L427-L572 HydrophobicContact CG-CD2 4.03Å; L427-D584 WeakPolarHBondContact CD1-O 3.22Å
428	R	93.6	Very high	93.7	Very high	96 Å²	96	37.8 Å²	37.8	36%	0.362	19%	0.185	S	C	.	.	H	α-helix	trans	-58.8	-45.5	175.4	-179.9	-176.4	169.5	-130.1	-2.7	111.5	Y424 Q426 G432 F569 L572	Y424-R428 VanDerWaalsContact O-CB 3.26Å; Y424-R428 WeakPolarHBondContact O-CB 3.31Å; Y424-R428 PolarHBondContact O-N 3.15Å; Q426-R428 VanDerWaalsContact C-N 3.34Å; Q426-R428 PolarHBondContact O-N 3.07Å; R428-G432 PolarHBondContact O-N 2.91Å; R428-G432 VanDerWaalsContact O-N 3.08Å; R428-F569 HydrophobicContact CG-CE2 3.87Å; R428-F569 WeakPolarHBondContact O-CE2 2.91Å; R428-L572 HydrophobicContact CB-CD2 4.14Å
429	R	92.6	Very high	93.8	Very high	68 Å²	68	36.6 Å²	36.6	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-62.4	-49	178.2	-176	-179	-178.3	-170.9	2.4	111.1	S425 Q426 L427 G432 Q433	S425-R429 PolarHBondContact O-N 3.35Å; S425-R429 VanDerWaalsContact O-N 3.08Å; Q426-R429 PolarHBondContact O-N 3.03Å; L427-R429 VanDerWaalsContact C-N 3.35Å; L427-R429 PolarHBondContact O-N 2.97Å; R429-G432 PolarHBondContact O-N 3.32Å; R429-Q433 WeakPolarHBondContact O-CG 3.25Å; R429-Q433 PolarHBondContact O-N 3.34Å
430	T	94.8	Very high	93.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-42.4	-178.4	-54	0	0	0	0	112	N410 I414 Q426 L427 Q433 V434	N410-T430 HydrophobicContact CB-CG2 4.17Å; I414-T430 HydrophobicContact CD1-CG2 3.51Å; I414-T430 HydrophobicContact CG1-CG2 3.89Å; I414-T430 HydrophobicContact CG2-CG2 3.85Å; Q426-T430 PolarHBondContact O-N 3.01Å; Q426-T430 PolarHBondContact O-OG1 3.47Å; L427-T430 PolarHBondContact O-N 3.3Å; T430-Q433 PolarHBondContact O-N 2.98Å; T430-V434 PolarHBondContact O-N 2.67Å
431	C	96.3	Very high	93.8	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.027	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-43.7	177	-171.3	0	0	0	0	111.9	L427 Q433 V434 W435 F569 L572	L427-C431 VanDerWaalsContact O-CB 3.25Å; L427-C431 WeakPolarHBondContact O-CB 3.48Å; L427-C431 PolarHBondContact O-N 3.48Å; C431-Q433 PolarHBondContact O-N 3.19Å; C431-V434 PolarHBondContact O-N 3.05Å; C431-W435 PolarHBondContact O-N 3.19Å; C431-F569 HydrophobicContact CB-CD2 4.24Å; C431-L572 HydrophobicContact CB-CD2 4.06Å
432	G	96.1	Very high	93.7	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-41.4	173.8	0	0	0	0	0	112.8	R428 R429 W435 H436	R428-G432 PolarHBondContact O-N 2.91Å; R428-G432 VanDerWaalsContact O-N 3.08Å; R429-G432 PolarHBondContact O-N 3.32Å; G432-W435 PolarHBondContact O-N 3.26Å; G432-H436 WeakPolarHBondContact O-CB 3.35Å; G432-H436 PolarHBondContact O-N 3.5Å
433	Q	96.1	Very high	93.6	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.037	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-38	176.5	-73	176.7	-34.3	0	0	112.8	P263 N410 I411 R429 T430 C431 T437	P263-Q433 HydrophobicContact CG-CB 4.39Å; P263-Q433 HydrophobicContact CG-CG 4.01Å; N410-Q433 VanDerWaalsContact CB-OE1 3.24Å; N410-Q433 PolarHBondContact ND2-OE1 3.31Å; I411-Q433 HydrophobicContact CD1-CB 4.2Å; I411-Q433 HydrophobicContact CG1-CB 4.33Å; R429-Q433 WeakPolarHBondContact O-CG 3.25Å; R429-Q433 PolarHBondContact O-N 3.34Å; T430-Q433 PolarHBondContact O-N 2.98Å; C431-Q433 PolarHBondContact O-N 3.19Å; Q433-T437 WeakPolarHBondContact O-CB 3.4Å; Q433-T437 PolarHBondContact O-N 3.31Å; Q433-T437 PolarHBondContact O-OG1 2.82Å
434	V	96.3	Very high	93.5	Very high	3 Å²	3	23 Å²	23	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-64.9	-48.9	174.2	163.7	0	0	0	0	111	I411 I414 T430 C431 H436 T437 I438 T588 M592	I411-V434 HydrophobicContact CD1-CG2 3.8Å; I411-V434 HydrophobicContact CG1-CG2 3.78Å; I411-V434 HydrophobicContact CG2-CG2 4.16Å; I414-V434 HydrophobicContact CD1-CG2 4.14Å; T430-V434 PolarHBondContact O-N 2.67Å; C431-V434 PolarHBondContact O-N 3.05Å; V434-H436 VanDerWaalsContact C-N 3.32Å; V434-H436 PolarHBondContact O-N 2.82Å; V434-T437 PolarHBondContact O-N 3.46Å; V434-T437 VanDerWaalsContact O-N 3.12Å; V434-I438 HydrophobicContact CG1-CD1 3.76Å; V434-I438 HydrophobicContact CG1-CG1 4.36Å; V434-I438 WeakPolarHBondContact O-CG1 3.34Å; V434-I438 PolarHBondContact O-N 3.04Å; V434-T588 HydrophobicContact CB-CG2 3.6Å; V434-T588 HydrophobicContact CG1-CG2 3.89Å; V434-T588 HydrophobicContact CG2-CG2 3.42Å; V434-T588 VanDerWaalsContact CG2-CG2 3.42Å; V434-M592 HydrophobicContact CG1-CB 3.96Å; V434-M592 HydrophobicContact CG1-SD 4.21Å; V434-M592 HydrophobicContact CG2-CB 4.33Å; V434-M592 HydrophobicContact CG2-SD 4.33Å
435	W	96.9	Very high	93.4	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.015	11%	0.107	C	C	.	.	H	α-helix	trans	-57.2	-47.1	176.3	167.5	45.5	0	0	0	111.6	L112 E113 C431 G432 T437 I438 R439 E562 A565 M566 F569	L112-W435 HydrophobicContact CB-CH2 3.62Å; L112-W435 HydrophobicContact CB-CZ3 3.88Å; L112-W435 WeakPolarHBondContact O-CZ3 3.38Å; E113-W435 VanDerWaalsContact CA-CH2 3.43Å; E113-W435 HydrophobicContact CB-CH2 4.29Å; E113-W435 HydrophobicContact CG-CH2 3.9Å; E113-W435 HydrophobicContact CG-CZ2 4.12Å; C431-W435 PolarHBondContact O-N 3.19Å; G432-W435 PolarHBondContact O-N 3.26Å; W435-T437 VanDerWaalsContact C-N 3.3Å; W435-T437 PolarHBondContact O-N 3.07Å; W435-I438 PolarHBondContact O-N 3.31Å; W435-R439 WeakPolarHBondContact O-CB 3.46Å; W435-R439 PolarHBondContact O-N 2.82Å; W435-E562 PolarHBondContact NE1-OE1 3.5Å; W435-A565 HydrophobicContact CB-CB 3.97Å; W435-A565 HydrophobicContact CG-CB 4.37Å; W435-M566 HydrophobicContact CD2-CB 4.31Å; W435-M566 HydrophobicContact CG-CB 4.4Å; W435-M566 HydrophobicContact CH2-CG 4.25Å; W435-M566 HydrophobicContact CZ2-CB 4.13Å; W435-M566 HydrophobicContact CZ2-CG 3.65Å; W435-F569 AromaticContact CE3-CD1 3.55Å; W435-F569 HydrophobicContact CE3-CD1 3.55Å; W435-F569 HydrophobicContact CE3-CE1 4.06Å; W435-F569 HydrophobicContact CE3-CG 4.25Å; W435-F569 AromaticContact CZ3-CD1 3.64Å; W435-F569 HydrophobicContact CZ3-CD1 3.64Å; W435-F569 AromaticContact CZ3-CE1 3.87Å; W435-F569 HydrophobicContact CZ3-CE1 3.87Å
436	H	95.9	Very high	93.5	Very high	5 Å²	5	23 Å²	23	2%	0.023	10%	0.103	C	C	.	.	H	α-helix	trans	-58.1	-40.7	175.3	176.4	-89.1	0	0	0	112.8	C116 P263 N265 G432 V434 R439 S440	C116-H436 HydrophobicContact CB-CB 4.06Å; P263-H436 WeakPolarHBondContact CB-ND1 3.26Å; N265-H436 PolarHBondContact OD1-NE2 2.78Å; G432-H436 WeakPolarHBondContact O-CB 3.35Å; G432-H436 PolarHBondContact O-N 3.5Å; V434-H436 VanDerWaalsContact C-N 3.32Å; V434-H436 PolarHBondContact O-N 2.82Å; H436-R439 PolarHBondContact CD2-NH2 3.48Å; H436-R439 PolarHBondContact O-N 3.36Å; H436-S440 PolarHBondContact CE1-OG 2.92Å; H436-S440 WeakPolarHBondContact O-CB 3.25Å; H436-S440 PolarHBondContact O-N 3Å; H436-S440 PolarHBondContact O-OG 2.87Å
437	T	94.8	Very high	93.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-67.4	-41.8	178.5	-54	0	0	0	0	111.1	L407 I411 Q433 V434 W435 S440 L441 M592	L407-T437 HydrophobicContact CD2-CG2 4Å; I411-T437 VanDerWaalsContact CD1-OG1 3.28Å; I411-T437 WeakPolarHBondContact CD1-OG1 3.5Å; Q433-T437 WeakPolarHBondContact O-CB 3.4Å; Q433-T437 PolarHBondContact O-N 3.31Å; Q433-T437 PolarHBondContact O-OG1 2.82Å; V434-T437 PolarHBondContact O-N 3.46Å; V434-T437 VanDerWaalsContact O-N 3.12Å; W435-T437 VanDerWaalsContact C-N 3.3Å; W435-T437 PolarHBondContact O-N 3.07Å; T437-S440 WeakPolarHBondContact O-CB 3.43Å; T437-S440 PolarHBondContact O-N 2.84Å; T437-L441 WeakPolarHBondContact O-CG 3.32Å; T437-L441 PolarHBondContact O-N 3.33Å; T437-M592 HydrophobicContact CG2-CE 3.63Å; T437-M592 HydrophobicContact CG2-SD 3.98Å
438	I	94.9	Very high	93.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.7	-43.7	175.5	-64.2	170.8	0	0	0	110.4	V434 W435 S440 L441 K442 L561 E562 A565 L591 M592 A595	V434-I438 HydrophobicContact CG1-CD1 3.76Å; V434-I438 HydrophobicContact CG1-CG1 4.36Å; V434-I438 WeakPolarHBondContact O-CG1 3.34Å; V434-I438 PolarHBondContact O-N 3.04Å; W435-I438 PolarHBondContact O-N 3.31Å; I438-S440 VanDerWaalsContact C-N 3.29Å; I438-S440 PolarHBondContact O-N 3.13Å; I438-L441 PolarHBondContact O-N 3.22Å; I438-K442 PolarHBondContact O-N 3.34Å; I438-L561 HydrophobicContact CG2-CB 4.37Å; I438-E562 HydrophobicContact CG2-CB 3.92Å; I438-A565 HydrophobicContact CD1-CB 3.76Å; I438-L591 HydrophobicContact CD1-CB 4.1Å; I438-M592 HydrophobicContact CG1-SD 4.44Å; I438-A595 HydrophobicContact CB-CB 4.41Å; I438-A595 HydrophobicContact CD1-CB 4.22Å; I438-A595 HydrophobicContact CG1-CB 3.72Å; I438-A595 HydrophobicContact CG2-CB 4.07Å
439	R	93.8	Very high	93.2	Very high	16 Å²	16	20.5 Å²	20.5	6%	0.06	9%	0.092	C	C	.	.	H	α-helix	trans	-58.1	-42.6	173.1	-170.2	-176.5	74.9	-173	-1.5	111.4	E113 W435 H436 L441 K442 E443 E562	E113-R439 PolarHBondContact O-NH1 3.31Å; W435-R439 WeakPolarHBondContact O-CB 3.46Å; W435-R439 PolarHBondContact O-N 2.82Å; H436-R439 PolarHBondContact CD2-NH2 3.48Å; H436-R439 PolarHBondContact O-N 3.36Å; R439-L441 PolarHBondContact O-N 3.38Å; R439-K442 WeakPolarHBondContact O-CB 3.38Å; R439-K442 PolarHBondContact O-N 3.12Å; R439-E443 IonicContact NE-OE1 3.52Å; R439-E443 PolarHBondContact NE-OE1 3.38Å; R439-E443 WeakPolarHBondContact O-CG 3.27Å; R439-E443 PolarHBondContact O-N 3.24Å; R439-E562 HydrophobicContact CB-CG 4.07Å; R439-E562 HydrophobicContact CG-CG 4.41Å
440	S	92.3	Very high	93.2	Very high	12 Å²	12	20 Å²	20	8%	0.084	9%	0.092	C	C	.	.	H	α-helix	trans	-63.8	-40.4	177.1	-57.8	0	0	0	0	112.4	H436 T437 I438 K442 E443 D444	H436-S440 PolarHBondContact CE1-OG 2.92Å; H436-S440 WeakPolarHBondContact O-CB 3.25Å; H436-S440 PolarHBondContact O-N 3Å; H436-S440 PolarHBondContact O-OG 2.87Å; T437-S440 WeakPolarHBondContact O-CB 3.43Å; T437-S440 PolarHBondContact O-N 2.84Å; I438-S440 VanDerWaalsContact C-N 3.29Å; I438-S440 PolarHBondContact O-N 3.13Å; S440-K442 VanDerWaalsContact C-N 3.32Å; S440-K442 PolarHBondContact O-N 3.11Å; S440-E443 PolarHBondContact O-N 2.91Å; S440-D444 VanDerWaalsContact O-CG 3.23Å; S440-D444 PolarHBondContact O-N 3.41Å
441	L	91.7	Very high	93.2	Very high	6 Å²	6	20 Å²	20	3%	0.031	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-39.4	174.3	-69.9	172.9	0	0	0	111.8	T437 I438 R439 W445 M592 A595 V596 Y599	T437-L441 WeakPolarHBondContact O-CG 3.32Å; T437-L441 PolarHBondContact O-N 3.33Å; I438-L441 PolarHBondContact O-N 3.22Å; R439-L441 PolarHBondContact O-N 3.38Å; L441-W445 WeakPolarHBondContact O-CB 3.4Å; L441-W445 PolarHBondContact O-N 3.17Å; L441-M592 HydrophobicContact CD1-CE 4.08Å; L441-A595 HydrophobicContact CD1-CB 4.2Å; L441-V596 HydrophobicContact CD1-CG2 4.17Å; L441-Y599 HydrophobicContact CB-CD2 4.1Å; L441-Y599 HydrophobicContact CB-CG 4.49Å; L441-Y599 HydrophobicContact CD2-CD1 4.07Å; L441-Y599 HydrophobicContact CD2-CD2 4.19Å; L441-Y599 HydrophobicContact CD2-CE1 4.36Å; L441-Y599 HydrophobicContact CD2-CE2 4.46Å; L441-Y599 HydrophobicContact CD2-CG 3.98Å; L441-Y599 WeakPolarHBondContact O-CD2 3.21Å; L441-Y599 VanDerWaalsContact O-CE2 3.27Å; L441-Y599 WeakPolarHBondContact O-CE2 3.25Å
442	K	91.4	Very high	93	Very high	42 Å²	42	19.8 Å²	19.8	18%	0.183	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-46.5	173.4	169.2	-179.3	158.7	174.2	0	111.4	I438 R439 S440 W445 Q446 L558 D559 E562	I438-K442 PolarHBondContact O-N 3.34Å; R439-K442 WeakPolarHBondContact O-CB 3.38Å; R439-K442 PolarHBondContact O-N 3.12Å; S440-K442 VanDerWaalsContact C-N 3.32Å; S440-K442 PolarHBondContact O-N 3.11Å; K442-W445 WeakPolarHBondContact O-CB 3.49Å; K442-W445 PolarHBondContact O-N 2.66Å; K442-Q446 WeakPolarHBondContact O-CG 3.37Å; K442-Q446 PolarHBondContact O-N 3.41Å; K442-L558 HydrophobicContact CB-CB 4.41Å; K442-D559 WeakPolarHBondContact CD-OD1 3.47Å; K442-D559 WeakPolarHBondContact CE-OD1 3.43Å; K442-D559 IonicContact NZ-OD1 3.28Å; K442-D559 PolarHBondContact NZ-OD1 3.49Å; K442-E562 HydrophobicContact CD-CB 4.46Å; K442-E562 HydrophobicContact CD-CG 4.47Å; K442-E562 IonicContact NZ-OE2 3.04Å
443	E	90.8	Very high	92.8	Very high	26 Å²	26	25 Å²	25	12%	0.121	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-42.6	177.9	-71.2	172.7	-159.6	0	0	112.2	R119 R439 S440 W445 Q446 R447	R119-E443 IonicContact CZ-OE1 3.99Å; R119-E443 VanDerWaalsContact CZ-OE1 3.25Å; R119-E443 IonicContact CZ-OE2 2.67Å; R119-E443 VanDerWaalsContact NH1-CD 3.31Å; R119-E443 IonicContact NH1-OE1 2.73Å; R119-E443 PolarHBondContact NH1-OE1 2.87Å; R119-E443 IonicContact NH1-OE2 3.34Å; R119-E443 PolarHBondContact NH1-OE2 2.92Å; R119-E443 IonicContact NH2-OE1 2.8Å; R119-E443 PolarHBondContact NH2-OE1 2.89Å; R439-E443 IonicContact NE-OE1 3.52Å; R439-E443 PolarHBondContact NE-OE1 3.38Å; R439-E443 WeakPolarHBondContact O-CG 3.27Å; R439-E443 PolarHBondContact O-N 3.24Å; S440-E443 PolarHBondContact O-N 2.91Å; E443-W445 VanDerWaalsContact C-N 3.31Å; E443-W445 PolarHBondContact O-N 3.4Å; E443-Q446 WeakPolarHBondContact O-CB 3.45Å; E443-Q446 PolarHBondContact O-N 3.46Å; E443-R447 WeakPolarHBondContact O-CG 3.22Å; E443-R447 PolarHBondContact O-N 3.22Å; E443-R447 IonicContact OE2-NH2 3.89Å; E443-R447 PolarHBondContact OE2-NH2 2.73Å
444	D	89.9	Confident	92.8	Very high	36 Å²	36	24.6 Å²	24.6	19%	0.193	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-42.3	175.2	-68.8	-10.1	0	0	0	111.6	R405 S440 Q446 R447 L448 Y599	R405-D444 IonicContact CZ-OD2 3.44Å; R405-D444 IonicContact NH2-OD1 2.72Å; R405-D444 IonicContact NH2-OD2 2.79Å; R405-D444 PolarHBondContact NH2-OD2 3.27Å; S440-D444 VanDerWaalsContact O-CG 3.23Å; S440-D444 PolarHBondContact O-N 3.41Å; D444-Q446 VanDerWaalsContact C-N 3.34Å; D444-Q446 PolarHBondContact O-N 2.84Å; D444-R447 PolarHBondContact O-N 3.48Å; D444-R447 IonicContact OD1-NH1 3.33Å; D444-R447 PolarHBondContact OD1-NH1 3.28Å; D444-L448 WeakPolarHBondContact O-CG 3.41Å; D444-L448 PolarHBondContact O-N 2.94Å; D444-Y599 HydrophobicContact CB-CE2 4.17Å
445	W	90	Very high	92.7	Very high	15 Å²	15	25 Å²	25	6%	0.057	11%	0.114	C	C	.	.	H	α-helix	trans	-60.6	-44.1	175.4	178.1	-108.3	0	0	0	111.7	L441 K442 E443 R447 L448 Q449 L558 Y599 K602 F606	L441-W445 WeakPolarHBondContact O-CB 3.4Å; L441-W445 PolarHBondContact O-N 3.17Å; K442-W445 WeakPolarHBondContact O-CB 3.49Å; K442-W445 PolarHBondContact O-N 2.66Å; E443-W445 VanDerWaalsContact C-N 3.31Å; E443-W445 PolarHBondContact O-N 3.4Å; W445-R447 VanDerWaalsContact C-N 3.34Å; W445-R447 PolarHBondContact O-N 2.97Å; W445-L448 PolarHBondContact O-N 2.92Å; W445-Q449 HydrophobicContact CD2-CG 4.39Å; W445-Q449 HydrophobicContact CZ2-CG 4.14Å; W445-Q449 VanDerWaalsContact NE1-NE2 3.18Å; W445-Q449 WeakPolarHBondContact O-CG 3.5Å; W445-Q449 PolarHBondContact O-N 3.41Å; W445-L558 HydrophobicContact CB-CD1 4.21Å; W445-L558 HydrophobicContact CG-CD1 4.33Å; W445-Y599 HydrophobicContact CB-CD2 4.29Å; W445-Y599 HydrophobicContact CB-CE2 3.94Å; W445-K602 HydrophobicContact CE3-CB 4.28Å; W445-K602 HydrophobicContact CH2-CB 3.78Å; W445-K602 HydrophobicContact CZ2-CB 4.25Å; W445-K602 HydrophobicContact CZ3-CB 3.8Å; W445-F606 HydrophobicContact CH2-CB 3.9Å; W445-F606 HydrophobicContact CH2-CD2 4.31Å; W445-F606 HydrophobicContact CH2-CG 4.5Å; W445-F606 HydrophobicContact CZ3-CB 3.81Å; W445-F606 HydrophobicContact CZ3-CD2 4.3Å; W445-F606 HydrophobicContact CZ3-CG 4.26Å
446	Q	90.3	Very high	92.6	Very high	83 Å²	83	25.4 Å²	25.4	39%	0.388	12%	0.117	S	C	.	.	H	α-helix	trans	-61	-41.2	176.8	-72	172.3	-24.1	0	0	112.1	K442 E443 D444 Q449 Q450	K442-Q446 WeakPolarHBondContact O-CG 3.37Å; K442-Q446 PolarHBondContact O-N 3.41Å; E443-Q446 WeakPolarHBondContact O-CB 3.45Å; E443-Q446 PolarHBondContact O-N 3.46Å; D444-Q446 VanDerWaalsContact C-N 3.34Å; D444-Q446 PolarHBondContact O-N 2.84Å; Q446-Q449 WeakPolarHBondContact O-CB 3.47Å; Q446-Q449 PolarHBondContact O-N 3.04Å; Q446-Q450 WeakPolarHBondContact O-CG 3.46Å; Q446-Q450 PolarHBondContact O-N 2.93Å
447	R	91.4	Very high	92.5	Very high	70 Å²	70	29.7 Å²	29.7	26%	0.264	14%	0.138	S	C	.	.	H	α-helix	trans	-63.9	-41.7	176.2	-67.1	175.2	-168	114.3	8.5	112.2	L316 L387 E443 D444 W445 Q449 Q450 G451	L316-R447 HydrophobicContact CD2-CB 4.09Å; L387-R447 HydrophobicContact CD2-CB 4.22Å; L387-R447 HydrophobicContact CD2-CG 4.36Å; E443-R447 WeakPolarHBondContact O-CG 3.22Å; E443-R447 PolarHBondContact O-N 3.22Å; E443-R447 IonicContact OE2-NH2 3.89Å; E443-R447 PolarHBondContact OE2-NH2 2.73Å; D444-R447 PolarHBondContact O-N 3.48Å; D444-R447 IonicContact OD1-NH1 3.33Å; D444-R447 PolarHBondContact OD1-NH1 3.28Å; W445-R447 VanDerWaalsContact C-N 3.34Å; W445-R447 PolarHBondContact O-N 2.97Å; R447-Q449 VanDerWaalsContact C-N 3.34Å; R447-Q449 PolarHBondContact O-N 3.07Å; R447-Q450 WeakPolarHBondContact O-CB 3.36Å; R447-Q450 PolarHBondContact O-N 3.44Å; R447-G451 PolarHBondContact O-N 3.45Å
448	L	91.7	Very high	92.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-42	174.5	-71.5	171.3	0	0	0	111.7	L316 M318 A321 D444 W445 Q450 G451 Q452 L603 F606	L316-L448 HydrophobicContact CD2-CD2 4.33Å; M318-L448 HydrophobicContact CE-CD2 4.41Å; A321-L448 HydrophobicContact CB-CD1 4.35Å; A321-L448 HydrophobicContact CB-CD2 3.87Å; D444-L448 WeakPolarHBondContact O-CG 3.41Å; D444-L448 PolarHBondContact O-N 2.94Å; W445-L448 PolarHBondContact O-N 2.92Å; L448-Q450 VanDerWaalsContact C-N 3.32Å; L448-Q450 PolarHBondContact O-N 3.37Å; L448-G451 PolarHBondContact O-N 2.93Å; L448-Q452 PolarHBondContact O-N 2.88Å; L448-L603 HydrophobicContact CD1-CD1 3.52Å; L448-F606 HydrophobicContact CB-CD2 4.49Å; L448-F606 HydrophobicContact CB-CE1 4.39Å; L448-F606 HydrophobicContact CB-CE2 3.94Å; L448-F606 HydrophobicContact CB-CZ 3.9Å; L448-F606 HydrophobicContact CD2-CE1 4.15Å; L448-F606 HydrophobicContact CD2-CZ 4.23Å; L448-F606 VanDerWaalsContact O-CE2 3.26Å; L448-F606 WeakPolarHBondContact O-CE2 3.39Å; L448-F606 WeakPolarHBondContact O-CZ 3.41Å
449	Q	90.6	Very high	92.6	Very high	26 Å²	26	29.7 Å²	29.7	12%	0.121	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-38.6	174.6	-69.9	-176.1	-49.2	0	0	112.3	W445 Q446 R447 Q452 K453 W552	W445-Q449 HydrophobicContact CD2-CG 4.39Å; W445-Q449 HydrophobicContact CZ2-CG 4.14Å; W445-Q449 VanDerWaalsContact NE1-NE2 3.18Å; W445-Q449 WeakPolarHBondContact O-CG 3.5Å; W445-Q449 PolarHBondContact O-N 3.41Å; Q446-Q449 WeakPolarHBondContact O-CB 3.47Å; Q446-Q449 PolarHBondContact O-N 3.04Å; R447-Q449 VanDerWaalsContact C-N 3.34Å; R447-Q449 PolarHBondContact O-N 3.07Å; Q449-Q452 PolarHBondContact O-N 3.49Å; Q449-K453 WeakPolarHBondContact O-CG 3.41Å; Q449-K453 PolarHBondContact O-N 3.34Å; Q449-W552 PolarHBondContact NE2-O 3.29Å
450	Q	91.9	Very high	92.6	Very high	57 Å²	57	31.2 Å²	31.2	27%	0.266	15%	0.147	S	C	.	.	H	α-helix	trans	-62.4	-44.4	173.9	-72.1	167.1	-16.1	0	0	111.3	F389 Q446 R447 L448 Q452 K453 A454	F389-Q450 HydrophobicContact CE1-CB 4.14Å; F389-Q450 HydrophobicContact CZ-CB 3.71Å; Q446-Q450 WeakPolarHBondContact O-CG 3.46Å; Q446-Q450 PolarHBondContact O-N 2.93Å; R447-Q450 WeakPolarHBondContact O-CB 3.36Å; R447-Q450 PolarHBondContact O-N 3.44Å; L448-Q450 VanDerWaalsContact C-N 3.32Å; L448-Q450 PolarHBondContact O-N 3.37Å; Q450-Q452 PolarHBondContact O-N 2.95Å; Q450-K453 WeakPolarHBondContact O-CB 3.45Å; Q450-K453 PolarHBondContact O-N 3.47Å; Q450-A454 PolarHBondContact O-N 3.04Å
451	G	93.8	Very high	92.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-42.8	177.3	0	0	0	0	0	112.8	F391 R447 L448 K453 A454 A455	F391-G451 WeakPolarHBondContact CZ-O 3.22Å; R447-G451 PolarHBondContact O-N 3.45Å; L448-G451 PolarHBondContact O-N 2.93Å; G451-K453 VanDerWaalsContact C-N 3.34Å; G451-K453 PolarHBondContact O-N 3.29Å; G451-A454 WeakPolarHBondContact O-CB 3.49Å; G451-A454 PolarHBondContact O-N 2.96Å; G451-A455 PolarHBondContact O-N 3Å
452	Q	92.5	Very high	92.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-39.1	174.2	178	61.8	30.3	0	0	112.7	L448 Q449 Q450 A455 I456 W552 F606 L610 T613	L448-Q452 PolarHBondContact O-N 2.88Å; Q449-Q452 PolarHBondContact O-N 3.49Å; Q450-Q452 PolarHBondContact O-N 2.95Å; Q452-A455 PolarHBondContact O-N 3.43Å; Q452-I456 HydrophobicContact CG-CD1 4.26Å; Q452-I456 WeakPolarHBondContact O-CG1 3.41Å; Q452-I456 PolarHBondContact O-N 3.08Å; Q452-W552 HydrophobicContact CB-CZ3 4.34Å; Q452-W552 HydrophobicContact CG-CE3 4.3Å; Q452-W552 HydrophobicContact CG-CH2 3.32Å; Q452-W552 HydrophobicContact CG-CZ2 4.33Å; Q452-W552 HydrophobicContact CG-CZ3 3.31Å; Q452-F606 HydrophobicContact CB-CE2 3.61Å; Q452-F606 HydrophobicContact CB-CZ 4.1Å; Q452-F606 HydrophobicContact CG-CE2 4.24Å; Q452-L610 VanDerWaalsContact OE1-CA 3.29Å; Q452-T613 PolarHBondContact NE2-OG1 3Å
453	K	92.8	Very high	93.1	Very high	111 Å²	111	35.8 Å²	35.8	48%	0.483	16%	0.164	S	C	.	.	H	α-helix	trans	-62.7	-43.8	172.5	-73.9	173.8	-178	-179.7	0	111.4	Q449 Q450 G451 A455 I456 M457	Q449-K453 WeakPolarHBondContact O-CG 3.41Å; Q449-K453 PolarHBondContact O-N 3.34Å; Q450-K453 WeakPolarHBondContact O-CB 3.45Å; Q450-K453 PolarHBondContact O-N 3.47Å; G451-K453 VanDerWaalsContact C-N 3.34Å; G451-K453 PolarHBondContact O-N 3.29Å; K453-A455 VanDerWaalsContact C-N 3.32Å; K453-A455 PolarHBondContact O-N 3.04Å; K453-I456 PolarHBondContact O-N 3.34Å; K453-M457 WeakPolarHBondContact O-CB 3.45Å; K453-M457 VanDerWaalsContact O-CG 3.26Å; K453-M457 WeakPolarHBondContact O-CG 3.25Å; K453-M457 PolarHBondContact O-N 3.33Å
454	A	94.8	Very high	93.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-43	176.1	0	0	0	0	0	111.6	L355 L356 G359 F389 Q450 G451 M457 S458	L355-A454 HydrophobicContact CB-CB 4.39Å; L356-A454 WeakPolarHBondContact O-CB 3.49Å; G359-A454 VanDerWaalsContact CA-O 3.24Å; G359-A454 WeakPolarHBondContact CA-O 3.3Å; F389-A454 HydrophobicContact CD2-CB 3.83Å; F389-A454 HydrophobicContact CE2-CB 4.16Å; Q450-A454 PolarHBondContact O-N 3.04Å; G451-A454 WeakPolarHBondContact O-CB 3.49Å; G451-A454 PolarHBondContact O-N 2.96Å; A454-M457 PolarHBondContact O-N 3.33Å; A454-S458 WeakPolarHBondContact O-CB 3.43Å; A454-S458 PolarHBondContact O-N 3.12Å
455	A	94.6	Very high	93.5	Very high	11 Å²	11	38.4 Å²	38.4	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-44.3	174.9	0	0	0	0	0	112.5	F391 G451 Q452 K453 S458 L459 T613	F391-A455 HydrophobicContact CE1-CB 3.85Å; F391-A455 HydrophobicContact CE2-CB 4.45Å; F391-A455 HydrophobicContact CZ-CB 3.7Å; G451-A455 PolarHBondContact O-N 3Å; Q452-A455 PolarHBondContact O-N 3.43Å; K453-A455 VanDerWaalsContact C-N 3.32Å; K453-A455 PolarHBondContact O-N 3.04Å; A455-S458 PolarHBondContact O-N 2.91Å; A455-L459 WeakPolarHBondContact O-CB 3.42Å; A455-L459 PolarHBondContact O-N 3.06Å; A455-T613 HydrophobicContact CB-CG2 4.2Å
456	I	94.3	Very high	93.8	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.067	18%	0.183	C	C	.	.	H	α-helix	trans	-65.1	-42.9	176.7	-68.7	169	0	0	0	111	Q452 K453 S458 L459 L460 V547 W552 T613	Q452-I456 HydrophobicContact CG-CD1 4.26Å; Q452-I456 WeakPolarHBondContact O-CG1 3.41Å; Q452-I456 PolarHBondContact O-N 3.08Å; K453-I456 PolarHBondContact O-N 3.34Å; I456-S458 VanDerWaalsContact C-N 3.3Å; I456-S458 PolarHBondContact O-N 3.37Å; I456-L459 WeakPolarHBondContact O-CB 2.96Å; I456-L459 PolarHBondContact O-N 3.4Å; I456-L460 HydrophobicContact CG2-CD1 3.88Å; I456-L460 HydrophobicContact CG2-CG 4.16Å; I456-L460 WeakPolarHBondContact O-CB 3.32Å; I456-L460 VanDerWaalsContact O-CG 3.28Å; I456-L460 WeakPolarHBondContact O-CG 3.46Å; I456-L460 PolarHBondContact O-N 3.42Å; I456-V547 HydrophobicContact CD1-CG1 4.01Å; I456-V547 HydrophobicContact CG1-CG1 3.92Å; I456-W552 HydrophobicContact CD1-CH2 3.62Å; I456-W552 HydrophobicContact CD1-CZ2 3.16Å; I456-T613 HydrophobicContact CG1-CG2 3.88Å
457	M	94.6	Very high	94	Very high	96 Å²	96	35.4 Å²	35.4	47%	0.473	18%	0.176	S	C	.	.	H	α-helix	trans	-61.6	-40.9	176.8	-71	-62.9	-69.4	0	0	111.4	K453 A454 R461	K453-M457 WeakPolarHBondContact O-CB 3.45Å; K453-M457 VanDerWaalsContact O-CG 3.26Å; K453-M457 WeakPolarHBondContact O-CG 3.25Å; K453-M457 PolarHBondContact O-N 3.33Å; A454-M457 PolarHBondContact O-N 3.33Å; M457-R461 PolarHBondContact O-N 3.12Å; M457-R461 VanDerWaalsContact O-N 3.12Å
458	S	95.5	Very high	94.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-49.1	172.5	179.6	0	0	0	0	111.2	A454 A455 I456 L460 R461 H462 R617	A454-S458 WeakPolarHBondContact O-CB 3.43Å; A454-S458 PolarHBondContact O-N 3.12Å; A455-S458 PolarHBondContact O-N 2.91Å; I456-S458 VanDerWaalsContact C-N 3.3Å; I456-S458 PolarHBondContact O-N 3.37Å; S458-L460 PolarHBondContact O-N 3.09Å; S458-R461 PolarHBondContact O-N 3.41Å; S458-H462 PolarHBondContact O-N 3.06Å; S458-H462 VanDerWaalsContact O-N 3.13Å; S458-H462 PolarHBondContact O-ND1 3.44Å; S458-R617 PolarHBondContact OG-NH1 2.74Å; S458-R617 VanDerWaalsContact OG-NH1 3.1Å
459	L	95.2	Very high	94.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-55.1	-48.1	175.7	169	62.4	0	0	0	112.1	A455 I456 R461 H462 N463 T613 C616 R617 V620	A455-L459 WeakPolarHBondContact O-CB 3.42Å; A455-L459 PolarHBondContact O-N 3.06Å; I456-L459 WeakPolarHBondContact O-CB 2.96Å; I456-L459 PolarHBondContact O-N 3.4Å; L459-R461 VanDerWaalsContact C-N 3.29Å; L459-R461 PolarHBondContact O-N 3.4Å; L459-H462 PolarHBondContact O-N 2.84Å; L459-N463 WeakPolarHBondContact O-CB 3.46Å; L459-N463 PolarHBondContact O-N 3.28Å; L459-T613 HydrophobicContact CD2-CG2 4.14Å; L459-C616 HydrophobicContact CD1-CB 4.09Å; L459-C616 HydrophobicContact CD2-CB 3.8Å; L459-R617 HydrophobicContact CD1-CB 4.08Å; L459-V620 HydrophobicContact CD1-CG2 3.92Å
460	L	95.1	Very high	94.5	Very high	48 Å²	48	41.1 Å²	41.1	25%	0.251	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-34.1	-178.8	-70.3	175.5	0	0	0	112.2	I456 S458 S464 I544	I456-L460 HydrophobicContact CG2-CD1 3.88Å; I456-L460 HydrophobicContact CG2-CG 4.16Å; I456-L460 WeakPolarHBondContact O-CB 3.32Å; I456-L460 VanDerWaalsContact O-CG 3.28Å; I456-L460 WeakPolarHBondContact O-CG 3.46Å; I456-L460 PolarHBondContact O-N 3.42Å; S458-L460 PolarHBondContact O-N 3.09Å; L460-S464 WeakPolarHBondContact O-CB 3.49Å; L460-S464 PolarHBondContact O-N 3.43Å; L460-I544 HydrophobicContact CD2-CG2 3.95Å
461	R	95	Very high	94.6	Very high	100 Å²	100	44 Å²	44	38%	0.377	22%	0.219	S	C	.	.	H	α-helix	trans	-65.7	-45	174.5	-169.1	-179.1	-65.4	126.7	5.2	111.6	A358 G359 L360 M457 S458 L459 S464 T465	A358-R461 PolarHBondContact O-NH2 2.84Å; G359-R461 PolarHBondContact O-NH1 2.93Å; L360-R461 VanDerWaalsContact CD2-CZ 3.45Å; L360-R461 VanDerWaalsContact CD2-NH1 3.3Å; M457-R461 PolarHBondContact O-N 3.12Å; M457-R461 VanDerWaalsContact O-N 3.12Å; S458-R461 PolarHBondContact O-N 3.41Å; L459-R461 VanDerWaalsContact C-N 3.29Å; L459-R461 PolarHBondContact O-N 3.4Å; R461-S464 PolarHBondContact O-N 3.37Å; R461-T465 PolarHBondContact O-N 3.25Å; R461-T465 VanDerWaalsContact O-N 3.16Å; R461-T465 PolarHBondContact O-OG1 3.32Å; R461-T465 VanDerWaalsContact O-OG1 3.11Å
462	H	94.2	Very high	94.7	Very high	42 Å²	42	49.1 Å²	49.1	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-43.3	175.8	-65.9	94.4	0	0	0	111.3	S458 L459 S464 T465 L466 R617 V620 M621	S458-H462 PolarHBondContact O-N 3.06Å; S458-H462 VanDerWaalsContact O-N 3.13Å; S458-H462 PolarHBondContact O-ND1 3.44Å; L459-H462 PolarHBondContact O-N 2.84Å; H462-S464 VanDerWaalsContact C-N 3.29Å; H462-S464 PolarHBondContact O-N 3.24Å; H462-T465 WeakPolarHBondContact O-CB 3.41Å; H462-T465 PolarHBondContact O-N 3.37Å; H462-T465 VanDerWaalsContact O-N 3.11Å; H462-L466 WeakPolarHBondContact O-CB 3.41Å; H462-L466 PolarHBondContact O-N 3.02Å; H462-R617 PolarHBondContact CE1-NH1 2.92Å; H462-V620 HydrophobicContact CB-CG1 3.62Å; H462-M621 HydrophobicContact CB-SD 4.48Å; H462-M621 PolarHBondContact CD2-SD 3Å
463	N	95.7	Very high	94.8	Very high	14 Å²	14	49.1 Å²	49.1	8%	0.075	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-35.3	176.6	-172.8	51.2	0	0	0	112.5	L459 S467 Q541 I544 V620	L459-N463 WeakPolarHBondContact O-CB 3.46Å; L459-N463 PolarHBondContact O-N 3.28Å; N463-S467 VanDerWaalsContact O-CB 3.27Å; N463-S467 WeakPolarHBondContact O-CB 3.48Å; N463-S467 PolarHBondContact O-N 2.9Å; N463-S467 PolarHBondContact O-OG 3.21Å; N463-Q541 PolarHBondContact ND2-OE1 2.85Å; N463-Q541 VanDerWaalsContact ND2-OE1 3.13Å; N463-Q541 PolarHBondContact OD1-NE2 3.46Å; N463-I544 HydrophobicContact CB-CD1 4.03Å; N463-I544 VanDerWaalsContact CG-CD1 3.46Å; N463-I544 WeakPolarHBondContact OD1-CD1 3.3Å; N463-V620 HydrophobicContact CB-CG2 4.47Å
464	S	95.7	Very high	94.9	Very high	57 Å²	57	44.9 Å²	44.9	40%	0.399	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-43	173.9	-176.6	0	0	0	0	111.6	L460 R461 H462 S467 K468	L460-S464 WeakPolarHBondContact O-CB 3.49Å; L460-S464 PolarHBondContact O-N 3.43Å; R461-S464 PolarHBondContact O-N 3.37Å; H462-S464 VanDerWaalsContact C-N 3.29Å; H462-S464 PolarHBondContact O-N 3.24Å; S464-S467 PolarHBondContact O-N 3.48Å; S464-K468 WeakPolarHBondContact O-CG 3.2Å; S464-K468 PolarHBondContact O-N 2.87Å; S464-K468 VanDerWaalsContact O-N 3.08Å
465	T	95.1	Very high	94.9	Very high	61 Å²	61	47.8 Å²	47.8	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-48.8	176.4	-54.1	0	0	0	0	110.9	R461 H462 S467 K468 Q469 L624	R461-T465 PolarHBondContact O-N 3.25Å; R461-T465 VanDerWaalsContact O-N 3.16Å; R461-T465 PolarHBondContact O-OG1 3.32Å; R461-T465 VanDerWaalsContact O-OG1 3.11Å; H462-T465 WeakPolarHBondContact O-CB 3.41Å; H462-T465 PolarHBondContact O-N 3.37Å; H462-T465 VanDerWaalsContact O-N 3.11Å; T465-S467 VanDerWaalsContact C-N 3.29Å; T465-S467 PolarHBondContact O-N 3Å; T465-K468 WeakPolarHBondContact O-CB 3.3Å; T465-K468 PolarHBondContact O-N 3.34Å; T465-K468 VanDerWaalsContact O-N 3.13Å; T465-Q469 PolarHBondContact O-N 3.03Å; T465-L624 HydrophobicContact CG2-CD1 4.39Å
466	L	95.3	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-41.8	176.7	180	60.2	0	0	0	111.7	H462 K468 Q469 K470 M537 V620 L623 L624 V627	H462-L466 WeakPolarHBondContact O-CB 3.41Å; H462-L466 PolarHBondContact O-N 3.02Å; L466-K468 PolarHBondContact O-N 3.34Å; L466-Q469 PolarHBondContact O-N 3Å; L466-K470 PolarHBondContact O-N 3.03Å; L466-M537 HydrophobicContact CD1-CE 3.38Å; L466-M537 HydrophobicContact CD1-SD 4.32Å; L466-M537 HydrophobicContact CD2-CE 3.95Å; L466-M537 HydrophobicContact CG-CE 3.32Å; L466-M537 WeakPolarHBondContact O-CE 3.42Å; L466-V620 HydrophobicContact CB-CG1 4.26Å; L466-V620 HydrophobicContact CD2-CB 4.25Å; L466-V620 HydrophobicContact CD2-CG1 3.91Å; L466-V620 HydrophobicContact CD2-CG2 4.16Å; L466-L623 HydrophobicContact CD1-CB 4.09Å; L466-L623 HydrophobicContact CD2-CB 4.15Å; L466-L623 HydrophobicContact CD2-CD1 4.39Å; L466-L624 HydrophobicContact CB-CD1 3.86Å; L466-L624 HydrophobicContact CD1-CD1 4.24Å; L466-V627 HydrophobicContact CD1-CG2 4.11Å
467	S	95.4	Very high	95	Very high	34 Å²	34	50.4 Å²	50.4	24%	0.238	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-37.6	177.9	-63.4	0	0	0	0	112.6	N463 S464 T465 K470 I471	N463-S467 VanDerWaalsContact O-CB 3.27Å; N463-S467 WeakPolarHBondContact O-CB 3.48Å; N463-S467 PolarHBondContact O-N 2.9Å; N463-S467 PolarHBondContact O-OG 3.21Å; S464-S467 PolarHBondContact O-N 3.48Å; T465-S467 VanDerWaalsContact C-N 3.29Å; T465-S467 PolarHBondContact O-N 3Å; S467-K470 WeakPolarHBondContact O-CB 3.37Å; S467-K470 PolarHBondContact O-N 2.91Å; S467-I471 WeakPolarHBondContact O-CG1 3.39Å; S467-I471 PolarHBondContact O-N 2.76Å
468	K	95.5	Very high	94.9	Very high	142 Å²	142	51.9 Å²	51.9	62%	0.617	26%	0.26	S	S	*	.	H	α-helix	trans	-64.6	-48	174.6	-72	174.3	-178.8	-179.1	0	111.2	S464 T465 L466 K470 I471 E472	S464-K468 WeakPolarHBondContact O-CG 3.2Å; S464-K468 PolarHBondContact O-N 2.87Å; S464-K468 VanDerWaalsContact O-N 3.08Å; T465-K468 WeakPolarHBondContact O-CB 3.3Å; T465-K468 PolarHBondContact O-N 3.34Å; T465-K468 VanDerWaalsContact O-N 3.13Å; L466-K468 PolarHBondContact O-N 3.34Å; K468-K470 VanDerWaalsContact C-N 3.28Å; K468-K470 PolarHBondContact O-N 3.33Å; K468-I471 PolarHBondContact O-N 2.84Å; K468-E472 PolarHBondContact O-N 3.24Å; K468-E472 VanDerWaalsContact O-N 3.08Å
469	Q	94	Very high	94.8	Very high	34 Å²	34	57.1 Å²	57.1	16%	0.159	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-35.2	177	-72.6	179.5	-28.5	0	0	112.1	T465 L466 E472 M473 V627 E628	T465-Q469 PolarHBondContact O-N 3.03Å; L466-Q469 PolarHBondContact O-N 3Å; Q469-E472 PolarHBondContact O-N 2.89Å; Q469-M473 VanDerWaalsContact O-CB 3.31Å; Q469-M473 WeakPolarHBondContact O-CB 3.5Å; Q469-M473 PolarHBondContact O-N 3.1Å; Q469-V627 HydrophobicContact CB-CG1 3.76Å; Q469-E628 VanDerWaalsContact NE2-CG 3.25Å; Q469-E628 PolarHBondContact NE2-OE1 2.97Å
470	K	94	Very high	94.8	Very high	43 Å²	43	57.2 Å²	57.2	19%	0.187	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-50.4	172.4	-164.5	-169.5	65.6	157	0	112.2	L466 S467 K468 E472 M473 V474 E534 M537	L466-K470 PolarHBondContact O-N 3.03Å; S467-K470 WeakPolarHBondContact O-CB 3.37Å; S467-K470 PolarHBondContact O-N 2.91Å; K468-K470 VanDerWaalsContact C-N 3.28Å; K468-K470 PolarHBondContact O-N 3.33Å; K470-E472 VanDerWaalsContact C-N 3.28Å; K470-E472 PolarHBondContact O-N 3.4Å; K470-M473 PolarHBondContact O-N 2.84Å; K470-V474 HydrophobicContact CG-CG2 4.48Å; K470-V474 WeakPolarHBondContact O-CG2 3.4Å; K470-V474 PolarHBondContact O-N 3.02Å; K470-E534 HydrophobicContact CD-CG 4.45Å; K470-M537 HydrophobicContact CB-CE 3.43Å; K470-M537 VanDerWaalsContact CB-CE 3.43Å; K470-M537 HydrophobicContact CB-SD 4.05Å; K470-M537 HydrophobicContact CD-CB 4.21Å; K470-M537 HydrophobicContact CD-CE 3.84Å; K470-M537 HydrophobicContact CD-SD 4.03Å; K470-M537 HydrophobicContact CG-CE 3.65Å; K470-M537 HydrophobicContact CG-SD 3.7Å
471	I	94.8	Very high	94.7	Very high	117 Å²	117	57 Å²	57	60%	0.6	28%	0.281	S	S	*	.	H	α-helix	trans	-61.4	-43.4	-177.3	-68.4	165	0	0	0	109.5	S467 K468 S475	S467-I471 WeakPolarHBondContact O-CG1 3.39Å; S467-I471 PolarHBondContact O-N 2.76Å; K468-I471 PolarHBondContact O-N 2.84Å; I471-S475 VanDerWaalsContact O-CB 3.27Å; I471-S475 WeakPolarHBondContact O-CB 3.14Å; I471-S475 PolarHBondContact O-N 2.84Å
472	E	94.8	Very high	94.6	Very high	107 Å²	107	55.2 Å²	55.2	50%	0.5	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-49.2	175	-177	171.9	-165.5	0	0	112.1	K468 Q469 K470 V474 S475 M476	K468-E472 PolarHBondContact O-N 3.24Å; K468-E472 VanDerWaalsContact O-N 3.08Å; Q469-E472 PolarHBondContact O-N 2.89Å; K470-E472 VanDerWaalsContact C-N 3.28Å; K470-E472 PolarHBondContact O-N 3.4Å; E472-V474 PolarHBondContact O-N 2.82Å; E472-S475 PolarHBondContact O-N 3.21Å; E472-M476 HydrophobicContact CG-CG 4.44Å; E472-M476 HydrophobicContact CG-SD 3.95Å; E472-M476 WeakPolarHBondContact O-CB 3.13Å; E472-M476 WeakPolarHBondContact O-CG 3.4Å; E472-M476 PolarHBondContact O-N 2.88Å
473	M	95.6	Very high	94.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-50.3	177.9	-175.7	-171.6	61	0	0	111.9	Q469 K470 S475 M476 Y477 V530 L533 V627 V630 V631 L634	Q469-M473 VanDerWaalsContact O-CB 3.31Å; Q469-M473 WeakPolarHBondContact O-CB 3.5Å; Q469-M473 PolarHBondContact O-N 3.1Å; K470-M473 PolarHBondContact O-N 2.84Å; M473-S475 VanDerWaalsContact C-N 3.34Å; M473-S475 PolarHBondContact O-N 2.88Å; M473-M476 PolarHBondContact O-N 2.85Å; M473-Y477 WeakPolarHBondContact O-CB 3.4Å; M473-Y477 PolarHBondContact O-N 3.1Å; M473-V530 HydrophobicContact CE-CG1 3.92Å; M473-V530 HydrophobicContact CG-CG1 4.21Å; M473-V530 HydrophobicContact CG-CG2 4.22Å; M473-V530 HydrophobicContact SD-CG1 4.32Å; M473-V530 HydrophobicContact SD-CG2 4.35Å; M473-L533 HydrophobicContact CE-CB 4.19Å; M473-L533 HydrophobicContact SD-CD1 4.16Å; M473-V627 HydrophobicContact CB-CG1 4.22Å; M473-V627 HydrophobicContact SD-CG1 4.05Å; M473-V630 HydrophobicContact CG-CG1 4.01Å; M473-V630 HydrophobicContact SD-CB 4.13Å; M473-V630 HydrophobicContact SD-CG1 3.77Å; M473-V631 HydrophobicContact CB-CG2 3.64Å; M473-V631 HydrophobicContact CG-CG2 4.06Å; M473-L634 HydrophobicContact CG-CD1 4.02Å
474	V	94.5	Very high	94.6	Very high	22 Å²	22	56.5 Å²	56.5	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-41.9	180	172.9	0	0	0	0	110.7	K470 E472 Y477 Q478 V530 E534	K470-V474 HydrophobicContact CG-CG2 4.48Å; K470-V474 WeakPolarHBondContact O-CG2 3.4Å; K470-V474 PolarHBondContact O-N 3.02Å; E472-V474 PolarHBondContact O-N 2.82Å; V474-Y477 PolarHBondContact O-N 3.41Å; V474-Q478 WeakPolarHBondContact O-CG 3.25Å; V474-Q478 PolarHBondContact O-N 3.18Å; V474-V530 HydrophobicContact CG2-CG1 4.39Å; V474-E534 HydrophobicContact CG2-CG 4.49Å
475	S	95.1	Very high	94.5	Very high	62 Å²	62	58.2 Å²	58.2	43%	0.434	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-45.9	177	-177.4	0	0	0	0	112.2	I471 E472 M473 Y477 Q478 R479	I471-S475 VanDerWaalsContact O-CB 3.27Å; I471-S475 WeakPolarHBondContact O-CB 3.14Å; I471-S475 PolarHBondContact O-N 2.84Å; E472-S475 PolarHBondContact O-N 3.21Å; M473-S475 VanDerWaalsContact C-N 3.34Å; M473-S475 PolarHBondContact O-N 2.88Å; S475-Y477 VanDerWaalsContact C-N 3.34Å; S475-Y477 PolarHBondContact O-N 2.71Å; S475-Q478 PolarHBondContact O-N 3.21Å; S475-R479 PolarHBondContact O-N 3.5Å
476	M	94.5	Very high	94.5	Very high	15 Å²	15	61.9 Å²	61.9	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-41.4	176.8	-74.4	179.4	64.7	0	0	111.9	E472 M473 R479 L480 V631 L634 A635	E472-M476 HydrophobicContact CG-CG 4.44Å; E472-M476 HydrophobicContact CG-SD 3.95Å; E472-M476 WeakPolarHBondContact O-CB 3.13Å; E472-M476 WeakPolarHBondContact O-CG 3.4Å; E472-M476 PolarHBondContact O-N 2.88Å; M473-M476 PolarHBondContact O-N 2.85Å; M476-R479 PolarHBondContact O-N 3.16Å; M476-L480 WeakPolarHBondContact O-CB 3.3Å; M476-L480 PolarHBondContact O-N 3.35Å; M476-V631 HydrophobicContact CE-CG1 4.35Å; M476-V631 WeakPolarHBondContact CE-O 3.27Å; M476-V631 HydrophobicContact SD-CG1 3.86Å; M476-L634 HydrophobicContact CB-CB 4.39Å; M476-L634 HydrophobicContact CB-CD1 4.15Å; M476-L634 HydrophobicContact CE-CB 3.97Å; M476-A635 HydrophobicContact CE-CB 3.78Å
477	Y	94.8	Very high	94.5	Very high	63 Å²	63	62 Å²	62	25%	0.247	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-46.8	176.8	-179.7	-113.5	0	0	0	111.9	M473 V474 S475 R479 L480 T481 A528 V530 L634	M473-Y477 WeakPolarHBondContact O-CB 3.4Å; M473-Y477 PolarHBondContact O-N 3.1Å; V474-Y477 PolarHBondContact O-N 3.41Å; S475-Y477 VanDerWaalsContact C-N 3.34Å; S475-Y477 PolarHBondContact O-N 2.71Å; Y477-R479 VanDerWaalsContact C-N 3.32Å; Y477-R479 PolarHBondContact O-N 3.46Å; Y477-L480 PolarHBondContact O-N 3.47Å; Y477-T481 PolarHBondContact O-N 3.01Å; Y477-T481 PolarHBondContact O-OG1 2.97Å; Y477-A528 HydrophobicContact CD2-CB 4.32Å; Y477-A528 HydrophobicContact CE2-CB 4.28Å; Y477-V530 HydrophobicContact CD1-CB 4.1Å; Y477-V530 HydrophobicContact CD1-CG1 3.93Å; Y477-V530 HydrophobicContact CD1-CG2 4.46Å; Y477-V530 HydrophobicContact CD2-CB 4.18Å; Y477-V530 HydrophobicContact CD2-CG2 3.73Å; Y477-V530 HydrophobicContact CE1-CB 4.49Å; Y477-V530 HydrophobicContact CE2-CG2 4.36Å; Y477-V530 HydrophobicContact CG-CB 3.93Å; Y477-V530 HydrophobicContact CG-CG1 3.91Å; Y477-V530 HydrophobicContact CG-CG2 3.78Å; Y477-L634 HydrophobicContact CD2-CD2 3.93Å
478	Q	93.4	Very high	94.4	Very high	127 Å²	127	62 Å²	62	59%	0.593	31%	0.307	S	S	*	.	H	α-helix	trans	-59.2	-42.8	175.7	-72.7	173.7	-4.3	0	0	111.9	V474 S475 T481 A482	V474-Q478 WeakPolarHBondContact O-CG 3.25Å; V474-Q478 PolarHBondContact O-N 3.18Å; S475-Q478 PolarHBondContact O-N 3.21Å; Q478-T481 PolarHBondContact O-N 3.41Å; Q478-A482 PolarHBondContact O-N 3.05Å
479	R	94.2	Very high	94.4	Very high	111 Å²	111	59.5 Å²	59.5	42%	0.419	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-44.2	176	-176.9	173	70.6	-144.3	-1.6	111.9	S475 M476 Y477 A482 K483 E638	S475-R479 PolarHBondContact O-N 3.5Å; M476-R479 PolarHBondContact O-N 3.16Å; Y477-R479 VanDerWaalsContact C-N 3.32Å; Y477-R479 PolarHBondContact O-N 3.46Å; R479-A482 PolarHBondContact O-N 3.36Å; R479-K483 HydrophobicContact CG-CD 4.41Å; R479-K483 WeakPolarHBondContact O-CG 3.4Å; R479-K483 PolarHBondContact O-N 3.21Å; R479-E638 IonicContact CZ-OE1 3.31Å; R479-E638 IonicContact CZ-OE2 3.15Å; R479-E638 IonicContact NE-OE1 3.33Å; R479-E638 PolarHBondContact NE-OE1 2.96Å; R479-E638 IonicContact NE-OE2 2.64Å; R479-E638 PolarHBondContact NE-OE2 3.16Å; R479-E638 IonicContact NH2-OE1 3.43Å; R479-E638 IonicContact NH2-OE2 2.65Å; R479-E638 PolarHBondContact NH2-OE2 3.06Å
480	L	94	Very high	94.5	Very high	2 Å²	2	59 Å²	59	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-45.1	178.6	-179.2	61.2	0	0	0	111.2	M476 Y477 A482 K483 L484 C525 L634 E638 L641	M476-L480 WeakPolarHBondContact O-CB 3.3Å; M476-L480 PolarHBondContact O-N 3.35Å; Y477-L480 PolarHBondContact O-N 3.47Å; L480-A482 PolarHBondContact O-N 3.33Å; L480-K483 PolarHBondContact O-N 3.29Å; L480-L484 VanDerWaalsContact O-CB 3.3Å; L480-L484 WeakPolarHBondContact O-CB 3.36Å; L480-L484 PolarHBondContact O-N 2.75Å; L480-C525 WeakPolarHBondContact CD2-O 3.31Å; L480-L634 HydrophobicContact CD2-CD2 3.64Å; L480-E638 HydrophobicContact CD1-CB 4.09Å; L480-L641 HydrophobicContact CD1-CD2 4.07Å
481	T	93.2	Very high	94.5	Very high	45 Å²	45	57 Å²	57	28%	0.276	30%	0.295	S	S	.	.	H	α-helix	trans	-59.1	-46.6	176.1	-58.5	0	0	0	0	111.3	Y477 Q478 K483 L484 D485	Y477-T481 PolarHBondContact O-N 3.01Å; Y477-T481 PolarHBondContact O-OG1 2.97Å; Q478-T481 PolarHBondContact O-N 3.41Å; T481-K483 VanDerWaalsContact C-N 3.35Å; T481-K483 PolarHBondContact O-N 3.42Å; T481-L484 WeakPolarHBondContact O-CB 3.25Å; T481-L484 PolarHBondContact O-N 3.31Å; T481-L484 VanDerWaalsContact O-N 3.14Å; T481-D485 PolarHBondContact O-N 3.03Å
482	A	93.9	Very high	94.4	Very high	62 Å²	62	55.2 Å²	55.2	51%	0.512	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-40.8	176.9	0	0	0	0	0	112.7	Q478 R479 L480 L484 F486	Q478-A482 PolarHBondContact O-N 3.05Å; R479-A482 PolarHBondContact O-N 3.36Å; L480-A482 PolarHBondContact O-N 3.33Å; A482-L484 VanDerWaalsContact C-N 3.34Å; A482-F486 WeakPolarHBondContact O-CB 3.43Å; A482-F486 PolarHBondContact O-N 2.95Å; A482-F486 VanDerWaalsContact O-N 3.07Å
483	K	94.4	Very high	94.4	Very high	64 Å²	64	54.6 Å²	54.6	28%	0.278	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-37.6	174.4	-74.9	-178.8	172.8	-168.8	0	112	R479 L480 T481 F486 F487 E638 L641 M642	R479-K483 HydrophobicContact CG-CD 4.41Å; R479-K483 WeakPolarHBondContact O-CG 3.4Å; R479-K483 PolarHBondContact O-N 3.21Å; L480-K483 PolarHBondContact O-N 3.29Å; T481-K483 VanDerWaalsContact C-N 3.35Å; T481-K483 PolarHBondContact O-N 3.42Å; K483-F486 PolarHBondContact O-N 3.4Å; K483-F487 WeakPolarHBondContact O-CB 3.44Å; K483-F487 PolarHBondContact O-N 2.97Å; K483-E638 HydrophobicContact CD-CG 4.21Å; K483-E638 WeakPolarHBondContact CE-OE1 3.36Å; K483-E638 IonicContact NZ-OE1 2.71Å; K483-E638 PolarHBondContact NZ-OE1 3.23Å; K483-L641 HydrophobicContact CB-CD2 3.7Å; K483-M642 HydrophobicContact CD-SD 4.02Å
484	L	94.3	Very high	94.2	Very high	19 Å²	19	56 Å²	56	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-45	179.1	-177.1	63.8	0	0	0	110.8	L480 T481 A482 F486 F487 N488 A522 L641	L480-L484 VanDerWaalsContact O-CB 3.3Å; L480-L484 WeakPolarHBondContact O-CB 3.36Å; L480-L484 PolarHBondContact O-N 2.75Å; T481-L484 WeakPolarHBondContact O-CB 3.25Å; T481-L484 PolarHBondContact O-N 3.31Å; T481-L484 VanDerWaalsContact O-N 3.14Å; A482-L484 VanDerWaalsContact C-N 3.34Å; L484-F486 VanDerWaalsContact C-N 3.32Å; L484-F486 PolarHBondContact O-N 3.04Å; L484-F487 PolarHBondContact O-N 3.31Å; L484-N488 WeakPolarHBondContact O-CB 3.37Å; L484-N488 VanDerWaalsContact O-CG 3.28Å; L484-N488 PolarHBondContact O-N 3.1Å; L484-N488 PolarHBondContact O-ND2 3Å; L484-A522 HydrophobicContact CD1-CB 3.69Å; L484-A522 WeakPolarHBondContact CD1-O 3.21Å; L484-L641 HydrophobicContact CB-CD2 4.15Å; L484-L641 HydrophobicContact CD1-CD1 3.97Å; L484-L641 HydrophobicContact CD1-CD2 4.41Å
485	D	93.4	Very high	94	Very high	93 Å²	93	56 Å²	56	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-43.4	174.9	-69.8	-21.3	0	0	0	111.3	T481 T489	T481-D485 PolarHBondContact O-N 3.03Å; D485-T489 WeakPolarHBondContact O-CB 3.47Å; D485-T489 PolarHBondContact O-N 2.82Å; D485-T489 PolarHBondContact O-OG1 2.94Å
486	F	95.2	Very high	93.8	Very high	137 Å²	137	57.6 Å²	57.6	60%	0.601	29%	0.293	S	S	*	.	H	α-helix	trans	-62.3	-48.3	174.5	-178.5	-89.3	0	0	0	112.1	A482 K483 L484 T489 S490	A482-F486 WeakPolarHBondContact O-CB 3.43Å; A482-F486 PolarHBondContact O-N 2.95Å; A482-F486 VanDerWaalsContact O-N 3.07Å; K483-F486 PolarHBondContact O-N 3.4Å; L484-F486 VanDerWaalsContact C-N 3.32Å; L484-F486 PolarHBondContact O-N 3.04Å; F486-T489 PolarHBondContact O-N 2.89Å; F486-S490 WeakPolarHBondContact O-CB 3.45Å; F486-S490 PolarHBondContact O-N 3.03Å
487	F	95.7	Very high	93.5	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-47.9	178.8	175.9	-92.1	0	0	0	111.4	K483 L484 S490 L491 M518 A522 L641 L644 Q645 R648	K483-F487 WeakPolarHBondContact O-CB 3.44Å; K483-F487 PolarHBondContact O-N 2.97Å; L484-F487 PolarHBondContact O-N 3.31Å; F487-S490 PolarHBondContact O-N 2.87Å; F487-L491 HydrophobicContact CE1-CB 4.34Å; F487-L491 HydrophobicContact CE1-CD2 3.74Å; F487-L491 HydrophobicContact CZ-CD2 4.14Å; F487-L491 VanDerWaalsContact O-CB 3.31Å; F487-L491 WeakPolarHBondContact O-CB 3.39Å; F487-L491 PolarHBondContact O-N 2.87Å; F487-M518 HydrophobicContact CZ-CB 4.21Å; F487-A522 HydrophobicContact CD1-CB 3.68Å; F487-A522 HydrophobicContact CE1-CB 3.56Å; F487-L641 HydrophobicContact CB-CD1 3.75Å; F487-L641 HydrophobicContact CB-CG 4.28Å; F487-L641 HydrophobicContact CD1-CD1 3.72Å; F487-L641 HydrophobicContact CD2-CD1 4Å; F487-L641 HydrophobicContact CE1-CD1 4.35Å; F487-L641 HydrophobicContact CG-CD1 3.53Å; F487-L641 HydrophobicContact CG-CG 4.39Å; F487-L644 HydrophobicContact CE2-CB 3.75Å; F487-L644 HydrophobicContact CZ-CB 3.88Å; F487-L644 HydrophobicContact CZ-CD1 4.35Å; F487-Q645 HydrophobicContact CD2-CB 3.96Å; F487-Q645 HydrophobicContact CE2-CB 4.22Å; F487-R648 VanDerWaalsContact CD2-NH1 3.33Å
488	N	93.9	Very high	93.1	Very high	36 Å²	36	59.9 Å²	59.9	19%	0.193	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-46.8	179.6	-76.4	-26.1	0	0	0	111	L484 S490 L491 H492	L484-N488 WeakPolarHBondContact O-CB 3.37Å; L484-N488 VanDerWaalsContact O-CG 3.28Å; L484-N488 PolarHBondContact O-N 3.1Å; L484-N488 PolarHBondContact O-ND2 3Å; N488-S490 VanDerWaalsContact C-N 3.31Å; N488-S490 PolarHBondContact O-N 3.14Å; N488-L491 PolarHBondContact O-N 3.27Å; N488-H492 WeakPolarHBondContact O-CB 3.49Å; N488-H492 PolarHBondContact O-N 2.67Å; N488-H492 PolarHBondContact O-ND1 2.77Å
489	T	95.2	Very high	92.7	Very high	88 Å²	88	57.6 Å²	57.6	54%	0.54	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-47	175.8	-56.9	0	0	0	0	110.6	D485 F486 H492 I493	D485-T489 WeakPolarHBondContact O-CB 3.47Å; D485-T489 PolarHBondContact O-N 2.82Å; D485-T489 PolarHBondContact O-OG1 2.94Å; F486-T489 PolarHBondContact O-N 2.89Å; T489-H492 PolarHBondContact O-N 2.84Å; T489-I493 HydrophobicContact CG2-CD1 4.11Å; T489-I493 VanDerWaalsContact O-CG1 3.29Å; T489-I493 WeakPolarHBondContact O-CG1 3.48Å; T489-I493 PolarHBondContact O-N 2.94Å; T489-I493 VanDerWaalsContact O-N 3.12Å
490	S	95.9	Very high	92.4	Very high	25 Å²	25	58.3 Å²	58.3	18%	0.175	30%	0.303	C	S	.	.	H	α-helix	trans	-67.4	-40.1	-178.4	-167.4	0	0	0	0	112.8	F486 F487 N488 D494 R648	F486-S490 WeakPolarHBondContact O-CB 3.45Å; F486-S490 PolarHBondContact O-N 3.03Å; F487-S490 PolarHBondContact O-N 2.87Å; N488-S490 VanDerWaalsContact C-N 3.31Å; N488-S490 PolarHBondContact O-N 3.14Å; S490-D494 PolarHBondContact O-N 3.43Å; S490-D494 VanDerWaalsContact O-N 3.15Å; S490-R648 VanDerWaalsContact CB-NH2 3.28Å; S490-R648 PolarHBondContact OG-NH2 2.92Å
491	L	93.8	Very high	91.8	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-42	177.1	177.5	62.9	0	0	0	111.8	F487 N488 D494 M495 W515 M518 E519 R648	F487-L491 HydrophobicContact CE1-CB 4.34Å; F487-L491 HydrophobicContact CE1-CD2 3.74Å; F487-L491 HydrophobicContact CZ-CD2 4.14Å; F487-L491 VanDerWaalsContact O-CB 3.31Å; F487-L491 WeakPolarHBondContact O-CB 3.39Å; F487-L491 PolarHBondContact O-N 2.87Å; N488-L491 PolarHBondContact O-N 3.27Å; L491-D494 PolarHBondContact O-N 2.83Å; L491-M495 HydrophobicContact CD1-CG 4.43Å; L491-M495 HydrophobicContact CD1-SD 4.39Å; L491-M495 HydrophobicContact CG-SD 4.16Å; L491-M495 WeakPolarHBondContact O-CG 3.19Å; L491-M495 PolarHBondContact O-N 3.42Å; L491-W515 HydrophobicContact CD1-CB 3.95Å; L491-W515 HydrophobicContact CD1-CD2 4.46Å; L491-W515 HydrophobicContact CD1-CG 4.1Å; L491-M518 HydrophobicContact CD2-CB 4.47Å; L491-E519 HydrophobicContact CD2-CB 3.73Å; L491-E519 HydrophobicContact CD2-CG 4.39Å; L491-R648 VanDerWaalsContact CD1-CD 3.4Å
492	H	93.3	Very high	91.2	Very high	80 Å²	80	61.7 Å²	61.7	37%	0.37	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-40.9	178.3	-79.5	75.3	0	0	0	111.8	N488 T489 D494 M495 D496 E519	N488-H492 WeakPolarHBondContact O-CB 3.49Å; N488-H492 PolarHBondContact O-N 2.67Å; N488-H492 PolarHBondContact O-ND1 2.77Å; T489-H492 PolarHBondContact O-N 2.84Å; H492-D494 VanDerWaalsContact C-N 3.3Å; H492-D494 PolarHBondContact O-N 2.6Å; H492-M495 PolarHBondContact O-N 3.49Å; H492-D496 WeakPolarHBondContact O-CB 3.43Å; H492-D496 PolarHBondContact O-N 3.21Å; H492-E519 IonicContact CE1-OE1 3.49Å; H492-E519 PolarHBondContact CE1-OE1 3.26Å; H492-E519 IonicContact NE2-OE1 4Å; H492-E519 PolarHBondContact NE2-OE1 3.05Å
493	I	93.8	Very high	90.1	Very high	93 Å²	93	63.3 Å²	63.3	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-57.2	-46.7	172.8	-68.2	164.5	0	0	0	110.3	T489 M495 D496 K497	T489-I493 HydrophobicContact CG2-CD1 4.11Å; T489-I493 VanDerWaalsContact O-CG1 3.29Å; T489-I493 WeakPolarHBondContact O-CG1 3.48Å; T489-I493 PolarHBondContact O-N 2.94Å; T489-I493 VanDerWaalsContact O-N 3.12Å; I493-M495 PolarHBondContact O-N 3.4Å; I493-D496 PolarHBondContact O-N 3.35Å; I493-K497 HydrophobicContact CG2-CG 4.45Å; I493-K497 WeakPolarHBondContact O-CB 3.34Å; I493-K497 WeakPolarHBondContact O-CG 3.49Å; I493-K497 PolarHBondContact O-N 3.45Å
494	D	91.6	Very high	89.2	Confident	31 Å²	31	66.4 Å²	66.4	17%	0.166	36%	0.358	C	S	.	.	H	α-helix	trans	-62.6	-43.2	179.2	-68.5	-27.7	0	0	0	111.3	S490 L491 H492 Y498 W515 R648	S490-D494 PolarHBondContact O-N 3.43Å; S490-D494 VanDerWaalsContact O-N 3.15Å; L491-D494 PolarHBondContact O-N 2.83Å; H492-D494 VanDerWaalsContact C-N 3.3Å; H492-D494 PolarHBondContact O-N 2.6Å; D494-Y498 WeakPolarHBondContact O-CB 3.14Å; D494-Y498 PolarHBondContact O-N 2.85Å; D494-W515 HydrophobicContact CB-CE3 4.42Å; D494-W515 HydrophobicContact CB-CH2 3.98Å; D494-W515 HydrophobicContact CB-CZ3 3.85Å; D494-W515 WeakPolarHBondContact O-CZ3 3.22Å; D494-R648 IonicContact OD2-CZ 2.84Å; D494-R648 IonicContact OD2-NE 3.52Å; D494-R648 PolarHBondContact OD2-NE 2.83Å; D494-R648 IonicContact OD2-NH2 3.48Å
495	M	89.8	Confident	88.3	Confident	22 Å²	22	67.8 Å²	67.8	11%	0.108	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-43.8	176.9	-74	179	67.6	0	0	112.8	L491 H492 I493 Y498 N499 L512 W515 R516	L491-M495 HydrophobicContact CD1-CG 4.43Å; L491-M495 HydrophobicContact CD1-SD 4.39Å; L491-M495 HydrophobicContact CG-SD 4.16Å; L491-M495 WeakPolarHBondContact O-CG 3.19Å; L491-M495 PolarHBondContact O-N 3.42Å; H492-M495 PolarHBondContact O-N 3.49Å; I493-M495 PolarHBondContact O-N 3.4Å; M495-Y498 PolarHBondContact O-N 3.5Å; M495-N499 PolarHBondContact O-N 2.85Å; M495-N499 PolarHBondContact O-ND2 3.41Å; M495-N499 VanDerWaalsContact O-ND2 3.15Å; M495-L512 HydrophobicContact CE-CD1 4.35Å; M495-W515 HydrophobicContact CG-CB 4.43Å; M495-W515 HydrophobicContact CG-CE3 3.81Å; M495-R516 HydrophobicContact CE-CG 4.05Å
496	D	91	Very high	87.1	Confident	94 Å²	94	65.5 Å²	65.5	50%	0.503	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-46.9	178.3	-75.3	-17.4	0	0	0	111	H492 I493 Y498 N499 E500	H492-D496 WeakPolarHBondContact O-CB 3.43Å; H492-D496 PolarHBondContact O-N 3.21Å; I493-D496 PolarHBondContact O-N 3.35Å; D496-Y498 PolarHBondContact O-N 3.39Å; D496-N499 WeakPolarHBondContact O-CB 3.46Å; D496-N499 PolarHBondContact O-N 2.87Å; D496-E500 PolarHBondContact O-N 3.22Å
497	K	88.8	Confident	86.3	Confident	112 Å²	112	62.4 Å²	62.4	49%	0.487	36%	0.364	S	S	.	.	H	α-helix	trans	-66.8	-36.1	176.7	-68.1	-47.1	-174.5	-168	0	112.9	I493 N499 E500 Q501	I493-K497 HydrophobicContact CG2-CG 4.45Å; I493-K497 WeakPolarHBondContact O-CB 3.34Å; I493-K497 WeakPolarHBondContact O-CG 3.49Å; I493-K497 PolarHBondContact O-N 3.45Å; K497-N499 VanDerWaalsContact C-N 3.33Å; K497-E500 VanDerWaalsContact CD-OE2 3.32Å; K497-E500 WeakPolarHBondContact CD-OE2 3.32Å; K497-E500 IonicContact NZ-OE1 2.74Å; K497-E500 PolarHBondContact NZ-OE1 3.23Å; K497-E500 IonicContact NZ-OE2 2.8Å; K497-E500 PolarHBondContact NZ-OE2 2.95Å; K497-E500 PolarHBondContact O-N 3.49Å; K497-Q501 VanDerWaalsContact O-CG 3.31Å; K497-Q501 WeakPolarHBondContact O-CG 3.48Å; K497-Q501 PolarHBondContact O-N 3.36Å
498	Y	86.6	Confident	85.6	Confident	15 Å²	15	64.3 Å²	64.3	6%	0.059	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-43.5	171.2	174.6	-91.5	0	0	0	111.4	D494 M495 D496 Q501 T502 S508 L512 W515	D494-Y498 WeakPolarHBondContact O-CB 3.14Å; D494-Y498 PolarHBondContact O-N 2.85Å; M495-Y498 PolarHBondContact O-N 3.5Å; D496-Y498 PolarHBondContact O-N 3.39Å; Y498-Q501 WeakPolarHBondContact O-CG 3.48Å; Y498-Q501 PolarHBondContact O-N 3.01Å; Y498-Q501 PolarHBondContact O-NE2 2.97Å; Y498-T502 HydrophobicContact CD1-CG2 3.98Å; Y498-T502 HydrophobicContact CE1-CG2 3.58Å; Y498-T502 WeakPolarHBondContact O-CG2 3.38Å; Y498-T502 PolarHBondContact O-N 2.68Å; Y498-S508 PolarHBondContact OH-N 3.02Å; Y498-S508 PolarHBondContact OH-O 3.5Å; Y498-L512 HydrophobicContact CD1-CD1 3.9Å; Y498-L512 HydrophobicContact CE1-CB 4.04Å; Y498-L512 HydrophobicContact CE1-CD1 4.02Å; Y498-L512 HydrophobicContact CE1-CD2 4.22Å; Y498-L512 HydrophobicContact CE1-CG 4.32Å; Y498-W515 HydrophobicContact CG-CZ3 4.25Å
499	N	85.3	Confident	84.9	Confident	78 Å²	78	70.9 Å²	70.9	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-64.2	-44.2	177.8	-71	-31.6	0	0	0	112.1	M495 D496 K497 Q501 T502	M495-N499 PolarHBondContact O-N 2.85Å; M495-N499 PolarHBondContact O-ND2 3.41Å; M495-N499 VanDerWaalsContact O-ND2 3.15Å; D496-N499 WeakPolarHBondContact O-CB 3.46Å; D496-N499 PolarHBondContact O-N 2.87Å; K497-N499 VanDerWaalsContact C-N 3.33Å; N499-Q501 VanDerWaalsContact C-N 3.29Å; N499-Q501 PolarHBondContact O-N 3.03Å; N499-T502 PolarHBondContact O-N 2.91Å; N499-T502 PolarHBondContact O-OG1 3.49Å
500	E	86.4	Confident	84.3	Confident	127 Å²	127	75 Å²	75	59%	0.593	42%	0.417	S	S	*	.	H	α-helix	trans	-56.2	-41.3	176.1	-74.6	176.4	-163.9	0	0	112.4	D496 K497	D496-E500 PolarHBondContact O-N 3.22Å; K497-E500 VanDerWaalsContact CD-OE2 3.32Å; K497-E500 WeakPolarHBondContact CD-OE2 3.32Å; K497-E500 IonicContact NZ-OE1 2.74Å; K497-E500 PolarHBondContact NZ-OE1 3.23Å; K497-E500 IonicContact NZ-OE2 2.8Å; K497-E500 PolarHBondContact NZ-OE2 2.95Å; K497-E500 PolarHBondContact O-N 3.49Å
501	Q	83.1	Confident	83.8	Confident	58 Å²	58	74.6 Å²	74.6	27%	0.271	41%	0.413	S	S	.	.	H	α-helix	trans	-87.1	-8.8	-175.9	69.8	79.6	51.1	0	0	114.5	K497 Y498 N499 A503 T504 G505 I506	K497-Q501 VanDerWaalsContact O-CG 3.31Å; K497-Q501 WeakPolarHBondContact O-CG 3.48Å; K497-Q501 PolarHBondContact O-N 3.36Å; Y498-Q501 WeakPolarHBondContact O-CG 3.48Å; Y498-Q501 PolarHBondContact O-N 3.01Å; Y498-Q501 PolarHBondContact O-NE2 2.97Å; N499-Q501 VanDerWaalsContact C-N 3.29Å; N499-Q501 PolarHBondContact O-N 3.03Å; Q501-A503 PolarHBondContact O-N 2.89Å; Q501-A503 VanDerWaalsContact O-N 3.11Å; Q501-T504 PolarHBondContact O-N 3.29Å; Q501-T504 VanDerWaalsContact O-N 3.09Å; Q501-G505 WeakPolarHBondContact O-CA 3.35Å; Q501-G505 PolarHBondContact O-N 2.93Å; Q501-I506 PolarHBondContact NE2-O 3.48Å; Q501-I506 PolarHBondContact OE1-O 3.24Å
502	T	79.1	Confident	83.3	Confident	60 Å²	60	75.9 Å²	75.9	37%	0.368	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.2	-174.7	51.7	0	0	0	0	114.4	Y498 N499	Y498-T502 HydrophobicContact CD1-CG2 3.98Å; Y498-T502 HydrophobicContact CE1-CG2 3.58Å; Y498-T502 WeakPolarHBondContact O-CG2 3.38Å; Y498-T502 PolarHBondContact O-N 2.68Å; N499-T502 PolarHBondContact O-N 2.91Å; N499-T502 PolarHBondContact O-OG1 3.49Å
503	A	72.2	Confident	83	Confident	95 Å²	95	75 Å²	75	79%	0.785	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.4	179.8	0	0	0	0	0	114.2	Q501	Q501-A503 PolarHBondContact O-N 2.89Å; Q501-A503 VanDerWaalsContact O-N 3.11Å
504	T	74.1	Confident	82.9	Confident	130 Å²	130	72.3 Å²	72.3	80%	0.798	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	-10.4	-169.5	54.5	0	0	0	0	114.1	Q501	Q501-T504 PolarHBondContact O-N 3.29Å; Q501-T504 VanDerWaalsContact O-N 3.09Å
505	G	75.9	Confident	82.9	Confident	48 Å²	48	71 Å²	71	50%	0.495	40%	0.403	S	S	.	.	S	Bend	trans	-121.7	-137	-172.9	0	0	0	0	0	114.4	Q501	Q501-G505 WeakPolarHBondContact O-CA 3.35Å; Q501-G505 PolarHBondContact O-N 2.93Å
506	I	69.6	Low	82.9	Confident	45 Å²	45	76.8 Å²	76.8	23%	0.231	42%	0.424	C	S	.	.			trans	-98.1	110.7	-176.9	-60.6	175.4	0	0	0	109.5	Q501 L655 A659	Q501-I506 PolarHBondContact NE2-O 3.48Å; Q501-I506 PolarHBondContact OE1-O 3.24Å; I506-L655 HydrophobicContact CG2-CD2 4.05Å; I506-A659 HydrophobicContact CD1-CB 3.49Å; I506-A659 VanDerWaalsContact CD1-CB 3.49Å
507	A	76.6	Confident	83	Confident	72 Å²	72	78 Å²	78	60%	0.595	43%	0.426	S	S	*	.			trans	-94.8	124.2	171.8	0	0	0	0	0	111
508	S	81.2	Confident	83.2	Confident	41 Å²	41	72.9 Å²	72.9	29%	0.287	40%	0.404	S	S	.	.			trans	-136.8	98.2	173	179.7	0	0	0	0	110.4	Y498 K510 L511 L512	Y498-S508 PolarHBondContact OH-N 3.02Å; Y498-S508 PolarHBondContact OH-O 3.5Å; S508-K510 PolarHBondContact O-N 2.95Å; S508-L511 PolarHBondContact O-N 3.1Å; S508-L511 VanDerWaalsContact O-N 3.1Å; S508-L512 PolarHBondContact O-N 2.89Å
509	E	79	Confident	83.5	Confident	174 Å²	174	74.1 Å²	74.1	81%	0.813	41%	0.411	S	S	*	.	H	α-helix	trans	-59.3	-31.8	177.7	-68.8	-174.8	164.7	0	0	112.9	L511 L512 S513	E509-L511 VanDerWaalsContact C-N 3.32Å; E509-L511 PolarHBondContact O-N 2.91Å; E509-L512 PolarHBondContact O-N 2.85Å; E509-S513 PolarHBondContact O-N 3.22Å
510	K	83.6	Confident	83.8	Confident	175 Å²	175	76.2 Å²	76.2	76%	0.761	42%	0.418	S	S	*	.	H	α-helix	trans	-61.9	-39.9	176.2	-70.4	-174.9	178.7	-178	0	112.1	S508 S513 V514	S508-K510 PolarHBondContact O-N 2.95Å; K510-S513 PolarHBondContact O-N 2.82Å; K510-V514 WeakPolarHBondContact O-CG2 3.41Å; K510-V514 PolarHBondContact O-N 2.64Å
511	L	84.4	Confident	84	Confident	17 Å²	17	72.7 Å²	72.7	9%	0.089	41%	0.405	C	S	.	.	H	α-helix	trans	-68.9	-43.4	-179.8	-173.7	71.2	0	0	0	111.2	S508 E509 S513 V514 W515 E651 L655	S508-L511 PolarHBondContact O-N 3.1Å; S508-L511 VanDerWaalsContact O-N 3.1Å; E509-L511 VanDerWaalsContact C-N 3.32Å; E509-L511 PolarHBondContact O-N 2.91Å; L511-S513 VanDerWaalsContact C-N 3.28Å; L511-S513 PolarHBondContact O-N 2.92Å; L511-V514 PolarHBondContact O-N 2.96Å; L511-V514 VanDerWaalsContact O-N 3.16Å; L511-W515 HydrophobicContact CD1-CZ2 4.25Å; L511-W515 HydrophobicContact CD2-CH2 4.1Å; L511-W515 HydrophobicContact CD2-CZ2 3.7Å; L511-W515 HydrophobicContact CG-CD2 4.33Å; L511-W515 HydrophobicContact CG-CZ2 3.94Å; L511-W515 PolarHBondContact O-N 2.92Å; L511-E651 HydrophobicContact CD1-CB 3.92Å; L511-E651 HydrophobicContact CD1-CG 4.3Å; L511-E651 WeakPolarHBondContact CD1-OE2 3.16Å; L511-L655 HydrophobicContact CD2-CD1 3.23Å; L511-L655 HydrophobicContact CD2-CD2 4.38Å; L511-L655 HydrophobicContact CD2-CG 4.05Å
512	L	84.3	Confident	84.3	Confident	26 Å²	26	70 Å²	70	14%	0.136	39%	0.392	C	S	.	.	H	α-helix	trans	-61.5	-37.9	176.1	-171.2	68.1	0	0	0	111.7	M495 Y498 S508 E509 W515 R516	M495-L512 HydrophobicContact CE-CD1 4.35Å; Y498-L512 HydrophobicContact CD1-CD1 3.9Å; Y498-L512 HydrophobicContact CE1-CB 4.04Å; Y498-L512 HydrophobicContact CE1-CD1 4.02Å; Y498-L512 HydrophobicContact CE1-CD2 4.22Å; Y498-L512 HydrophobicContact CE1-CG 4.32Å; S508-L512 PolarHBondContact O-N 2.89Å; E509-L512 PolarHBondContact O-N 2.85Å; L512-W515 PolarHBondContact O-N 3.3Å; L512-R516 WeakPolarHBondContact O-CG 3.18Å; L512-R516 PolarHBondContact O-N 2.95Å
513	S	87.3	Confident	84.6	Confident	61 Å²	61	71.4 Å²	71.4	43%	0.427	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-45.9	173.3	-167.6	0	0	0	0	111.9	E509 K510 L511 W515 R516 E517	E509-S513 PolarHBondContact O-N 3.22Å; K510-S513 PolarHBondContact O-N 2.82Å; L511-S513 VanDerWaalsContact C-N 3.28Å; L511-S513 PolarHBondContact O-N 2.92Å; S513-W515 VanDerWaalsContact C-N 3.33Å; S513-W515 PolarHBondContact O-N 2.94Å; S513-R516 PolarHBondContact O-N 3.34Å; S513-E517 PolarHBondContact O-N 3.5Å
514	V	90.8	Very high	85.3	Confident	38 Å²	38	70.1 Å²	70.1	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-61.2	-42.3	177.7	169.8	0	0	0	0	111	K510 L511 E517 M518	K510-V514 WeakPolarHBondContact O-CG2 3.41Å; K510-V514 PolarHBondContact O-N 2.64Å; L511-V514 PolarHBondContact O-N 2.96Å; L511-V514 VanDerWaalsContact O-N 3.16Å; V514-E517 WeakPolarHBondContact O-CB 3.42Å; V514-E517 PolarHBondContact O-N 3.39Å; V514-M518 HydrophobicContact CG1-CE 3.85Å; V514-M518 HydrophobicContact CG1-CG 4.47Å; V514-M518 HydrophobicContact CG1-SD 4.48Å; V514-M518 VanDerWaalsContact O-CG 3.29Å; V514-M518 WeakPolarHBondContact O-CG 3.38Å; V514-M518 PolarHBondContact O-N 2.8Å
515	W	91.8	Very high	85.8	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-36.4	178.4	-71.9	2.9	0	0	0	113.2	L491 D494 M495 Y498 L511 L512 S513 E517 M518 E519 R648 E651 L652	L491-W515 HydrophobicContact CD1-CB 3.95Å; L491-W515 HydrophobicContact CD1-CD2 4.46Å; L491-W515 HydrophobicContact CD1-CG 4.1Å; D494-W515 HydrophobicContact CB-CE3 4.42Å; D494-W515 HydrophobicContact CB-CH2 3.98Å; D494-W515 HydrophobicContact CB-CZ3 3.85Å; D494-W515 WeakPolarHBondContact O-CZ3 3.22Å; M495-W515 HydrophobicContact CG-CB 4.43Å; M495-W515 HydrophobicContact CG-CE3 3.81Å; Y498-W515 HydrophobicContact CG-CZ3 4.25Å; L511-W515 HydrophobicContact CD1-CZ2 4.25Å; L511-W515 HydrophobicContact CD2-CH2 4.1Å; L511-W515 HydrophobicContact CD2-CZ2 3.7Å; L511-W515 HydrophobicContact CG-CD2 4.33Å; L511-W515 HydrophobicContact CG-CZ2 3.94Å; L511-W515 PolarHBondContact O-N 2.92Å; L512-W515 PolarHBondContact O-N 3.3Å; S513-W515 VanDerWaalsContact C-N 3.33Å; S513-W515 PolarHBondContact O-N 2.94Å; W515-E517 VanDerWaalsContact C-N 3.35Å; W515-M518 WeakPolarHBondContact O-CB 3.44Å; W515-M518 PolarHBondContact O-N 2.85Å; W515-E519 PolarHBondContact O-N 2.62Å; W515-R648 HydrophobicContact CZ2-CG 4.46Å; W515-E651 PolarHBondContact NE1-OE2 3.26Å; W515-L652 HydrophobicContact CH2-CD2 3.61Å; W515-L652 HydrophobicContact CH2-CG 4.25Å; W515-L652 HydrophobicContact CZ2-CD2 3.78Å; W515-L652 HydrophobicContact CZ2-CG 3.95Å
516	R	90.2	Very high	85.7	Confident	144 Å²	144	63 Å²	63	54%	0.543	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-38.6	170.4	-73.1	-179.9	-178.4	164.3	2	112.1	M495 L512 S513 M518 E519 Q520	M495-R516 HydrophobicContact CE-CG 4.05Å; L512-R516 WeakPolarHBondContact O-CG 3.18Å; L512-R516 PolarHBondContact O-N 2.95Å; S513-R516 PolarHBondContact O-N 3.34Å; R516-M518 VanDerWaalsContact C-N 3.34Å; R516-E519 WeakPolarHBondContact O-CB 3.38Å; R516-E519 PolarHBondContact O-N 3.4Å; R516-Q520 WeakPolarHBondContact O-CG 3.34Å; R516-Q520 PolarHBondContact O-N 3.09Å; R516-Q520 VanDerWaalsContact O-N 3.11Å
517	E	92.4	Very high	85.9	Confident	119 Å²	119	68.6 Å²	68.6	56%	0.556	36%	0.359	S	S	*	.	H	α-helix	trans	-65.1	-38.3	173.1	-72.8	173.5	-168.3	0	0	112	S513 V514 W515 E519 Q520 T521	S513-E517 PolarHBondContact O-N 3.5Å; V514-E517 WeakPolarHBondContact O-CB 3.42Å; V514-E517 PolarHBondContact O-N 3.39Å; W515-E517 VanDerWaalsContact C-N 3.35Å; E517-E519 VanDerWaalsContact C-N 3.35Å; E517-Q520 PolarHBondContact O-N 2.98Å; E517-T521 WeakPolarHBondContact O-CB 3.36Å; E517-T521 PolarHBondContact O-N 3.38Å; E517-T521 PolarHBondContact O-OG1 3.12Å
518	M	93.8	Very high	85.9	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.03	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-42.6	173.8	-69.3	179.8	170.8	0	0	111.7	F487 L491 V514 W515 R516 T521 A522 L644 K647 R648	F487-M518 HydrophobicContact CZ-CB 4.21Å; L491-M518 HydrophobicContact CD2-CB 4.47Å; V514-M518 HydrophobicContact CG1-CE 3.85Å; V514-M518 HydrophobicContact CG1-CG 4.47Å; V514-M518 HydrophobicContact CG1-SD 4.48Å; V514-M518 VanDerWaalsContact O-CG 3.29Å; V514-M518 WeakPolarHBondContact O-CG 3.38Å; V514-M518 PolarHBondContact O-N 2.8Å; W515-M518 WeakPolarHBondContact O-CB 3.44Å; W515-M518 PolarHBondContact O-N 2.85Å; R516-M518 VanDerWaalsContact C-N 3.34Å; M518-T521 PolarHBondContact O-N 3.5Å; M518-A522 WeakPolarHBondContact O-CB 3.4Å; M518-A522 PolarHBondContact O-N 2.86Å; M518-L644 HydrophobicContact CB-CD1 4.49Å; M518-L644 HydrophobicContact CG-CD2 4.16Å; M518-K647 HydrophobicContact CE-CB 4.07Å; M518-K647 HydrophobicContact CE-CD 3.73Å; M518-K647 HydrophobicContact CE-CG 3.79Å; M518-R648 HydrophobicContact CE-CB 4.3Å; M518-R648 HydrophobicContact SD-CB 3.98Å; M518-R648 HydrophobicContact SD-CG 4.25Å
519	E	92.1	Very high	85.9	Confident	41 Å²	41	70.9 Å²	70.9	19%	0.192	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-48.7	175.4	-174.4	-178.4	-144.6	0	0	111.5	L491 H492 W515 R516 E517 T521 A522 L523	L491-E519 HydrophobicContact CD2-CB 3.73Å; L491-E519 HydrophobicContact CD2-CG 4.39Å; H492-E519 IonicContact CE1-OE1 3.49Å; H492-E519 PolarHBondContact CE1-OE1 3.26Å; H492-E519 IonicContact NE2-OE1 4Å; H492-E519 PolarHBondContact NE2-OE1 3.05Å; W515-E519 PolarHBondContact O-N 2.62Å; R516-E519 WeakPolarHBondContact O-CB 3.38Å; R516-E519 PolarHBondContact O-N 3.4Å; E517-E519 VanDerWaalsContact C-N 3.35Å; E519-T521 VanDerWaalsContact C-N 3.31Å; E519-T521 PolarHBondContact O-N 3.1Å; E519-A522 PolarHBondContact O-N 3.42Å; E519-L523 HydrophobicContact CG-CD1 4.29Å; E519-L523 PolarHBondContact O-N 2.89Å
520	Q	91.1	Very high	86.4	Confident	122 Å²	122	62.7 Å²	62.7	57%	0.57	32%	0.32	S	S	*	.	H	α-helix	trans	-62.8	-38.9	177.5	-65.7	-57.1	-48.7	0	0	112.1	R516 E517 L523 S524	R516-Q520 WeakPolarHBondContact O-CG 3.34Å; R516-Q520 PolarHBondContact O-N 3.09Å; R516-Q520 VanDerWaalsContact O-N 3.11Å; E517-Q520 PolarHBondContact O-N 2.98Å; Q520-L523 WeakPolarHBondContact O-CB 3.4Å; Q520-L523 PolarHBondContact O-N 3.35Å; Q520-S524 PolarHBondContact O-N 3.2Å; Q520-S524 VanDerWaalsContact O-N 3.15Å
521	T	90.9	Very high	86.6	Confident	53 Å²	53	58.5 Å²	58.5	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-66	-42	176.8	-52.5	0	0	0	0	111	E517 M518 E519 L523 S524 C525 V640 L644	E517-T521 WeakPolarHBondContact O-CB 3.36Å; E517-T521 PolarHBondContact O-N 3.38Å; E517-T521 PolarHBondContact O-OG1 3.12Å; M518-T521 PolarHBondContact O-N 3.5Å; E519-T521 VanDerWaalsContact C-N 3.31Å; E519-T521 PolarHBondContact O-N 3.1Å; T521-L523 PolarHBondContact O-N 3.23Å; T521-S524 PolarHBondContact O-N 3.03Å; T521-S524 PolarHBondContact O-OG 3.16Å; T521-C525 PolarHBondContact O-N 3.19Å; T521-C525 VanDerWaalsContact O-N 3.16Å; T521-C525 PolarHBondContact O-SG 2.95Å; T521-V640 HydrophobicContact CG2-CG1 3.96Å; T521-L644 HydrophobicContact CG2-CD1 3.89Å
522	A	89.1	Confident	87	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-41.4	176.5	0	0	0	0	0	111.9	L484 F487 M518 E519 S524 C525 L641	L484-A522 HydrophobicContact CD1-CB 3.69Å; L484-A522 WeakPolarHBondContact CD1-O 3.21Å; F487-A522 HydrophobicContact CD1-CB 3.68Å; F487-A522 HydrophobicContact CE1-CB 3.56Å; M518-A522 WeakPolarHBondContact O-CB 3.4Å; M518-A522 PolarHBondContact O-N 2.86Å; E519-A522 PolarHBondContact O-N 3.42Å; A522-S524 VanDerWaalsContact C-N 3.29Å; A522-S524 PolarHBondContact O-N 3.44Å; A522-C525 WeakPolarHBondContact O-CB 3.31Å; A522-C525 PolarHBondContact O-N 3.25Å; A522-C525 VanDerWaalsContact O-N 3.09Å; A522-L641 HydrophobicContact CB-CD1 4.02Å
523	L	86.7	Confident	87.4	Confident	91 Å²	91	62 Å²	62	48%	0.476	32%	0.324	S	S	.	.	H	α-helix	trans	-56.3	-41.6	172.1	-97.5	140.5	0	0	0	112.6	E519 Q520 T521 C525 G526	E519-L523 HydrophobicContact CG-CD1 4.29Å; E519-L523 PolarHBondContact O-N 2.89Å; Q520-L523 WeakPolarHBondContact O-CB 3.4Å; Q520-L523 PolarHBondContact O-N 3.35Å; T521-L523 PolarHBondContact O-N 3.23Å; L523-C525 VanDerWaalsContact C-N 3.31Å; L523-C525 PolarHBondContact O-N 2.84Å; L523-G526 PolarHBondContact O-N 3.37Å
524	S	85.9	Confident	87.7	Confident	67 Å²	67	61.7 Å²	61.7	47%	0.469	32%	0.316	S	S	.	.	H	α-helix	trans	-67.1	-30.8	177.1	75.5	0	0	0	0	113	Q520 T521 A522 G526 Q527	Q520-S524 PolarHBondContact O-N 3.2Å; Q520-S524 VanDerWaalsContact O-N 3.15Å; T521-S524 PolarHBondContact O-N 3.03Å; T521-S524 PolarHBondContact O-OG 3.16Å; A522-S524 VanDerWaalsContact C-N 3.29Å; A522-S524 PolarHBondContact O-N 3.44Å; S524-G526 VanDerWaalsContact C-N 3.25Å; S524-G526 PolarHBondContact O-N 3.41Å; S524-Q527 PolarHBondContact O-N 3.5Å
525	C	84.3	Confident	87.8	Confident	6 Å²	6	65 Å²	65	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-26.9	178.9	-65.5	0	0	0	0	112.8	L480 T521 A522 L523 S637	L480-C525 WeakPolarHBondContact CD2-O 3.31Å; T521-C525 PolarHBondContact O-N 3.19Å; T521-C525 VanDerWaalsContact O-N 3.16Å; T521-C525 PolarHBondContact O-SG 2.95Å; A522-C525 WeakPolarHBondContact O-CB 3.31Å; A522-C525 PolarHBondContact O-N 3.25Å; A522-C525 VanDerWaalsContact O-N 3.09Å; L523-C525 VanDerWaalsContact C-N 3.31Å; L523-C525 PolarHBondContact O-N 2.84Å; C525-S637 PolarHBondContact O-OG 2.95Å
526	G	74	Confident	87.9	Confident	23 Å²	23	68.1 Å²	68.1	24%	0.237	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.1	-179.7	0	0	0	0	0	115.2	L523 S524 A528	L523-G526 PolarHBondContact O-N 3.37Å; S524-G526 VanDerWaalsContact C-N 3.25Å; S524-G526 PolarHBondContact O-N 3.41Å; G526-A528 PolarHBondContact O-N 2.98Å
527	Q	75.3	Confident	88.1	Confident	162 Å²	162	61.4 Å²	61.4	76%	0.757	32%	0.319	S	S	*	.			trans	-86.3	85.8	-177.4	-65.2	-175	-4.5	0	0	111	S524	S524-Q527 PolarHBondContact O-N 3.5Å
528	A	75.4	Confident	88.2	Confident	29 Å²	29	60.9 Å²	60.9	24%	0.24	32%	0.317	C	S	.	.			trans	-127.8	137.2	174.6	0	0	0	0	0	111.7	Y477 G526 V530 L634	Y477-A528 HydrophobicContact CD2-CB 4.32Å; Y477-A528 HydrophobicContact CE2-CB 4.28Å; G526-A528 PolarHBondContact O-N 2.98Å; A528-V530 HydrophobicContact CB-CG2 3.8Å; A528-V530 PolarHBondContact O-N 3.11Å; A528-L634 HydrophobicContact CB-CD2 3.82Å
529	Q	81.9	Confident	88.2	Confident	133 Å²	133	66.4 Å²	66.4	62%	0.621	34%	0.341	S	S	*	.			trans	-79.4	43.7	179.3	-67.6	176.9	-13.3	0	0	112.6	L533	Q529-L533 WeakPolarHBondContact O-CG 3.35Å; Q529-L533 PolarHBondContact O-N 3.3Å
530	V	89.4	Confident	88.3	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-72	-41.9	-173.6	174.7	0	0	0	0	111.6	M473 V474 Y477 A528 L533 E534 V630 L634	M473-V530 HydrophobicContact CE-CG1 3.92Å; M473-V530 HydrophobicContact CG-CG1 4.21Å; M473-V530 HydrophobicContact CG-CG2 4.22Å; M473-V530 HydrophobicContact SD-CG1 4.32Å; M473-V530 HydrophobicContact SD-CG2 4.35Å; V474-V530 HydrophobicContact CG2-CG1 4.39Å; Y477-V530 HydrophobicContact CD1-CB 4.1Å; Y477-V530 HydrophobicContact CD1-CG1 3.93Å; Y477-V530 HydrophobicContact CD1-CG2 4.46Å; Y477-V530 HydrophobicContact CD2-CB 4.18Å; Y477-V530 HydrophobicContact CD2-CG2 3.73Å; Y477-V530 HydrophobicContact CE1-CB 4.49Å; Y477-V530 HydrophobicContact CE2-CG2 4.36Å; Y477-V530 HydrophobicContact CG-CB 3.93Å; Y477-V530 HydrophobicContact CG-CG1 3.91Å; Y477-V530 HydrophobicContact CG-CG2 3.78Å; A528-V530 HydrophobicContact CB-CG2 3.8Å; A528-V530 PolarHBondContact O-N 3.11Å; V530-L533 PolarHBondContact O-N 3.16Å; V530-E534 WeakPolarHBondContact O-CB 3.22Å; V530-E534 PolarHBondContact O-N 2.86Å; V530-V630 HydrophobicContact CG2-CG1 3.71Å; V530-L634 HydrophobicContact CG2-CD1 4.02Å; V530-L634 HydrophobicContact CG2-CD2 4.48Å
531	T	88.6	Confident	88.4	Confident	86 Å²	86	61.2 Å²	61.2	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-40.7	-178.7	44.6	0	0	0	0	112.6	E534 E535	T531-E534 PolarHBondContact O-N 3.3Å; T531-E535 WeakPolarHBondContact O-CG 3.47Å; T531-E535 PolarHBondContact O-N 3.31Å
532	E	91.6	Very high	88.6	Confident	105 Å²	105	62.1 Å²	62.1	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-48.5	177.5	-175.5	173.7	-167.3	0	0	111.2	E534 E535 E536	E532-E534 PolarHBondContact O-N 3.31Å; E532-E535 PolarHBondContact O-N 3.26Å; E532-E536 WeakPolarHBondContact O-CG 3.49Å; E532-E536 PolarHBondContact O-N 3.19Å
533	L	93.2	Very high	88.8	Confident	11 Å²	11	65.3 Å²	65.3	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-42.6	176.6	-71.9	176	0	0	0	111.9	M473 Q529 V530 E535 E536 M537 L623 K626 V630	M473-L533 HydrophobicContact CE-CB 4.19Å; M473-L533 HydrophobicContact SD-CD1 4.16Å; Q529-L533 WeakPolarHBondContact O-CG 3.35Å; Q529-L533 PolarHBondContact O-N 3.3Å; V530-L533 PolarHBondContact O-N 3.16Å; L533-E535 VanDerWaalsContact C-N 3.33Å; L533-E535 PolarHBondContact O-N 3.34Å; L533-E536 PolarHBondContact O-N 3.44Å; L533-M537 WeakPolarHBondContact O-CB 3.28Å; L533-M537 WeakPolarHBondContact O-CG 3.41Å; L533-M537 PolarHBondContact O-N 2.79Å; L533-L623 HydrophobicContact CD2-CD2 4.13Å; L533-K626 HydrophobicContact CD1-CB 4.49Å; L533-K626 HydrophobicContact CD2-CB 4.06Å; L533-K626 HydrophobicContact CD2-CD 4.24Å; L533-V630 HydrophobicContact CD1-CB 4.27Å; L533-V630 HydrophobicContact CD1-CG2 3.66Å
534	E	93.6	Very high	89.2	Confident	55 Å²	55	61.2 Å²	61.2	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-59.7	-43.4	176.3	179.7	170.2	-150.7	0	0	111.9	K470 V474 V530 T531 E532 M537 M538	K470-E534 HydrophobicContact CD-CG 4.45Å; V474-E534 HydrophobicContact CG2-CG 4.49Å; V530-E534 WeakPolarHBondContact O-CB 3.22Å; V530-E534 PolarHBondContact O-N 2.86Å; T531-E534 PolarHBondContact O-N 3.3Å; E532-E534 PolarHBondContact O-N 3.31Å; E534-M537 PolarHBondContact O-N 3.38Å; E534-M538 HydrophobicContact CG-CG 4.42Å; E534-M538 WeakPolarHBondContact O-CB 3.47Å; E534-M538 WeakPolarHBondContact O-CG 3.24Å; E534-M538 PolarHBondContact O-N 2.79Å
535	E	93.6	Very high	89.5	Confident	109 Å²	109	60.2 Å²	60.2	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-44.3	175.7	-79.5	-169.8	-160.7	0	0	112.7	T531 E532 L533 M537 M538 K539	T531-E535 WeakPolarHBondContact O-CG 3.47Å; T531-E535 PolarHBondContact O-N 3.31Å; E532-E535 PolarHBondContact O-N 3.26Å; L533-E535 VanDerWaalsContact C-N 3.33Å; L533-E535 PolarHBondContact O-N 3.34Å; E535-M537 VanDerWaalsContact C-N 3.29Å; E535-M537 PolarHBondContact O-N 2.81Å; E535-M538 PolarHBondContact O-N 2.95Å; E535-K539 WeakPolarHBondContact O-CB 3.39Å; E535-K539 VanDerWaalsContact O-CG 3.25Å; E535-K539 WeakPolarHBondContact O-CG 3.4Å; E535-K539 PolarHBondContact O-N 3.39Å; E535-K539 IonicContact OE2-NZ 3.54Å; E535-K539 PolarHBondContact OE2-NZ 2.83Å
536	E	93.9	Very high	89.8	Confident	67 Å²	67	64.5 Å²	64.5	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-59.9	-42.6	177.2	-73.1	-162.4	154.9	0	0	111.5	E532 L533 K539 L540 L623	E532-E536 WeakPolarHBondContact O-CG 3.49Å; E532-E536 PolarHBondContact O-N 3.19Å; L533-E536 PolarHBondContact O-N 3.44Å; E536-K539 PolarHBondContact O-N 3.06Å; E536-L540 PolarHBondContact O-N 3.43Å; E536-L623 HydrophobicContact CB-CD2 4.22Å; E536-L623 WeakPolarHBondContact OE2-CD2 3.32Å
537	M	94.1	Very high	90.6	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-67.5	-38.9	177.8	-65.2	174.3	73.7	0	0	112.3	L466 K470 L533 E534 E535 L540 Q541 L623 V627	L466-M537 HydrophobicContact CD1-CE 3.38Å; L466-M537 HydrophobicContact CD1-SD 4.32Å; L466-M537 HydrophobicContact CD2-CE 3.95Å; L466-M537 HydrophobicContact CG-CE 3.32Å; L466-M537 WeakPolarHBondContact O-CE 3.42Å; K470-M537 HydrophobicContact CB-CE 3.43Å; K470-M537 VanDerWaalsContact CB-CE 3.43Å; K470-M537 HydrophobicContact CB-SD 4.05Å; K470-M537 HydrophobicContact CD-CB 4.21Å; K470-M537 HydrophobicContact CD-CE 3.84Å; K470-M537 HydrophobicContact CD-SD 4.03Å; K470-M537 HydrophobicContact CG-CE 3.65Å; K470-M537 HydrophobicContact CG-SD 3.7Å; L533-M537 WeakPolarHBondContact O-CB 3.28Å; L533-M537 WeakPolarHBondContact O-CG 3.41Å; L533-M537 PolarHBondContact O-N 2.79Å; E534-M537 PolarHBondContact O-N 3.38Å; E535-M537 VanDerWaalsContact C-N 3.29Å; E535-M537 PolarHBondContact O-N 2.81Å; M537-L540 PolarHBondContact O-N 3.05Å; M537-Q541 PolarHBondContact O-N 2.95Å; M537-L623 HydrophobicContact CG-CD1 4Å; M537-V627 HydrophobicContact CE-CG2 4.45Å; M537-V627 HydrophobicContact SD-CG2 3.77Å
538	M	93	Very high	91.1	Very high	108 Å²	108	60.9 Å²	60.9	53%	0.532	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-42	173.4	-75.1	-97.6	-154.3	0	0	111.4	E534 E535 L540 Q541 P542	E534-M538 HydrophobicContact CG-CG 4.42Å; E534-M538 WeakPolarHBondContact O-CB 3.47Å; E534-M538 WeakPolarHBondContact O-CG 3.24Å; E534-M538 PolarHBondContact O-N 2.79Å; E535-M538 PolarHBondContact O-N 2.95Å; M538-L540 PolarHBondContact O-N 3.42Å; M538-Q541 PolarHBondContact O-N 2.89Å; M538-P542 VanDerWaalsContact O-CD 3.22Å; M538-P542 WeakPolarHBondContact O-CD 3.34Å
539	K	94.4	Very high	91.6	Very high	122 Å²	122	68.7 Å²	68.7	53%	0.53	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-24.6	177.3	-71.8	164.1	-168.9	157	0	112.6	E535 E536	E535-K539 WeakPolarHBondContact O-CB 3.39Å; E535-K539 VanDerWaalsContact O-CG 3.25Å; E535-K539 WeakPolarHBondContact O-CG 3.4Å; E535-K539 PolarHBondContact O-N 3.39Å; E535-K539 IonicContact OE2-NZ 3.54Å; E535-K539 PolarHBondContact OE2-NZ 2.83Å; E536-K539 PolarHBondContact O-N 3.06Å
540	L	94.6	Very high	91	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-81.2	-27.9	178.7	-178.7	60.4	0	0	0	113.7	E536 M537 M538 D543 I544 R619 V620 L623	E536-L540 PolarHBondContact O-N 3.43Å; M537-L540 PolarHBondContact O-N 3.05Å; M538-L540 PolarHBondContact O-N 3.42Å; L540-D543 PolarHBondContact O-N 3.29Å; L540-I544 HydrophobicContact CD1-CG1 4.42Å; L540-I544 HydrophobicContact CD2-CD1 4.28Å; L540-I544 HydrophobicContact CG-CD1 3.89Å; L540-I544 HydrophobicContact CG-CG1 4.26Å; L540-I544 PolarHBondContact O-N 2.93Å; L540-R619 HydrophobicContact CD1-CB 3.93Å; L540-R619 HydrophobicContact CD2-CB 4Å; L540-V620 HydrophobicContact CD2-CG2 3.69Å; L540-L623 HydrophobicContact CD2-CD1 3.95Å
541	Q	93.7	Very high	89.6	Confident	55 Å²	55	70.6 Å²	70.6	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-42.9	-175.3	-64.4	-54.9	-48.7	0	0	114.3	N463 M537 M538 D543 I544 V545	N463-Q541 PolarHBondContact ND2-OE1 2.85Å; N463-Q541 VanDerWaalsContact ND2-OE1 3.13Å; N463-Q541 PolarHBondContact OD1-NE2 3.46Å; M537-Q541 PolarHBondContact O-N 2.95Å; M538-Q541 PolarHBondContact O-N 2.89Å; Q541-D543 VanDerWaalsContact C-N 3.29Å; Q541-D543 PolarHBondContact O-N 3.31Å; Q541-I544 PolarHBondContact O-N 3.37Å; Q541-V545 WeakPolarHBondContact O-CG2 3.37Å; Q541-V545 PolarHBondContact O-N 3.26Å
542	P	94.6	Very high	88.2	Confident	71 Å²	71	69.7 Å²	69.7	46%	0.461	34%	0.338	S	S	.	.	H	α-helix	trans	-56.9	-42.2	176.7	-25.4	34.8	0	0	0	112.7	M538 I544 V545 D546	M538-P542 VanDerWaalsContact O-CD 3.22Å; M538-P542 WeakPolarHBondContact O-CD 3.34Å; P542-I544 VanDerWaalsContact C-N 3.35Å; P542-I544 PolarHBondContact O-N 3.21Å; P542-V545 PolarHBondContact O-N 3.48Å; P542-D546 WeakPolarHBondContact O-CB 3.32Å; P542-D546 PolarHBondContact O-N 3.49Å
543	D	93.7	Very high	86.4	Confident	68 Å²	68	75 Å²	75	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-41.8	178.9	-64.3	-26.2	0	0	0	111.5	L540 Q541 D546 V547 R619	L540-D543 PolarHBondContact O-N 3.29Å; Q541-D543 VanDerWaalsContact C-N 3.29Å; Q541-D543 PolarHBondContact O-N 3.31Å; D543-D546 PolarHBondContact O-N 3.11Å; D543-V547 WeakPolarHBondContact O-CG2 3.18Å; D543-V547 PolarHBondContact O-N 3.47Å; D543-R619 IonicContact OD2-NH1 3.04Å; D543-R619 PolarHBondContact OD2-NH1 3.4Å
544	I	93.8	Very high	84.4	Confident	4 Å²	4	76.5 Å²	76.5	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-65.6	-44.1	177.5	-65	176	0	0	0	110.9	L460 N463 L540 Q541 P542 D546 V547 Q548 C616 V620	L460-I544 HydrophobicContact CD2-CG2 3.95Å; N463-I544 HydrophobicContact CB-CD1 4.03Å; N463-I544 VanDerWaalsContact CG-CD1 3.46Å; N463-I544 WeakPolarHBondContact OD1-CD1 3.3Å; L540-I544 HydrophobicContact CD1-CG1 4.42Å; L540-I544 HydrophobicContact CD2-CD1 4.28Å; L540-I544 HydrophobicContact CG-CD1 3.89Å; L540-I544 HydrophobicContact CG-CG1 4.26Å; L540-I544 PolarHBondContact O-N 2.93Å; Q541-I544 PolarHBondContact O-N 3.37Å; P542-I544 VanDerWaalsContact C-N 3.35Å; P542-I544 PolarHBondContact O-N 3.21Å; I544-D546 VanDerWaalsContact C-N 3.32Å; I544-D546 PolarHBondContact O-N 3.47Å; I544-V547 PolarHBondContact O-N 2.77Å; I544-Q548 PolarHBondContact O-N 2.96Å; I544-C616 HydrophobicContact CG1-CB 4.17Å; I544-V620 HydrophobicContact CD1-CG2 4.02Å
545	V	92.4	Very high	82.7	Confident	47 Å²	47	74.4 Å²	74.4	29%	0.285	36%	0.359	S	S	.	.	H	α-helix	trans	-63.1	-40.5	177.3	172.2	0	0	0	0	110.9	Q541 P542 Q548 R549	Q541-V545 WeakPolarHBondContact O-CG2 3.37Å; Q541-V545 PolarHBondContact O-N 3.26Å; P542-V545 PolarHBondContact O-N 3.48Å; V545-Q548 WeakPolarHBondContact O-CB 3.41Å; V545-Q548 PolarHBondContact O-N 2.92Å; V545-R549 HydrophobicContact CG1-CG 4.32Å; V545-R549 WeakPolarHBondContact O-CB 3.27Å; V545-R549 VanDerWaalsContact O-CG 3.31Å; V545-R549 WeakPolarHBondContact O-CG 3.37Å; V545-R549 PolarHBondContact O-N 3.06Å
546	D	90.9	Very high	81.3	Confident	96 Å²	96	75.9 Å²	75.9	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-43.3	178	-81.2	-7.3	0	0	0	111.9	P542 D543 I544 Q548 R549 Q550	P542-D546 WeakPolarHBondContact O-CB 3.32Å; P542-D546 PolarHBondContact O-N 3.49Å; D543-D546 PolarHBondContact O-N 3.11Å; I544-D546 VanDerWaalsContact C-N 3.32Å; I544-D546 PolarHBondContact O-N 3.47Å; D546-Q548 VanDerWaalsContact C-N 3.31Å; D546-Q548 PolarHBondContact O-N 2.99Å; D546-R549 PolarHBondContact O-N 3.1Å; D546-Q550 WeakPolarHBondContact O-CG 3.37Å; D546-Q550 PolarHBondContact O-N 2.91Å
547	V	90.3	Very high	80.7	Confident	6 Å²	6	75.9 Å²	75.9	4%	0.036	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-40.4	174.3	168.9	0	0	0	0	111.2	I456 D543 I544 K612 T613	I456-V547 HydrophobicContact CD1-CG1 4.01Å; I456-V547 HydrophobicContact CG1-CG1 3.92Å; D543-V547 WeakPolarHBondContact O-CG2 3.18Å; D543-V547 PolarHBondContact O-N 3.47Å; I544-V547 PolarHBondContact O-N 2.77Å; V547-K612 HydrophobicContact CG2-CB 4.06Å; V547-T613 HydrophobicContact CG1-CG2 4.16Å; V547-T613 VanDerWaalsContact CG1-OG1 3.23Å; V547-T613 WeakPolarHBondContact CG1-OG1 3.34Å
548	Q	87.5	Confident	80.5	Confident	103 Å²	103	75.9 Å²	75.9	48%	0.481	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-38.3	178.7	-173	-176.3	4.4	0	0	112.7	I544 V545 D546 Q550	I544-Q548 PolarHBondContact O-N 2.96Å; V545-Q548 WeakPolarHBondContact O-CB 3.41Å; V545-Q548 PolarHBondContact O-N 2.92Å; D546-Q548 VanDerWaalsContact C-N 3.31Å; D546-Q548 PolarHBondContact O-N 2.99Å; Q548-Q550 VanDerWaalsContact C-N 3.35Å; Q548-Q550 PolarHBondContact O-N 2.82Å
549	R	84.4	Confident	80.4	Confident	193 Å²	193	73.7 Å²	73.7	73%	0.728	36%	0.361	S	S	*	.	H	α-helix	trans	-79.3	-10.2	-175.3	-73.9	178.3	178.4	-171.3	1.3	114.7	V545 D546	V545-R549 HydrophobicContact CG1-CG 4.32Å; V545-R549 WeakPolarHBondContact O-CB 3.27Å; V545-R549 VanDerWaalsContact O-CG 3.31Å; V545-R549 WeakPolarHBondContact O-CG 3.37Å; V545-R549 PolarHBondContact O-N 3.06Å; D546-R549 PolarHBondContact O-N 3.1Å
550	Q	70.1	Confident	80.4	Confident	69 Å²	69	71.3 Å²	71.3	32%	0.322	36%	0.357	S	S	.	.	S	Bend	trans	-52.7	126.4	179.5	-72.5	-86.6	-39.9	0	0	110.9	D546 Q548 W552 V609	D546-Q550 WeakPolarHBondContact O-CG 3.37Å; D546-Q550 PolarHBondContact O-N 2.91Å; Q548-Q550 VanDerWaalsContact C-N 3.35Å; Q548-Q550 PolarHBondContact O-N 2.82Å; Q550-W552 HydrophobicContact CB-CH2 4.21Å; Q550-W552 HydrophobicContact CB-CZ2 3.87Å; Q550-W552 PolarHBondContact O-N 3.1Å; Q550-W552 PolarHBondContact O-NE1 3.35Å; Q550-V609 HydrophobicContact CG-CG1 4.03Å; Q550-V609 HydrophobicContact CG-CG2 4.47Å; Q550-V609 VanDerWaalsContact OE1-CG2 3.28Å
551	P	60.3	Low	80.4	Confident	105 Å²	105	71.7 Å²	71.7	68%	0.682	36%	0.359	S	S	*	.			trans	-71.8	101.8	-176.5	25.3	-31.1	0	0	0	110.9	R553	P551-R553 PolarHBondContact O-N 3.27Å; P551-R553 VanDerWaalsContact O-N 3.1Å
552	W	59.2	Low	80.5	Confident	68 Å²	68	70.6 Å²	70.6	26%	0.258	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-0.5	175	-50.3	103.1	0	0	0	113.9	Q449 Q452 I456 Q550 S554 V609	Q449-W552 PolarHBondContact NE2-O 3.29Å; Q452-W552 HydrophobicContact CB-CZ3 4.34Å; Q452-W552 HydrophobicContact CG-CE3 4.3Å; Q452-W552 HydrophobicContact CG-CH2 3.32Å; Q452-W552 HydrophobicContact CG-CZ2 4.33Å; Q452-W552 HydrophobicContact CG-CZ3 3.31Å; I456-W552 HydrophobicContact CD1-CH2 3.62Å; I456-W552 HydrophobicContact CD1-CZ2 3.16Å; Q550-W552 HydrophobicContact CB-CH2 4.21Å; Q550-W552 HydrophobicContact CB-CZ2 3.87Å; Q550-W552 PolarHBondContact O-N 3.1Å; Q550-W552 PolarHBondContact O-NE1 3.35Å; W552-S554 PolarHBondContact O-N 2.81Å; W552-V609 HydrophobicContact CH2-CG1 3.7Å; W552-V609 HydrophobicContact CZ3-CG1 4.34Å
553	R	53.7	Low	80.6	Confident	216 Å²	216	68.4 Å²	68.4	82%	0.815	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	6.3	-171.7	-65.5	-156.2	-174.4	-123.1	4.4	115.6	P551 G555	P551-R553 PolarHBondContact O-N 3.27Å; P551-R553 VanDerWaalsContact O-N 3.1Å; R553-G555 PolarHBondContact O-N 3.15Å
554	S	51.4	Low	80.7	Confident	43 Å²	43	70.5 Å²	70.5	30%	0.301	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	28	-176.3	77.8	0	0	0	0	115.7	W552 E556 K602	W552-S554 PolarHBondContact O-N 2.81Å; S554-E556 VanDerWaalsContact C-N 3.34Å; S554-K602 VanDerWaalsContact CB-NZ 3.31Å; S554-K602 VanDerWaalsContact OG-CE 3.32Å; S554-K602 WeakPolarHBondContact OG-CE 3.34Å; S554-K602 PolarHBondContact OG-NZ 3.09Å
555	G	56.6	Low	80.9	Confident	11 Å²	11	70.4 Å²	70.4	11%	0.113	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.3	172.1	0	0	0	0	0	113.5	R553 T557 L558 D559	R553-G555 PolarHBondContact O-N 3.15Å; G555-T557 PolarHBondContact O-N 2.92Å; G555-L558 PolarHBondContact O-N 2.77Å; G555-D559 PolarHBondContact O-N 3.5Å; G555-D559 VanDerWaalsContact O-N 3.1Å
556	E	65.3	Low	81.1	Confident	139 Å²	139	71 Å²	71	65%	0.65	35%	0.35	S	S	*	.	H	α-helix	trans	-50.1	-32.6	-170.5	-68.1	179.9	176.2	0	0	114.5	S554 T560	S554-E556 VanDerWaalsContact C-N 3.34Å; E556-T560 VanDerWaalsContact O-CB 3.3Å; E556-T560 WeakPolarHBondContact O-CB 3.47Å; E556-T560 PolarHBondContact O-N 3.35Å; E556-T560 PolarHBondContact O-OG1 3.12Å
557	T	81.1	Confident	81.4	Confident	68 Å²	68	69 Å²	69	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-75	-40.2	178.5	-44.2	0	0	0	0	113	G555 T560 L561 F598	G555-T557 PolarHBondContact O-N 2.92Å; T557-T560 PolarHBondContact O-N 3.5Å; T557-L561 HydrophobicContact CG2-CD1 4.37Å; T557-L561 WeakPolarHBondContact O-CB 3.25Å; T557-L561 VanDerWaalsContact O-CG 3.27Å; T557-L561 WeakPolarHBondContact O-CG 3.27Å; T557-L561 PolarHBondContact O-N 2.83Å; T557-F598 VanDerWaalsContact CB-CZ 3.48Å; T557-F598 HydrophobicContact CG2-CD2 3.78Å; T557-F598 HydrophobicContact CG2-CE2 3.75Å; T557-F598 HydrophobicContact CG2-CG 4.36Å; T557-F598 HydrophobicContact CG2-CZ 4.28Å; T557-F598 WeakPolarHBondContact OG1-CE2 3.44Å
558	L	89.2	Confident	81.7	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-69	-38.9	174.6	-83.1	169.9	0	0	0	110.9	K442 W445 G555 T560 L561 E562 A595 F598 Y599	K442-L558 HydrophobicContact CB-CB 4.41Å; W445-L558 HydrophobicContact CB-CD1 4.21Å; W445-L558 HydrophobicContact CG-CD1 4.33Å; G555-L558 PolarHBondContact O-N 2.77Å; L558-T560 VanDerWaalsContact C-N 3.31Å; L558-T560 PolarHBondContact O-N 2.99Å; L558-L561 PolarHBondContact O-N 2.91Å; L558-E562 VanDerWaalsContact O-CB 3.25Å; L558-E562 WeakPolarHBondContact O-CB 3.43Å; L558-E562 PolarHBondContact O-N 3.22Å; L558-A595 HydrophobicContact CD2-CB 4.28Å; L558-F598 HydrophobicContact CB-CE1 4.47Å; L558-F598 HydrophobicContact CD1-CD1 3.94Å; L558-F598 HydrophobicContact CD1-CE1 3.97Å; L558-F598 HydrophobicContact CD2-CD1 4.07Å; L558-F598 HydrophobicContact CG-CD1 3.52Å; L558-F598 HydrophobicContact CG-CE1 3.7Å; L558-Y599 HydrophobicContact CD1-CD2 4.24Å
559	D	91.1	Very high	82.1	Confident	62 Å²	62	66.5 Å²	66.5	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-57.1	-46	171.2	-70.8	-67.9	0	0	0	111.5	K442 G555 E562 G563	K442-D559 WeakPolarHBondContact CD-OD1 3.47Å; K442-D559 WeakPolarHBondContact CE-OD1 3.43Å; K442-D559 IonicContact NZ-OD1 3.28Å; K442-D559 PolarHBondContact NZ-OD1 3.49Å; G555-D559 PolarHBondContact O-N 3.5Å; G555-D559 VanDerWaalsContact O-N 3.1Å; D559-E562 PolarHBondContact O-N 2.95Å; D559-G563 PolarHBondContact O-N 3.2Å
560	T	93.9	Very high	82.7	Confident	73 Å²	73	60.7 Å²	60.7	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-64.5	-42.3	177.4	-60.4	0	0	0	0	112.2	E556 T557 L558 K564	E556-T560 VanDerWaalsContact O-CB 3.3Å; E556-T560 WeakPolarHBondContact O-CB 3.47Å; E556-T560 PolarHBondContact O-N 3.35Å; E556-T560 PolarHBondContact O-OG1 3.12Å; T557-T560 PolarHBondContact O-N 3.5Å; L558-T560 VanDerWaalsContact C-N 3.31Å; L558-T560 PolarHBondContact O-N 2.99Å; T560-K564 HydrophobicContact CG2-CD 4.35Å; T560-K564 VanDerWaalsContact O-CG 3.32Å; T560-K564 WeakPolarHBondContact O-CG 3.41Å; T560-K564 PolarHBondContact O-N 3.35Å
561	L	95.1	Very high	83.9	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-40.3	178.8	-73.1	171.3	0	0	0	111.9	I438 T557 L558 K564 A565 L591 Q594 A595	I438-L561 HydrophobicContact CG2-CB 4.37Å; T557-L561 HydrophobicContact CG2-CD1 4.37Å; T557-L561 WeakPolarHBondContact O-CB 3.25Å; T557-L561 VanDerWaalsContact O-CG 3.27Å; T557-L561 WeakPolarHBondContact O-CG 3.27Å; T557-L561 PolarHBondContact O-N 2.83Å; L558-L561 PolarHBondContact O-N 2.91Å; L561-K564 PolarHBondContact O-N 3.36Å; L561-A565 WeakPolarHBondContact O-CB 3.3Å; L561-A565 PolarHBondContact O-N 3.29Å; L561-L591 HydrophobicContact CD2-CD2 3.98Å; L561-Q594 HydrophobicContact CD1-CB 4.22Å; L561-Q594 HydrophobicContact CD2-CB 4.04Å; L561-A595 HydrophobicContact CD1-CB 4.18Å
562	E	95.8	Very high	85.5	Confident	31 Å²	31	59.1 Å²	59.1	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-47	174.4	-172.2	-85	149.4	0	0	110.7	W435 I438 R439 K442 L558 D559 K564 A565 M566	W435-E562 PolarHBondContact NE1-OE1 3.5Å; I438-E562 HydrophobicContact CG2-CB 3.92Å; R439-E562 HydrophobicContact CB-CG 4.07Å; R439-E562 HydrophobicContact CG-CG 4.41Å; K442-E562 HydrophobicContact CD-CB 4.46Å; K442-E562 HydrophobicContact CD-CG 4.47Å; K442-E562 IonicContact NZ-OE2 3.04Å; L558-E562 VanDerWaalsContact O-CB 3.25Å; L558-E562 WeakPolarHBondContact O-CB 3.43Å; L558-E562 PolarHBondContact O-N 3.22Å; D559-E562 PolarHBondContact O-N 2.95Å; E562-K564 PolarHBondContact O-N 2.9Å; E562-A565 PolarHBondContact O-N 2.9Å; E562-M566 WeakPolarHBondContact O-CB 3.05Å; E562-M566 PolarHBondContact O-N 3.34Å
563	G	96.4	Very high	87.1	Confident	25 Å²	25	59 Å²	59	26%	0.258	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-40.6	175.2	0	0	0	0	0	113.3	D559 E567	D559-G563 PolarHBondContact O-N 3.2Å; G563-E567 VanDerWaalsContact O-CB 3.27Å; G563-E567 WeakPolarHBondContact O-CB 3.43Å; G563-E567 PolarHBondContact O-N 3.14Å
564	K	96.8	Very high	89	Confident	112 Å²	112	54.2 Å²	54.2	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-43.3	174.1	-75.6	173.9	-178.2	176.2	0	112.3	T560 L561 E562 E567 L568 L591	T560-K564 HydrophobicContact CG2-CD 4.35Å; T560-K564 VanDerWaalsContact O-CG 3.32Å; T560-K564 WeakPolarHBondContact O-CG 3.41Å; T560-K564 PolarHBondContact O-N 3.35Å; L561-K564 PolarHBondContact O-N 3.36Å; E562-K564 PolarHBondContact O-N 2.9Å; K564-E567 PolarHBondContact O-N 3.08Å; K564-L568 WeakPolarHBondContact O-CB 3.27Å; K564-L568 PolarHBondContact O-N 2.89Å; K564-L591 HydrophobicContact CB-CD1 4.34Å; K564-L591 HydrophobicContact CB-CD2 3.98Å; K564-L591 HydrophobicContact CD-CD2 4.25Å
565	A	96.9	Very high	90.9	Very high	3 Å²	3	56 Å²	56	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-68.2	-40.9	178.7	0	0	0	0	0	112	W435 I438 L561 E562 L568 F569 L591	W435-A565 HydrophobicContact CB-CB 3.97Å; W435-A565 HydrophobicContact CG-CB 4.37Å; I438-A565 HydrophobicContact CD1-CB 3.76Å; L561-A565 WeakPolarHBondContact O-CB 3.3Å; L561-A565 PolarHBondContact O-N 3.29Å; E562-A565 PolarHBondContact O-N 2.9Å; A565-L568 PolarHBondContact O-N 3.45Å; A565-F569 PolarHBondContact O-N 3.46Å; A565-L591 HydrophobicContact CB-CD1 4.14Å
566	M	97.2	Very high	92.6	Very high	58 Å²	58	58.3 Å²	58.3	29%	0.286	29%	0.289	S	S	.	.	H	α-helix	trans	-58.1	-49	173.5	-176.1	-83.4	-69.1	0	0	110.7	L112 W435 E562 L568 F569 R570	L112-M566 HydrophobicContact CD1-SD 4.33Å; W435-M566 HydrophobicContact CD2-CB 4.31Å; W435-M566 HydrophobicContact CG-CB 4.4Å; W435-M566 HydrophobicContact CH2-CG 4.25Å; W435-M566 HydrophobicContact CZ2-CB 4.13Å; W435-M566 HydrophobicContact CZ2-CG 3.65Å; E562-M566 WeakPolarHBondContact O-CB 3.05Å; E562-M566 PolarHBondContact O-N 3.34Å; M566-L568 PolarHBondContact O-N 3.4Å; M566-F569 PolarHBondContact O-N 2.96Å; M566-R570 VanDerWaalsContact O-CB 3.31Å; M566-R570 WeakPolarHBondContact O-CB 3.43Å; M566-R570 PolarHBondContact O-N 3.44Å; M566-R570 HydrophobicContact SD-CB 4.37Å
567	E	97.1	Very high	93.6	Very high	56 Å²	56	61.6 Å²	61.6	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-40.6	-179.5	-180	59.8	-165.7	0	0	112.2	G563 K564 R570 K571	G563-E567 VanDerWaalsContact O-CB 3.27Å; G563-E567 WeakPolarHBondContact O-CB 3.43Å; G563-E567 PolarHBondContact O-N 3.14Å; K564-E567 PolarHBondContact O-N 3.08Å; E567-R570 PolarHBondContact O-N 2.76Å; E567-R570 IonicContact OE1-CZ 2.6Å; E567-R570 IonicContact OE1-NE 2.67Å; E567-R570 IonicContact OE1-NH2 3.98Å; E567-R570 PolarHBondContact OE1-NH2 2.9Å; E567-R570 IonicContact OE2-CZ 3.93Å; E567-R570 IonicContact OE2-NE 3.68Å; E567-R570 PolarHBondContact OE2-NE 3.46Å; E567-R570 IonicContact OE2-NH2 3.58Å; E567-R570 PolarHBondContact OE2-NH2 2.89Å; E567-K571 WeakPolarHBondContact O-CB 3.46Å; E567-K571 WeakPolarHBondContact O-CG 3.35Å; E567-K571 PolarHBondContact O-N 3.41Å; E567-K571 WeakPolarHBondContact OE1-CE 3.27Å; E567-K571 IonicContact OE1-NZ 3.25Å
568	L	95.8	Very high	94	Very high	53 Å²	53	64.4 Å²	64.4	28%	0.277	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-46.9	174.1	-177	66.2	0	0	0	111.3	K564 A565 M566 L572 E587 T588 L591	K564-L568 WeakPolarHBondContact O-CB 3.27Å; K564-L568 PolarHBondContact O-N 2.89Å; A565-L568 PolarHBondContact O-N 3.45Å; M566-L568 PolarHBondContact O-N 3.4Å; L568-L572 WeakPolarHBondContact O-CB 3.12Å; L568-L572 PolarHBondContact O-N 3.27Å; L568-L572 VanDerWaalsContact O-N 3.12Å; L568-E587 HydrophobicContact CD2-CB 4.34Å; L568-E587 HydrophobicContact CD2-CG 4.09Å; L568-T588 WeakPolarHBondContact CD2-OG1 3.01Å; L568-L591 HydrophobicContact CD2-CD1 4.16Å
569	F	96.8	Very high	94.1	Very high	3 Å²	3	69.4 Å²	69.4	1%	0.013	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-41.9	177.7	177.8	-117.2	0	0	0	112.2	L112 C115 R428 C431 W435 A565 M566 L572 R573	L112-F569 HydrophobicContact CD2-CD1 3.7Å; L112-F569 HydrophobicContact CD2-CE1 3.73Å; C115-F569 HydrophobicContact CB-CE1 3.64Å; C115-F569 HydrophobicContact CB-CZ 3.5Å; R428-F569 HydrophobicContact CG-CE2 3.87Å; R428-F569 WeakPolarHBondContact O-CE2 2.91Å; C431-F569 HydrophobicContact CB-CD2 4.24Å; W435-F569 AromaticContact CE3-CD1 3.55Å; W435-F569 HydrophobicContact CE3-CD1 3.55Å; W435-F569 HydrophobicContact CE3-CE1 4.06Å; W435-F569 HydrophobicContact CE3-CG 4.25Å; W435-F569 AromaticContact CZ3-CD1 3.64Å; W435-F569 HydrophobicContact CZ3-CD1 3.64Å; W435-F569 AromaticContact CZ3-CE1 3.87Å; W435-F569 HydrophobicContact CZ3-CE1 3.87Å; A565-F569 PolarHBondContact O-N 3.46Å; M566-F569 PolarHBondContact O-N 2.96Å; F569-L572 PolarHBondContact O-N 3.27Å; F569-R573 WeakPolarHBondContact O-CB 3.34Å; F569-R573 PolarHBondContact O-N 3.42Å
570	R	96.7	Very high	94.2	Very high	70 Å²	70	71.2 Å²	71.2	26%	0.264	33%	0.333	S	S	.	.	H	α-helix	trans	-59.3	-52.3	177.4	-175.6	-177.9	74.2	78.9	-1.5	111.1	L112 M566 E567 L572 R573 E574	L112-R570 HydrophobicContact CD1-CB 4.06Å; L112-R570 HydrophobicContact CD1-CG 3.87Å; L112-R570 HydrophobicContact CD2-CB 4.23Å; L112-R570 HydrophobicContact CD2-CG 4.44Å; M566-R570 VanDerWaalsContact O-CB 3.31Å; M566-R570 WeakPolarHBondContact O-CB 3.43Å; M566-R570 PolarHBondContact O-N 3.44Å; M566-R570 HydrophobicContact SD-CB 4.37Å; E567-R570 PolarHBondContact O-N 2.76Å; E567-R570 IonicContact OE1-CZ 2.6Å; E567-R570 IonicContact OE1-NE 2.67Å; E567-R570 IonicContact OE1-NH2 3.98Å; E567-R570 PolarHBondContact OE1-NH2 2.9Å; E567-R570 IonicContact OE2-CZ 3.93Å; E567-R570 IonicContact OE2-NE 3.68Å; E567-R570 PolarHBondContact OE2-NE 3.46Å; E567-R570 IonicContact OE2-NH2 3.58Å; E567-R570 PolarHBondContact OE2-NH2 2.89Å; R570-L572 VanDerWaalsContact C-N 3.29Å; R570-L572 PolarHBondContact O-N 3.14Å; R570-R573 PolarHBondContact O-N 3.21Å; R570-E574 HydrophobicContact CG-CG 4.47Å; R570-E574 WeakPolarHBondContact CG-OE1 3.39Å; R570-E574 IonicContact CZ-OE1 2.64Å; R570-E574 IonicContact CZ-OE2 3.22Å; R570-E574 IonicContact NH1-OE1 3.82Å; R570-E574 PolarHBondContact NH1-OE1 3.15Å; R570-E574 IonicContact NH1-OE2 3.6Å; R570-E574 PolarHBondContact NH1-OE2 3.44Å; R570-E574 WeakPolarHBondContact O-CG 3.31Å; R570-E574 PolarHBondContact O-N 2.62Å
571	K	95.1	Very high	94.1	Very high	125 Å²	125	71.7 Å²	71.7	54%	0.543	34%	0.336	S	S	.	.	H	α-helix	trans	-55.1	-44.3	175.7	-74	-178.7	-172.1	-179.4	0	111.7	E567 R573 E574 K575	E567-K571 WeakPolarHBondContact O-CB 3.46Å; E567-K571 WeakPolarHBondContact O-CG 3.35Å; E567-K571 PolarHBondContact O-N 3.41Å; E567-K571 WeakPolarHBondContact OE1-CE 3.27Å; E567-K571 IonicContact OE1-NZ 3.25Å; K571-R573 VanDerWaalsContact C-N 3.3Å; K571-R573 PolarHBondContact O-N 3.26Å; K571-E574 PolarHBondContact O-N 3.5Å; K571-K575 WeakPolarHBondContact O-CG 3.37Å; K571-K575 PolarHBondContact O-N 3.09Å
572	L	94.3	Very high	94	Very high	16 Å²	16	75.3 Å²	75.3	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-36.7	178.6	-175.5	63	0	0	0	112.4	Y424 L427 R428 C431 L568 F569 R570 K575	Y424-L572 HydrophobicContact CD2-CD1 3.98Å; Y424-L572 HydrophobicContact CE2-CD1 3.65Å; Y424-L572 HydrophobicContact CE2-CG 4.01Å; Y424-L572 VanDerWaalsContact CE2-O 3.31Å; Y424-L572 WeakPolarHBondContact CE2-O 3.41Å; Y424-L572 PolarHBondContact OH-O 3.06Å; L427-L572 HydrophobicContact CD2-CD1 4.27Å; L427-L572 HydrophobicContact CD2-CD2 4.43Å; L427-L572 HydrophobicContact CG-CD2 4.03Å; R428-L572 HydrophobicContact CB-CD2 4.14Å; C431-L572 HydrophobicContact CB-CD2 4.06Å; L568-L572 WeakPolarHBondContact O-CB 3.12Å; L568-L572 PolarHBondContact O-N 3.27Å; L568-L572 VanDerWaalsContact O-N 3.12Å; F569-L572 PolarHBondContact O-N 3.27Å; R570-L572 VanDerWaalsContact C-N 3.29Å; R570-L572 PolarHBondContact O-N 3.14Å; L572-K575 HydrophobicContact CD1-CD 4.32Å
573	R	92.6	Very high	93.8	Very high	66 Å²	66	74.9 Å²	74.9	25%	0.249	36%	0.364	C	S	.	.	H	α-helix	trans	-77.3	-34.8	-178.6	-160	174.9	78.4	162.8	12.7	113.2	N110 L112 F569 R570 K571 K575	N110-R573 PolarHBondContact O-NH1 3.23Å; N110-R573 PolarHBondContact O-NH2 2.85Å; L112-R573 VanDerWaalsContact CA-NH1 3.25Å; L112-R573 VanDerWaalsContact CD2-NE 3.31Å; F569-R573 WeakPolarHBondContact O-CB 3.34Å; F569-R573 PolarHBondContact O-N 3.42Å; R570-R573 PolarHBondContact O-N 3.21Å; K571-R573 VanDerWaalsContact C-N 3.3Å; K571-R573 PolarHBondContact O-N 3.26Å; R573-K575 VanDerWaalsContact C-N 3.26Å; R573-K575 PolarHBondContact O-N 3.28Å
574	E	93.5	Very high	93.6	Very high	116 Å²	116	77.7 Å²	77.7	54%	0.542	37%	0.373	S	S	.	.	H	α-helix	trans	-75.6	-12.5	177.9	-72	173.3	-170.9	0	0	113.2	R570 K571	R570-E574 HydrophobicContact CG-CG 4.47Å; R570-E574 WeakPolarHBondContact CG-OE1 3.39Å; R570-E574 IonicContact CZ-OE1 2.64Å; R570-E574 IonicContact CZ-OE2 3.22Å; R570-E574 IonicContact NH1-OE1 3.82Å; R570-E574 PolarHBondContact NH1-OE1 3.15Å; R570-E574 IonicContact NH1-OE2 3.6Å; R570-E574 PolarHBondContact NH1-OE2 3.44Å; R570-E574 WeakPolarHBondContact O-CG 3.31Å; R570-E574 PolarHBondContact O-N 2.62Å; K571-E574 PolarHBondContact O-N 3.5Å
575	K	92.8	Very high	93.3	Very high	79 Å²	79	72.4 Å²	72.4	34%	0.343	35%	0.35	S	S	.	.	S	Bend	trans	-50.7	126	175.9	-75.1	-166.9	178.5	-175.4	0	112	K571 L572 R573 R580	K571-K575 WeakPolarHBondContact O-CG 3.37Å; K571-K575 PolarHBondContact O-N 3.09Å; L572-K575 HydrophobicContact CD1-CD 4.32Å; R573-K575 VanDerWaalsContact C-N 3.26Å; R573-K575 PolarHBondContact O-N 3.28Å; K575-R580 HydrophobicContact CB-CG 4.33Å; K575-R580 PolarHBondContact O-NE 2.87Å; K575-R580 PolarHBondContact O-NH2 3.23Å
576	P	91.9	Very high	93.2	Very high	60 Å²	60	75 Å²	75	39%	0.39	37%	0.366	S	S	.	.			trans	-52.1	151.4	168.5	-27.6	36.6	0	0	0	111.7	D578 Q579 R580	P576-D578 VanDerWaalsContact C-N 3.27Å; P576-D578 WeakPolarHBondContact CB-OD1 2.82Å; P576-D578 PolarHBondContact O-N 3.29Å; P576-Q579 HydrophobicContact CB-CG 4.34Å; P576-Q579 PolarHBondContact O-N 2.97Å; P576-R580 WeakPolarHBondContact O-CG 3.23Å
577	R	85.8	Confident	93	Very high	208 Å²	208	76.4 Å²	76.4	79%	0.785	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-60.9	-35.8	-172.2	-74.5	-175.3	177.2	-175.6	-1.1	113.2	Q579 R580	R577-Q579 VanDerWaalsContact C-N 3.27Å; R577-Q579 PolarHBondContact O-N 3.01Å; R577-R580 PolarHBondContact O-N 3.4Å
578	D	89.8	Confident	92.8	Very high	128 Å²	128	74.1 Å²	74.1	68%	0.684	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-64.7	-25.4	175.6	53.4	-58.6	0	0	0	113.4	P576	P576-D578 VanDerWaalsContact C-N 3.27Å; P576-D578 WeakPolarHBondContact CB-OD1 2.82Å; P576-D578 PolarHBondContact O-N 3.29Å
579	Q	91.6	Very high	92.8	Very high	106 Å²	106	71.9 Å²	71.9	50%	0.495	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-97.3	7.4	-178.7	-59.6	178.4	11.8	0	0	113.4	P576 R577 T581	P576-Q579 HydrophobicContact CB-CG 4.34Å; P576-Q579 PolarHBondContact O-N 2.97Å; R577-Q579 VanDerWaalsContact C-N 3.27Å; R577-Q579 PolarHBondContact O-N 3.01Å; Q579-T581 VanDerWaalsContact C-N 3.33Å; Q579-T581 PolarHBondContact O-N 2.85Å; Q579-T581 VanDerWaalsContact O-N 3.09Å
580	R	92.1	Very high	92.7	Very high	99 Å²	99	78.5 Å²	78.5	37%	0.374	38%	0.376	S	S	.	.			trans	-86.1	73.3	-178.3	-66.7	176.4	-173.6	-165.5	-6.4	110.9	Y424 K575 P576 R577	Y424-R580 HydrophobicContact CD1-CB 4.05Å; Y424-R580 HydrophobicContact CD1-CG 4.12Å; Y424-R580 HydrophobicContact CD2-CB 3.75Å; Y424-R580 HydrophobicContact CD2-CG 3.82Å; Y424-R580 HydrophobicContact CE1-CB 4.41Å; Y424-R580 HydrophobicContact CE1-CG 3.97Å; Y424-R580 HydrophobicContact CE2-CB 4.13Å; Y424-R580 HydrophobicContact CE2-CG 3.64Å; Y424-R580 HydrophobicContact CG-CB 3.71Å; Y424-R580 HydrophobicContact CG-CG 4.06Å; K575-R580 HydrophobicContact CB-CG 4.33Å; K575-R580 PolarHBondContact O-NE 2.87Å; K575-R580 PolarHBondContact O-NH2 3.23Å; P576-R580 WeakPolarHBondContact O-CG 3.23Å; R577-R580 PolarHBondContact O-N 3.4Å
581	T	92.5	Very high	92.7	Very high	84 Å²	84	75.3 Å²	75.3	52%	0.515	36%	0.364	S	S	.	.			trans	-92.9	162.1	176.2	54.5	0	0	0	0	112.2	Q579	Q579-T581 VanDerWaalsContact C-N 3.33Å; Q579-T581 PolarHBondContact O-N 2.85Å; Q579-T581 VanDerWaalsContact O-N 3.09Å
582	P	92.9	Very high	92.6	Very high	83 Å²	83	69.3 Å²	69.3	54%	0.539	34%	0.338	S	S	.	.			trans	-58	152.1	168.1	-22.4	34.2	0	0	0	112	L422	L422-P582 VanDerWaalsContact O-CA 3.23Å; L422-P582 WeakPolarHBondContact O-CA 3.34Å
583	G	92.5	Very high	92.6	Very high	22 Å²	22	71.3 Å²	71.3	23%	0.227	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-160.1	165.8	-179.9	0	0	0	0	0	112.1	L422	L422-G583 PolarHBondContact N-O 3.41Å; L422-G583 PolarHBondContact O-N 2.86Å
584	D	91.8	Very high	92.6	Very high	84 Å²	84	71 Å²	71	45%	0.449	35%	0.352	S	S	.	.			trans	-90.3	166.8	-179.8	74.3	54.8	0	0	0	113.4	H420 L427 T586	H420-D584 WeakPolarHBondContact O-CA 3.47Å; L427-D584 WeakPolarHBondContact CD1-O 3.22Å; D584-T586 VanDerWaalsContact CG-OG1 3.29Å; D584-T586 WeakPolarHBondContact OD1-CB 3.48Å; D584-T586 PolarHBondContact OD1-N 2.99Å; D584-T586 PolarHBondContact OD1-OG1 2.91Å
585	G	90.8	Very high	92.6	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.01	33%	0.326	C	S	.	.			trans	-97.3	13.2	-177.5	0	0	0	0	0	114.2	P418 E587 T588 A589	P418-G585 CarbonylContact O-C 3.51Å; P418-G585 PolarHBondContact O-N 2.92Å; G585-E587 PolarHBondContact O-N 3.47Å; G585-T588 WeakPolarHBondContact O-CB 3.08Å; G585-T588 PolarHBondContact O-N 2.79Å; G585-T588 VanDerWaalsContact O-N 3.15Å; G585-A589 WeakPolarHBondContact O-CB 3.31Å; G585-A589 PolarHBondContact O-N 2.72Å
586	T	93.9	Very high	92.5	Very high	58 Å²	58	63.4 Å²	63.4	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-52.4	-166.2	-54.2	0	0	0	0	112.9	P418 D584 T588 A589 R590	P418-T586 PolarHBondContact O-N 3.28Å; P418-T586 PolarHBondContact O-OG1 2.97Å; D584-T586 VanDerWaalsContact CG-OG1 3.29Å; D584-T586 WeakPolarHBondContact OD1-CB 3.48Å; D584-T586 PolarHBondContact OD1-N 2.99Å; D584-T586 PolarHBondContact OD1-OG1 2.91Å; T586-T588 VanDerWaalsContact C-N 3.3Å; T586-T588 PolarHBondContact O-N 2.88Å; T586-A589 PolarHBondContact O-N 3.33Å; T586-R590 WeakPolarHBondContact O-CB 3.06Å; T586-R590 PolarHBondContact O-N 2.87Å
587	E	93.6	Very high	92.4	Very high	87 Å²	87	66.3 Å²	66.3	41%	0.407	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-35.3	179.6	-174.1	58.8	-159.5	0	0	111.7	L568 G585 R590 L591	L568-E587 HydrophobicContact CD2-CB 4.34Å; L568-E587 HydrophobicContact CD2-CG 4.09Å; G585-E587 PolarHBondContact O-N 3.47Å; E587-R590 PolarHBondContact O-N 3.14Å; E587-R590 IonicContact OE2-NE 3.73Å; E587-L591 HydrophobicContact CG-CD1 4.46Å; E587-L591 WeakPolarHBondContact O-CG 3.25Å; E587-L591 PolarHBondContact O-N 3.15Å
588	T	93.3	Very high	92.6	Very high	9 Å²	9	58.1 Å²	58.1	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-45.1	177.5	-63.6	0	0	0	0	110.8	I414 V434 L568 G585 T586 M592	I414-T588 HydrophobicContact CD1-CG2 3.65Å; V434-T588 HydrophobicContact CB-CG2 3.6Å; V434-T588 HydrophobicContact CG1-CG2 3.89Å; V434-T588 HydrophobicContact CG2-CG2 3.42Å; V434-T588 VanDerWaalsContact CG2-CG2 3.42Å; L568-T588 WeakPolarHBondContact CD2-OG1 3.01Å; G585-T588 WeakPolarHBondContact O-CB 3.08Å; G585-T588 PolarHBondContact O-N 2.79Å; G585-T588 VanDerWaalsContact O-N 3.15Å; T586-T588 VanDerWaalsContact C-N 3.3Å; T586-T588 PolarHBondContact O-N 2.88Å; T588-M592 PolarHBondContact O-N 3.01Å; T588-M592 VanDerWaalsContact O-N 3.17Å
589	A	94.1	Very high	92.6	Very high	6 Å²	6	53.2 Å²	53.2	5%	0.05	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-41.2	175.7	0	0	0	0	0	111.8	I414 P418 G585 T586 M592 V593	I414-A589 HydrophobicContact CD1-CB 4.28Å; P418-A589 HydrophobicContact CB-CB 4.1Å; P418-A589 HydrophobicContact CG-CB 4.34Å; G585-A589 WeakPolarHBondContact O-CB 3.31Å; G585-A589 PolarHBondContact O-N 2.72Å; T586-A589 PolarHBondContact O-N 3.33Å; A589-M592 PolarHBondContact O-N 3.28Å; A589-V593 WeakPolarHBondContact O-CG2 3.29Å; A589-V593 PolarHBondContact O-N 2.92Å
590	R	95.5	Very high	92.4	Very high	141 Å²	141	51.6 Å²	51.6	53%	0.532	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-49.4	176.8	175.7	-177.2	148.1	107.8	2.3	112	T586 E587 M592 V593 Q594	T586-R590 WeakPolarHBondContact O-CB 3.06Å; T586-R590 PolarHBondContact O-N 2.87Å; E587-R590 PolarHBondContact O-N 3.14Å; E587-R590 IonicContact OE2-NE 3.73Å; R590-M592 VanDerWaalsContact C-N 3.34Å; R590-M592 PolarHBondContact O-N 3.34Å; R590-V593 PolarHBondContact O-N 3.46Å; R590-Q594 WeakPolarHBondContact O-CG 3.25Å; R590-Q594 PolarHBondContact O-N 3.3Å
591	L	95.8	Very high	92.1	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-42	177.9	-70.5	172.6	0	0	0	111.8	I438 L561 K564 A565 L568 E587 Q594 A595	I438-L591 HydrophobicContact CD1-CB 4.1Å; L561-L591 HydrophobicContact CD2-CD2 3.98Å; K564-L591 HydrophobicContact CB-CD1 4.34Å; K564-L591 HydrophobicContact CB-CD2 3.98Å; K564-L591 HydrophobicContact CD-CD2 4.25Å; A565-L591 HydrophobicContact CB-CD1 4.14Å; L568-L591 HydrophobicContact CD2-CD1 4.16Å; E587-L591 HydrophobicContact CG-CD1 4.46Å; E587-L591 WeakPolarHBondContact O-CG 3.25Å; E587-L591 PolarHBondContact O-N 3.15Å; L591-Q594 PolarHBondContact O-N 3.27Å; L591-A595 WeakPolarHBondContact O-CB 3.46Å; L591-A595 PolarHBondContact O-N 3.47Å
592	M	94.5	Very high	91.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-47.6	177	-173.7	71.1	-121.7	0	0	111.8	L407 I411 V434 T437 I438 L441 T588 A589 R590 A595 V596	L407-M592 HydrophobicContact CD2-CE 3.89Å; I411-M592 HydrophobicContact CD1-SD 4.3Å; I411-M592 HydrophobicContact CG2-CG 3.8Å; I411-M592 HydrophobicContact CG2-SD 4.1Å; V434-M592 HydrophobicContact CG1-CB 3.96Å; V434-M592 HydrophobicContact CG1-SD 4.21Å; V434-M592 HydrophobicContact CG2-CB 4.33Å; V434-M592 HydrophobicContact CG2-SD 4.33Å; T437-M592 HydrophobicContact CG2-CE 3.63Å; T437-M592 HydrophobicContact CG2-SD 3.98Å; I438-M592 HydrophobicContact CG1-SD 4.44Å; L441-M592 HydrophobicContact CD1-CE 4.08Å; T588-M592 PolarHBondContact O-N 3.01Å; T588-M592 VanDerWaalsContact O-N 3.17Å; A589-M592 PolarHBondContact O-N 3.28Å; R590-M592 VanDerWaalsContact C-N 3.34Å; R590-M592 PolarHBondContact O-N 3.34Å; M592-A595 PolarHBondContact O-N 2.73Å; M592-V596 HydrophobicContact CE-CG2 3.29Å; M592-V596 WeakPolarHBondContact O-CG2 3.19Å; M592-V596 PolarHBondContact O-N 2.92Å
593	V	92.5	Very high	91.6	Very high	57 Å²	57	47.3 Å²	47.3	35%	0.345	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-44.7	179	171.5	0	0	0	0	111	A589 R590 A595 V596 Q597	A589-V593 WeakPolarHBondContact O-CG2 3.29Å; A589-V593 PolarHBondContact O-N 2.92Å; R590-V593 PolarHBondContact O-N 3.46Å; V593-A595 VanDerWaalsContact C-N 3.32Å; V593-A595 PolarHBondContact O-N 2.84Å; V593-V596 PolarHBondContact O-N 3.36Å; V593-Q597 HydrophobicContact CG1-CG 4.29Å; V593-Q597 WeakPolarHBondContact O-CB 3.21Å; V593-Q597 VanDerWaalsContact O-CG 3.3Å; V593-Q597 WeakPolarHBondContact O-CG 3.28Å; V593-Q597 PolarHBondContact O-N 3.36Å
594	Q	93.8	Very high	91.3	Very high	59 Å²	59	51.6 Å²	51.6	28%	0.276	24%	0.242	S	C	.	.	H	α-helix	trans	-59.8	-42.3	176.9	-73.5	178.9	-5.1	0	0	112.1	L561 R590 L591 F598	L561-Q594 HydrophobicContact CD1-CB 4.22Å; L561-Q594 HydrophobicContact CD2-CB 4.04Å; R590-Q594 WeakPolarHBondContact O-CG 3.25Å; R590-Q594 PolarHBondContact O-N 3.3Å; L591-Q594 PolarHBondContact O-N 3.27Å; Q594-F598 VanDerWaalsContact O-CB 3.24Å; Q594-F598 WeakPolarHBondContact O-CB 3.32Å; Q594-F598 PolarHBondContact O-N 2.93Å
595	A	93.6	Very high	91.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-44.9	179.3	0	0	0	0	0	112.6	I438 L441 L558 L561 L591 M592 V593 F598 Y599	I438-A595 HydrophobicContact CB-CB 4.41Å; I438-A595 HydrophobicContact CD1-CB 4.22Å; I438-A595 HydrophobicContact CG1-CB 3.72Å; I438-A595 HydrophobicContact CG2-CB 4.07Å; L441-A595 HydrophobicContact CD1-CB 4.2Å; L558-A595 HydrophobicContact CD2-CB 4.28Å; L561-A595 HydrophobicContact CD1-CB 4.18Å; L591-A595 WeakPolarHBondContact O-CB 3.46Å; L591-A595 PolarHBondContact O-N 3.47Å; M592-A595 PolarHBondContact O-N 2.73Å; V593-A595 VanDerWaalsContact C-N 3.32Å; V593-A595 PolarHBondContact O-N 2.84Å; A595-F598 PolarHBondContact O-N 2.68Å; A595-Y599 VanDerWaalsContact O-CB 3.31Å; A595-Y599 WeakPolarHBondContact O-CB 3.39Å; A595-Y599 PolarHBondContact O-N 2.95Å
596	V	91.3	Very high	91	Very high	37 Å²	37	51.5 Å²	51.5	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-49.4	177.7	175.2	0	0	0	0	110.9	L441 M592 V593 F598 Y599 E600	L441-V596 HydrophobicContact CD1-CG2 4.17Å; M592-V596 HydrophobicContact CE-CG2 3.29Å; M592-V596 WeakPolarHBondContact O-CG2 3.19Å; M592-V596 PolarHBondContact O-N 2.92Å; V593-V596 PolarHBondContact O-N 3.36Å; V596-F598 VanDerWaalsContact C-N 3.29Å; V596-F598 PolarHBondContact O-N 3.12Å; V596-Y599 PolarHBondContact O-N 2.86Å; V596-E600 HydrophobicContact CG1-CG 4.28Å; V596-E600 WeakPolarHBondContact CG1-OE1 3.27Å; V596-E600 WeakPolarHBondContact O-CG 3.46Å; V596-E600 PolarHBondContact O-N 3Å
597	Q	89.8	Confident	90.9	Very high	121 Å²	121	49 Å²	49	57%	0.565	22%	0.224	S	C	*	.	H	α-helix	trans	-60.2	-41.2	-180	-73.5	177.1	-16	0	0	112	V593 K601	V593-Q597 HydrophobicContact CG1-CG 4.29Å; V593-Q597 WeakPolarHBondContact O-CB 3.21Å; V593-Q597 VanDerWaalsContact O-CG 3.3Å; V593-Q597 WeakPolarHBondContact O-CG 3.28Å; V593-Q597 PolarHBondContact O-N 3.36Å; Q597-K601 WeakPolarHBondContact O-CB 3.33Å; Q597-K601 PolarHBondContact O-N 3.3Å; Q597-K601 VanDerWaalsContact O-N 3.08Å
598	F	89.4	Confident	90.7	Very high	35 Å²	35	48.7 Å²	48.7	15%	0.154	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-47.2	176.1	-179	-87.9	0	0	0	111.6	T557 L558 Q594 A595 V596 E600 K601 K602	T557-F598 VanDerWaalsContact CB-CZ 3.48Å; T557-F598 HydrophobicContact CG2-CD2 3.78Å; T557-F598 HydrophobicContact CG2-CE2 3.75Å; T557-F598 HydrophobicContact CG2-CG 4.36Å; T557-F598 HydrophobicContact CG2-CZ 4.28Å; T557-F598 WeakPolarHBondContact OG1-CE2 3.44Å; L558-F598 HydrophobicContact CB-CE1 4.47Å; L558-F598 HydrophobicContact CD1-CD1 3.94Å; L558-F598 HydrophobicContact CD1-CE1 3.97Å; L558-F598 HydrophobicContact CD2-CD1 4.07Å; L558-F598 HydrophobicContact CG-CD1 3.52Å; L558-F598 HydrophobicContact CG-CE1 3.7Å; Q594-F598 VanDerWaalsContact O-CB 3.24Å; Q594-F598 WeakPolarHBondContact O-CB 3.32Å; Q594-F598 PolarHBondContact O-N 2.93Å; A595-F598 PolarHBondContact O-N 2.68Å; V596-F598 VanDerWaalsContact C-N 3.29Å; V596-F598 PolarHBondContact O-N 3.12Å; F598-E600 PolarHBondContact O-N 2.9Å; F598-K601 PolarHBondContact O-N 3.03Å; F598-K602 HydrophobicContact CD1-CG 3.98Å; F598-K602 HydrophobicContact CE1-CD 4.44Å; F598-K602 HydrophobicContact CE1-CG 3.5Å; F598-K602 HydrophobicContact CE2-CG 4.22Å; F598-K602 HydrophobicContact CZ-CD 4.14Å; F598-K602 VanDerWaalsContact CZ-CE 3.46Å; F598-K602 HydrophobicContact CZ-CG 3.63Å; F598-K602 WeakPolarHBondContact O-CG 3.36Å; F598-K602 PolarHBondContact O-N 3.29Å
599	Y	88.9	Confident	90.6	Very high	26 Å²	26	49.1 Å²	49.1	10%	0.102	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-48.5	179	-177.6	-91.5	0	0	0	111.5	L441 D444 W445 L558 A595 V596 K601 K602 L603	L441-Y599 HydrophobicContact CB-CD2 4.1Å; L441-Y599 HydrophobicContact CB-CG 4.49Å; L441-Y599 HydrophobicContact CD2-CD1 4.07Å; L441-Y599 HydrophobicContact CD2-CD2 4.19Å; L441-Y599 HydrophobicContact CD2-CE1 4.36Å; L441-Y599 HydrophobicContact CD2-CE2 4.46Å; L441-Y599 HydrophobicContact CD2-CG 3.98Å; L441-Y599 WeakPolarHBondContact O-CD2 3.21Å; L441-Y599 VanDerWaalsContact O-CE2 3.27Å; L441-Y599 WeakPolarHBondContact O-CE2 3.25Å; D444-Y599 HydrophobicContact CB-CE2 4.17Å; W445-Y599 HydrophobicContact CB-CD2 4.29Å; W445-Y599 HydrophobicContact CB-CE2 3.94Å; L558-Y599 HydrophobicContact CD1-CD2 4.24Å; A595-Y599 VanDerWaalsContact O-CB 3.31Å; A595-Y599 WeakPolarHBondContact O-CB 3.39Å; A595-Y599 PolarHBondContact O-N 2.95Å; V596-Y599 PolarHBondContact O-N 2.86Å; Y599-K601 VanDerWaalsContact C-N 3.33Å; Y599-K601 PolarHBondContact O-N 3.35Å; Y599-K602 PolarHBondContact O-N 2.84Å; Y599-L603 HydrophobicContact CE1-CD2 4.26Å; Y599-L603 WeakPolarHBondContact O-CB 3.34Å; Y599-L603 PolarHBondContact O-N 3.14Å
600	E	87.5	Confident	90.5	Very high	71 Å²	71	48.9 Å²	48.9	33%	0.332	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-39.3	178.1	-72.3	176.2	177.7	0	0	112.7	F402 V596 F598 L603 R604	F402-E600 HydrophobicContact CE1-CB 4.49Å; V596-E600 HydrophobicContact CG1-CG 4.28Å; V596-E600 WeakPolarHBondContact CG1-OE1 3.27Å; V596-E600 WeakPolarHBondContact O-CG 3.46Å; V596-E600 PolarHBondContact O-N 3Å; F598-E600 PolarHBondContact O-N 2.9Å; E600-L603 PolarHBondContact O-N 2.83Å; E600-R604 PolarHBondContact O-N 2.86Å; E600-R604 PolarHBondContact O-NH1 2.89Å
601	K	87.2	Confident	90.4	Very high	123 Å²	123	43.3 Å²	43.3	54%	0.535	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-48.9	174.5	-176.2	-177.4	177	-179.7	0	110.8	Q597 F598 Y599 L603 R604 D605	Q597-K601 WeakPolarHBondContact O-CB 3.33Å; Q597-K601 PolarHBondContact O-N 3.3Å; Q597-K601 VanDerWaalsContact O-N 3.08Å; F598-K601 PolarHBondContact O-N 3.03Å; Y599-K601 VanDerWaalsContact C-N 3.33Å; Y599-K601 PolarHBondContact O-N 3.35Å; K601-L603 VanDerWaalsContact C-N 3.29Å; K601-L603 PolarHBondContact O-N 3.41Å; K601-R604 WeakPolarHBondContact O-CB 3.43Å; K601-R604 PolarHBondContact O-N 2.87Å; K601-D605 PolarHBondContact O-N 3.01Å
602	K	86.2	Confident	90.2	Very high	39 Å²	39	48.6 Å²	48.6	17%	0.17	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-32.8	179.9	-74.7	-61.9	-176.6	-178.8	0	113.3	W445 S554 F598 Y599 R604 D605 F606	W445-K602 HydrophobicContact CE3-CB 4.28Å; W445-K602 HydrophobicContact CH2-CB 3.78Å; W445-K602 HydrophobicContact CZ2-CB 4.25Å; W445-K602 HydrophobicContact CZ3-CB 3.8Å; S554-K602 VanDerWaalsContact CB-NZ 3.31Å; S554-K602 VanDerWaalsContact OG-CE 3.32Å; S554-K602 WeakPolarHBondContact OG-CE 3.34Å; S554-K602 PolarHBondContact OG-NZ 3.09Å; F598-K602 HydrophobicContact CD1-CG 3.98Å; F598-K602 HydrophobicContact CE1-CD 4.44Å; F598-K602 HydrophobicContact CE1-CG 3.5Å; F598-K602 HydrophobicContact CE2-CG 4.22Å; F598-K602 HydrophobicContact CZ-CD 4.14Å; F598-K602 VanDerWaalsContact CZ-CE 3.46Å; F598-K602 HydrophobicContact CZ-CG 3.63Å; F598-K602 WeakPolarHBondContact O-CG 3.36Å; F598-K602 PolarHBondContact O-N 3.29Å; Y599-K602 PolarHBondContact O-N 2.84Å; K602-R604 VanDerWaalsContact C-N 3.31Å; K602-R604 PolarHBondContact O-N 2.91Å; K602-D605 PolarHBondContact O-N 2.8Å; K602-F606 VanDerWaalsContact O-CB 3.3Å; K602-F606 WeakPolarHBondContact O-CB 3.3Å; K602-F606 PolarHBondContact O-N 3.5Å
603	L	86.8	Confident	90.2	Very high	15 Å²	15	48.7 Å²	48.7	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-38	175.2	-166.8	63.3	0	0	0	111.7	F402 L448 Y599 E600 K601 F606 Y607	F402-L603 HydrophobicContact CE1-CD2 4.36Å; L448-L603 HydrophobicContact CD1-CD1 3.52Å; Y599-L603 HydrophobicContact CE1-CD2 4.26Å; Y599-L603 WeakPolarHBondContact O-CB 3.34Å; Y599-L603 PolarHBondContact O-N 3.14Å; E600-L603 PolarHBondContact O-N 2.83Å; K601-L603 VanDerWaalsContact C-N 3.29Å; K601-L603 PolarHBondContact O-N 3.41Å; L603-F606 HydrophobicContact CD1-CD1 4.42Å; L603-F606 WeakPolarHBondContact O-CB 3.28Å; L603-F606 PolarHBondContact O-N 2.93Å; L603-Y607 HydrophobicContact CD1-CD2 4.04Å; L603-Y607 HydrophobicContact CD1-CE2 3.57Å; L603-Y607 HydrophobicContact CD2-CE2 4.27Å; L603-Y607 HydrophobicContact CG-CD2 3.9Å; L603-Y607 HydrophobicContact CG-CE2 3.67Å; L603-Y607 WeakPolarHBondContact O-CD2 3.47Å; L603-Y607 PolarHBondContact O-N 3.34Å; L603-Y607 VanDerWaalsContact O-N 3.09Å
604	R	87.7	Confident	90.2	Very high	112 Å²	112	46.8 Å²	46.8	42%	0.423	23%	0.225	S	C	.	.	H	α-helix	trans	-63.6	-47.5	173.9	-70.5	-171.2	-73.1	-86.4	2.2	112.7	P400 F402 E600 K601 K602 F606 Y607 T608	P400-R604 HydrophobicContact CG-CG 4.3Å; F402-R604 HydrophobicContact CE1-CG 4.38Å; F402-R604 HydrophobicContact CE2-CG 4.41Å; F402-R604 HydrophobicContact CZ-CG 3.53Å; E600-R604 PolarHBondContact O-N 2.86Å; E600-R604 PolarHBondContact O-NH1 2.89Å; K601-R604 WeakPolarHBondContact O-CB 3.43Å; K601-R604 PolarHBondContact O-N 2.87Å; K602-R604 VanDerWaalsContact C-N 3.31Å; K602-R604 PolarHBondContact O-N 2.91Å; R604-F606 VanDerWaalsContact C-N 3.26Å; R604-F606 PolarHBondContact O-N 3.44Å; R604-Y607 PolarHBondContact O-N 2.8Å; R604-T608 PolarHBondContact O-N 3.22Å; R604-T608 PolarHBondContact O-OG1 2.79Å; R604-T608 VanDerWaalsContact O-OG1 3.06Å
605	D	87.2	Confident	90.2	Very high	74 Å²	74	48.1 Å²	48.1	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-59.7	-42.8	177.9	-60	-17.3	0	0	0	109.9	K601 K602 T608 V609	K601-D605 PolarHBondContact O-N 3.01Å; K602-D605 PolarHBondContact O-N 2.8Å; D605-T608 WeakPolarHBondContact O-CB 3.24Å; D605-T608 PolarHBondContact O-N 3.09Å; D605-V609 PolarHBondContact O-N 2.9Å
606	F	89.4	Confident	90.3	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-56.1	-52.6	176.8	172.8	-93.8	0	0	0	112.7	M318 W445 L448 Q452 K602 L603 R604 T608 V609 L610	M318-F606 HydrophobicContact CE-CE1 4.31Å; M318-F606 HydrophobicContact CE-CZ 3.68Å; W445-F606 HydrophobicContact CH2-CB 3.9Å; W445-F606 HydrophobicContact CH2-CD2 4.31Å; W445-F606 HydrophobicContact CH2-CG 4.5Å; W445-F606 HydrophobicContact CZ3-CB 3.81Å; W445-F606 HydrophobicContact CZ3-CD2 4.3Å; W445-F606 HydrophobicContact CZ3-CG 4.26Å; L448-F606 HydrophobicContact CB-CD2 4.49Å; L448-F606 HydrophobicContact CB-CE1 4.39Å; L448-F606 HydrophobicContact CB-CE2 3.94Å; L448-F606 HydrophobicContact CB-CZ 3.9Å; L448-F606 HydrophobicContact CD2-CE1 4.15Å; L448-F606 HydrophobicContact CD2-CZ 4.23Å; L448-F606 VanDerWaalsContact O-CE2 3.26Å; L448-F606 WeakPolarHBondContact O-CE2 3.39Å; L448-F606 WeakPolarHBondContact O-CZ 3.41Å; Q452-F606 HydrophobicContact CB-CE2 3.61Å; Q452-F606 HydrophobicContact CB-CZ 4.1Å; Q452-F606 HydrophobicContact CG-CE2 4.24Å; K602-F606 VanDerWaalsContact O-CB 3.3Å; K602-F606 WeakPolarHBondContact O-CB 3.3Å; K602-F606 PolarHBondContact O-N 3.5Å; L603-F606 HydrophobicContact CD1-CD1 4.42Å; L603-F606 WeakPolarHBondContact O-CB 3.28Å; L603-F606 PolarHBondContact O-N 2.93Å; R604-F606 VanDerWaalsContact C-N 3.26Å; R604-F606 PolarHBondContact O-N 3.44Å; F606-T608 PolarHBondContact O-N 2.75Å; F606-V609 PolarHBondContact O-N 3.43Å; F606-L610 HydrophobicContact CE1-CB 4.41Å; F606-L610 HydrophobicContact CE1-CD2 3.84Å; F606-L610 HydrophobicContact CZ-CD2 4.27Å; F606-L610 PolarHBondContact O-N 3Å
607	Y	91.2	Very high	90.4	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-27.5	-177.6	-83.6	-65.3	0	0	0	113.4	M318 M319 A321 Y398 P400 L603 R604 L610 S611	M318-Y607 WeakPolarHBondContact O-CE1 3.34Å; M318-Y607 PolarHBondContact O-OH 3.16Å; M319-Y607 PolarHBondContact O-OH 3.13Å; A321-Y607 PolarHBondContact N-OH 2.77Å; Y398-Y607 HydrophobicContact CD1-CE1 4.41Å; P400-Y607 HydrophobicContact CB-CD2 3.63Å; P400-Y607 HydrophobicContact CB-CE2 4.01Å; P400-Y607 HydrophobicContact CB-CG 4.44Å; P400-Y607 HydrophobicContact CG-CD2 4.48Å; L603-Y607 HydrophobicContact CD1-CD2 4.04Å; L603-Y607 HydrophobicContact CD1-CE2 3.57Å; L603-Y607 HydrophobicContact CD2-CE2 4.27Å; L603-Y607 HydrophobicContact CG-CD2 3.9Å; L603-Y607 HydrophobicContact CG-CE2 3.67Å; L603-Y607 WeakPolarHBondContact O-CD2 3.47Å; L603-Y607 PolarHBondContact O-N 3.34Å; L603-Y607 VanDerWaalsContact O-N 3.09Å; R604-Y607 PolarHBondContact O-N 2.8Å; Y607-L610 HydrophobicContact CD1-CD2 4Å; Y607-L610 HydrophobicContact CE1-CD2 4.08Å; Y607-S611 WeakPolarHBondContact O-CB 3.41Å; Y607-S611 PolarHBondContact O-N 2.81Å; Y607-S611 PolarHBondContact O-OG 2.73Å
608	T	90.1	Very high	90.6	Very high	82 Å²	82	47 Å²	47	50%	0.503	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-45.3	171.3	-55.9	0	0	0	0	111	R604 D605 F606 K612	R604-T608 PolarHBondContact O-N 3.22Å; R604-T608 PolarHBondContact O-OG1 2.79Å; R604-T608 VanDerWaalsContact O-OG1 3.06Å; D605-T608 WeakPolarHBondContact O-CB 3.24Å; D605-T608 PolarHBondContact O-N 3.09Å; F606-T608 PolarHBondContact O-N 2.75Å; T608-K612 WeakPolarHBondContact O-CG 3.47Å; T608-K612 PolarHBondContact O-N 2.76Å
609	V	89.6	Confident	90.8	Very high	17 Å²	17	49 Å²	49	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-71.9	-38.8	179	-178.8	0	0	0	0	111.5	Q550 W552 D605 F606 S611 K612 T613	Q550-V609 HydrophobicContact CG-CG1 4.03Å; Q550-V609 HydrophobicContact CG-CG2 4.47Å; Q550-V609 VanDerWaalsContact OE1-CG2 3.28Å; W552-V609 HydrophobicContact CH2-CG1 3.7Å; W552-V609 HydrophobicContact CZ3-CG1 4.34Å; D605-V609 PolarHBondContact O-N 2.9Å; F606-V609 PolarHBondContact O-N 3.43Å; V609-S611 VanDerWaalsContact C-N 3.34Å; V609-S611 PolarHBondContact O-N 2.96Å; V609-K612 PolarHBondContact O-N 3.1Å; V609-T613 PolarHBondContact O-N 3.15Å; V609-T613 PolarHBondContact O-OG1 2.68Å
610	L	92.1	Very high	91.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-44.2	174.9	178.6	57.9	0	0	0	111.1	M318 F391 Y398 Q452 F606 Y607 K612 T613 A614	M318-L610 HydrophobicContact CB-CD2 4.41Å; M318-L610 HydrophobicContact CE-CD2 4.5Å; F391-L610 HydrophobicContact CD1-CD1 4.32Å; F391-L610 HydrophobicContact CE1-CD1 3.76Å; Y398-L610 HydrophobicContact CD1-CD2 3.36Å; Y398-L610 HydrophobicContact CD1-CG 3.88Å; Y398-L610 HydrophobicContact CD2-CG 4.25Å; Y398-L610 HydrophobicContact CE1-CD2 3.85Å; Y398-L610 HydrophobicContact CE1-CG 4.26Å; Y398-L610 HydrophobicContact CG-CD2 3.82Å; Y398-L610 HydrophobicContact CG-CG 3.91Å; Q452-L610 VanDerWaalsContact OE1-CA 3.29Å; F606-L610 HydrophobicContact CE1-CB 4.41Å; F606-L610 HydrophobicContact CE1-CD2 3.84Å; F606-L610 HydrophobicContact CZ-CD2 4.27Å; F606-L610 PolarHBondContact O-N 3Å; Y607-L610 HydrophobicContact CD1-CD2 4Å; Y607-L610 HydrophobicContact CE1-CD2 4.08Å; L610-K612 PolarHBondContact O-N 3.27Å; L610-T613 WeakPolarHBondContact O-CB 3.28Å; L610-T613 PolarHBondContact O-N 3.1Å; L610-T613 VanDerWaalsContact O-N 3.12Å; L610-A614 PolarHBondContact O-N 2.65Å
611	S	93.6	Very high	91.3	Very high	24 Å²	24	48 Å²	48	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-43.2	175.2	-58.5	0	0	0	0	112.3	Y398 Y607 V609 T613 A614 M615	Y398-S611 PolarHBondContact N-OG 3.28Å; Y398-S611 PolarHBondContact O-OG 2.9Å; Y607-S611 WeakPolarHBondContact O-CB 3.41Å; Y607-S611 PolarHBondContact O-N 2.81Å; Y607-S611 PolarHBondContact O-OG 2.73Å; V609-S611 VanDerWaalsContact C-N 3.34Å; V609-S611 PolarHBondContact O-N 2.96Å; S611-T613 VanDerWaalsContact C-N 3.27Å; S611-T613 PolarHBondContact O-N 3.05Å; S611-A614 PolarHBondContact O-N 3.32Å; S611-M615 WeakPolarHBondContact O-CB 3.43Å; S611-M615 PolarHBondContact O-N 3.44Å
612	K	92.7	Very high	91.6	Very high	114 Å²	114	46.4 Å²	46.4	50%	0.496	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-38.6	174.1	-71.6	-178	178.8	-169.6	0	112.2	V547 T608 V609 L610 M615 C616	V547-K612 HydrophobicContact CG2-CB 4.06Å; T608-K612 WeakPolarHBondContact O-CG 3.47Å; T608-K612 PolarHBondContact O-N 2.76Å; V609-K612 PolarHBondContact O-N 3.1Å; L610-K612 PolarHBondContact O-N 3.27Å; K612-M615 PolarHBondContact O-N 2.95Å; K612-C616 PolarHBondContact O-N 3.41Å; K612-C616 PolarHBondContact O-SG 3.01Å
613	T	93.5	Very high	92.1	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-46	178	-51.2	0	0	0	0	111.1	Q452 A455 I456 L459 V547 V609 L610 S611 M615 C616 R617	Q452-T613 PolarHBondContact NE2-OG1 3Å; A455-T613 HydrophobicContact CB-CG2 4.2Å; I456-T613 HydrophobicContact CG1-CG2 3.88Å; L459-T613 HydrophobicContact CD2-CG2 4.14Å; V547-T613 HydrophobicContact CG1-CG2 4.16Å; V547-T613 VanDerWaalsContact CG1-OG1 3.23Å; V547-T613 WeakPolarHBondContact CG1-OG1 3.34Å; V609-T613 PolarHBondContact O-N 3.15Å; V609-T613 PolarHBondContact O-OG1 2.68Å; L610-T613 WeakPolarHBondContact O-CB 3.28Å; L610-T613 PolarHBondContact O-N 3.1Å; L610-T613 VanDerWaalsContact O-N 3.12Å; S611-T613 VanDerWaalsContact C-N 3.27Å; S611-T613 PolarHBondContact O-N 3.05Å; T613-M615 VanDerWaalsContact C-N 3.34Å; T613-M615 PolarHBondContact O-N 2.94Å; T613-C616 PolarHBondContact O-N 3.05Å; T613-R617 WeakPolarHBondContact O-CB 3.09Å; T613-R617 PolarHBondContact O-N 3.18Å
614	A	93.1	Very high	92.4	Very high	16 Å²	16	45.5 Å²	45.5	13%	0.132	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-41.9	175.8	0	0	0	0	0	111.7	Y398 L610 S611 R617 H618	Y398-A614 HydrophobicContact CD2-CB 4.17Å; Y398-A614 HydrophobicContact CE2-CB 3.65Å; L610-A614 PolarHBondContact O-N 2.65Å; S611-A614 PolarHBondContact O-N 3.32Å; A614-R617 WeakPolarHBondContact O-CB 3.46Å; A614-R617 PolarHBondContact O-N 3.18Å; A614-H618 WeakPolarHBondContact O-CB 3.39Å; A614-H618 PolarHBondContact O-N 3.26Å
615	M	94.3	Very high	92.8	Very high	88 Å²	88	43.4 Å²	43.4	43%	0.433	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-46.9	175.4	-171.6	64.9	69.1	0	0	112.3	C396 S611 K612 T613 R617 H618 R619	C396-M615 HydrophobicContact CB-CE 3.65Å; C396-M615 HydrophobicContact CB-SD 4.17Å; S611-M615 WeakPolarHBondContact O-CB 3.43Å; S611-M615 PolarHBondContact O-N 3.44Å; K612-M615 PolarHBondContact O-N 2.95Å; T613-M615 VanDerWaalsContact C-N 3.34Å; T613-M615 PolarHBondContact O-N 2.94Å; M615-R617 VanDerWaalsContact C-N 3.28Å; M615-R617 PolarHBondContact O-N 2.73Å; M615-H618 PolarHBondContact O-N 3.47Å; M615-R619 WeakPolarHBondContact O-CG 3.13Å; M615-R619 PolarHBondContact O-N 2.98Å
616	C	94.8	Very high	93.2	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-44.3	175.9	-67.7	0	0	0	0	110.8	L459 I544 K612 T613 R619 V620	L459-C616 HydrophobicContact CD1-CB 4.09Å; L459-C616 HydrophobicContact CD2-CB 3.8Å; I544-C616 HydrophobicContact CG1-CB 4.17Å; K612-C616 PolarHBondContact O-N 3.41Å; K612-C616 PolarHBondContact O-SG 3.01Å; T613-C616 PolarHBondContact O-N 3.05Å; C616-R619 PolarHBondContact O-N 3.05Å; C616-V620 WeakPolarHBondContact O-CG2 3.31Å; C616-V620 PolarHBondContact O-N 2.97Å
617	R	93.1	Very high	93.4	Very high	41 Å²	41	43 Å²	43	16%	0.155	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-47.6	177.9	-179.1	-169.9	152.1	89.6	3.3	111.7	E353 S458 L459 H462 T613 A614 M615 R619 V620 M621	E353-R617 VanDerWaalsContact CD-NH1 3.33Å; E353-R617 IonicContact OE1-CZ 3.3Å; E353-R617 IonicContact OE1-NH1 2.97Å; E353-R617 PolarHBondContact OE1-NH1 2.74Å; E353-R617 IonicContact OE1-NH2 2.63Å; E353-R617 PolarHBondContact OE1-NH2 3.33Å; E353-R617 IonicContact OE2-CZ 2.81Å; E353-R617 IonicContact OE2-NE 2.64Å; E353-R617 PolarHBondContact OE2-NE 2.47Å; E353-R617 IonicContact OE2-NH1 3.7Å; E353-R617 PolarHBondContact OE2-NH1 3.3Å; E353-R617 IonicContact OE2-NH2 2.75Å; E353-R617 PolarHBondContact OE2-NH2 2.71Å; S458-R617 PolarHBondContact OG-NH1 2.74Å; S458-R617 VanDerWaalsContact OG-NH1 3.1Å; L459-R617 HydrophobicContact CD1-CB 4.08Å; H462-R617 PolarHBondContact CE1-NH1 2.92Å; T613-R617 WeakPolarHBondContact O-CB 3.09Å; T613-R617 PolarHBondContact O-N 3.18Å; A614-R617 WeakPolarHBondContact O-CB 3.46Å; A614-R617 PolarHBondContact O-N 3.18Å; M615-R617 VanDerWaalsContact C-N 3.28Å; M615-R617 PolarHBondContact O-N 2.73Å; R617-R619 VanDerWaalsContact C-N 3.31Å; R617-R619 PolarHBondContact O-N 3.3Å; R617-V620 PolarHBondContact O-N 2.84Å; R617-V620 VanDerWaalsContact O-N 3.16Å; R617-M621 HydrophobicContact CG-CG 4.36Å; R617-M621 WeakPolarHBondContact O-CG 3.36Å; R617-M621 PolarHBondContact O-N 3.03Å
618	H	93.4	Very high	93.5	Very high	88 Å²	88	47.1 Å²	47.1	41%	0.407	23%	0.234	S	C	.	.	H	α-helix	trans	-56	-47.1	176.9	-179.6	-78.1	0	0	0	111.1	C396 A614 M615 V620 M621 E622	C396-H618 WeakPolarHBondContact SG-CB 3.4Å; A614-H618 WeakPolarHBondContact O-CB 3.39Å; A614-H618 PolarHBondContact O-N 3.26Å; M615-H618 PolarHBondContact O-N 3.47Å; H618-V620 PolarHBondContact O-N 3.36Å; H618-M621 PolarHBondContact O-N 3.32Å; H618-E622 IonicContact CE1-OE2 2.73Å; H618-E622 IonicContact ND1-OE2 3.61Å; H618-E622 WeakPolarHBondContact O-CB 3.46Å; H618-E622 PolarHBondContact O-N 3.42Å
619	R	94.7	Very high	93.7	Very high	77 Å²	77	48.3 Å²	48.3	29%	0.291	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-41.2	176.7	-68.8	-179.3	72.7	-165.8	1.8	112.6	L540 D543 M615 C616 R617 E622 L623	L540-R619 HydrophobicContact CD1-CB 3.93Å; L540-R619 HydrophobicContact CD2-CB 4Å; D543-R619 IonicContact OD2-NH1 3.04Å; D543-R619 PolarHBondContact OD2-NH1 3.4Å; M615-R619 WeakPolarHBondContact O-CG 3.13Å; M615-R619 PolarHBondContact O-N 2.98Å; C616-R619 PolarHBondContact O-N 3.05Å; R617-R619 VanDerWaalsContact C-N 3.31Å; R617-R619 PolarHBondContact O-N 3.3Å; R619-E622 PolarHBondContact O-N 3.13Å; R619-L623 WeakPolarHBondContact O-CB 3.32Å; R619-L623 VanDerWaalsContact O-CG 3.29Å; R619-L623 WeakPolarHBondContact O-CG 3.27Å; R619-L623 PolarHBondContact O-N 3.44Å
620	V	94.9	Very high	93.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-47.2	174.2	170.5	0	0	0	0	110.9	L459 H462 N463 L466 L540 I544 C616 R617 H618 E622 L623 L624	L459-V620 HydrophobicContact CD1-CG2 3.92Å; H462-V620 HydrophobicContact CB-CG1 3.62Å; N463-V620 HydrophobicContact CB-CG2 4.47Å; L466-V620 HydrophobicContact CB-CG1 4.26Å; L466-V620 HydrophobicContact CD2-CB 4.25Å; L466-V620 HydrophobicContact CD2-CG1 3.91Å; L466-V620 HydrophobicContact CD2-CG2 4.16Å; L540-V620 HydrophobicContact CD2-CG2 3.69Å; I544-V620 HydrophobicContact CD1-CG2 4.02Å; C616-V620 WeakPolarHBondContact O-CG2 3.31Å; C616-V620 PolarHBondContact O-N 2.97Å; R617-V620 PolarHBondContact O-N 2.84Å; R617-V620 VanDerWaalsContact O-N 3.16Å; H618-V620 PolarHBondContact O-N 3.36Å; V620-E622 VanDerWaalsContact C-N 3.3Å; V620-E622 PolarHBondContact O-N 2.98Å; V620-L623 PolarHBondContact O-N 3.23Å; V620-L624 PolarHBondContact O-N 2.99Å
621	M	92.3	Very high	93.9	Very high	76 Å²	76	49.4 Å²	49.4	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-68.6	-27.6	-178.8	-66.6	-57.9	-67.1	0	0	113	H462 R617 H618 P625	H462-M621 HydrophobicContact CB-SD 4.48Å; H462-M621 PolarHBondContact CD2-SD 3Å; R617-M621 HydrophobicContact CG-CG 4.36Å; R617-M621 WeakPolarHBondContact O-CG 3.36Å; R617-M621 PolarHBondContact O-N 3.03Å; H618-M621 PolarHBondContact O-N 3.32Å; M621-P625 WeakPolarHBondContact O-CD 3.16Å
622	E	93.9	Very high	93.9	Very high	89 Å²	89	53.2 Å²	53.2	42%	0.416	26%	0.256	S	S	.	.	H	α-helix	trans	-74.6	-37.6	173.8	-168.3	-166.6	151.4	0	0	112.2	H618 R619 V620 K626	H618-E622 IonicContact CE1-OE2 2.73Å; H618-E622 IonicContact ND1-OE2 3.61Å; H618-E622 WeakPolarHBondContact O-CB 3.46Å; H618-E622 PolarHBondContact O-N 3.42Å; R619-E622 PolarHBondContact O-N 3.13Å; V620-E622 VanDerWaalsContact C-N 3.3Å; V620-E622 PolarHBondContact O-N 2.98Å; E622-K626 IonicContact OE1-NZ 2.62Å; E622-K626 PolarHBondContact OE1-NZ 3.39Å
623	L	95.3	Very high	93.9	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-75.6	-33.3	-179.2	-73.4	167.2	0	0	0	112.8	L466 L533 E536 M537 L540 R619 V620 K626 V627	L466-L623 HydrophobicContact CD1-CB 4.09Å; L466-L623 HydrophobicContact CD2-CB 4.15Å; L466-L623 HydrophobicContact CD2-CD1 4.39Å; L533-L623 HydrophobicContact CD2-CD2 4.13Å; E536-L623 HydrophobicContact CB-CD2 4.22Å; E536-L623 WeakPolarHBondContact OE2-CD2 3.32Å; M537-L623 HydrophobicContact CG-CD1 4Å; L540-L623 HydrophobicContact CD2-CD1 3.95Å; R619-L623 WeakPolarHBondContact O-CB 3.32Å; R619-L623 VanDerWaalsContact O-CG 3.29Å; R619-L623 WeakPolarHBondContact O-CG 3.27Å; R619-L623 PolarHBondContact O-N 3.44Å; V620-L623 PolarHBondContact O-N 3.23Å; L623-K626 PolarHBondContact O-N 3.48Å; L623-V627 WeakPolarHBondContact O-CG2 3.23Å; L623-V627 PolarHBondContact O-N 2.76Å
624	L	94.4	Very high	93.9	Very high	29 Å²	29	52.9 Å²	52.9	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-51.2	-57.1	-177.3	-148	100.9	0	0	0	113.3	T465 L466 V620 K626 V627 E628	T465-L624 HydrophobicContact CG2-CD1 4.39Å; L466-L624 HydrophobicContact CB-CD1 3.86Å; L466-L624 HydrophobicContact CD1-CD1 4.24Å; V620-L624 PolarHBondContact O-N 2.99Å; L624-K626 VanDerWaalsContact C-N 3.31Å; L624-K626 PolarHBondContact O-N 3.1Å; L624-V627 PolarHBondContact O-N 3.44Å; L624-E628 WeakPolarHBondContact O-CG 3.45Å; L624-E628 PolarHBondContact O-N 2.91Å
625	P	95.1	Very high	93.9	Very high	69 Å²	69	53.5 Å²	53.5	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-67	-30.2	-179.4	27.9	-36.2	0	0	0	112.9	M621 E628 E629	M621-P625 WeakPolarHBondContact O-CD 3.16Å; P625-E628 PolarHBondContact O-N 3.4Å; P625-E629 WeakPolarHBondContact O-CB 3.5Å; P625-E629 PolarHBondContact O-N 3.41Å
626	K	94.9	Very high	93.9	Very high	73 Å²	73	54 Å²	54	32%	0.317	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.6	-63.6	179.8	-170.7	173.7	0	111	L533 E622 L623 L624 E629 V630	L533-K626 HydrophobicContact CD1-CB 4.49Å; L533-K626 HydrophobicContact CD2-CB 4.06Å; L533-K626 HydrophobicContact CD2-CD 4.24Å; E622-K626 IonicContact OE1-NZ 2.62Å; E622-K626 PolarHBondContact OE1-NZ 3.39Å; L623-K626 PolarHBondContact O-N 3.48Å; L624-K626 VanDerWaalsContact C-N 3.31Å; L624-K626 PolarHBondContact O-N 3.1Å; K626-E629 PolarHBondContact O-N 3.01Å; K626-V630 WeakPolarHBondContact O-CG2 3.39Å; K626-V630 PolarHBondContact O-N 3.04Å; K626-V630 VanDerWaalsContact O-N 3.12Å
627	V	94.8	Very high	93.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-43.2	176.3	176.4	0	0	0	0	110.4	L466 Q469 M473 M537 L623 L624 E629 V630 V631	L466-V627 HydrophobicContact CD1-CG2 4.11Å; Q469-V627 HydrophobicContact CB-CG1 3.76Å; M473-V627 HydrophobicContact CB-CG1 4.22Å; M473-V627 HydrophobicContact SD-CG1 4.05Å; M537-V627 HydrophobicContact CE-CG2 4.45Å; M537-V627 HydrophobicContact SD-CG2 3.77Å; L623-V627 WeakPolarHBondContact O-CG2 3.23Å; L623-V627 PolarHBondContact O-N 2.76Å; L624-V627 PolarHBondContact O-N 3.44Å; V627-E629 PolarHBondContact O-N 2.77Å; V627-V630 PolarHBondContact O-N 3.08Å; V627-V631 HydrophobicContact CG1-CG2 4.24Å; V627-V631 WeakPolarHBondContact O-CB 3.39Å; V627-V631 VanDerWaalsContact O-CG2 3.28Å; V627-V631 WeakPolarHBondContact O-CG2 3.45Å; V627-V631 PolarHBondContact O-N 2.96Å
628	E	93	Very high	93.9	Very high	91 Å²	91	54.1 Å²	54.1	43%	0.425	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-44.2	175.7	-72.8	175.1	176.2	0	0	112.4	Q469 L624 P625 V630 V631 Q632	Q469-E628 VanDerWaalsContact NE2-CG 3.25Å; Q469-E628 PolarHBondContact NE2-OE1 2.97Å; L624-E628 WeakPolarHBondContact O-CG 3.45Å; L624-E628 PolarHBondContact O-N 2.91Å; P625-E628 PolarHBondContact O-N 3.4Å; E628-V630 PolarHBondContact O-N 3.44Å; E628-V631 PolarHBondContact O-N 2.99Å; E628-Q632 WeakPolarHBondContact O-CB 3.43Å; E628-Q632 PolarHBondContact O-N 2.74Å
629	E	93.9	Very high	93.9	Very high	108 Å²	108	57 Å²	57	51%	0.505	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-43.4	176.7	-172.6	-173	159.7	0	0	111.8	P625 K626 V627 Q632 K633	P625-E629 WeakPolarHBondContact O-CB 3.5Å; P625-E629 PolarHBondContact O-N 3.41Å; K626-E629 PolarHBondContact O-N 3.01Å; V627-E629 PolarHBondContact O-N 2.77Å; E629-Q632 PolarHBondContact O-N 3.24Å; E629-K633 WeakPolarHBondContact O-CG 3.47Å; E629-K633 PolarHBondContact O-N 3.4Å; E629-K633 VanDerWaalsContact OE1-CE 3.23Å; E629-K633 WeakPolarHBondContact OE1-CE 3.15Å; E629-K633 IonicContact OE1-NZ 3.54Å; E629-K633 PolarHBondContact OE1-NZ 3.32Å
630	V	94.2	Very high	93.9	Very high	15 Å²	15	56.5 Å²	56.5	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-42.3	178.3	172.5	0	0	0	0	111.3	M473 V530 L533 K626 V627 E628 Q632 K633 L634	M473-V630 HydrophobicContact CG-CG1 4.01Å; M473-V630 HydrophobicContact SD-CB 4.13Å; M473-V630 HydrophobicContact SD-CG1 3.77Å; V530-V630 HydrophobicContact CG2-CG1 3.71Å; L533-V630 HydrophobicContact CD1-CB 4.27Å; L533-V630 HydrophobicContact CD1-CG2 3.66Å; K626-V630 WeakPolarHBondContact O-CG2 3.39Å; K626-V630 PolarHBondContact O-N 3.04Å; K626-V630 VanDerWaalsContact O-N 3.12Å; V627-V630 PolarHBondContact O-N 3.08Å; E628-V630 PolarHBondContact O-N 3.44Å; V630-Q632 VanDerWaalsContact C-N 3.3Å; V630-Q632 PolarHBondContact O-N 3.47Å; V630-K633 PolarHBondContact O-N 3.18Å; V630-L634 HydrophobicContact CG1-CD1 4.02Å; V630-L634 HydrophobicContact CG1-CG 4.23Å; V630-L634 VanDerWaalsContact O-CG 3.25Å; V630-L634 WeakPolarHBondContact O-CG 3.36Å; V630-L634 PolarHBondContact O-N 2.89Å
631	V	93	Very high	93.9	Very high	25 Å²	25	56.7 Å²	56.7	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-45.7	174.4	166.7	0	0	0	0	110.7	M473 M476 V627 E628 L634 A635	M473-V631 HydrophobicContact CB-CG2 3.64Å; M473-V631 HydrophobicContact CG-CG2 4.06Å; M476-V631 HydrophobicContact CE-CG1 4.35Å; M476-V631 WeakPolarHBondContact CE-O 3.27Å; M476-V631 HydrophobicContact SD-CG1 3.86Å; V627-V631 HydrophobicContact CG1-CG2 4.24Å; V627-V631 WeakPolarHBondContact O-CB 3.39Å; V627-V631 VanDerWaalsContact O-CG2 3.28Å; V627-V631 WeakPolarHBondContact O-CG2 3.45Å; V627-V631 PolarHBondContact O-N 2.96Å; E628-V631 PolarHBondContact O-N 2.99Å; V631-L634 PolarHBondContact O-N 2.93Å; V631-A635 PolarHBondContact O-N 2.97Å
632	Q	92.8	Very high	94	Very high	105 Å²	105	57.7 Å²	57.7	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-45.6	177.3	-177.5	58.8	34.3	0	0	111.8	E628 E629 V630 L634 A635 E636	E628-Q632 WeakPolarHBondContact O-CB 3.43Å; E628-Q632 PolarHBondContact O-N 2.74Å; E629-Q632 PolarHBondContact O-N 3.24Å; V630-Q632 VanDerWaalsContact C-N 3.3Å; V630-Q632 PolarHBondContact O-N 3.47Å; Q632-L634 VanDerWaalsContact C-N 3.34Å; Q632-L634 PolarHBondContact O-N 2.81Å; Q632-A635 WeakPolarHBondContact O-CB 3.25Å; Q632-A635 PolarHBondContact O-N 2.83Å; Q632-E636 PolarHBondContact NE2-OE1 2.81Å; Q632-E636 WeakPolarHBondContact O-CG 3.41Å; Q632-E636 PolarHBondContact O-N 3.01Å; Q632-E636 VanDerWaalsContact O-N 3.08Å
633	K	92.6	Very high	94.1	Very high	107 Å²	107	55.1 Å²	55.1	47%	0.465	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-39.6	175.9	-74.2	177.1	-174.8	169.1	0	112.7	E629 V630 A635 E636 S637	E629-K633 WeakPolarHBondContact O-CG 3.47Å; E629-K633 PolarHBondContact O-N 3.4Å; E629-K633 VanDerWaalsContact OE1-CE 3.23Å; E629-K633 WeakPolarHBondContact OE1-CE 3.15Å; E629-K633 IonicContact OE1-NZ 3.54Å; E629-K633 PolarHBondContact OE1-NZ 3.32Å; V630-K633 PolarHBondContact O-N 3.18Å; K633-A635 VanDerWaalsContact C-N 3.33Å; K633-A635 PolarHBondContact O-N 2.98Å; K633-E636 PolarHBondContact O-N 3.4Å; K633-S637 WeakPolarHBondContact O-CB 3.34Å; K633-S637 PolarHBondContact O-N 3.38Å; K633-S637 PolarHBondContact O-OG 3.05Å
634	L	93.7	Very high	94	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-40.5	176.6	-70.8	172.1	0	0	0	111.4	M473 M476 Y477 L480 A528 V530 V630 V631 Q632 E638	M473-L634 HydrophobicContact CG-CD1 4.02Å; M476-L634 HydrophobicContact CB-CB 4.39Å; M476-L634 HydrophobicContact CB-CD1 4.15Å; M476-L634 HydrophobicContact CE-CB 3.97Å; Y477-L634 HydrophobicContact CD2-CD2 3.93Å; L480-L634 HydrophobicContact CD2-CD2 3.64Å; A528-L634 HydrophobicContact CB-CD2 3.82Å; V530-L634 HydrophobicContact CG2-CD1 4.02Å; V530-L634 HydrophobicContact CG2-CD2 4.48Å; V630-L634 HydrophobicContact CG1-CD1 4.02Å; V630-L634 HydrophobicContact CG1-CG 4.23Å; V630-L634 VanDerWaalsContact O-CG 3.25Å; V630-L634 WeakPolarHBondContact O-CG 3.36Å; V630-L634 PolarHBondContact O-N 2.89Å; V631-L634 PolarHBondContact O-N 2.93Å; Q632-L634 VanDerWaalsContact C-N 3.34Å; Q632-L634 PolarHBondContact O-N 2.81Å; L634-E638 WeakPolarHBondContact O-CB 3.47Å; L634-E638 PolarHBondContact O-N 2.98Å
635	A	93.2	Very high	94	Very high	29 Å²	29	55.8 Å²	55.8	24%	0.24	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-43.5	175.3	0	0	0	0	0	112	M476 V631 Q632 K633 E638 Q639	M476-A635 HydrophobicContact CE-CB 3.78Å; V631-A635 PolarHBondContact O-N 2.97Å; Q632-A635 WeakPolarHBondContact O-CB 3.25Å; Q632-A635 PolarHBondContact O-N 2.83Å; K633-A635 VanDerWaalsContact C-N 3.33Å; K633-A635 PolarHBondContact O-N 2.98Å; A635-E638 PolarHBondContact O-N 3.48Å; A635-Q639 WeakPolarHBondContact O-CG 3.25Å; A635-Q639 PolarHBondContact O-N 2.72Å
636	E	93.8	Very high	94	Very high	99 Å²	99	59.1 Å²	59.1	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-47.7	177.7	-71.6	171.1	-166	0	0	111.7	Q632 K633 E638 Q639 V640	Q632-E636 PolarHBondContact NE2-OE1 2.81Å; Q632-E636 WeakPolarHBondContact O-CG 3.41Å; Q632-E636 PolarHBondContact O-N 3.01Å; Q632-E636 VanDerWaalsContact O-N 3.08Å; K633-E636 PolarHBondContact O-N 3.4Å; E636-E638 VanDerWaalsContact C-N 3.28Å; E636-E638 PolarHBondContact O-N 2.88Å; E636-Q639 PolarHBondContact O-N 2.92Å; E636-Q639 VanDerWaalsContact O-N 3.14Å; E636-V640 WeakPolarHBondContact O-CG2 3.42Å; E636-V640 PolarHBondContact O-N 3.39Å
637	S	94	Very high	94	Very high	26 Å²	26	60.7 Å²	60.7	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-57.4	-41	174.8	-74.3	0	0	0	0	112.2	C525 K633 V640 L641	C525-S637 PolarHBondContact O-OG 2.95Å; K633-S637 WeakPolarHBondContact O-CB 3.34Å; K633-S637 PolarHBondContact O-N 3.38Å; K633-S637 PolarHBondContact O-OG 3.05Å; S637-V640 PolarHBondContact O-N 3.08Å; S637-L641 WeakPolarHBondContact O-CB 3.42Å; S637-L641 PolarHBondContact O-N 3.46Å
638	E	93.2	Very high	94	Very high	23 Å²	23	60.7 Å²	60.7	11%	0.107	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-44.3	175.8	-177	172.6	-163	0	0	111.8	R479 L480 K483 L634 A635 E636 L641 M642	R479-E638 IonicContact CZ-OE1 3.31Å; R479-E638 IonicContact CZ-OE2 3.15Å; R479-E638 IonicContact NE-OE1 3.33Å; R479-E638 PolarHBondContact NE-OE1 2.96Å; R479-E638 IonicContact NE-OE2 2.64Å; R479-E638 PolarHBondContact NE-OE2 3.16Å; R479-E638 IonicContact NH2-OE1 3.43Å; R479-E638 IonicContact NH2-OE2 2.65Å; R479-E638 PolarHBondContact NH2-OE2 3.06Å; L480-E638 HydrophobicContact CD1-CB 4.09Å; K483-E638 HydrophobicContact CD-CG 4.21Å; K483-E638 WeakPolarHBondContact CE-OE1 3.36Å; K483-E638 IonicContact NZ-OE1 2.71Å; K483-E638 PolarHBondContact NZ-OE1 3.23Å; L634-E638 WeakPolarHBondContact O-CB 3.47Å; L634-E638 PolarHBondContact O-N 2.98Å; A635-E638 PolarHBondContact O-N 3.48Å; E636-E638 VanDerWaalsContact C-N 3.28Å; E636-E638 PolarHBondContact O-N 2.88Å; E638-L641 PolarHBondContact O-N 2.67Å; E638-M642 VanDerWaalsContact O-CG 3.23Å; E638-M642 WeakPolarHBondContact O-CG 3.43Å; E638-M642 PolarHBondContact O-N 2.98Å
639	Q	94.6	Very high	94	Very high	149 Å²	149	61 Å²	61	70%	0.696	31%	0.308	S	S	*	.	H	α-helix	trans	-63.4	-43.9	176.9	-73.6	-173.7	1.9	0	0	112.2	A635 E636 M642 G643	A635-Q639 WeakPolarHBondContact O-CG 3.25Å; A635-Q639 PolarHBondContact O-N 2.72Å; E636-Q639 PolarHBondContact O-N 2.92Å; E636-Q639 VanDerWaalsContact O-N 3.14Å; Q639-M642 PolarHBondContact O-N 3.18Å; Q639-G643 PolarHBondContact O-N 2.92Å
640	V	94.6	Very high	93.9	Very high	67 Å²	67	62.1 Å²	62.1	41%	0.406	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-50.6	177	171.2	0	0	0	0	110.1	T521 E636 S637 M642 G643 L644	T521-V640 HydrophobicContact CG2-CG1 3.96Å; E636-V640 WeakPolarHBondContact O-CG2 3.42Å; E636-V640 PolarHBondContact O-N 3.39Å; S637-V640 PolarHBondContact O-N 3.08Å; V640-M642 VanDerWaalsContact C-N 3.33Å; V640-M642 PolarHBondContact O-N 3.26Å; V640-G643 PolarHBondContact O-N 3.21Å; V640-G643 VanDerWaalsContact O-N 3.09Å; V640-L644 HydrophobicContact CG1-CD1 4.32Å; V640-L644 HydrophobicContact CG1-CG 4.31Å; V640-L644 WeakPolarHBondContact O-CG 3.43Å; V640-L644 PolarHBondContact O-N 3.24Å
641	L	94.8	Very high	93.7	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-42.8	-178.4	-172.9	67.5	0	0	0	112.4	L480 K483 L484 F487 A522 S637 E638 G643 L644 Q645	L480-L641 HydrophobicContact CD1-CD2 4.07Å; K483-L641 HydrophobicContact CB-CD2 3.7Å; L484-L641 HydrophobicContact CB-CD2 4.15Å; L484-L641 HydrophobicContact CD1-CD1 3.97Å; L484-L641 HydrophobicContact CD1-CD2 4.41Å; F487-L641 HydrophobicContact CB-CD1 3.75Å; F487-L641 HydrophobicContact CB-CG 4.28Å; F487-L641 HydrophobicContact CD1-CD1 3.72Å; F487-L641 HydrophobicContact CD2-CD1 4Å; F487-L641 HydrophobicContact CE1-CD1 4.35Å; F487-L641 HydrophobicContact CG-CD1 3.53Å; F487-L641 HydrophobicContact CG-CG 4.39Å; A522-L641 HydrophobicContact CB-CD1 4.02Å; S637-L641 WeakPolarHBondContact O-CB 3.42Å; S637-L641 PolarHBondContact O-N 3.46Å; E638-L641 PolarHBondContact O-N 2.67Å; L641-G643 VanDerWaalsContact C-N 3.34Å; L641-L644 PolarHBondContact O-N 2.73Å; L641-Q645 PolarHBondContact O-N 3.33Å; L641-Q645 VanDerWaalsContact O-N 3.08Å
642	M	94.9	Very high	93.4	Very high	96 Å²	96	64.8 Å²	64.8	47%	0.473	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-41.2	175.2	-68.3	-61	-57.6	0	0	111.7	K483 E638 Q639 V640 Q645 E646	K483-M642 HydrophobicContact CD-SD 4.02Å; E638-M642 VanDerWaalsContact O-CG 3.23Å; E638-M642 WeakPolarHBondContact O-CG 3.43Å; E638-M642 PolarHBondContact O-N 2.98Å; Q639-M642 PolarHBondContact O-N 3.18Å; V640-M642 VanDerWaalsContact C-N 3.33Å; V640-M642 PolarHBondContact O-N 3.26Å; M642-Q645 PolarHBondContact O-N 2.98Å; M642-E646 PolarHBondContact O-N 3.01Å; M642-E646 VanDerWaalsContact O-N 3.09Å
643	G	95.2	Very high	93.3	Very high	35 Å²	35	67.7 Å²	67.7	36%	0.361	33%	0.329	S	S	.	.	H	α-helix	trans	-65.5	-38.1	176.2	0	0	0	0	0	113.4	Q639 V640 L641 E646 K647	Q639-G643 PolarHBondContact O-N 2.92Å; V640-G643 PolarHBondContact O-N 3.21Å; V640-G643 VanDerWaalsContact O-N 3.09Å; L641-G643 VanDerWaalsContact C-N 3.34Å; G643-E646 PolarHBondContact O-N 3.33Å; G643-K647 WeakPolarHBondContact O-CB 3.4Å; G643-K647 PolarHBondContact O-N 3.49Å
644	L	94.4	Very high	93	Very high	25 Å²	25	65.5 Å²	65.5	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-43.7	174.2	-65.4	-176	0	0	0	111.3	F487 M518 T521 V640 L641 K647 R648	F487-L644 HydrophobicContact CE2-CB 3.75Å; F487-L644 HydrophobicContact CZ-CB 3.88Å; F487-L644 HydrophobicContact CZ-CD1 4.35Å; M518-L644 HydrophobicContact CB-CD1 4.49Å; M518-L644 HydrophobicContact CG-CD2 4.16Å; T521-L644 HydrophobicContact CG2-CD1 3.89Å; V640-L644 HydrophobicContact CG1-CD1 4.32Å; V640-L644 HydrophobicContact CG1-CG 4.31Å; V640-L644 WeakPolarHBondContact O-CG 3.43Å; V640-L644 PolarHBondContact O-N 3.24Å; L641-L644 PolarHBondContact O-N 2.73Å; L644-K647 PolarHBondContact O-N 3.01Å; L644-R648 WeakPolarHBondContact O-CB 3.34Å; L644-R648 PolarHBondContact O-N 2.97Å
645	Q	94.4	Very high	92.5	Very high	24 Å²	24	67 Å²	67	11%	0.112	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-48.5	177.7	-179.2	69.2	18	0	0	111.4	F487 L641 M642 R648 Q649	F487-Q645 HydrophobicContact CD2-CB 3.96Å; F487-Q645 HydrophobicContact CE2-CB 4.22Å; L641-Q645 PolarHBondContact O-N 3.33Å; L641-Q645 VanDerWaalsContact O-N 3.08Å; M642-Q645 PolarHBondContact O-N 2.98Å; Q645-R648 VanDerWaalsContact CD-NH2 3.26Å; Q645-R648 PolarHBondContact O-N 2.72Å; Q645-Q649 WeakPolarHBondContact O-CG 3.46Å; Q645-Q649 PolarHBondContact O-N 3.35Å; Q645-Q649 VanDerWaalsContact O-N 3.08Å
646	E	95	Very high	92	Very high	139 Å²	139	69.9 Å²	69.9	65%	0.65	34%	0.341	S	S	*	.	H	α-helix	trans	-61.8	-46.4	179	-173.9	-175.9	175.1	0	0	111.3	M642 G643 R648 Q649 K650	M642-E646 PolarHBondContact O-N 3.01Å; M642-E646 VanDerWaalsContact O-N 3.09Å; G643-E646 PolarHBondContact O-N 3.33Å; E646-R648 VanDerWaalsContact C-N 3.35Å; E646-R648 PolarHBondContact O-N 3.06Å; E646-Q649 PolarHBondContact O-N 3.22Å; E646-K650 WeakPolarHBondContact O-CB 3.49Å; E646-K650 PolarHBondContact O-N 2.99Å
647	K	93.9	Very high	91.6	Very high	106 Å²	106	71.5 Å²	71.5	46%	0.461	35%	0.347	S	S	.	.	H	α-helix	trans	-59	-46.7	178	-176.7	178.2	172.4	-170.6	0	111.2	M518 G643 L644 Q649 K650 E651	M518-K647 HydrophobicContact CE-CB 4.07Å; M518-K647 HydrophobicContact CE-CD 3.73Å; M518-K647 HydrophobicContact CE-CG 3.79Å; G643-K647 WeakPolarHBondContact O-CB 3.4Å; G643-K647 PolarHBondContact O-N 3.49Å; L644-K647 PolarHBondContact O-N 3.01Å; K647-Q649 PolarHBondContact O-N 2.85Å; K647-K650 PolarHBondContact O-N 2.78Å; K647-E651 WeakPolarHBondContact CE-OE1 3.43Å; K647-E651 WeakPolarHBondContact O-CG 3.28Å; K647-E651 PolarHBondContact O-N 3.44Å
648	R	94.3	Very high	91	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60	-48	179.7	-167.8	-175.7	77.7	-123.1	-10.2	112	F487 S490 L491 D494 W515 M518 L644 Q645 E646 K650 E651 L652	F487-R648 VanDerWaalsContact CD2-NH1 3.33Å; S490-R648 VanDerWaalsContact CB-NH2 3.28Å; S490-R648 PolarHBondContact OG-NH2 2.92Å; L491-R648 VanDerWaalsContact CD1-CD 3.4Å; D494-R648 IonicContact OD2-CZ 2.84Å; D494-R648 IonicContact OD2-NE 3.52Å; D494-R648 PolarHBondContact OD2-NE 2.83Å; D494-R648 IonicContact OD2-NH2 3.48Å; W515-R648 HydrophobicContact CZ2-CG 4.46Å; M518-R648 HydrophobicContact CE-CB 4.3Å; M518-R648 HydrophobicContact SD-CB 3.98Å; M518-R648 HydrophobicContact SD-CG 4.25Å; L644-R648 WeakPolarHBondContact O-CB 3.34Å; L644-R648 PolarHBondContact O-N 2.97Å; Q645-R648 VanDerWaalsContact CD-NH2 3.26Å; Q645-R648 PolarHBondContact O-N 2.72Å; E646-R648 VanDerWaalsContact C-N 3.35Å; E646-R648 PolarHBondContact O-N 3.06Å; R648-K650 VanDerWaalsContact C-N 3.32Å; R648-K650 PolarHBondContact O-N 3.41Å; R648-E651 PolarHBondContact O-N 2.94Å; R648-L652 PolarHBondContact O-N 3.35Å; R648-L652 VanDerWaalsContact O-N 3.16Å
649	Q	93.5	Very high	90.3	Very high	96 Å²	96	74.5 Å²	74.5	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-62.7	-39.5	178.7	-72.7	-175.4	-27	0	0	111.9	Q645 E646 K647 L652 W653	Q645-Q649 WeakPolarHBondContact O-CG 3.46Å; Q645-Q649 PolarHBondContact O-N 3.35Å; Q645-Q649 VanDerWaalsContact O-N 3.08Å; E646-Q649 PolarHBondContact O-N 3.22Å; K647-Q649 PolarHBondContact O-N 2.85Å; Q649-L652 PolarHBondContact O-N 3.17Å; Q649-W653 PolarHBondContact O-N 2.98Å
650	K	92.7	Very high	89.6	Confident	132 Å²	132	70.8 Å²	70.8	57%	0.574	36%	0.355	S	S	*	.	H	α-helix	trans	-64.2	-42.1	176.8	-169.8	175.1	-178	175.6	0	112.4	E646 K647 R648 L652 W653 D654	E646-K650 WeakPolarHBondContact O-CB 3.49Å; E646-K650 PolarHBondContact O-N 2.99Å; K647-K650 PolarHBondContact O-N 2.78Å; R648-K650 VanDerWaalsContact C-N 3.32Å; R648-K650 PolarHBondContact O-N 3.41Å; K650-L652 VanDerWaalsContact C-N 3.33Å; K650-L652 PolarHBondContact O-N 2.87Å; K650-W653 PolarHBondContact O-N 2.81Å; K650-D654 PolarHBondContact O-N 3.35Å
651	E	88.9	Confident	88.7	Confident	40 Å²	40	71.3 Å²	71.3	19%	0.187	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-40.2	176.6	-73.6	172.1	175.1	0	0	112.2	L511 W515 K647 R648 D654 L655	L511-E651 HydrophobicContact CD1-CB 3.92Å; L511-E651 HydrophobicContact CD1-CG 4.3Å; L511-E651 WeakPolarHBondContact CD1-OE2 3.16Å; W515-E651 PolarHBondContact NE1-OE2 3.26Å; K647-E651 WeakPolarHBondContact CE-OE1 3.43Å; K647-E651 WeakPolarHBondContact O-CG 3.28Å; K647-E651 PolarHBondContact O-N 3.44Å; R648-E651 PolarHBondContact O-N 2.94Å; E651-D654 PolarHBondContact O-N 3.28Å; E651-L655 PolarHBondContact O-N 3.19Å
652	L	87.8	Confident	87.3	Confident	57 Å²	57	78.3 Å²	78.3	30%	0.298	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-44.7	173.3	-78	168.9	0	0	0	112.3	W515 R648 Q649 K650 D654 L655 L656	W515-L652 HydrophobicContact CH2-CD2 3.61Å; W515-L652 HydrophobicContact CH2-CG 4.25Å; W515-L652 HydrophobicContact CZ2-CD2 3.78Å; W515-L652 HydrophobicContact CZ2-CG 3.95Å; R648-L652 PolarHBondContact O-N 3.35Å; R648-L652 VanDerWaalsContact O-N 3.16Å; Q649-L652 PolarHBondContact O-N 3.17Å; K650-L652 VanDerWaalsContact C-N 3.33Å; K650-L652 PolarHBondContact O-N 2.87Å; L652-D654 VanDerWaalsContact C-N 3.32Å; L652-D654 PolarHBondContact O-N 3.18Å; L652-L655 WeakPolarHBondContact O-CB 3.46Å; L652-L655 PolarHBondContact O-N 3.08Å; L652-L656 PolarHBondContact O-N 3.45Å; L652-L656 VanDerWaalsContact O-N 3.13Å
653	W	89.6	Confident	85.6	Confident	166 Å²	166	79.9 Å²	79.9	63%	0.629	41%	0.406	S	S	*	.	H	α-helix	trans	-64	-37.7	176.5	-80.1	112.5	0	0	0	112.6	Q649 K650 L656 K657	Q649-W653 PolarHBondContact O-N 2.98Å; K650-W653 PolarHBondContact O-N 2.81Å; W653-L656 HydrophobicContact CE3-CD2 3.83Å; W653-L656 HydrophobicContact CZ3-CD2 3.63Å; W653-L656 WeakPolarHBondContact O-CB 3.34Å; W653-L656 PolarHBondContact O-N 3.4Å; W653-K657 WeakPolarHBondContact O-CG 3.44Å; W653-K657 PolarHBondContact O-N 3.37Å; W653-K657 VanDerWaalsContact O-N 3.07Å
654	D	86	Confident	83.4	Confident	61 Å²	61	88.9 Å²	88.9	33%	0.326	43%	0.429	S	S	.	.	H	α-helix	trans	-69.4	-35.1	177.6	-72.8	-23.1	0	0	0	111.9	K650 E651 L652 L656 K657 I658	K650-D654 PolarHBondContact O-N 3.35Å; E651-D654 PolarHBondContact O-N 3.28Å; L652-D654 VanDerWaalsContact C-N 3.32Å; L652-D654 PolarHBondContact O-N 3.18Å; D654-L656 VanDerWaalsContact C-N 3.34Å; D654-L656 PolarHBondContact O-N 3.24Å; D654-K657 PolarHBondContact O-N 2.82Å; D654-K657 IonicContact OD1-NZ 2.91Å; D654-K657 PolarHBondContact OD1-NZ 3.38Å; D654-I658 WeakPolarHBondContact O-CG1 3.3Å; D654-I658 PolarHBondContact O-N 3.31Å; D654-I658 VanDerWaalsContact O-N 3.09Å
655	L	83.3	Confident	80.7	Confident	34 Å²	34	92.5 Å²	92.5	18%	0.178	46%	0.456	C	S	.	.	H	α-helix	trans	-59.2	-43.6	168.6	-76.8	178	0	0	0	112.3	I506 L511 E651 L652 K657 I658 A659	I506-L655 HydrophobicContact CG2-CD2 4.05Å; L511-L655 HydrophobicContact CD2-CD1 3.23Å; L511-L655 HydrophobicContact CD2-CD2 4.38Å; L511-L655 HydrophobicContact CD2-CG 4.05Å; E651-L655 PolarHBondContact O-N 3.19Å; L652-L655 WeakPolarHBondContact O-CB 3.46Å; L652-L655 PolarHBondContact O-N 3.08Å; L655-K657 VanDerWaalsContact C-N 3.33Å; L655-K657 PolarHBondContact O-N 2.91Å; L655-I658 WeakPolarHBondContact O-CB 3.4Å; L655-I658 PolarHBondContact O-N 3.24Å; L655-A659 PolarHBondContact O-N 3.02Å
656	L	83.6	Confident	78.2	Confident	89 Å²	89	97.1 Å²	97.1	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-62	-41.8	178.4	-173.3	67.4	0	0	0	111.3	L652 W653 D654 I658 A659 C660	L652-L656 PolarHBondContact O-N 3.45Å; L652-L656 VanDerWaalsContact O-N 3.13Å; W653-L656 HydrophobicContact CE3-CD2 3.83Å; W653-L656 HydrophobicContact CZ3-CD2 3.63Å; W653-L656 WeakPolarHBondContact O-CB 3.34Å; W653-L656 PolarHBondContact O-N 3.4Å; D654-L656 VanDerWaalsContact C-N 3.34Å; D654-L656 PolarHBondContact O-N 3.24Å; L656-I658 VanDerWaalsContact C-N 3.31Å; L656-I658 PolarHBondContact O-N 2.85Å; L656-A659 WeakPolarHBondContact O-CB 3.48Å; L656-A659 PolarHBondContact O-N 2.85Å; L656-C660 PolarHBondContact O-N 3.26Å; L656-C660 PolarHBondContact O-SG 3.04Å
657	K	85.6	Confident	75.4	Confident	133 Å²	133	97.6 Å²	97.6	58%	0.578	50%	0.501	S	S	*	.	H	α-helix	trans	-58.9	-42.9	174.5	-69.3	174.3	-166.8	155.4	0	111.8	W653 D654 L655 C660 S661	W653-K657 WeakPolarHBondContact O-CG 3.44Å; W653-K657 PolarHBondContact O-N 3.37Å; W653-K657 VanDerWaalsContact O-N 3.07Å; D654-K657 PolarHBondContact O-N 2.82Å; D654-K657 IonicContact OD1-NZ 2.91Å; D654-K657 PolarHBondContact OD1-NZ 3.38Å; L655-K657 VanDerWaalsContact C-N 3.33Å; L655-K657 PolarHBondContact O-N 2.91Å; K657-C660 PolarHBondContact O-N 3.08Å; K657-S661 PolarHBondContact O-N 2.89Å; K657-S661 VanDerWaalsContact O-N 3.08Å
658	I	80.8	Confident	72.8	Confident	81 Å²	81	98.3 Å²	98.3	42%	0.415	52%	0.519	S	S	.	.	H	α-helix	trans	-62.1	-45	176	-65.2	165.3	0	0	0	110.1	D654 L655 L656 C660 S661 K662	D654-I658 WeakPolarHBondContact O-CG1 3.3Å; D654-I658 PolarHBondContact O-N 3.31Å; D654-I658 VanDerWaalsContact O-N 3.09Å; L655-I658 WeakPolarHBondContact O-CB 3.4Å; L655-I658 PolarHBondContact O-N 3.24Å; L656-I658 VanDerWaalsContact C-N 3.31Å; L656-I658 PolarHBondContact O-N 2.85Å; I658-C660 PolarHBondContact O-N 3.05Å; I658-S661 PolarHBondContact O-N 3.2Å; I658-S661 PolarHBondContact O-OG 3.37Å; I658-K662 PolarHBondContact O-N 3.17Å
659	A	77.6	Confident	69.8	Low	30 Å²	30	102 Å²	102	25%	0.248	56%	0.558	C	S	.	*	H	α-helix	trans	-56.3	-49.7	176.7	0	0	0	0	0	111.8	I506 L655 L656 S661 K662 V663	I506-A659 HydrophobicContact CD1-CB 3.49Å; I506-A659 VanDerWaalsContact CD1-CB 3.49Å; L655-A659 PolarHBondContact O-N 3.02Å; L656-A659 WeakPolarHBondContact O-CB 3.48Å; L656-A659 PolarHBondContact O-N 2.85Å; A659-S661 VanDerWaalsContact C-N 3.25Å; A659-S661 PolarHBondContact O-N 2.83Å; A659-K662 PolarHBondContact O-N 3.47Å; A659-V663 PolarHBondContact O-N 3.02Å
660	C	79.9	Confident	66.9	Low	72 Å²	72	103 Å²	103	49%	0.486	57%	0.574	S	S	.	*	H	α-helix	trans	-62.7	-30.5	179.4	-66.7	0	0	0	0	113.1	L656 K657 I658	L656-C660 PolarHBondContact O-N 3.26Å; L656-C660 PolarHBondContact O-SG 3.04Å; K657-C660 PolarHBondContact O-N 3.08Å; I658-C660 PolarHBondContact O-N 3.05Å
661	S	76.8	Confident	64.8	Low	77 Å²	77	101.8 Å²	101.8	54%	0.538	58%	0.581	S	S	.	*	H	α-helix	trans	-72.5	-34	176.9	74.9	0	0	0	0	113.1	K657 I658 A659	K657-S661 PolarHBondContact O-N 2.89Å; K657-S661 VanDerWaalsContact O-N 3.08Å; I658-S661 PolarHBondContact O-N 3.2Å; I658-S661 PolarHBondContact O-OG 3.37Å; A659-S661 VanDerWaalsContact C-N 3.25Å; A659-S661 PolarHBondContact O-N 2.83Å
662	K	65.9	Low	62.1	Low	151 Å²	151	107.8 Å²	107.8	66%	0.657	61%	0.614	S	S	*	*	H	α-helix	trans	-74	-30	-180	-76.3	-173.3	175.9	-179.1	0	113.8	I658 A659 R664	I658-K662 PolarHBondContact O-N 3.17Å; A659-K662 PolarHBondContact O-N 3.47Å; K662-R664 PolarHBondContact O-N 3.38Å
663	V	58.7	Low	59.4	Low	130 Å²	130	108.3 Å²	108.3	79%	0.788	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-13.8	178.9	177.4	0	0	0	0	112.6	A659	A659-V663 PolarHBondContact O-N 3.02Å
664	R	49.1	Very low	56.7	Low	224 Å²	224	108.5 Å²	108.5	85%	0.845	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	15.1	-175.2	-75.5	-175.5	177.3	179.6	0.8	116	K662	K662-R664 PolarHBondContact O-N 3.38Å
665	S	37.4	Very low	54	Low	100 Å²	100	116.6 Å²	116.6	70%	0.699	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-99.8	129	178.4	-145.6	0	0	0	0	112.3
666	P	42.5	Very low	51.6	Low	122 Å²	122	121 Å²	121	79%	0.792	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-85.9	137.6	-171.8	32.3	-31.8	0	0	0	113.6
667	V	36.6	Very low	49.9	Very low	149 Å²	149	122.5 Å²	122.5	90%	0.903	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-91.3	120	169.4	176.9	0	0	0	0	109.2
668	S	37.8	Very low	47.2	Very low	121 Å²	121	121.3 Å²	121.3	85%	0.846	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-99.2	119.7	177.9	59.8	0	0	0	0	111.9
669	G	31.2	Very low	44.8	Very low	78 Å²	78	122.5 Å²	122.5	80%	0.804	74%	0.739	S	S	*	*			trans	179.6	96.6	169.6	0	0	0	0	0	112.6
670	S	33.5	Very low	42.8	Very low	115 Å²	115	128 Å²	128	80%	0.804	77%	0.769	S	S	*	*			trans	-121	163	163.4	-116.3	0	0	0	0	107.2
671	P	48.8	Very low	40.6	Very low	108 Å²	108	129.8 Å²	129.8	70%	0.701	78%	0.78	S	S	*	*			cis	-152.4	165.2	43.9	37.3	-13.5	0	0	0	119.4
672	D	32.5	Very low	38.9	Very low	165 Å²	165	131.8 Å²	131.8	88%	0.882	79%	0.791	S	S	*	*			trans	62.6	132.7	137.8	-67.7	-29.6	0	0	0	126.3
673	G	30.3	Very low	37.8	Very low	69 Å²	69	133.2 Å²	133.2	71%	0.711	81%	0.805	S	S	*	*			trans	166.9	48.4	159.9	0	0	0	0	0	121.6
674	L	32.1	Very low	36.6	Very low	169 Å²	169	135 Å²	135	89%	0.885	81%	0.809	S	S	*	*			trans	49.5	121.7	148.5	-76	137.6	0	0	0	123.5
675	R	30.8	Very low	35.9	Very low	232 Å²	232	130.3 Å²	130.3	88%	0.875	81%	0.806	S	S	*	*				-175.4	109.2	114.8	-101.9	177.7	-174.5	-172.1	2.3	115.2
676	T	32.5	Very low	36	Very low	126 Å²	126	131.2 Å²	131.2	77%	0.773	81%	0.809	S	S	*	*			trans	56.8	154.7	133.1	48.1	0	0	0	0	124
677	P	48.3	Very low	35.6	Very low	121 Å²	121	136.6 Å²	136.6	79%	0.786	81%	0.814	S	S	*	*			trans	-120.8	162.3	-137.6	41.7	-29.5	0	0	0	115.4
678	S	27.7	Very low	35.7	Very low	108 Å²	108	136 Å²	136	76%	0.755	81%	0.805	S	S	*	*			trans	-162.3	132.8	151.3	60.3	0	0	0	0	112.9
679	S	30.9	Very low	35.7	Very low	106 Å²	106	134.2 Å²	134.2	74%	0.741	79%	0.793	S	S	*	*			trans	56.6	108.9	150.4	61.8	0	0	0	0	119.4	P681	S679-P681 WeakPolarHBondContact O-CD 3.26Å
680	V	36.4	Very low	36.2	Very low	146 Å²	146	137.2 Å²	137.2	89%	0.885	79%	0.79	S	S	*	*			trans	-68.3	131.6	159.5	177.3	0	0	0	0	110.2
681	P	32.4	Very low	36.6	Very low	108 Å²	108	138.7 Å²	138.7	70%	0.701	78%	0.784	S	S	*	*			trans	-106.7	163.1	152.7	11.6	10	0	0	0	111.9	S679	S679-P681 WeakPolarHBondContact O-CD 3.26Å
682	P	40.8	Very low	36.3	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	79%	0.785	S	S	*	*			trans	-86.2	163.3	-161.7	34.7	-35.1	0	0	0	114.8
683	L	43.7	Very low	36.9	Very low	181 Å²	181	139.6 Å²	139.6	95%	0.948	77%	0.773	S	S	*	*			trans	-48.4	131.3	174.7	-80.5	99.1	0	0	0	113.5
684	L	32.5	Very low	37.7	Very low	167 Å²	167	141.6 Å²	141.6	87%	0.874	77%	0.768	S	S	*	*			trans	-112.6	126.7	160.1	-90.2	160.3	0	0	0	109.8
685	T	36	Very low	38.6	Very low	127 Å²	127	140 Å²	140	78%	0.779	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-57.6	164.1	171.4	34.6	0	0	0	0	114.3
686	P	38.8	Very low	39.6	Very low	119 Å²	119	132 Å²	132	77%	0.773	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-75.3	146.1	-161.4	30.7	-34.4	0	0	0	113.6
687	R	33.8	Very low	40.4	Very low	234 Å²	234	131 Å²	131	88%	0.883	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-81.4	129.7	179.9	-119	178	177	178.5	-2.1	111.5	S689	R687-S689 PolarHBondContact O-N 2.97Å
688	N	39	Very low	40.8	Very low	137 Å²	137	128.7 Å²	128.7	73%	0.733	71%	0.708	S	S	*	*	S	Bend	trans	-61.8	35.6	-179	-74.1	-18.4	0	0	0	117.5
689	S	38.6	Very low	42.4	Very low	84 Å²	84	129.8 Å²	129.8	59%	0.587	70%	0.702	S	S	*	*			trans	-99.4	-0.7	-173.5	42.7	0	0	0	0	115.8	R687	R687-S689 PolarHBondContact O-N 2.97Å
690	L	40.4	Very low	43.8	Very low	141 Å²	141	130.6 Å²	130.6	74%	0.738	69%	0.694	S	S	*	*	S	Bend	trans	-106.3	-16.6	-178.1	-80.5	155.2	0	0	0	114.8
691	Q	42	Very low	44.5	Very low	145 Å²	145	127.2 Å²	127.2	68%	0.678	68%	0.677	S	S	*	*	H	α-helix	trans	-82.9	-28.6	179.9	-100.4	170.6	-28.9	0	0	114	E695	Q691-E695 PolarHBondContact O-N 2.85Å
692	Q	43.8	Very low	45.8	Very low	153 Å²	153	130 Å²	130	72%	0.715	67%	0.673	S	S	*	*	H	α-helix	trans	-75	-23.9	-177.5	-84.5	-178.6	-29	0	0	114.3	S696	Q692-S696 PolarHBondContact O-N 3.38Å
693	Q	44.7	Very low	47	Very low	139 Å²	139	128.2 Å²	128.2	65%	0.65	66%	0.66	S	S	*	*	H	α-helix	trans	-81.7	-33.8	177.9	-80.6	-177.5	-31.4	0	0	112.6	L697	Q693-L697 PolarHBondContact O-N 2.89Å
694	D	46.5	Very low	47.9	Very low	112 Å²	112	126.5 Å²	126.5	60%	0.599	65%	0.645	S	S	*	*	H	α-helix	trans	-70.8	-38.7	175.1	-89.4	-19.2	0	0	0	112.1	L697 V698	D694-L697 PolarHBondContact O-N 3.47Å; D694-V698 WeakPolarHBondContact O-CB 3.41Å; D694-V698 WeakPolarHBondContact O-CG2 3.48Å; D694-V698 PolarHBondContact O-N 2.89Å
695	E	50.2	Low	49	Very low	134 Å²	134	123.8 Å²	123.8	63%	0.626	63%	0.628	S	S	*	*	H	α-helix	trans	-65.4	-39.3	176.1	-78.2	-175.8	161.9	0	0	112.2	Q691 L697 V698 E699	Q691-E695 PolarHBondContact O-N 2.85Å; E695-L697 PolarHBondContact O-N 3.29Å; E695-V698 PolarHBondContact O-N 2.99Å; E695-E699 WeakPolarHBondContact O-CB 3.13Å; E695-E699 PolarHBondContact O-N 2.96Å
696	S	52.1	Low	50.5	Low	65 Å²	65	121.3 Å²	121.3	46%	0.455	62%	0.616	S	S	.	*	H	α-helix	trans	-61.9	-42.4	176.4	-177.2	0	0	0	0	112.7	Q692 E699 E700	Q692-S696 PolarHBondContact O-N 3.38Å; S696-E699 PolarHBondContact O-N 3.39Å; S696-E700 PolarHBondContact O-N 3Å
697	L	49.6	Very low	51.7	Low	105 Å²	105	124.4 Å²	124.4	55%	0.55	61%	0.612	S	S	.	*	H	α-helix	trans	-72.3	-34.1	179.3	-79.8	161.9	0	0	0	112.1	Q693 D694 E695 S701	Q693-L697 PolarHBondContact O-N 2.89Å; D694-L697 PolarHBondContact O-N 3.47Å; E695-L697 PolarHBondContact O-N 3.29Å; L697-S701 WeakPolarHBondContact O-CB 3.46Å; L697-S701 PolarHBondContact O-N 3.12Å
698	V	56.8	Low	52.9	Low	72 Å²	72	118 Å²	118	44%	0.436	60%	0.595	S	S	.	*	H	α-helix	trans	-69.8	-36.3	174.4	172.4	0	0	0	0	111.1	D694 E695 S701 R702	D694-V698 WeakPolarHBondContact O-CB 3.41Å; D694-V698 WeakPolarHBondContact O-CG2 3.48Å; D694-V698 PolarHBondContact O-N 2.89Å; E695-V698 PolarHBondContact O-N 2.99Å; V698-S701 PolarHBondContact O-N 3.48Å; V698-R702 WeakPolarHBondContact O-CG 3.49Å; V698-R702 PolarHBondContact O-N 3.26Å
699	E	62.1	Low	54	Low	132 Å²	132	117.4 Å²	117.4	62%	0.617	59%	0.588	S	S	*	*	H	α-helix	trans	-70.5	-39.2	176.1	-157.3	116.1	-142.7	0	0	111.9	E695 S696 R702 T703	E695-E699 WeakPolarHBondContact O-CB 3.13Å; E695-E699 PolarHBondContact O-N 2.96Å; S696-E699 PolarHBondContact O-N 3.39Å; E699-R702 PolarHBondContact O-N 2.95Å; E699-T703 WeakPolarHBondContact O-CG2 3.43Å; E699-T703 PolarHBondContact O-N 2.89Å; E699-T703 PolarHBondContact O-OG1 3.18Å
700	E	61	Low	55.5	Low	122 Å²	122	116.4 Å²	116.4	57%	0.57	58%	0.581	S	S	*	*	H	α-helix	trans	-64.3	-40.2	170.6	-81.5	-174.5	161.6	0	0	112.1	S696 T703 F704	S696-E700 PolarHBondContact O-N 3Å; E700-T703 VanDerWaalsContact CA-OG1 3.29Å; E700-T703 WeakPolarHBondContact CA-OG1 3.43Å; E700-T703 PolarHBondContact O-N 3.48Å; E700-T703 PolarHBondContact O-OG1 2.77Å; E700-F704 WeakPolarHBondContact O-CB 3.23Å; E700-F704 PolarHBondContact O-N 2.87Å
701	S	49.1	Very low	56.7	Low	75 Å²	75	114.6 Å²	114.6	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-64.9	-40.9	175.7	-171.8	0	0	0	0	112.2	L697 V698 F704 E705	L697-S701 WeakPolarHBondContact O-CB 3.46Å; L697-S701 PolarHBondContact O-N 3.12Å; V698-S701 PolarHBondContact O-N 3.48Å; S701-F704 PolarHBondContact O-N 2.94Å; S701-E705 WeakPolarHBondContact O-CB 3.48Å; S701-E705 PolarHBondContact O-N 2.73Å
702	R	60.7	Low	57.7	Low	167 Å²	167	112.6 Å²	112.6	63%	0.63	57%	0.565	S	S	*	*	H	α-helix	trans	-68.9	-36.9	177.6	-75.8	-178.9	-170.7	-180	5.6	112.6	V698 E699 F704 E705 S706	V698-R702 WeakPolarHBondContact O-CG 3.49Å; V698-R702 PolarHBondContact O-N 3.26Å; E699-R702 PolarHBondContact O-N 2.95Å; R702-F704 VanDerWaalsContact C-N 3.35Å; R702-E705 PolarHBondContact O-N 3.45Å; R702-S706 WeakPolarHBondContact O-CB 3.42Å; R702-S706 PolarHBondContact O-N 3.21Å
703	T	66.9	Low	58.8	Low	81 Å²	81	111 Å²	111	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-69.8	-34.1	175.2	45.2	0	0	0	0	111.8	E699 E700 R707	E699-T703 WeakPolarHBondContact O-CG2 3.43Å; E699-T703 PolarHBondContact O-N 2.89Å; E699-T703 PolarHBondContact O-OG1 3.18Å; E700-T703 VanDerWaalsContact CA-OG1 3.29Å; E700-T703 WeakPolarHBondContact CA-OG1 3.43Å; E700-T703 PolarHBondContact O-N 3.48Å; E700-T703 PolarHBondContact O-OG1 2.77Å; T703-R707 PolarHBondContact O-N 3.24Å; T703-R707 VanDerWaalsContact O-N 3.09Å
704	F	62	Low	60	Low	145 Å²	145	109.6 Å²	109.6	64%	0.636	55%	0.551	S	S	*	*	H	α-helix	trans	-67.6	-43.4	172.2	-144.3	-87.9	0	0	0	112.1	E700 S701 R702 R707 L708	E700-F704 WeakPolarHBondContact O-CB 3.23Å; E700-F704 PolarHBondContact O-N 2.87Å; S701-F704 PolarHBondContact O-N 2.94Å; R702-F704 VanDerWaalsContact C-N 3.35Å; F704-R707 PolarHBondContact O-N 2.64Å; F704-L708 HydrophobicContact CD1-CD1 4.46Å; F704-L708 HydrophobicContact CE1-CD1 4.3Å; F704-L708 PolarHBondContact O-N 3.5Å
705	E	55.7	Low	60.7	Low	110 Å²	110	108.4 Å²	108.4	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-63.1	-42	176.7	-169.2	178.3	-174.1	0	0	111.9	S701 R702 R707 L708 Q709	S701-E705 WeakPolarHBondContact O-CB 3.48Å; S701-E705 PolarHBondContact O-N 2.73Å; R702-E705 PolarHBondContact O-N 3.45Å; E705-R707 PolarHBondContact O-N 3.48Å; E705-L708 PolarHBondContact O-N 2.86Å; E705-Q709 WeakPolarHBondContact O-CG 3.44Å; E705-Q709 PolarHBondContact O-N 3.25Å
706	S	66.2	Low	61.4	Low	76 Å²	76	105.5 Å²	105.5	53%	0.531	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-39.7	175.2	176.1	0	0	0	0	112.5	R702 Q709 S710	R702-S706 WeakPolarHBondContact O-CB 3.42Å; R702-S706 PolarHBondContact O-N 3.21Å; S706-Q709 PolarHBondContact O-N 2.61Å; S706-S710 PolarHBondContact O-N 2.93Å
707	R	65.6	Low	61.9	Low	183 Å²	183	108 Å²	108	69%	0.691	54%	0.54	S	S	*	.	H	α-helix	trans	-66.1	-39.2	173.7	-81.5	179.2	172.6	175.6	-0.8	112.3	T703 F704 E705 S710 L711	T703-R707 PolarHBondContact O-N 3.24Å; T703-R707 VanDerWaalsContact O-N 3.09Å; F704-R707 PolarHBondContact O-N 2.64Å; E705-R707 PolarHBondContact O-N 3.48Å; R707-S710 PolarHBondContact O-N 3.3Å; R707-L711 PolarHBondContact O-N 3.12Å
708	L	58.2	Low	62.6	Low	99 Å²	99	109.6 Å²	109.6	52%	0.518	55%	0.545	S	S	.	.	H	α-helix	trans	-66	-42.4	177.8	-143.5	106.2	0	0	0	111.1	F704 E705 S710 L711 L712	F704-L708 HydrophobicContact CD1-CD1 4.46Å; F704-L708 HydrophobicContact CE1-CD1 4.3Å; F704-L708 PolarHBondContact O-N 3.5Å; E705-L708 PolarHBondContact O-N 2.86Å; L708-S710 VanDerWaalsContact C-N 3.35Å; L708-L711 PolarHBondContact O-N 3.45Å; L708-L712 VanDerWaalsContact O-CB 3.29Å; L708-L712 WeakPolarHBondContact O-CB 3.12Å; L708-L712 PolarHBondContact O-N 3.13Å
709	Q	62.4	Low	62.2	Low	125 Å²	125	109 Å²	109	58%	0.584	54%	0.543	S	S	*	.	H	α-helix	trans	-63.7	-38.8	174.8	-74.8	-179.5	-5.6	0	0	112.3	E705 S706 L712 H713	E705-Q709 WeakPolarHBondContact O-CG 3.44Å; E705-Q709 PolarHBondContact O-N 3.25Å; S706-Q709 PolarHBondContact O-N 2.61Å; Q709-L712 PolarHBondContact O-N 2.67Å; Q709-H713 WeakPolarHBondContact O-CB 3.26Å; Q709-H713 PolarHBondContact O-N 2.89Å
710	S	70.2	Confident	62	Low	63 Å²	63	107.8 Å²	107.8	44%	0.441	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-47.6	175.3	-167.1	0	0	0	0	112	S706 R707 L708 L712 H713 E714	S706-S710 PolarHBondContact O-N 2.93Å; R707-S710 PolarHBondContact O-N 3.3Å; L708-S710 VanDerWaalsContact C-N 3.35Å; S710-L712 VanDerWaalsContact C-N 3.3Å; S710-L712 PolarHBondContact O-N 3.36Å; S710-H713 PolarHBondContact O-N 3.25Å; S710-E714 PolarHBondContact O-N 2.97Å
711	L	65.4	Low	61.5	Low	103 Å²	103	105.2 Å²	105.2	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-38.4	177.7	-80.1	163	0	0	0	111.9	R707 L708 H713 E714 T715	R707-L711 PolarHBondContact O-N 3.12Å; L708-L711 PolarHBondContact O-N 3.45Å; L711-H713 VanDerWaalsContact C-N 3.34Å; L711-E714 PolarHBondContact O-N 2.87Å; L711-T715 WeakPolarHBondContact O-CB 3.48Å; L711-T715 PolarHBondContact O-N 3.04Å; L711-T715 PolarHBondContact O-OG1 3.47Å
712	L	62	Low	61.3	Low	103 Å²	103	104.7 Å²	104.7	54%	0.539	53%	0.53	S	S	.	.	H	α-helix	trans	-69.1	-35.7	178.3	-152.1	138.3	0	0	0	111.1	L708 Q709 S710 I716	L708-L712 VanDerWaalsContact O-CB 3.29Å; L708-L712 WeakPolarHBondContact O-CB 3.12Å; L708-L712 PolarHBondContact O-N 3.13Å; Q709-L712 PolarHBondContact O-N 2.67Å; S710-L712 VanDerWaalsContact C-N 3.3Å; S710-L712 PolarHBondContact O-N 3.36Å; L712-I716 HydrophobicContact CD2-CD1 3.69Å; L712-I716 VanDerWaalsContact O-CG1 3.23Å; L712-I716 WeakPolarHBondContact O-CG1 2.89Å; L712-I716 PolarHBondContact O-N 2.99Å
713	H	68.6	Low	60.5	Low	121 Å²	121	101.9 Å²	101.9	56%	0.56	53%	0.525	S	S	*	.	H	α-helix	trans	-68.8	-43.9	174.2	-162.1	57.8	0	0	0	112.4	Q709 S710 L711 T715 I716 Q717	Q709-H713 WeakPolarHBondContact O-CB 3.26Å; Q709-H713 PolarHBondContact O-N 2.89Å; S710-H713 PolarHBondContact O-N 3.25Å; L711-H713 VanDerWaalsContact C-N 3.34Å; H713-T715 VanDerWaalsContact C-N 3.34Å; H713-T715 PolarHBondContact O-N 3.03Å; H713-I716 PolarHBondContact O-N 3.11Å; H713-Q717 WeakPolarHBondContact O-CB 3.33Å; H713-Q717 PolarHBondContact O-N 3.07Å
714	E	68.8	Low	59.5	Low	108 Å²	108	104.1 Å²	104.1	51%	0.505	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-42.6	174.6	-76.9	177	171.6	0	0	111.7	S710 L711 I716 Q717 E718	S710-E714 PolarHBondContact O-N 2.97Å; L711-E714 PolarHBondContact O-N 2.87Å; E714-I716 PolarHBondContact O-N 3.31Å; E714-Q717 PolarHBondContact O-N 2.87Å; E714-E718 PolarHBondContact O-N 2.95Å
715	T	60.6	Low	58.6	Low	87 Å²	87	103 Å²	103	53%	0.534	53%	0.528	S	S	.	.	H	α-helix	trans	-65.4	-39.1	178	-51.6	0	0	0	0	111.8	L711 H713 S719	L711-T715 WeakPolarHBondContact O-CB 3.48Å; L711-T715 PolarHBondContact O-N 3.04Å; L711-T715 PolarHBondContact O-OG1 3.47Å; H713-T715 VanDerWaalsContact C-N 3.34Å; H713-T715 PolarHBondContact O-N 3.03Å; T715-S719 WeakPolarHBondContact O-CB 3.36Å; T715-S719 PolarHBondContact O-N 3.03Å
716	I	65.3	Low	57.7	Low	74 Å²	74	103.5 Å²	103.5	38%	0.379	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-44.5	174.6	-71.9	168.6	0	0	0	110	L712 H713 E714 E718 S719 E720	L712-I716 HydrophobicContact CD2-CD1 3.69Å; L712-I716 VanDerWaalsContact O-CG1 3.23Å; L712-I716 WeakPolarHBondContact O-CG1 2.89Å; L712-I716 PolarHBondContact O-N 2.99Å; H713-I716 PolarHBondContact O-N 3.11Å; E714-I716 PolarHBondContact O-N 3.31Å; I716-E718 PolarHBondContact O-N 2.93Å; I716-S719 PolarHBondContact O-N 3.42Å; I716-S719 VanDerWaalsContact O-N 3.15Å; I716-S719 PolarHBondContact O-OG 3.03Å; I716-E720 HydrophobicContact CG2-CG 4.38Å; I716-E720 WeakPolarHBondContact O-CG 3.31Å; I716-E720 PolarHBondContact O-N 3Å
717	Q	63.2	Low	56.5	Low	116 Å²	116	107.2 Å²	107.2	54%	0.542	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-40.5	178.2	-123.2	178.4	-11.9	0	0	112.6	H713 E714 S719 E720 S721	H713-Q717 WeakPolarHBondContact O-CB 3.33Å; H713-Q717 PolarHBondContact O-N 3.07Å; E714-Q717 PolarHBondContact O-N 2.87Å; Q717-S719 VanDerWaalsContact C-N 3.35Å; Q717-E720 PolarHBondContact O-N 2.98Å; Q717-S721 WeakPolarHBondContact O-CB 3.23Å; Q717-S721 PolarHBondContact O-N 3.48Å
718	E	63	Low	55.3	Low	140 Å²	140	105.6 Å²	105.6	65%	0.654	54%	0.541	S	S	*	.	H	α-helix	trans	-65.5	-36.9	173.1	-78.8	-172.2	156.9	0	0	112.1	E714 I716 S722	E714-E718 PolarHBondContact O-N 2.95Å; I716-E718 PolarHBondContact O-N 2.93Å; E718-S722 VanDerWaalsContact O-CB 3.28Å; E718-S722 WeakPolarHBondContact O-CB 3.49Å; E718-S722 PolarHBondContact O-N 3.15Å; E718-S722 PolarHBondContact O-OG 3.42Å
719	S	49.3	Very low	54.5	Low	58 Å²	58	109.1 Å²	109.1	41%	0.406	55%	0.547	S	S	.	.	H	α-helix	trans	-68.7	-37.5	175.8	85.3	0	0	0	0	112.5	T715 I716 Q717 S722 M723	T715-S719 WeakPolarHBondContact O-CB 3.36Å; T715-S719 PolarHBondContact O-N 3.03Å; I716-S719 PolarHBondContact O-N 3.42Å; I716-S719 VanDerWaalsContact O-N 3.15Å; I716-S719 PolarHBondContact O-OG 3.03Å; Q717-S719 VanDerWaalsContact C-N 3.35Å; S719-S722 PolarHBondContact O-N 2.95Å; S719-M723 PolarHBondContact O-N 3.43Å
720	E	57.4	Low	53.3	Low	107 Å²	107	107.3 Å²	107.3	50%	0.5	55%	0.545	S	S	.	.	H	α-helix	trans	-71.4	-41	176.9	-74.2	-177.1	161.5	0	0	111.2	I716 Q717 S722 M723 E724	I716-E720 HydrophobicContact CG2-CG 4.38Å; I716-E720 WeakPolarHBondContact O-CG 3.31Å; I716-E720 PolarHBondContact O-N 3Å; Q717-E720 PolarHBondContact O-N 2.98Å; E720-S722 VanDerWaalsContact C-N 3.34Å; E720-S722 PolarHBondContact O-N 2.75Å; E720-M723 HydrophobicContact CG-CE 4.14Å; E720-M723 CarbonylContact O-C 3.57Å; E720-M723 WeakPolarHBondContact O-CB 3.5Å; E720-M723 PolarHBondContact O-N 3.4Å; E720-E724 PolarHBondContact O-N 3.3Å
721	S	50.8	Low	52.1	Low	68 Å²	68	116 Å²	116	48%	0.476	57%	0.568	S	S	.	*	H	α-helix	trans	-63.3	-38.8	172	-175.5	0	0	0	0	112	Q717 M723 E724 M725	Q717-S721 WeakPolarHBondContact O-CB 3.23Å; Q717-S721 PolarHBondContact O-N 3.48Å; S721-M723 VanDerWaalsContact C-N 3.34Å; S721-M723 PolarHBondContact O-N 3.05Å; S721-E724 PolarHBondContact O-N 3.48Å; S721-M725 PolarHBondContact O-N 3.31Å
722	S	46	Very low	50.7	Low	65 Å²	65	117.8 Å²	117.8	46%	0.455	58%	0.577	S	S	.	*	H	α-helix	trans	-66.4	-34.5	173.6	-62.2	0	0	0	0	112.4	E718 S719 E720 L726	E718-S722 VanDerWaalsContact O-CB 3.28Å; E718-S722 WeakPolarHBondContact O-CB 3.49Å; E718-S722 PolarHBondContact O-N 3.15Å; E718-S722 PolarHBondContact O-OG 3.42Å; S719-S722 PolarHBondContact O-N 2.95Å; E720-S722 VanDerWaalsContact C-N 3.34Å; E720-S722 PolarHBondContact O-N 2.75Å; S722-L726 PolarHBondContact O-N 3.34Å
723	M	43.6	Very low	49.4	Very low	107 Å²	107	122.6 Å²	122.6	53%	0.527	59%	0.588	S	S	.	*	H	α-helix	trans	-72.3	-32.9	172.2	-87.9	-171.7	-62.2	0	0	113.3	S719 E720 S721 L726 K727	S719-M723 PolarHBondContact O-N 3.43Å; E720-M723 HydrophobicContact CG-CE 4.14Å; E720-M723 CarbonylContact O-C 3.57Å; E720-M723 WeakPolarHBondContact O-CB 3.5Å; E720-M723 PolarHBondContact O-N 3.4Å; S721-M723 VanDerWaalsContact C-N 3.34Å; S721-M723 PolarHBondContact O-N 3.05Å; M723-L726 WeakPolarHBondContact O-CB 3.18Å; M723-L726 PolarHBondContact O-N 3.2Å; M723-K727 PolarHBondContact O-N 3.32Å
724	E	44.5	Very low	47.8	Very low	129 Å²	129	120.8 Å²	120.8	60%	0.603	60%	0.602	S	S	*	*	H	α-helix	trans	-69.4	-39.1	171.9	-81.7	-172.3	149.6	0	0	111.9	E720 S721 L726 K727 E728	E720-E724 PolarHBondContact O-N 3.3Å; S721-E724 PolarHBondContact O-N 3.48Å; E724-L726 PolarHBondContact O-N 3.31Å; E724-K727 WeakPolarHBondContact O-CA 3.41Å; E724-K727 WeakPolarHBondContact O-CB 3.43Å; E724-K727 PolarHBondContact O-N 3.29Å; E724-E728 PolarHBondContact O-N 3.48Å
725	M	43.7	Very low	45.9	Very low	120 Å²	120	124.1 Å²	124.1	59%	0.591	62%	0.618	S	S	*	*	H	α-helix	trans	-60.3	-30.2	169.3	-87.1	-140.9	-61.6	0	0	112.8	S721 K727 W729	S721-M725 PolarHBondContact O-N 3.31Å; M725-K727 VanDerWaalsContact C-N 3.35Å; M725-W729 PolarHBondContact O-NE1 3.04Å
726	L	38.1	Very low	44.5	Very low	121 Å²	121	127.8 Å²	127.8	63%	0.634	63%	0.629	S	S	*	*	H	α-helix	trans	-73.1	-23.3	172.5	-80.8	161.8	0	0	0	113.2	S722 M723 E724	S722-L726 PolarHBondContact O-N 3.34Å; M723-L726 WeakPolarHBondContact O-CB 3.18Å; M723-L726 PolarHBondContact O-N 3.2Å; E724-L726 PolarHBondContact O-N 3.31Å
727	K	39.8	Very low	42.8	Very low	154 Å²	154	129.6 Å²	129.6	67%	0.67	65%	0.648	S	S	*	*	H	α-helix	trans	-78.6	-22	174.1	-72.7	175.3	-179.4	168.9	0	113.1	M723 E724 M725 W729 T730	M723-K727 PolarHBondContact O-N 3.32Å; E724-K727 WeakPolarHBondContact O-CA 3.41Å; E724-K727 WeakPolarHBondContact O-CB 3.43Å; E724-K727 PolarHBondContact O-N 3.29Å; M725-K727 VanDerWaalsContact C-N 3.35Å; K727-W729 PolarHBondContact O-N 2.84Å; K727-T730 WeakPolarHBondContact O-CG2 3.03Å
728	E	39.7	Very low	41.1	Very low	149 Å²	149	132.6 Å²	132.6	70%	0.696	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-6.7	173.6	-73.6	-169.9	148.5	0	0	114	E724 T730	E724-E728 PolarHBondContact O-N 3.48Å; E728-T730 PolarHBondContact O-N 3.32Å
729	W	41.7	Very low	39.5	Very low	173 Å²	173	130.7 Å²	130.7	66%	0.655	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-80.1	29.6	175.3	-65	70.1	0	0	0	113.7	M725 K727 W731 L732	M725-W729 PolarHBondContact O-NE1 3.04Å; K727-W729 PolarHBondContact O-N 2.84Å; W729-W731 PolarHBondContact O-N 3.31Å; W729-L732 HydrophobicContact CE3-CD1 3.93Å; W729-L732 PolarHBondContact O-N 3.26Å
730	T	38.4	Very low	38.7	Very low	87 Å²	87	132.7 Å²	132.7	53%	0.534	68%	0.676	S	S	.	*	G	3₁₀ helix	trans	-68.7	-12.7	178.5	36.5	0	0	0	0	114.2	K727 E728 L732 R733	K727-T730 WeakPolarHBondContact O-CG2 3.03Å; E728-T730 PolarHBondContact O-N 3.32Å; T730-L732 PolarHBondContact O-N 2.96Å; T730-R733 PolarHBondContact O-N 3.41Å
731	W	44.4	Very low	37.4	Very low	246 Å²	246	134.9 Å²	134.9	93%	0.932	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-71.2	-2.3	173.8	-74.2	88.2	0	0	0	115	W729	W729-W731 PolarHBondContact O-N 3.31Å
732	L	36	Very low	36.3	Very low	140 Å²	140	140.1 Å²	140.1	73%	0.733	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-101.2	0.5	175.6	-79.9	162.8	0	0	0	114.5	W729 T730	W729-L732 HydrophobicContact CE3-CD1 3.93Å; W729-L732 PolarHBondContact O-N 3.26Å; T730-L732 PolarHBondContact O-N 2.96Å
733	R	34.2	Very low	35.6	Very low	205 Å²	205	146.3 Å²	146.3	77%	0.774	76%	0.756	S	S	*	*	S	Bend	trans	-89.2	108	164.8	-73.5	-171	-130.2	-125.5	0.5	108.9	T730 E735	T730-R733 PolarHBondContact O-N 3.41Å; R733-E735 VanDerWaalsContact C-N 3.3Å; R733-E735 PolarHBondContact O-N 2.69Å
734	G	35.5	Very low	35.2	Very low	82 Å²	82	148.3 Å²	148.3	85%	0.845	77%	0.767	S	S	*	*			trans	-67.4	86.9	170	0	0	0	0	0	111.1
735	E	29.7	Very low	34.7	Very low	179 Å²	179	149.3 Å²	149.3	84%	0.836	78%	0.776	S	S	*	*			trans	-107.4	97.5	154.3	-77	-172.7	173.3	0	0	107.7	R733 S737	R733-E735 VanDerWaalsContact C-N 3.3Å; R733-E735 PolarHBondContact O-N 2.69Å; E735-S737 PolarHBondContact O-N 3.42Å; E735-S737 VanDerWaalsContact O-N 3.13Å
736	Q	31.3	Very low	34.2	Very low	163 Å²	163	150.9 Å²	150.9	76%	0.762	79%	0.786	S	S	*	*			trans	-73.4	93.4	162.5	-78.9	-177.9	-16.9	0	0	108	F738	Q736-F738 HydrophobicContact CB-CD2 4.31Å; Q736-F738 HydrophobicContact CB-CE2 4.33Å; Q736-F738 PolarHBondContact O-N 3.44Å; Q736-F738 VanDerWaalsContact O-N 3.16Å
737	S	27.7	Very low	34	Very low	112 Å²	112	152.6 Å²	152.6	78%	0.783	80%	0.795	S	S	*	*			trans	-70.6	99.1	157.2	58.5	0	0	0	0	108.1	E735 S739	E735-S737 PolarHBondContact O-N 3.42Å; E735-S737 VanDerWaalsContact O-N 3.13Å; S737-S739 PolarHBondContact O-N 3.27Å
738	F	29.1	Very low	33.6	Very low	180 Å²	180	152.6 Å²	152.6	79%	0.789	80%	0.803	S	S	*	*			trans	-69.7	98.3	163.7	-89.9	-88.6	0	0	0	108.3	Q736 S740	Q736-F738 HydrophobicContact CB-CD2 4.31Å; Q736-F738 HydrophobicContact CB-CE2 4.33Å; Q736-F738 PolarHBondContact O-N 3.44Å; Q736-F738 VanDerWaalsContact O-N 3.16Å; F738-S740 PolarHBondContact O-N 3.02Å
739	S	27.8	Very low	33.2	Very low	100 Å²	100	152.8 Å²	152.8	70%	0.699	81%	0.81	S	S	*	*			trans	-68.2	120.6	161.3	-173.9	0	0	0	0	108.4	S737 D741	S737-S739 PolarHBondContact O-N 3.27Å; S739-D741 PolarHBondContact O-N 3.09Å
740	S	34.5	Very low	32.6	Very low	100 Å²	100	151.4 Å²	151.4	70%	0.699	82%	0.821	S	S	*	*			trans	-52.8	123.6	160.7	48	0	0	0	0	110.7	F738	F738-S740 PolarHBondContact O-N 3.02Å
741	D	28.6	Very low	32.2	Very low	152 Å²	152	156.3 Å²	156.3	81%	0.813	84%	0.843	S	S	*	*			trans	-162.1	92	152.7	-91.4	-28.7	0	0	0	108.8	S739	S739-D741 PolarHBondContact O-N 3.09Å
742	L	27.5	Very low	31.2	Very low	179 Å²	179	148.8 Å²	148.8	94%	0.937	84%	0.836	S	S	*	*			trans	-145	104.3	156	-91	170.9	0	0	0	107.4
743	S	32.3	Very low	30.7	Very low	194 Å²	194	149.6 Å²	149.6	100%	1.357	85%	0.845	S	S	*	*			trans	-73.6	0	156.9	38.4	0	0	0	0	111.9

Retrieved 743 of 743 residues in 1707.7 ms (Link to these results)

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