A0A077ZIV1_TRITR Loading...

PolyA pol and SH3 3 and PolyA pol RNAbd and HD do main containing protein

AlphaFold DB , UniProt , Accession A0A077ZIV1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 577 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	40.3	Very low	41.2	Very low	240 Å²	240	155.1 Å²	155.1	100%	1.182	82%	0.817	S	S	*	*				0	146.6	0	-72.7	-173.7	169.9	0	0	108.3
2	P	50.7	Low	40.7	Very low	104 Å²	104	155.7 Å²	155.7	68%	0.675	82%	0.82	S	S	*	*			cis	-132.4	155.5	-40.2	23.9	-2.8	0	0	0	113.6
3	K	40.1	Very low	40.2	Very low	185 Å²	185	149.8 Å²	149.8	80%	0.804	81%	0.807	S	S	*	*			trans	57.2	142.3	132.5	-53.7	167.9	-173.8	178.3	0	119.4
4	L	41.9	Very low	39.9	Very low	129 Å²	129	151.3 Å²	151.3	68%	0.675	81%	0.813	S	S	*	*				-169.2	131.2	54.8	-115.8	100.8	0	0	0	107.7
5	R	40.6	Very low	39.4	Very low	211 Å²	211	149.1 Å²	149.1	80%	0.796	81%	0.814	S	S	*	*				74.4	141.7	96.8	-77.4	-165	-177.6	177.8	-2.3	114.5
6	L	39.2	Very low	39.2	Very low	143 Å²	143	145.9 Å²	145.9	75%	0.749	81%	0.814	S	S	*	*			cis	-176.1	179.8	-2.5	-155.5	99.9	0	0	0	106.2
7	I	42.4	Very low	38.8	Very low	170 Å²	170	145.8 Å²	145.8	87%	0.872	82%	0.818	S	S	*	*			trans	107.2	122.3	170.9	-54.5	156	0	0	0	111
8	G	46.7	Very low	38.7	Very low	76 Å²	76	143.3 Å²	143.3	78%	0.784	82%	0.819	S	S	*	*			cis	-152.5	172.9	10.5	0	0	0	0	0	113.4
9	L	35.9	Very low	38.6	Very low	159 Å²	159	141.9 Å²	141.9	83%	0.832	81%	0.813	S	S	*	*			trans	-127.5	160.4	-170.8	-155.7	135	0	0	0	108.6
10	T	37.9	Very low	38.5	Very low	118 Å²	118	140.7 Å²	140.7	72%	0.724	81%	0.813	S	S	*	*			trans	92.4	128.7	177.3	69.9	0	0	0	0	114.1
11	L	37.7	Very low	38.9	Very low	171 Å²	171	141 Å²	141	90%	0.895	81%	0.807	S	S	*	*			cis	-153.5	162.9	39	-117.8	120.2	0	0	0	112.9
12	L	35.5	Very low	39.3	Very low	162 Å²	162	134 Å²	134	85%	0.848	79%	0.787	S	S	*	*			trans	-78.9	155	-172.2	-129.2	87.3	0	0	0	115.1
13	A	33.8	Very low	40.3	Very low	79 Å²	79	135.3 Å²	135.3	65%	0.653	79%	0.785	S	S	*	*			trans	74.1	110.3	142.3	0	0	0	0	0	120.5
14	L	35.7	Very low	42.2	Very low	171 Å²	171	130.5 Å²	130.5	90%	0.895	77%	0.765	S	S	*	*				-175.4	135.6	106.3	-120.6	88.1	0	0	0	110.6
15	S	32.6	Very low	44.2	Very low	118 Å²	118	127.5 Å²	127.5	83%	0.825	75%	0.752	S	S	*	*			trans	-74.9	128.5	176.3	43.4	0	0	0	0	113
16	A	36.3	Very low	46.2	Very low	99 Å²	99	120.2 Å²	120.2	82%	0.818	73%	0.725	S	S	*	*			trans	-156.9	121.6	155.2	0	0	0	0	0	110.2
17	T	32.8	Very low	48.4	Very low	143 Å²	143	115.8 Å²	115.8	88%	0.877	70%	0.699	S	S	*	*			trans	-68.1	124.9	176.4	44.3	0	0	0	0	111.5
18	A	36.8	Very low	50.2	Low	101 Å²	101	107.8 Å²	107.8	84%	0.835	66%	0.658	S	S	*	*			trans	-116	105.6	166.3	0	0	0	0	0	109.1
19	V	37.3	Very low	51.7	Low	117 Å²	117	105.4 Å²	105.4	71%	0.709	63%	0.629	S	S	*	*			trans	-83.8	112	166.7	175.3	0	0	0	0	106.5	H21	V19-H21 PolarHBondContact O-N 2.78Å
20	S	36.1	Very low	53.3	Low	117 Å²	117	101.8 Å²	101.8	82%	0.818	61%	0.61	S	S	*	*			trans	-80.9	105.8	171	59	0	0	0	0	109.5
21	H	46.6	Very low	54.4	Low	147 Å²	147	103.5 Å²	103.5	68%	0.681	61%	0.61	S	S	*	*			trans	-74.7	128.5	165.9	-80.3	-61.2	0	0	0	109.4	V19	V19-H21 PolarHBondContact O-N 2.78Å
22	A	48.4	Very low	55.6	Low	93 Å²	93	103.3 Å²	103.3	77%	0.769	61%	0.609	S	S	*	*			trans	-64.6	131.4	176	0	0	0	0	0	110.4	E24	A22-E24 PolarHBondContact O-N 3.39Å
23	E	71.6	Confident	57.1	Low	133 Å²	133	99.3 Å²	99.3	62%	0.621	59%	0.589	S	S	*	*			trans	-65.1	115.9	175.7	-71.9	-174.4	154.9	0	0	109.7	T57	E23-T57 HydrophobicContact CB-CG2 3.64Å; E23-T57 HydrophobicContact CG-CG2 3.92Å
24	E	81.2	Confident	59.1	Low	84 Å²	84	96.2 Å²	96.2	39%	0.393	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.2	127.9	179.1	-169	-173.9	-171.5	0	0	110.1	A22 R26 L58	A22-E24 PolarHBondContact O-N 3.39Å; E24-R26 VanDerWaalsContact CD-NE 3.33Å; E24-R26 IonicContact OE1-CZ 2.78Å; E24-R26 IonicContact OE1-NE 2.83Å; E24-R26 PolarHBondContact OE1-NE 3.04Å; E24-R26 IonicContact OE1-NH2 3.77Å; E24-R26 PolarHBondContact OE1-NH2 3.49Å; E24-R26 IonicContact OE2-CZ 2.67Å; E24-R26 IonicContact OE2-NE 2.85Å; E24-R26 PolarHBondContact OE2-NE 3.38Å; E24-R26 IonicContact OE2-NH2 2.68Å; E24-R26 PolarHBondContact OE2-NH2 3.03Å; E24-L58 HydrophobicContact CB-CB 4.35Å; E24-L58 VanDerWaalsContact O-CB 3.31Å; E24-L58 WeakPolarHBondContact O-CB 3.49Å; E24-L58 PolarHBondContact O-N 3.45Å
25	T	83.4	Confident	61.3	Low	66 Å²	66	95.2 Å²	95.2	41%	0.405	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.4	175.3	-60.1	0	0	0	0	110.9	E55	T25-E55 HydrophobicContact CG2-CG 3.46Å; T25-E55 VanDerWaalsContact CG2-CG 3.46Å; T25-E55 WeakPolarHBondContact CG2-OE1 3.38Å
26	R	83.4	Confident	63.9	Low	57 Å²	57	89.9 Å²	89.9	22%	0.215	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	162.6	175.4	-63.2	-67.9	-176	145.6	-9.4	109.9	E24 V56 L58 L85	E24-R26 VanDerWaalsContact CD-NE 3.33Å; E24-R26 IonicContact OE1-CZ 2.78Å; E24-R26 IonicContact OE1-NE 2.83Å; E24-R26 PolarHBondContact OE1-NE 3.04Å; E24-R26 IonicContact OE1-NH2 3.77Å; E24-R26 PolarHBondContact OE1-NH2 3.49Å; E24-R26 IonicContact OE2-CZ 2.67Å; E24-R26 IonicContact OE2-NE 2.85Å; E24-R26 PolarHBondContact OE2-NE 3.38Å; E24-R26 IonicContact OE2-NH2 2.68Å; E24-R26 PolarHBondContact OE2-NH2 3.03Å; R26-V56 HydrophobicContact CB-CG2 4.3Å; R26-V56 PolarHBondContact N-O 2.89Å; R26-V56 PolarHBondContact O-N 3.49Å; R26-V56 VanDerWaalsContact O-O 3.06Å; R26-L58 HydrophobicContact CG-CB 4.13Å; R26-L58 HydrophobicContact CG-CD2 4.45Å; R26-L85 HydrophobicContact CB-CB 4.39Å; R26-L85 HydrophobicContact CB-CD2 4.09Å
27	Y	83.5	Confident	66.3	Low	51 Å²	51	87.3 Å²	87.3	20%	0.2	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.3	177.5	-58	-86.6	0	0	0	110.4	E54 E55 L85 S86 E88 P89	Y27-E54 WeakPolarHBondContact CA-O 3.39Å; Y27-E55 HydrophobicContact CD1-CB 4.19Å; Y27-E55 HydrophobicContact CD1-CG 4.44Å; Y27-E55 HydrophobicContact CE1-CB 4.04Å; Y27-E55 HydrophobicContact CE1-CG 4.02Å; Y27-L85 CarbonylContact O-C 3.57Å; Y27-L85 WeakPolarHBondContact O-CA 3.41Å; Y27-S86 PolarHBondContact N-O 3.47Å; Y27-S86 PolarHBondContact O-N 3.03Å; Y27-E88 WeakPolarHBondContact CD2-O 3.43Å; Y27-P89 HydrophobicContact CE1-CB 4.36Å; Y27-P89 HydrophobicContact CE2-CB 4.36Å; Y27-P89 HydrophobicContact CE2-CG 3.99Å
28	V	80.9	Confident	69	Low	2 Å²	2	83.6 Å²	83.6	1%	0.012	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.7	171.8	179.6	0	0	0	0	109.3	T34 V50 G53 E54 V56 I80 Q84 L85	V28-T34 HydrophobicContact CG1-CG2 4Å; V28-V50 HydrophobicContact CG2-CB 4.45Å; V28-V50 HydrophobicContact CG2-CG1 3.66Å; V28-G53 WeakPolarHBondContact O-CA 3.25Å; V28-G53 PolarHBondContact O-N 3.25Å; V28-E54 PolarHBondContact N-O 3.49Å; V28-V56 HydrophobicContact CG2-CG1 4.02Å; V28-V56 HydrophobicContact CG2-CG2 4.34Å; V28-I80 HydrophobicContact CG1-CD1 4.21Å; V28-I80 HydrophobicContact CG2-CD1 4.04Å; V28-Q84 CarbonylContact C-O 3.56Å; V28-Q84 WeakPolarHBondContact CA-O 3.44Å; V28-L85 HydrophobicContact CG2-CD2 4.48Å
29	S	77.8	Confident	71.4	Confident	26 Å²	26	78.9 Å²	78.9	18%	0.182	42%	0.418	C	S	.	.			trans	-51.7	151.5	-179.5	62.4	0	0	0	0	112.6	E31 Q84	S29-E31 PolarHBondContact O-N 3.34Å; S29-Q84 PolarHBondContact N-O 3.3Å
30	D	69.7	Low	73.8	Confident	83 Å²	83	74.6 Å²	74.6	44%	0.444	39%	0.393	S	S	.	.	S	Bend	trans	-70.4	6	-176.9	-73.5	-20.1	0	0	0	114.9	S90 L91	D30-S90 WeakPolarHBondContact OD1-CA 3.42Å; D30-S90 WeakPolarHBondContact OD1-CB 3.45Å; D30-L91 PolarHBondContact OD2-N 3.08Å
31	E	61.6	Low	76.1	Confident	154 Å²	154	69.4 Å²	69.4	72%	0.72	36%	0.358	S	S	*	.	S	Bend	trans	-84.1	144.4	173.5	-62.3	-169.9	176.7	0	0	111.7	S29 A52	S29-E31 PolarHBondContact O-N 3.34Å; E31-A52 VanDerWaalsContact O-CB 3.26Å; E31-A52 WeakPolarHBondContact O-CB 3.32Å
32	L	61.9	Low	77.9	Confident	167 Å²	167	67.2 Å²	67.2	87%	0.874	35%	0.351	S	S	*	.	S	Bend	trans	-35.1	137.6	-177.3	-86.3	146.2	0	0	0	114.4	T34	L32-T34 PolarHBondContact O-N 2.73Å
33	N	68.1	Low	79.7	Confident	78 Å²	78	71.9 Å²	71.9	42%	0.417	36%	0.357	S	S	.	.			trans	-12.6	114.5	-179.4	-68.1	-2	0	0	0	114.9
34	T	74.9	Confident	80.5	Confident	13 Å²	13	70.7 Å²	70.7	8%	0.08	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.3	178.7	-158	0	0	0	0	111.7	V28 L32 T49 V50 I80 Q84	V28-T34 HydrophobicContact CG1-CG2 4Å; L32-T34 PolarHBondContact O-N 2.73Å; T34-T49 CarbonylContact O-C 3.59Å; T34-T49 VanDerWaalsContact O-CA 3.25Å; T34-T49 WeakPolarHBondContact O-CA 3.34Å; T34-V50 PolarHBondContact N-O 3.06Å; T34-V50 PolarHBondContact O-N 3.1Å; T34-I80 HydrophobicContact CG2-CD1 3.44Å; T34-I80 VanDerWaalsContact CG2-CD1 3.44Å; T34-I80 HydrophobicContact CG2-CG1 3.9Å; T34-Q84 PolarHBondContact OG1-NE2 3.27Å; T34-Q84 PolarHBondContact OG1-OE1 2.85Å
35	W	82.2	Confident	80.8	Confident	150 Å²	150	75.9 Å²	75.9	57%	0.568	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.3	176.1	-63.6	88.1	0	0	0	109.9	L46 G48 T49	W35-L46 HydrophobicContact CB-CD1 4.18Å; W35-L46 HydrophobicContact CB-CD2 3.71Å; W35-L46 HydrophobicContact CB-CG 4.45Å; W35-L46 HydrophobicContact CD2-CD1 3.95Å; W35-L46 HydrophobicContact CE3-CB 4.28Å; W35-L46 HydrophobicContact CE3-CD1 3.83Å; W35-L46 HydrophobicContact CG-CD1 4.12Å; W35-G48 WeakPolarHBondContact CA-O 3.22Å; W35-T49 HydrophobicContact CD2-CG2 3.78Å; W35-T49 HydrophobicContact CE3-CG2 3.57Å; W35-T49 HydrophobicContact CG-CG2 4.44Å; W35-T49 HydrophobicContact CH2-CG2 4.13Å; W35-T49 HydrophobicContact CZ2-CG2 4.3Å; W35-T49 HydrophobicContact CZ3-CG2 3.76Å
36	V	86.6	Confident	80.9	Confident	6 Å²	6	76.4 Å²	76.4	4%	0.036	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	149.2	176.6	-69.4	0	0	0	0	111.5	L46 V47 G48 V50 A78 W79 I80	V36-L46 WeakPolarHBondContact O-CA 3.38Å; V36-V47 HydrophobicContact CG2-CG2 4.17Å; V36-V47 WeakPolarHBondContact O-CG2 3.48Å; V36-V47 PolarHBondContact O-N 3.35Å; V36-G48 WeakPolarHBondContact CG2-O 3.49Å; V36-G48 PolarHBondContact N-O 3.18Å; V36-V50 HydrophobicContact CB-CG2 4.49Å; V36-V50 HydrophobicContact CG1-CB 4.28Å; V36-V50 HydrophobicContact CG1-CG2 3.45Å; V36-V50 VanDerWaalsContact CG1-CG2 3.45Å; V36-V50 HydrophobicContact CG2-CG2 4.25Å; V36-A78 HydrophobicContact CB-CB 3.56Å; V36-A78 HydrophobicContact CG1-CB 4.25Å; V36-A78 HydrophobicContact CG2-CB 3.68Å; V36-W79 WeakPolarHBondContact CA-O 3.18Å; V36-I80 HydrophobicContact CG1-CB 4.38Å
37	R	88.6	Confident	81.1	Confident	46 Å²	46	76.9 Å²	76.9	17%	0.174	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	154.6	-170.2	-60.4	-169.8	178.8	-97.1	11.2	112.8	G39 G41 D42 Y44 R45 L46 V47 Y67 W79	R37-G39 PolarHBondContact O-N 2.76Å; R37-G41 WeakPolarHBondContact CD-O 3.28Å; R37-D42 VanDerWaalsContact CZ-CA 3.5Å; R37-D42 IonicContact CZ-OD1 2.77Å; R37-D42 IonicContact NE-OD1 3.97Å; R37-D42 PolarHBondContact NH1-O 2.74Å; R37-D42 IonicContact NH2-OD1 2.82Å; R37-D42 PolarHBondContact NH2-OD1 3.24Å; R37-Y44 PolarHBondContact NH1-O 3.42Å; R37-R45 WeakPolarHBondContact CA-O 3.44Å; R37-L46 HydrophobicContact CG-CD2 3.89Å; R37-V47 VanDerWaalsContact C-CG2 3.47Å; R37-Y67 HydrophobicContact CG-CE1 4.36Å; R37-Y67 PolarHBondContact NE-OH 2.92Å; R37-W79 HydrophobicContact CB-CB 4.41Å; R37-W79 PolarHBondContact N-O 2.71Å; R37-W79 PolarHBondContact O-N 3.42Å
38	S	87.9	Confident	81.2	Confident	64 Å²	64	75.3 Å²	75.3	45%	0.448	37%	0.372	S	S	.	.	S	Bend	trans	-71.5	-9.9	176.3	66.1	0	0	0	0	114.1	R45	S38-R45 PolarHBondContact N-O 3.19Å
39	G	87.3	Confident	81.4	Confident	2 Å²	2	77.6 Å²	77.6	2%	0.021	39%	0.386	C	S	.	.	S	Bend	trans	-161.6	174.1	-179.1	0	0	0	0	0	113.1	R37 G41 Y44 W79	R37-G39 PolarHBondContact O-N 2.76Å; G39-G41 PolarHBondContact O-N 2.84Å; G39-Y44 WeakPolarHBondContact O-CD2 3.43Å; G39-W79 VanDerWaalsContact C-CG 3.45Å; G39-W79 WeakPolarHBondContact O-CB 3.34Å
40	P	87.8	Confident	81.6	Confident	28 Å²	28	76.5 Å²	76.5	18%	0.182	38%	0.378	C	S	.	.	S	Bend	trans	-77.4	83.2	-172.9	31.4	-35.4	0	0	0	111.7	Y44 D62 T65 W79	P40-Y44 HydrophobicContact CG-CE2 4.21Å; P40-D62 HydrophobicContact CB-CB 4.04Å; P40-D62 WeakPolarHBondContact CB-OD2 3.47Å; P40-T65 WeakPolarHBondContact O-CB 3.4Å; P40-T65 VanDerWaalsContact O-CG2 3.3Å; P40-T65 WeakPolarHBondContact O-CG2 3.49Å; P40-T65 PolarHBondContact O-OG1 3.33Å; P40-W79 HydrophobicContact CB-CD2 3.9Å; P40-W79 HydrophobicContact CB-CE3 3.65Å; P40-W79 HydrophobicContact CB-CH2 3.87Å; P40-W79 HydrophobicContact CB-CZ2 4.14Å; P40-W79 HydrophobicContact CB-CZ3 3.64Å; P40-W79 HydrophobicContact CG-CH2 4.24Å; P40-W79 HydrophobicContact CG-CZ2 4.17Å; P40-W79 HydrophobicContact CG-CZ3 4.48Å
41	G	85.6	Confident	82.2	Confident	7 Å²	7	76.6 Å²	76.6	7%	0.072	38%	0.379	C	S	.	.	S	Bend	trans	147.3	167.1	173.6	0	0	0	0	0	114.9	R37 G39 H43 Y44	R37-G41 WeakPolarHBondContact CD-O 3.28Å; G39-G41 PolarHBondContact O-N 2.84Å; G41-H43 PolarHBondContact O-N 2.9Å; G41-Y44 PolarHBondContact O-N 2.83Å
42	D	83.9	Confident	83.1	Confident	101 Å²	101	70.2 Å²	70.2	54%	0.54	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.9	-171.8	-72.7	-42.8	0	0	0	115.2	R37 Y44 Y67	R37-D42 VanDerWaalsContact CZ-CA 3.5Å; R37-D42 IonicContact CZ-OD1 2.77Å; R37-D42 IonicContact NE-OD1 3.97Å; R37-D42 PolarHBondContact NH1-O 2.74Å; R37-D42 IonicContact NH2-OD1 2.82Å; R37-D42 PolarHBondContact NH2-OD1 3.24Å; D42-Y44 VanDerWaalsContact C-N 3.32Å; D42-Y67 PolarHBondContact OD1-OH 3.05Å
43	H	86.1	Confident	83.9	Confident	191 Å²	191	63 Å²	63	88%	0.884	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.7	-179.7	-48.6	-56.5	0	0	0	113.3	G41	G41-H43 PolarHBondContact O-N 2.9Å
44	Y	87.4	Confident	84.6	Confident	109 Å²	109	60.6 Å²	60.6	43%	0.427	30%	0.304	S	S	.	.	S	Bend	trans	-81.6	146	178.7	-71.3	-83.4	0	0	0	112.1	R37 G39 P40 G41 D42	R37-Y44 PolarHBondContact NH1-O 3.42Å; G39-Y44 WeakPolarHBondContact O-CD2 3.43Å; P40-Y44 HydrophobicContact CG-CE2 4.21Å; G41-Y44 PolarHBondContact O-N 2.83Å; D42-Y44 VanDerWaalsContact C-N 3.32Å
45	R	87.4	Confident	85.2	Confident	192 Å²	192	65.2 Å²	65.2	73%	0.725	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-61	137	-179.9	-168.1	-177.4	74.9	163.4	0.4	110.4	R37 S38 V47	R37-R45 WeakPolarHBondContact CA-O 3.44Å; S38-R45 PolarHBondContact N-O 3.19Å; R45-V47 PolarHBondContact O-N 3.41Å
46	L	86.6	Confident	85.4	Confident	77 Å²	77	58.1 Å²	58.1	40%	0.403	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	126.5	167.7	-59	-179.5	0	0	0	109.2	W35 V36 R37	W35-L46 HydrophobicContact CB-CD1 4.18Å; W35-L46 HydrophobicContact CB-CD2 3.71Å; W35-L46 HydrophobicContact CB-CG 4.45Å; W35-L46 HydrophobicContact CD2-CD1 3.95Å; W35-L46 HydrophobicContact CE3-CB 4.28Å; W35-L46 HydrophobicContact CE3-CD1 3.83Å; W35-L46 HydrophobicContact CG-CD1 4.12Å; V36-L46 WeakPolarHBondContact O-CA 3.38Å; R37-L46 HydrophobicContact CG-CD2 3.89Å
47	V	86.3	Confident	85.5	Confident	67 Å²	67	59.2 Å²	59.2	41%	0.406	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-8.4	-178.1	-76.7	0	0	0	0	113.2	V36 R37 R45 A78	V36-V47 HydrophobicContact CG2-CG2 4.17Å; V36-V47 WeakPolarHBondContact O-CG2 3.48Å; V36-V47 PolarHBondContact O-N 3.35Å; R37-V47 VanDerWaalsContact C-CG2 3.47Å; R45-V47 PolarHBondContact O-N 3.41Å; V47-A78 HydrophobicContact CG2-CB 4.08Å
48	G	85.6	Confident	85.5	Confident	19 Å²	19	58 Å²	58	20%	0.196	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.8	-161.9	175.8	0	0	0	0	0	112.1	W35 V36	W35-G48 WeakPolarHBondContact CA-O 3.22Å; V36-G48 WeakPolarHBondContact CG2-O 3.49Å; V36-G48 PolarHBondContact N-O 3.18Å
49	T	85.4	Confident	85.5	Confident	50 Å²	50	57.3 Å²	57.3	31%	0.307	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.6	177	55.4	0	0	0	0	110.2	T34 W35	T34-T49 CarbonylContact O-C 3.59Å; T34-T49 VanDerWaalsContact O-CA 3.25Å; T34-T49 WeakPolarHBondContact O-CA 3.34Å; W35-T49 HydrophobicContact CD2-CG2 3.78Å; W35-T49 HydrophobicContact CE3-CG2 3.57Å; W35-T49 HydrophobicContact CG-CG2 4.44Å; W35-T49 HydrophobicContact CH2-CG2 4.13Å; W35-T49 HydrophobicContact CZ2-CG2 4.3Å; W35-T49 HydrophobicContact CZ3-CG2 3.76Å
50	V	82.6	Confident	85.5	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.1	168.8	-178.2	0	0	0	0	108	V28 T34 V36 E54 V56	V28-V50 HydrophobicContact CG2-CB 4.45Å; V28-V50 HydrophobicContact CG2-CG1 3.66Å; T34-V50 PolarHBondContact N-O 3.06Å; T34-V50 PolarHBondContact O-N 3.1Å; V36-V50 HydrophobicContact CB-CG2 4.49Å; V36-V50 HydrophobicContact CG1-CB 4.28Å; V36-V50 HydrophobicContact CG1-CG2 3.45Å; V36-V50 VanDerWaalsContact CG1-CG2 3.45Å; V36-V50 HydrophobicContact CG2-CG2 4.25Å; V50-E54 HydrophobicContact CG1-CB 3.92Å; V50-E54 HydrophobicContact CG1-CG 4.29Å; V50-E54 WeakPolarHBondContact CG1-OE2 3.28Å; V50-V56 HydrophobicContact CG1-CG1 4.2Å
51	N	83	Confident	85.4	Confident	85 Å²	85	64.1 Å²	64.1	46%	0.455	33%	0.327	S	S	.	.			trans	-73.4	146.8	-174.7	-61.9	-64.2	0	0	0	110.8	G53 E54	N51-G53 PolarHBondContact O-N 3.2Å; N51-E54 HydrophobicContact CB-CB 4.44Å; N51-E54 PolarHBondContact N-OE2 2.79Å; N51-E54 PolarHBondContact ND2-OE2 3.49Å; N51-E54 VanDerWaalsContact O-CB 3.3Å; N51-E54 WeakPolarHBondContact O-CB 3.21Å; N51-E54 PolarHBondContact O-N 2.75Å
52	A	79.8	Confident	85.4	Confident	20 Å²	20	65.5 Å²	65.5	17%	0.165	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	131.1	172.1	0	0	0	0	0	110.4	E31 E54	E31-A52 VanDerWaalsContact O-CB 3.26Å; E31-A52 WeakPolarHBondContact O-CB 3.32Å; A52-E54 VanDerWaalsContact C-N 3.33Å
53	G	78.8	Confident	85.2	Confident	14 Å²	14	64.6 Å²	64.6	14%	0.144	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	3.7	-179.1	0	0	0	0	0	116.2	V28 N51	V28-G53 WeakPolarHBondContact O-CA 3.25Å; V28-G53 PolarHBondContact O-N 3.25Å; N51-G53 PolarHBondContact O-N 3.2Å
54	E	83.2	Confident	85.1	Confident	29 Å²	29	62.8 Å²	62.8	14%	0.136	34%	0.336	C	S	.	.			trans	-68.3	137.8	178.5	-167.3	170.2	165.5	0	0	111.5	Y27 V28 V50 N51 A52 S73	Y27-E54 WeakPolarHBondContact CA-O 3.39Å; V28-E54 PolarHBondContact N-O 3.49Å; V50-E54 HydrophobicContact CG1-CB 3.92Å; V50-E54 HydrophobicContact CG1-CG 4.29Å; V50-E54 WeakPolarHBondContact CG1-OE2 3.28Å; N51-E54 HydrophobicContact CB-CB 4.44Å; N51-E54 PolarHBondContact N-OE2 2.79Å; N51-E54 PolarHBondContact ND2-OE2 3.49Å; N51-E54 VanDerWaalsContact O-CB 3.3Å; N51-E54 WeakPolarHBondContact O-CB 3.21Å; N51-E54 PolarHBondContact O-N 2.75Å; A52-E54 VanDerWaalsContact C-N 3.33Å; E54-S73 PolarHBondContact OE1-OG 3.14Å
55	E	86.7	Confident	85	Confident	110 Å²	110	60 Å²	60	51%	0.514	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.8	172.9	-172.5	-176.5	159.9	0	0	109.7	T25 Y27	T25-E55 HydrophobicContact CG2-CG 3.46Å; T25-E55 VanDerWaalsContact CG2-CG 3.46Å; T25-E55 WeakPolarHBondContact CG2-OE1 3.38Å; Y27-E55 HydrophobicContact CD1-CB 4.19Å; Y27-E55 HydrophobicContact CD1-CG 4.44Å; Y27-E55 HydrophobicContact CE1-CB 4.04Å; Y27-E55 HydrophobicContact CE1-CG 4.02Å
56	V	86.8	Confident	85	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.8	-179.6	-61	0	0	0	0	111	R26 V28 V50 V70 K71 L85	R26-V56 HydrophobicContact CB-CG2 4.3Å; R26-V56 PolarHBondContact N-O 2.89Å; R26-V56 PolarHBondContact O-N 3.49Å; R26-V56 VanDerWaalsContact O-O 3.06Å; V28-V56 HydrophobicContact CG2-CG1 4.02Å; V28-V56 HydrophobicContact CG2-CG2 4.34Å; V50-V56 HydrophobicContact CG1-CG1 4.2Å; V56-V70 HydrophobicContact CB-CB 4.03Å; V56-V70 HydrophobicContact CB-CG2 4.4Å; V56-V70 HydrophobicContact CG2-CB 4.03Å; V56-V70 HydrophobicContact CG2-CG1 3.96Å; V56-V70 HydrophobicContact CG2-CG2 4.45Å; V56-K71 WeakPolarHBondContact CA-O 3.26Å; V56-L85 HydrophobicContact CG2-CD2 3.6Å
57	T	89.1	Confident	85.2	Confident	30 Å²	30	53 Å²	53	18%	0.184	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122	175.7	-47.4	0	0	0	0	109.8	E23 L59 V70 K71	E23-T57 HydrophobicContact CB-CG2 3.64Å; E23-T57 HydrophobicContact CG-CG2 3.92Å; T57-L59 PolarHBondContact O-N 3.29Å; T57-V70 CarbonylContact O-C 3.51Å; T57-V70 VanDerWaalsContact O-CA 3.25Å; T57-V70 WeakPolarHBondContact O-CA 3.47Å; T57-K71 PolarHBondContact N-O 2.79Å; T57-K71 PolarHBondContact O-N 3.21Å
58	L	87.8	Confident	85.3	Confident	19 Å²	19	49.8 Å²	49.8	10%	0.099	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.9	174.3	-177	65.5	0	0	0	110.1	E24 R26 T61 A68 V70 L85	E24-L58 HydrophobicContact CB-CB 4.35Å; E24-L58 VanDerWaalsContact O-CB 3.31Å; E24-L58 WeakPolarHBondContact O-CB 3.49Å; E24-L58 PolarHBondContact O-N 3.45Å; R26-L58 HydrophobicContact CG-CB 4.13Å; R26-L58 HydrophobicContact CG-CD2 4.45Å; L58-T61 HydrophobicContact CD1-CG2 3.9Å; L58-T61 HydrophobicContact CD2-CG2 4.02Å; L58-T61 HydrophobicContact CG-CG2 4.37Å; L58-A68 HydrophobicContact CD1-CB 3.53Å; L58-V70 HydrophobicContact CD1-CG1 4.25Å; L58-L85 HydrophobicContact CD1-CD1 4.33Å
59	L	87.6	Confident	85.6	Confident	50 Å²	50	50.8 Å²	50.8	26%	0.262	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-47.3	179.9	-60.2	179.4	0	0	0	112.1	T57 Q69 K71 T77	T57-L59 PolarHBondContact O-N 3.29Å; L59-Q69 HydrophobicContact CB-CB 4.47Å; L59-Q69 HydrophobicContact CD1-CG 4.37Å; L59-Q69 PolarHBondContact N-O 3.49Å; L59-K71 HydrophobicContact CD1-CB 4.22Å; L59-K71 HydrophobicContact CD2-CB 4.47Å; L59-K71 HydrophobicContact CG-CB 4.4Å; L59-T77 HydrophobicContact CD1-CG2 3.69Å
60	Q	87.3	Confident	85.8	Confident	91 Å²	91	48.6 Å²	48.6	43%	0.425	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	161.8	177.2	57.9	176	-6.1	0	0	111	A68 Q69 W79	Q60-A68 CarbonylContact O-C 3.59Å; Q60-A68 WeakPolarHBondContact O-CA 3.38Å; Q60-Q69 HydrophobicContact CG-CB 3.61Å; Q60-Q69 PolarHBondContact O-N 3.46Å; Q60-W79 HydrophobicContact CG-CH2 3.94Å; Q60-W79 HydrophobicContact CG-CZ2 4.38Å; Q60-W79 VanDerWaalsContact NE2-CZ2 3.29Å
61	T	86.8	Confident	86.2	Confident	82 Å²	82	52 Å²	52	50%	0.503	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139	175.7	54.8	0	0	0	0	109.6	L58 A68 L82	L58-T61 HydrophobicContact CD1-CG2 3.9Å; L58-T61 HydrophobicContact CD2-CG2 4.02Å; L58-T61 HydrophobicContact CG-CG2 4.37Å; T61-A68 HydrophobicContact CG2-CB 4.24Å; T61-L82 HydrophobicContact CG2-CD2 4.06Å
62	D	85.3	Confident	86.3	Confident	36 Å²	36	48.5 Å²	48.5	19%	0.193	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	103.2	170.3	-179.6	3.9	0	0	0	108.9	P40 N64 T65 N66 Y67 W79	P40-D62 HydrophobicContact CB-CB 4.04Å; P40-D62 WeakPolarHBondContact CB-OD2 3.47Å; D62-N64 PolarHBondContact O-N 3.13Å; D62-N64 WeakPolarHBondContact OD1-CB 3.24Å; D62-N64 PolarHBondContact OD1-N 2.89Å; D62-T65 WeakPolarHBondContact CB-OG1 3.44Å; D62-T65 PolarHBondContact O-N 2.8Å; D62-T65 WeakPolarHBondContact OD2-CG2 3.26Å; D62-T65 PolarHBondContact OD2-OG1 3.38Å; D62-N66 PolarHBondContact O-N 3.37Å; D62-Y67 PolarHBondContact N-O 3.4Å; D62-Y67 PolarHBondContact O-N 3.01Å; D62-W79 HydrophobicContact CB-CH2 4.26Å; D62-W79 HydrophobicContact CB-CZ3 3.9Å
63	A	80.5	Confident	86.4	Confident	83 Å²	83	52.4 Å²	52.4	69%	0.686	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-22.8	-179.7	0	0	0	0	0	113
64	N	83	Confident	86.6	Confident	153 Å²	153	55.4 Å²	55.4	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-31.5	-178.5	-66.6	-33.7	0	0	0	112.1	D62	D62-N64 PolarHBondContact O-N 3.13Å; D62-N64 WeakPolarHBondContact OD1-CB 3.24Å; D62-N64 PolarHBondContact OD1-N 2.89Å
65	T	85.2	Confident	86.6	Confident	51 Å²	51	56.2 Å²	56.2	31%	0.313	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-9.2	-174.2	60.3	0	0	0	0	112.8	P40 D62 Y67	P40-T65 WeakPolarHBondContact O-CB 3.4Å; P40-T65 VanDerWaalsContact O-CG2 3.3Å; P40-T65 WeakPolarHBondContact O-CG2 3.49Å; P40-T65 PolarHBondContact O-OG1 3.33Å; D62-T65 WeakPolarHBondContact CB-OG1 3.44Å; D62-T65 PolarHBondContact O-N 2.8Å; D62-T65 WeakPolarHBondContact OD2-CG2 3.26Å; D62-T65 PolarHBondContact OD2-OG1 3.38Å; T65-Y67 VanDerWaalsContact C-N 3.29Å; T65-Y67 VanDerWaalsContact O-CD2 3.29Å; T65-Y67 WeakPolarHBondContact O-CD2 3.27Å
66	N	88.3	Confident	86.6	Confident	107 Å²	107	57.2 Å²	57.2	57%	0.572	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	36.5	-172.4	-67.7	-52.4	0	0	0	113.2	D62 L82	D62-N66 PolarHBondContact O-N 3.37Å; N66-L82 PolarHBondContact O-N 2.74Å
67	Y	90.2	Very high	86.8	Confident	13 Å²	13	61 Å²	61	5%	0.051	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.3	175.1	-85.6	-100.9	0	0	0	111.2	R37 D42 D62 T65 W79 I80 P81	R37-Y67 HydrophobicContact CG-CE1 4.36Å; R37-Y67 PolarHBondContact NE-OH 2.92Å; D42-Y67 PolarHBondContact OD1-OH 3.05Å; D62-Y67 PolarHBondContact N-O 3.4Å; D62-Y67 PolarHBondContact O-N 3.01Å; T65-Y67 VanDerWaalsContact C-N 3.29Å; T65-Y67 VanDerWaalsContact O-CD2 3.29Å; T65-Y67 WeakPolarHBondContact O-CD2 3.27Å; Y67-W79 HydrophobicContact CD1-CB 4.12Å; Y67-I80 WeakPolarHBondContact CA-O 3.44Å; Y67-I80 VanDerWaalsContact CD1-C 3.44Å; Y67-P81 HydrophobicContact CD1-CG 4.39Å; Y67-P81 HydrophobicContact CE1-CG 3.71Å
68	A	88.6	Confident	86.8	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.9	174.6	0	0	0	0	0	109.5	L58 Q60 T61 V70 W79 I80 L82 L85	L58-A68 HydrophobicContact CD1-CB 3.53Å; Q60-A68 CarbonylContact O-C 3.59Å; Q60-A68 WeakPolarHBondContact O-CA 3.38Å; T61-A68 HydrophobicContact CG2-CB 4.24Å; A68-V70 HydrophobicContact CB-CG1 4.42Å; A68-W79 VanDerWaalsContact C-CE3 3.42Å; A68-W79 CarbonylContact O-C 3.59Å; A68-W79 VanDerWaalsContact O-CA 3.32Å; A68-W79 WeakPolarHBondContact O-CA 3.25Å; A68-I80 HydrophobicContact CB-CG2 4.35Å; A68-I80 PolarHBondContact N-O 2.94Å; A68-I80 PolarHBondContact O-N 3.3Å; A68-L82 HydrophobicContact CB-CD2 4.18Å; A68-L82 HydrophobicContact CB-CG 4.05Å; A68-L85 HydrophobicContact CB-CD1 3.55Å
69	Q	91.6	Very high	87	Confident	40 Å²	40	60.3 Å²	60.3	19%	0.187	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.6	168.4	-165.5	-179	22.4	0	0	108.4	L59 Q60 A78 W79	L59-Q69 HydrophobicContact CB-CB 4.47Å; L59-Q69 HydrophobicContact CD1-CG 4.37Å; L59-Q69 PolarHBondContact N-O 3.49Å; Q60-Q69 HydrophobicContact CG-CB 3.61Å; Q60-Q69 PolarHBondContact O-N 3.46Å; Q69-A78 WeakPolarHBondContact CA-O 3.48Å; Q69-W79 HydrophobicContact CB-CD2 3.85Å; Q69-W79 HydrophobicContact CB-CE3 3.94Å; Q69-W79 HydrophobicContact CB-CH2 4.05Å; Q69-W79 HydrophobicContact CB-CZ2 3.91Å; Q69-W79 HydrophobicContact CB-CZ3 4.05Å; Q69-W79 HydrophobicContact CG-CD2 4.28Å; Q69-W79 HydrophobicContact CG-CZ2 4.36Å
70	V	89.8	Confident	87	Confident	4 Å²	4	58 Å²	58	2%	0.024	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.8	-178.5	-62	0	0	0	0	111	V56 T57 L58 A68 T77 A78 I80 L85	V56-V70 HydrophobicContact CB-CB 4.03Å; V56-V70 HydrophobicContact CB-CG2 4.4Å; V56-V70 HydrophobicContact CG2-CB 4.03Å; V56-V70 HydrophobicContact CG2-CG1 3.96Å; V56-V70 HydrophobicContact CG2-CG2 4.45Å; T57-V70 CarbonylContact O-C 3.51Å; T57-V70 VanDerWaalsContact O-CA 3.25Å; T57-V70 WeakPolarHBondContact O-CA 3.47Å; L58-V70 HydrophobicContact CD1-CG1 4.25Å; A68-V70 HydrophobicContact CB-CG1 4.42Å; V70-T77 WeakPolarHBondContact O-CA 3.49Å; V70-A78 PolarHBondContact N-O 3.36Å; V70-A78 PolarHBondContact O-N 2.84Å; V70-I80 HydrophobicContact CB-CG2 4.42Å; V70-I80 HydrophobicContact CG1-CG2 3.72Å; V70-I80 HydrophobicContact CG2-CB 4.43Å; V70-I80 HydrophobicContact CG2-CG2 3.78Å; V70-L85 HydrophobicContact CG1-CD1 3.83Å; V70-L85 HydrophobicContact CG1-CD2 4.22Å
71	K	90.5	Very high	87	Confident	75 Å²	75	54.4 Å²	54.4	33%	0.326	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.7	168.6	-162.3	177.6	85.2	-165.3	0	108.5	V56 T57 L59 R76 T77	V56-K71 WeakPolarHBondContact CA-O 3.26Å; T57-K71 PolarHBondContact N-O 2.79Å; T57-K71 PolarHBondContact O-N 3.21Å; L59-K71 HydrophobicContact CD1-CB 4.22Å; L59-K71 HydrophobicContact CD2-CB 4.47Å; L59-K71 HydrophobicContact CG-CB 4.4Å; K71-R76 WeakPolarHBondContact CA-O 3.39Å; K71-T77 HydrophobicContact CB-CG2 4.38Å; K71-T77 HydrophobicContact CG-CG2 4.15Å
72	D	85.1	Confident	87	Confident	11 Å²	11	53.3 Å²	53.3	6%	0.059	31%	0.311	C	S	.	.			trans	-80.5	174.5	176.1	72.6	15.3	0	0	0	112.4	S74 G75 R76	D72-S74 PolarHBondContact O-N 2.89Å; D72-S74 WeakPolarHBondContact OD1-CA 3.46Å; D72-S74 WeakPolarHBondContact OD1-CB 3.48Å; D72-S74 PolarHBondContact OD1-N 2.96Å; D72-S74 PolarHBondContact OD1-OG 2.97Å; D72-S74 PolarHBondContact OD2-OG 3.27Å; D72-G75 PolarHBondContact O-N 3.48Å; D72-G75 PolarHBondContact OD1-N 3.14Å; D72-R76 PolarHBondContact N-O 2.98Å; D72-R76 PolarHBondContact OD1-N 3.45Å; D72-R76 IonicContact OD1-NE 3.81Å; D72-R76 IonicContact OD2-CZ 3.09Å; D72-R76 VanDerWaalsContact OD2-CZ 3.23Å; D72-R76 IonicContact OD2-NE 2.72Å; D72-R76 PolarHBondContact OD2-NE 3.32Å; D72-R76 IonicContact OD2-NH2 2.71Å; D72-R76 PolarHBondContact OD2-NH2 3.04Å
73	S	83.3	Confident	87	Confident	103 Å²	103	60.2 Å²	60.2	72%	0.72	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.9	178.5	61.1	0	0	0	0	113.8	E54 G75	E54-S73 PolarHBondContact OE1-OG 3.14Å; S73-G75 VanDerWaalsContact C-N 3.33Å
74	S	82.8	Confident	87.2	Confident	77 Å²	77	58.3 Å²	58.3	54%	0.538	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0.8	176.2	70.5	0	0	0	0	113.8	D72 R76	D72-S74 PolarHBondContact O-N 2.89Å; D72-S74 WeakPolarHBondContact OD1-CA 3.46Å; D72-S74 WeakPolarHBondContact OD1-CB 3.48Å; D72-S74 PolarHBondContact OD1-N 2.96Å; D72-S74 PolarHBondContact OD1-OG 2.97Å; D72-S74 PolarHBondContact OD2-OG 3.27Å; S74-R76 VanDerWaalsContact C-N 3.3Å; S74-R76 WeakPolarHBondContact OG-CG 3.36Å; S74-R76 PolarHBondContact OG-NE 2.73Å
75	G	83.4	Confident	87.2	Confident	46 Å²	46	52.1 Å²	52.1	47%	0.474	28%	0.283	S	S	.	.	S	Bend	trans	80.1	6.3	-179	0	0	0	0	0	114.3	D72 S73	D72-G75 PolarHBondContact O-N 3.48Å; D72-G75 PolarHBondContact OD1-N 3.14Å; S73-G75 VanDerWaalsContact C-N 3.33Å
76	R	85.9	Confident	87	Confident	131 Å²	131	51.7 Å²	51.7	49%	0.494	28%	0.282	S	S	.	.			trans	-76.5	135.1	176.2	-59.8	177	-56.6	178.8	3.5	109.1	K71 D72 S74	K71-R76 WeakPolarHBondContact CA-O 3.39Å; D72-R76 PolarHBondContact N-O 2.98Å; D72-R76 PolarHBondContact OD1-N 3.45Å; D72-R76 IonicContact OD1-NE 3.81Å; D72-R76 IonicContact OD2-CZ 3.09Å; D72-R76 VanDerWaalsContact OD2-CZ 3.23Å; D72-R76 IonicContact OD2-NE 2.72Å; D72-R76 PolarHBondContact OD2-NE 3.32Å; D72-R76 IonicContact OD2-NH2 2.71Å; D72-R76 PolarHBondContact OD2-NH2 3.04Å; S74-R76 VanDerWaalsContact C-N 3.3Å; S74-R76 WeakPolarHBondContact OG-CG 3.36Å; S74-R76 PolarHBondContact OG-NE 2.73Å
77	T	90.6	Very high	86.7	Confident	78 Å²	78	50.9 Å²	50.9	48%	0.479	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.5	174.3	55.8	0	0	0	0	110.1	L59 V70 K71	L59-T77 HydrophobicContact CD1-CG2 3.69Å; V70-T77 WeakPolarHBondContact O-CA 3.49Å; K71-T77 HydrophobicContact CB-CG2 4.38Å; K71-T77 HydrophobicContact CG-CG2 4.15Å
78	A	90.3	Very high	86	Confident	10 Å²	10	55.9 Å²	55.9	8%	0.083	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	166	179.3	0	0	0	0	0	111.1	V36 V47 Q69 V70	V36-A78 HydrophobicContact CB-CB 3.56Å; V36-A78 HydrophobicContact CG1-CB 4.25Å; V36-A78 HydrophobicContact CG2-CB 3.68Å; V47-A78 HydrophobicContact CG2-CB 4.08Å; Q69-A78 WeakPolarHBondContact CA-O 3.48Å; V70-A78 PolarHBondContact N-O 3.36Å; V70-A78 PolarHBondContact O-N 2.84Å
79	W	91.2	Very high	85.4	Confident	26 Å²	26	58.4 Å²	58.4	10%	0.098	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.9	-179.2	-68.6	83.1	0	0	0	111.4	V36 R37 G39 P40 Q60 D62 Y67 A68 Q69	V36-W79 WeakPolarHBondContact CA-O 3.18Å; R37-W79 HydrophobicContact CB-CB 4.41Å; R37-W79 PolarHBondContact N-O 2.71Å; R37-W79 PolarHBondContact O-N 3.42Å; G39-W79 VanDerWaalsContact C-CG 3.45Å; G39-W79 WeakPolarHBondContact O-CB 3.34Å; P40-W79 HydrophobicContact CB-CD2 3.9Å; P40-W79 HydrophobicContact CB-CE3 3.65Å; P40-W79 HydrophobicContact CB-CH2 3.87Å; P40-W79 HydrophobicContact CB-CZ2 4.14Å; P40-W79 HydrophobicContact CB-CZ3 3.64Å; P40-W79 HydrophobicContact CG-CH2 4.24Å; P40-W79 HydrophobicContact CG-CZ2 4.17Å; P40-W79 HydrophobicContact CG-CZ3 4.48Å; Q60-W79 HydrophobicContact CG-CH2 3.94Å; Q60-W79 HydrophobicContact CG-CZ2 4.38Å; Q60-W79 VanDerWaalsContact NE2-CZ2 3.29Å; D62-W79 HydrophobicContact CB-CH2 4.26Å; D62-W79 HydrophobicContact CB-CZ3 3.9Å; Y67-W79 HydrophobicContact CD1-CB 4.12Å; A68-W79 VanDerWaalsContact C-CE3 3.42Å; A68-W79 CarbonylContact O-C 3.59Å; A68-W79 VanDerWaalsContact O-CA 3.32Å; A68-W79 WeakPolarHBondContact O-CA 3.25Å; Q69-W79 HydrophobicContact CB-CD2 3.85Å; Q69-W79 HydrophobicContact CB-CE3 3.94Å; Q69-W79 HydrophobicContact CB-CH2 4.05Å; Q69-W79 HydrophobicContact CB-CZ2 3.91Å; Q69-W79 HydrophobicContact CB-CZ3 4.05Å; Q69-W79 HydrophobicContact CG-CD2 4.28Å; Q69-W79 HydrophobicContact CG-CZ2 4.36Å
80	I	88.6	Confident	84.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.6	179.7	-171.8	178.6	0	0	0	109.7	V28 T34 V36 Y67 A68 V70 L82 Q84 L85	V28-I80 HydrophobicContact CG1-CD1 4.21Å; V28-I80 HydrophobicContact CG2-CD1 4.04Å; T34-I80 HydrophobicContact CG2-CD1 3.44Å; T34-I80 VanDerWaalsContact CG2-CD1 3.44Å; T34-I80 HydrophobicContact CG2-CG1 3.9Å; V36-I80 HydrophobicContact CG1-CB 4.38Å; Y67-I80 WeakPolarHBondContact CA-O 3.44Å; Y67-I80 VanDerWaalsContact CD1-C 3.44Å; A68-I80 HydrophobicContact CB-CG2 4.35Å; A68-I80 PolarHBondContact N-O 2.94Å; A68-I80 PolarHBondContact O-N 3.3Å; V70-I80 HydrophobicContact CB-CG2 4.42Å; V70-I80 HydrophobicContact CG1-CG2 3.72Å; V70-I80 HydrophobicContact CG2-CB 4.43Å; V70-I80 HydrophobicContact CG2-CG2 3.78Å; I80-L82 PolarHBondContact O-N 2.86Å; I80-Q84 HydrophobicContact CD1-CB 4.01Å; I80-Q84 HydrophobicContact CG1-CB 4.17Å; I80-L85 HydrophobicContact CD1-CD2 4.23Å; I80-L85 HydrophobicContact CG2-CD1 3.8Å; I80-L85 HydrophobicContact CG2-CD2 4.11Å; I80-L85 HydrophobicContact CG2-CG 3.96Å
81	P	87.2	Confident	83.6	Confident	16 Å²	16	62 Å²	62	10%	0.104	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	132.2	171.4	-24.9	32.5	0	0	0	112.3	Y67 K83 Q84	Y67-P81 HydrophobicContact CD1-CG 4.39Å; Y67-P81 HydrophobicContact CE1-CG 3.71Å; P81-K83 HydrophobicContact CB-CG 4.01Å; P81-K83 PolarHBondContact O-N 3.09Å; P81-K83 VanDerWaalsContact O-N 3.13Å; P81-Q84 HydrophobicContact CB-CG 4.4Å; P81-Q84 WeakPolarHBondContact O-CB 3.31Å; P81-Q84 PolarHBondContact O-N 2.95Å
82	L	85.3	Confident	82.7	Confident	59 Å²	59	68 Å²	68	31%	0.309	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-55.1	-34.1	179.9	-95.2	154.3	0	0	0	113.2	T61 N66 A68 I80 Q84 L85	T61-L82 HydrophobicContact CG2-CD2 4.06Å; N66-L82 PolarHBondContact O-N 2.74Å; A68-L82 HydrophobicContact CB-CD2 4.18Å; A68-L82 HydrophobicContact CB-CG 4.05Å; I80-L82 PolarHBondContact O-N 2.86Å; L82-Q84 PolarHBondContact O-N 3.04Å; L82-Q84 VanDerWaalsContact O-N 3.14Å; L82-L85 PolarHBondContact O-N 2.78Å; L82-L85 VanDerWaalsContact O-N 3.11Å
83	K	85.6	Confident	82	Confident	182 Å²	182	70.4 Å²	70.4	79%	0.791	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-63	-15.6	177.3	68.5	179.7	-178.8	176.4	0	114.6	P81	P81-K83 HydrophobicContact CB-CG 4.01Å; P81-K83 PolarHBondContact O-N 3.09Å; P81-K83 VanDerWaalsContact O-N 3.13Å
84	Q	84.7	Confident	81.7	Confident	43 Å²	43	71 Å²	71	20%	0.201	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-100.4	7.6	179.1	-65.8	176.6	-23.8	0	0	112.5	V28 S29 T34 I80 P81 L82	V28-Q84 CarbonylContact C-O 3.56Å; V28-Q84 WeakPolarHBondContact CA-O 3.44Å; S29-Q84 PolarHBondContact N-O 3.3Å; T34-Q84 PolarHBondContact OG1-NE2 3.27Å; T34-Q84 PolarHBondContact OG1-OE1 2.85Å; I80-Q84 HydrophobicContact CD1-CB 4.01Å; I80-Q84 HydrophobicContact CG1-CB 4.17Å; P81-Q84 HydrophobicContact CB-CG 4.4Å; P81-Q84 WeakPolarHBondContact O-CB 3.31Å; P81-Q84 PolarHBondContact O-N 2.95Å; L82-Q84 PolarHBondContact O-N 3.04Å; L82-Q84 VanDerWaalsContact O-N 3.14Å
85	L	83.4	Confident	81.6	Confident	23 Å²	23	70.5 Å²	70.5	12%	0.12	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.4	173.3	-68.4	173.2	0	0	0	110.3	R26 Y27 V28 V56 L58 A68 V70 I80 L82	R26-L85 HydrophobicContact CB-CB 4.39Å; R26-L85 HydrophobicContact CB-CD2 4.09Å; Y27-L85 CarbonylContact O-C 3.57Å; Y27-L85 WeakPolarHBondContact O-CA 3.41Å; V28-L85 HydrophobicContact CG2-CD2 4.48Å; V56-L85 HydrophobicContact CG2-CD2 3.6Å; L58-L85 HydrophobicContact CD1-CD1 4.33Å; A68-L85 HydrophobicContact CB-CD1 3.55Å; V70-L85 HydrophobicContact CG1-CD1 3.83Å; V70-L85 HydrophobicContact CG1-CD2 4.22Å; I80-L85 HydrophobicContact CD1-CD2 4.23Å; I80-L85 HydrophobicContact CG2-CD1 3.8Å; I80-L85 HydrophobicContact CG2-CD2 4.11Å; I80-L85 HydrophobicContact CG2-CG 3.96Å; L82-L85 PolarHBondContact O-N 2.78Å; L82-L85 VanDerWaalsContact O-N 3.11Å
86	S	81.8	Confident	81.6	Confident	41 Å²	41	71.3 Å²	71.3	29%	0.287	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149.7	176.6	-179.6	0	0	0	0	110.7	Y27 E88	Y27-S86 PolarHBondContact N-O 3.47Å; Y27-S86 PolarHBondContact O-N 3.03Å; S86-E88 PolarHBondContact OG-N 3.49Å; S86-E88 PolarHBondContact OG-O 3.34Å; S86-E88 VanDerWaalsContact OG-O 3.13Å
87	T	80.7	Confident	81.2	Confident	90 Å²	90	69.9 Å²	69.9	55%	0.552	36%	0.359	S	S	*	.	S	Bend	trans	-83.9	-16.7	165.6	47.5	0	0	0	0	112.7
88	E	76.5	Confident	80.7	Confident	118 Å²	118	70.1 Å²	70.1	55%	0.551	36%	0.357	S	S	*	.	S	Bend	trans	-96	139	-179.4	-64.4	-170.4	-174.1	0	0	111.3	Y27 S86	Y27-E88 WeakPolarHBondContact CD2-O 3.43Å; S86-E88 PolarHBondContact OG-N 3.49Å; S86-E88 PolarHBondContact OG-O 3.34Å; S86-E88 VanDerWaalsContact OG-O 3.13Å
89	P	74.6	Confident	80.5	Confident	54 Å²	54	75.7 Å²	75.7	35%	0.351	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-59.3	148.1	174.1	-21.4	31.5	0	0	0	112.8	Y27 S93	Y27-P89 HydrophobicContact CE1-CB 4.36Å; Y27-P89 HydrophobicContact CE2-CB 4.36Å; Y27-P89 HydrophobicContact CE2-CG 3.99Å; P89-S93 WeakPolarHBondContact CB-OG 3.48Å
90	S	71.2	Confident	80.3	Confident	12 Å²	12	79.1 Å²	79.1	8%	0.084	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-58.2	152.1	179.8	56.6	0	0	0	0	113.6	D30 R92 S93 R94	D30-S90 WeakPolarHBondContact OD1-CA 3.42Å; D30-S90 WeakPolarHBondContact OD1-CB 3.45Å; S90-R92 PolarHBondContact O-N 3.44Å; S90-R92 VanDerWaalsContact O-N 3.11Å; S90-S93 PolarHBondContact O-N 3.23Å; S90-S93 VanDerWaalsContact O-N 3.08Å; S90-S93 PolarHBondContact O-OG 3.13Å; S90-R94 PolarHBondContact O-N 3.22Å
91	L	71.9	Confident	80	Confident	107 Å²	107	84.6 Å²	84.6	56%	0.56	43%	0.427	S	S	*	.	H	α-helix	trans	-55.8	-30.3	172	-75.9	168.7	0	0	0	112	D30 S93 R94 V95	D30-L91 PolarHBondContact OD2-N 3.08Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.97Å; L91-R94 PolarHBondContact O-N 3.11Å; L91-V95 WeakPolarHBondContact O-CG2 2.99Å; L91-V95 PolarHBondContact O-N 3.49Å
92	R	71.9	Confident	79.9	Confident	202 Å²	202	88.2 Å²	88.2	76%	0.762	45%	0.449	S	S	*	.	H	α-helix	trans	-62	-32.9	178.8	-133.2	179.2	-166.6	160.5	2.9	113.3	S90 P96	S90-R92 PolarHBondContact O-N 3.44Å; S90-R92 VanDerWaalsContact O-N 3.11Å; R92-P96 WeakPolarHBondContact O-CD 3.5Å
93	S	72.1	Confident	80	Confident	60 Å²	60	91.6 Å²	91.6	42%	0.42	46%	0.461	S	S	.	.	H	α-helix	trans	-84.6	-30.8	174.8	66.4	0	0	0	0	112.5	P89 S90 L91	P89-S93 WeakPolarHBondContact CB-OG 3.48Å; S90-S93 PolarHBondContact O-N 3.23Å; S90-S93 VanDerWaalsContact O-N 3.08Å; S90-S93 PolarHBondContact O-OG 3.13Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.97Å
94	R	76.5	Confident	80	Confident	116 Å²	116	86.3 Å²	86.3	44%	0.438	44%	0.444	S	S	.	.	H	α-helix	trans	-77.6	-31	-178.8	-66.6	179.2	62.9	-179.4	-0.2	114.3	S90 L91 D97 L98	S90-R94 PolarHBondContact O-N 3.22Å; L91-R94 PolarHBondContact O-N 3.11Å; R94-D97 PolarHBondContact O-N 2.83Å; R94-L98 WeakPolarHBondContact O-CG 3.32Å; R94-L98 PolarHBondContact O-N 3.31Å
95	V	80	Confident	80	Confident	66 Å²	66	89.7 Å²	89.7	40%	0.4	46%	0.463	S	S	.	.	H	α-helix	trans	-60.5	-48.2	-176	165.3	0	0	0	0	112.9	L91 D97 L98 E99	L91-V95 WeakPolarHBondContact O-CG2 2.99Å; L91-V95 PolarHBondContact O-N 3.49Å; V95-D97 VanDerWaalsContact C-N 3.3Å; V95-D97 PolarHBondContact O-N 3.49Å; V95-L98 PolarHBondContact O-N 2.78Å; V95-E99 HydrophobicContact CG1-CG 4.35Å; V95-E99 WeakPolarHBondContact O-CG 3.43Å; V95-E99 PolarHBondContact O-N 2.73Å
96	P	83	Confident	80.1	Confident	63 Å²	63	92 Å²	92	41%	0.409	48%	0.478	S	S	.	.	H	α-helix	trans	-60.1	-37.5	177.7	-24.6	34.3	0	0	0	113.7	R92 E99 N100	R92-P96 WeakPolarHBondContact O-CD 3.5Å; P96-E99 PolarHBondContact O-N 3.03Å; P96-N100 WeakPolarHBondContact O-CB 3.45Å; P96-N100 PolarHBondContact O-N 3.41Å; P96-N100 PolarHBondContact O-ND2 2.75Å
97	D	77.9	Confident	80.3	Confident	101 Å²	101	93.9 Å²	93.9	54%	0.54	49%	0.485	S	S	.	.	H	α-helix	trans	-68.2	-41.3	177.4	-82.6	-3.3	0	0	0	111.8	R94 V95 N100 Q101	R94-D97 PolarHBondContact O-N 2.83Å; V95-D97 VanDerWaalsContact C-N 3.3Å; V95-D97 PolarHBondContact O-N 3.49Å; D97-N100 PolarHBondContact O-N 2.86Å; D97-Q101 WeakPolarHBondContact O-CG 3.38Å; D97-Q101 PolarHBondContact O-N 2.69Å
98	L	81.2	Confident	80.3	Confident	84 Å²	84	96.2 Å²	96.2	44%	0.44	49%	0.488	S	S	.	.	H	α-helix	trans	-64.4	-41.7	174.6	-72.8	168.4	0	0	0	111.5	R94 V95 N100 Q101 V102	R94-L98 WeakPolarHBondContact O-CG 3.32Å; R94-L98 PolarHBondContact O-N 3.31Å; V95-L98 PolarHBondContact O-N 2.78Å; L98-N100 PolarHBondContact O-N 2.94Å; L98-Q101 PolarHBondContact O-N 3.21Å; L98-V102 WeakPolarHBondContact O-CG2 3.41Å; L98-V102 PolarHBondContact O-N 2.85Å
99	E	85.3	Confident	80.5	Confident	127 Å²	127	96.5 Å²	96.5	59%	0.593	49%	0.492	S	S	*	.	H	α-helix	trans	-61.7	-42	175	-73.8	178.8	163.6	0	0	111.9	V95 P96 V102 K103	V95-E99 HydrophobicContact CG1-CG 4.35Å; V95-E99 WeakPolarHBondContact O-CG 3.43Å; V95-E99 PolarHBondContact O-N 2.73Å; P96-E99 PolarHBondContact O-N 3.03Å; E99-V102 PolarHBondContact O-N 2.88Å; E99-K103 WeakPolarHBondContact O-CB 3.49Å; E99-K103 PolarHBondContact O-N 3.38Å
100	N	85.8	Confident	80.9	Confident	97 Å²	97	98.4 Å²	98.4	52%	0.519	50%	0.503	S	S	.	.	H	α-helix	trans	-64.3	-39.2	175.2	-83.5	-30.5	0	0	0	112.7	P96 D97 L98 K103 T104	P96-N100 WeakPolarHBondContact O-CB 3.45Å; P96-N100 PolarHBondContact O-N 3.41Å; P96-N100 PolarHBondContact O-ND2 2.75Å; D97-N100 PolarHBondContact O-N 2.86Å; L98-N100 PolarHBondContact O-N 2.94Å; N100-K103 PolarHBondContact O-N 2.82Å; N100-T104 WeakPolarHBondContact O-CB 3.12Å; N100-T104 PolarHBondContact O-N 2.87Å; N100-T104 PolarHBondContact O-OG1 2.84Å
101	Q	83.3	Confident	81.4	Confident	115 Å²	115	101.7 Å²	101.7	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-44.7	175.7	-72.9	177.1	32.6	0	0	111.6	D97 L98 K103 T104 L105	D97-Q101 WeakPolarHBondContact O-CG 3.38Å; D97-Q101 PolarHBondContact O-N 2.69Å; L98-Q101 PolarHBondContact O-N 3.21Å; Q101-K103 VanDerWaalsContact C-N 3.34Å; Q101-K103 PolarHBondContact O-N 3.12Å; Q101-T104 PolarHBondContact O-N 2.83Å; Q101-L105 WeakPolarHBondContact O-CB 3.28Å; Q101-L105 WeakPolarHBondContact O-CG 3.44Å; Q101-L105 PolarHBondContact O-N 3.31Å
102	V	84.4	Confident	82	Confident	92 Å²	92	101 Å²	101	56%	0.558	52%	0.515	S	S	*	.	H	α-helix	trans	-61.5	-42.9	176.1	170.9	0	0	0	0	110.8	L98 E99 L105 T106	L98-V102 WeakPolarHBondContact O-CG2 3.41Å; L98-V102 PolarHBondContact O-N 2.85Å; E99-V102 PolarHBondContact O-N 2.88Å; V102-L105 PolarHBondContact O-N 3.38Å; V102-T106 WeakPolarHBondContact O-CB 3.01Å; V102-T106 PolarHBondContact O-N 2.85Å; V102-T106 PolarHBondContact O-OG1 3.11Å
103	K	88.3	Confident	82.4	Confident	130 Å²	130	96.6 Å²	96.6	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-60	-48.3	174.9	-174.4	-178.6	177.2	-174	0	111.7	E99 N100 Q101 L105 T106 D107	E99-K103 WeakPolarHBondContact O-CB 3.49Å; E99-K103 PolarHBondContact O-N 3.38Å; N100-K103 PolarHBondContact O-N 2.82Å; Q101-K103 VanDerWaalsContact C-N 3.34Å; Q101-K103 PolarHBondContact O-N 3.12Å; K103-L105 VanDerWaalsContact C-N 3.32Å; K103-L105 PolarHBondContact O-N 2.93Å; K103-T106 WeakPolarHBondContact O-CB 3.48Å; K103-T106 PolarHBondContact O-N 2.93Å; K103-T106 VanDerWaalsContact O-N 3.15Å; K103-D107 PolarHBondContact O-N 2.98Å
104	T	85.8	Confident	83	Confident	72 Å²	72	98.7 Å²	98.7	44%	0.442	51%	0.514	S	S	.	.	H	α-helix	trans	-60.7	-40.9	178.8	-56.8	0	0	0	0	112.2	N100 Q101 K108	N100-T104 WeakPolarHBondContact O-CB 3.12Å; N100-T104 PolarHBondContact O-N 2.87Å; N100-T104 PolarHBondContact O-OG1 2.84Å; Q101-T104 PolarHBondContact O-N 2.83Å; T104-K108 WeakPolarHBondContact O-CG 3.23Å; T104-K108 PolarHBondContact O-N 3.4Å; T104-K108 VanDerWaalsContact O-N 3.13Å
105	L	84.3	Confident	83.3	Confident	113 Å²	113	96.1 Å²	96.1	59%	0.592	51%	0.511	S	S	*	.	H	α-helix	trans	-68.3	-38.5	176.4	-72.6	168.9	0	0	0	111.7	Q101 V102 K103 K108 L109	Q101-L105 WeakPolarHBondContact O-CB 3.28Å; Q101-L105 WeakPolarHBondContact O-CG 3.44Å; Q101-L105 PolarHBondContact O-N 3.31Å; V102-L105 PolarHBondContact O-N 3.38Å; K103-L105 VanDerWaalsContact C-N 3.32Å; K103-L105 PolarHBondContact O-N 2.93Å; L105-K108 PolarHBondContact O-N 2.77Å; L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 PolarHBondContact O-N 2.75Å
106	T	85.6	Confident	83.4	Confident	72 Å²	72	100.9 Å²	100.9	44%	0.442	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-43.2	176.5	-54.8	0	0	0	0	111.3	V102 K103 K108 L109 T110	V102-T106 WeakPolarHBondContact O-CB 3.01Å; V102-T106 PolarHBondContact O-N 2.85Å; V102-T106 PolarHBondContact O-OG1 3.11Å; K103-T106 WeakPolarHBondContact O-CB 3.48Å; K103-T106 PolarHBondContact O-N 2.93Å; K103-T106 VanDerWaalsContact O-N 3.15Å; T106-K108 VanDerWaalsContact C-N 3.32Å; T106-K108 PolarHBondContact O-N 3.14Å; T106-L109 PolarHBondContact O-N 3.02Å; T106-T110 PolarHBondContact O-N 2.85Å; T106-T110 PolarHBondContact O-OG1 3.2Å
107	D	85.2	Confident	83.5	Confident	80 Å²	80	102 Å²	102	43%	0.428	52%	0.524	S	S	.	.	H	α-helix	trans	-66	-32.7	177.2	-69.8	-19.3	0	0	0	112.6	K103 T110 N111	K103-D107 PolarHBondContact O-N 2.98Å; D107-T110 WeakPolarHBondContact CA-OG1 3.45Å; D107-T110 PolarHBondContact O-OG1 3.43Å; D107-T110 VanDerWaalsContact O-OG1 3.12Å; D107-N111 PolarHBondContact O-N 3.23Å; D107-N111 PolarHBondContact O-ND2 3.05Å
108	K	80.6	Confident	83.9	Confident	140 Å²	140	103 Å²	103	61%	0.609	53%	0.526	S	S	*	.	H	α-helix	trans	-71.5	-38.6	172.8	-76.6	178.1	179.4	179.3	0	112	T104 L105 T106 N111 I112	T104-K108 WeakPolarHBondContact O-CG 3.23Å; T104-K108 PolarHBondContact O-N 3.4Å; T104-K108 VanDerWaalsContact O-N 3.13Å; L105-K108 PolarHBondContact O-N 2.77Å; T106-K108 VanDerWaalsContact C-N 3.32Å; T106-K108 PolarHBondContact O-N 3.14Å; K108-N111 PolarHBondContact O-N 2.94Å; K108-I112 PolarHBondContact O-N 2.84Å
109	L	81.3	Confident	84.2	Confident	124 Å²	124	107.4 Å²	107.4	65%	0.649	54%	0.536	S	S	*	.	H	α-helix	trans	-69.4	-40.6	-179.9	-163.4	73	0	0	0	111.4	L105 T106 N111 I112	L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 PolarHBondContact O-N 2.75Å; T106-L109 PolarHBondContact O-N 3.02Å; L109-N111 VanDerWaalsContact C-N 3.3Å; L109-N111 PolarHBondContact O-N 3.45Å; L109-I112 WeakPolarHBondContact O-CB 3.42Å; L109-I112 WeakPolarHBondContact O-CG2 3.48Å; L109-I112 PolarHBondContact O-N 3.42Å
110	T	82.5	Confident	84.3	Confident	93 Å²	93	103 Å²	103	57%	0.571	52%	0.518	S	S	*	.	H	α-helix	trans	-67.3	-28.6	177.1	45.4	0	0	0	0	113.4	T106 D107	T106-T110 PolarHBondContact O-N 2.85Å; T106-T110 PolarHBondContact O-OG1 3.2Å; D107-T110 WeakPolarHBondContact CA-OG1 3.45Å; D107-T110 PolarHBondContact O-OG1 3.43Å; D107-T110 VanDerWaalsContact O-OG1 3.12Å
111	N	83.4	Confident	84.4	Confident	81 Å²	81	100.9 Å²	100.9	43%	0.433	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4.5	178.1	-73.3	-55.4	0	0	0	114.1	D107 K108 L109 D113 N114 T115	D107-N111 PolarHBondContact O-N 3.23Å; D107-N111 PolarHBondContact O-ND2 3.05Å; K108-N111 PolarHBondContact O-N 2.94Å; L109-N111 VanDerWaalsContact C-N 3.3Å; L109-N111 PolarHBondContact O-N 3.45Å; N111-D113 PolarHBondContact O-N 3.36Å; N111-N114 PolarHBondContact O-N 2.9Å; N111-T115 WeakPolarHBondContact O-CB 3.32Å; N111-T115 PolarHBondContact O-N 3.26Å; N111-T115 PolarHBondContact O-OG1 2.69Å
112	I	84.1	Confident	84.6	Confident	92 Å²	92	99.9 Å²	99.9	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-41.4	-172.6	-147.4	166.3	0	0	0	111.5	K108 L109 T115 W116	K108-I112 PolarHBondContact O-N 2.84Å; L109-I112 WeakPolarHBondContact O-CB 3.42Å; L109-I112 WeakPolarHBondContact O-CG2 3.48Å; L109-I112 PolarHBondContact O-N 3.42Å; I112-T115 PolarHBondContact O-N 3.16Å; I112-W116 VanDerWaalsContact O-CB 3.22Å; I112-W116 WeakPolarHBondContact O-CB 3.23Å; I112-W116 PolarHBondContact O-N 3.2Å
113	D	80	Confident	84.7	Confident	111 Å²	111	101.4 Å²	101.4	59%	0.594	51%	0.512	S	S	*	.	H	α-helix	trans	-67.2	-42	179.9	-70.3	-22.9	0	0	0	111.4	N111 W116 N117	N111-D113 PolarHBondContact O-N 3.36Å; D113-W116 PolarHBondContact O-N 2.93Å; D113-N117 WeakPolarHBondContact O-CB 3.3Å; D113-N117 PolarHBondContact O-N 3.14Å; D113-N117 PolarHBondContact O-ND2 2.71Å; D113-N117 VanDerWaalsContact O-ND2 3.16Å
114	N	84.8	Confident	84.6	Confident	104 Å²	104	101.6 Å²	101.6	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-64.5	-44.4	176.1	-71.3	-25.7	0	0	0	111.4	N111 W116 N117 Q118	N111-N114 PolarHBondContact O-N 2.9Å; N114-W116 VanDerWaalsContact C-N 3.31Å; N114-W116 PolarHBondContact O-N 3.38Å; N114-N117 PolarHBondContact O-N 2.79Å; N114-Q118 WeakPolarHBondContact O-CB 3.39Å; N114-Q118 PolarHBondContact O-N 3.27Å
115	T	82.1	Confident	84.8	Confident	61 Å²	61	104.7 Å²	104.7	37%	0.374	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-39.1	177.8	-50.4	0	0	0	0	111	N111 I112 R119	N111-T115 WeakPolarHBondContact O-CB 3.32Å; N111-T115 PolarHBondContact O-N 3.26Å; N111-T115 PolarHBondContact O-OG1 2.69Å; I112-T115 PolarHBondContact O-N 3.16Å; T115-R119 WeakPolarHBondContact O-CB 3.44Å; T115-R119 VanDerWaalsContact O-CG 3.3Å; T115-R119 WeakPolarHBondContact O-CG 3.42Å; T115-R119 PolarHBondContact O-N 2.85Å
116	W	82.7	Confident	84.9	Confident	166 Å²	166	106.3 Å²	106.3	63%	0.629	53%	0.527	S	S	*	.	H	α-helix	trans	-69.1	-43.2	178.2	-173.2	89.2	0	0	0	112.1	I112 D113 N114 R119 T120	I112-W116 VanDerWaalsContact O-CB 3.22Å; I112-W116 WeakPolarHBondContact O-CB 3.23Å; I112-W116 PolarHBondContact O-N 3.2Å; D113-W116 PolarHBondContact O-N 2.93Å; N114-W116 VanDerWaalsContact C-N 3.31Å; N114-W116 PolarHBondContact O-N 3.38Å; W116-R119 PolarHBondContact O-N 3.11Å; W116-T120 WeakPolarHBondContact O-CB 3.47Å; W116-T120 PolarHBondContact O-N 3.47Å; W116-T120 PolarHBondContact O-OG1 3.24Å
117	N	84.8	Confident	85	Confident	88 Å²	88	106.5 Å²	106.5	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-44	175.9	-75.1	-29.6	0	0	0	111.6	D113 N114 T120 A121	D113-N117 WeakPolarHBondContact O-CB 3.3Å; D113-N117 PolarHBondContact O-N 3.14Å; D113-N117 PolarHBondContact O-ND2 2.71Å; D113-N117 VanDerWaalsContact O-ND2 3.16Å; N114-N117 PolarHBondContact O-N 2.79Å; N117-T120 PolarHBondContact O-N 3.12Å; N117-A121 WeakPolarHBondContact O-CB 3.43Å; N117-A121 PolarHBondContact O-N 3.01Å
118	Q	87.2	Confident	85.2	Confident	122 Å²	122	105.5 Å²	105.5	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-63.6	-46.1	177.3	-172.3	177.4	-13.1	0	0	111.7	N114 T120 A121 E122	N114-Q118 WeakPolarHBondContact O-CB 3.39Å; N114-Q118 PolarHBondContact O-N 3.27Å; Q118-T120 VanDerWaalsContact C-N 3.31Å; Q118-T120 PolarHBondContact O-N 2.66Å; Q118-A121 PolarHBondContact O-N 3.2Å; Q118-E122 PolarHBondContact NE2-OE1 3.41Å; Q118-E122 WeakPolarHBondContact O-CG 3.42Å; Q118-E122 PolarHBondContact O-N 3.27Å
119	R	86.3	Confident	85.5	Confident	175 Å²	175	105.1 Å²	105.1	66%	0.66	53%	0.531	S	S	*	.	H	α-helix	trans	-62.2	-38.8	176.1	-76.7	178.9	178.7	-173.4	0.3	112.5	T115 W116 M123	T115-R119 WeakPolarHBondContact O-CB 3.44Å; T115-R119 VanDerWaalsContact O-CG 3.3Å; T115-R119 WeakPolarHBondContact O-CG 3.42Å; T115-R119 PolarHBondContact O-N 2.85Å; W116-R119 PolarHBondContact O-N 3.11Å; R119-M123 VanDerWaalsContact O-CB 3.25Å; R119-M123 WeakPolarHBondContact O-CB 3.41Å; R119-M123 PolarHBondContact O-N 2.8Å
120	T	87.5	Confident	85.8	Confident	35 Å²	35	102.3 Å²	102.3	22%	0.215	52%	0.522	C	S	.	.	H	α-helix	trans	-66	-41.8	177.7	-56.7	0	0	0	0	111	W116 N117 Q118 M123 Q124	W116-T120 WeakPolarHBondContact O-CB 3.47Å; W116-T120 PolarHBondContact O-N 3.47Å; W116-T120 PolarHBondContact O-OG1 3.24Å; N117-T120 PolarHBondContact O-N 3.12Å; Q118-T120 VanDerWaalsContact C-N 3.31Å; Q118-T120 PolarHBondContact O-N 2.66Å; T120-M123 PolarHBondContact O-N 2.98Å; T120-Q124 WeakPolarHBondContact O-CG 3.3Å; T120-Q124 PolarHBondContact O-N 3.41Å
121	A	88.3	Confident	86	Confident	53 Å²	53	101.8 Å²	101.8	44%	0.438	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-45.4	175.8	0	0	0	0	0	112.6	N117 Q118 M123 Q124 Q125	N117-A121 WeakPolarHBondContact O-CB 3.43Å; N117-A121 PolarHBondContact O-N 3.01Å; Q118-A121 PolarHBondContact O-N 3.2Å; A121-M123 VanDerWaalsContact C-N 3.28Å; A121-M123 PolarHBondContact O-N 2.92Å; A121-Q124 PolarHBondContact O-N 3.32Å; A121-Q125 PolarHBondContact O-N 3.12Å
122	E	87.2	Confident	86.2	Confident	94 Å²	94	102 Å²	102	44%	0.439	52%	0.523	S	S	.	.	H	α-helix	trans	-60.7	-38.9	174.8	-74.4	175	-167.8	0	0	111.7	Q118 Q125 K126	Q118-E122 PolarHBondContact NE2-OE1 3.41Å; Q118-E122 WeakPolarHBondContact O-CG 3.42Å; Q118-E122 PolarHBondContact O-N 3.27Å; E122-Q125 PolarHBondContact O-N 3Å; E122-K126 WeakPolarHBondContact O-CG 3.43Å; E122-K126 PolarHBondContact O-N 3.39Å
123	M	86	Confident	86.4	Confident	123 Å²	123	101.5 Å²	101.5	61%	0.606	52%	0.524	S	S	*	.	H	α-helix	trans	-68.8	-42.9	177.2	-171.7	147.5	61.9	0	0	111.9	R119 T120 A121 Q125 K126 V127	R119-M123 VanDerWaalsContact O-CB 3.25Å; R119-M123 WeakPolarHBondContact O-CB 3.41Å; R119-M123 PolarHBondContact O-N 2.8Å; T120-M123 PolarHBondContact O-N 2.98Å; A121-M123 VanDerWaalsContact C-N 3.28Å; A121-M123 PolarHBondContact O-N 2.92Å; M123-Q125 VanDerWaalsContact C-N 3.3Å; M123-Q125 PolarHBondContact O-N 2.91Å; M123-K126 PolarHBondContact O-N 3.44Å; M123-V127 VanDerWaalsContact O-CG2 3.28Å; M123-V127 WeakPolarHBondContact O-CG2 3.33Å; M123-V127 PolarHBondContact O-N 2.92Å
124	Q	87.2	Confident	86.8	Confident	134 Å²	134	99.9 Å²	99.9	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-59.9	-41.1	173.7	-76.9	176.3	-13.2	0	0	111.8	T120 A121 V127 A128	T120-Q124 WeakPolarHBondContact O-CG 3.3Å; T120-Q124 PolarHBondContact O-N 3.41Å; A121-Q124 PolarHBondContact O-N 3.32Å; Q124-V127 PolarHBondContact O-N 3.39Å; Q124-A128 WeakPolarHBondContact O-CB 3.35Å; Q124-A128 PolarHBondContact O-N 3.49Å
125	Q	89.5	Confident	86.9	Confident	138 Å²	138	99.1 Å²	99.1	65%	0.645	51%	0.511	S	S	*	.	H	α-helix	trans	-64.4	-43.6	176.4	-171.9	-179.8	0.4	0	0	111.9	A121 E122 M123 A128 Q129	A121-Q125 PolarHBondContact O-N 3.12Å; E122-Q125 PolarHBondContact O-N 3Å; M123-Q125 VanDerWaalsContact C-N 3.3Å; M123-Q125 PolarHBondContact O-N 2.91Å; Q125-A128 PolarHBondContact O-N 2.84Å; Q125-Q129 WeakPolarHBondContact O-CB 3.44Å; Q125-Q129 PolarHBondContact O-N 2.91Å
126	K	87.2	Confident	87.3	Confident	146 Å²	146	97.9 Å²	97.9	64%	0.635	51%	0.51	S	S	*	.	H	α-helix	trans	-63	-42.4	175.1	-78.4	-176.7	179	179.1	0	112.1	E122 M123 Q129 S130	E122-K126 WeakPolarHBondContact O-CG 3.43Å; E122-K126 PolarHBondContact O-N 3.39Å; M123-K126 PolarHBondContact O-N 3.44Å; K126-Q129 PolarHBondContact O-N 2.8Å; K126-S130 WeakPolarHBondContact O-CB 3.29Å; K126-S130 PolarHBondContact O-N 3.21Å; K126-S130 PolarHBondContact O-OG 3.04Å
127	V	88.3	Confident	87.5	Confident	77 Å²	77	94.5 Å²	94.5	47%	0.467	50%	0.504	S	S	.	.	H	α-helix	trans	-61.2	-47.1	176.4	170.3	0	0	0	0	110.6	M123 Q124 Q129 S130 D131	M123-V127 VanDerWaalsContact O-CG2 3.28Å; M123-V127 WeakPolarHBondContact O-CG2 3.33Å; M123-V127 PolarHBondContact O-N 2.92Å; Q124-V127 PolarHBondContact O-N 3.39Å; V127-Q129 VanDerWaalsContact C-N 3.32Å; V127-Q129 PolarHBondContact O-N 2.92Å; V127-S130 WeakPolarHBondContact O-CB 3.35Å; V127-S130 PolarHBondContact O-N 2.9Å; V127-D131 PolarHBondContact O-N 3.22Å
128	A	87.5	Confident	87.7	Confident	59 Å²	59	96.4 Å²	96.4	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-61.3	-39.1	177.3	0	0	0	0	0	112.7	Q124 Q125 D131 S132	Q124-A128 WeakPolarHBondContact O-CB 3.35Å; Q124-A128 PolarHBondContact O-N 3.49Å; Q125-A128 PolarHBondContact O-N 2.84Å; A128-D131 PolarHBondContact O-N 2.8Å; A128-S132 PolarHBondContact O-N 2.91Å; A128-S132 VanDerWaalsContact O-N 3.08Å
129	Q	88.1	Confident	87.7	Confident	132 Å²	132	97.7 Å²	97.7	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-66.5	-42.9	175	-170.6	175.5	8.3	0	0	111.6	Q125 K126 V127 S132 V133	Q125-Q129 WeakPolarHBondContact O-CB 3.44Å; Q125-Q129 PolarHBondContact O-N 2.91Å; K126-Q129 PolarHBondContact O-N 2.8Å; V127-Q129 VanDerWaalsContact C-N 3.32Å; V127-Q129 PolarHBondContact O-N 2.92Å; Q129-S132 PolarHBondContact O-N 3.39Å; Q129-V133 WeakPolarHBondContact O-CG2 3.48Å; Q129-V133 PolarHBondContact O-N 2.85Å; Q129-V133 VanDerWaalsContact O-N 3.09Å
130	S	86.9	Confident	87.8	Confident	65 Å²	65	94.9 Å²	94.9	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-42.5	174.6	-71.2	0	0	0	0	112	K126 V127 S132 V133 I134	K126-S130 WeakPolarHBondContact O-CB 3.29Å; K126-S130 PolarHBondContact O-N 3.21Å; K126-S130 PolarHBondContact O-OG 3.04Å; V127-S130 WeakPolarHBondContact O-CB 3.35Å; V127-S130 PolarHBondContact O-N 2.9Å; S130-S132 VanDerWaalsContact C-N 3.33Å; S130-S132 PolarHBondContact O-N 2.82Å; S130-V133 PolarHBondContact O-N 2.78Å; S130-I134 WeakPolarHBondContact O-CB 3.49Å; S130-I134 VanDerWaalsContact O-CG1 3.23Å; S130-I134 WeakPolarHBondContact O-CG1 3.25Å; S130-I134 PolarHBondContact O-N 3.05Å
131	D	87.6	Confident	87.9	Confident	81 Å²	81	97.4 Å²	97.4	43%	0.433	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-40.6	177	-74.2	-24.9	0	0	0	111.7	V127 A128 V133 I134 N135	V127-D131 PolarHBondContact O-N 3.22Å; A128-D131 PolarHBondContact O-N 2.8Å; D131-V133 PolarHBondContact O-N 3.34Å; D131-I134 PolarHBondContact O-N 3.25Å; D131-N135 WeakPolarHBondContact O-CB 3.25Å; D131-N135 VanDerWaalsContact O-CG 3.26Å; D131-N135 PolarHBondContact O-N 2.89Å; D131-N135 PolarHBondContact O-ND2 3.02Å
132	S	87.3	Confident	87.9	Confident	85 Å²	85	101.1 Å²	101.1	59%	0.594	53%	0.529	S	S	*	.	H	α-helix	trans	-61.7	-42.7	174.3	-175	0	0	0	0	112.1	A128 Q129 S130 G136	A128-S132 PolarHBondContact O-N 2.91Å; A128-S132 VanDerWaalsContact O-N 3.08Å; Q129-S132 PolarHBondContact O-N 3.39Å; S130-S132 VanDerWaalsContact C-N 3.33Å; S130-S132 PolarHBondContact O-N 2.82Å; S132-G136 PolarHBondContact O-N 3.27Å; S132-G136 VanDerWaalsContact O-N 3.08Å
133	V	88.5	Confident	88	Confident	83 Å²	83	103 Å²	103	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-67.8	-42.8	177.4	172.5	0	0	0	0	110.7	Q129 S130 D131 N135 G136 L137	Q129-V133 WeakPolarHBondContact O-CG2 3.48Å; Q129-V133 PolarHBondContact O-N 2.85Å; Q129-V133 VanDerWaalsContact O-N 3.09Å; S130-V133 PolarHBondContact O-N 2.78Å; D131-V133 PolarHBondContact O-N 3.34Å; V133-N135 VanDerWaalsContact C-N 3.32Å; V133-N135 PolarHBondContact O-N 3.32Å; V133-G136 PolarHBondContact O-N 2.82Å; V133-L137 HydrophobicContact CG1-CD1 3.85Å; V133-L137 HydrophobicContact CG1-CG 4.28Å; V133-L137 WeakPolarHBondContact O-CB 3.22Å; V133-L137 WeakPolarHBondContact O-CG 3.27Å; V133-L137 PolarHBondContact O-N 3.43Å
134	I	87.7	Confident	88.1	Confident	76 Å²	76	101.6 Å²	101.6	39%	0.39	53%	0.53	S	S	.	.	H	α-helix	trans	-60.8	-42.1	177.2	-72.2	165.8	0	0	0	110.7	S130 D131 L137 K138	S130-I134 WeakPolarHBondContact O-CB 3.49Å; S130-I134 VanDerWaalsContact O-CG1 3.23Å; S130-I134 WeakPolarHBondContact O-CG1 3.25Å; S130-I134 PolarHBondContact O-N 3.05Å; D131-I134 PolarHBondContact O-N 3.25Å; I134-L137 PolarHBondContact O-N 2.99Å; I134-K138 HydrophobicContact CG2-CD 4.15Å; I134-K138 HydrophobicContact CG2-CG 4.46Å; I134-K138 WeakPolarHBondContact O-CB 3.43Å; I134-K138 VanDerWaalsContact O-CG 3.29Å; I134-K138 WeakPolarHBondContact O-CG 3.35Å; I134-K138 PolarHBondContact O-N 3.12Å
135	N	87.8	Confident	88.1	Confident	89 Å²	89	101.2 Å²	101.2	48%	0.476	53%	0.526	S	S	.	.	H	α-helix	trans	-67	-42.9	178	-72	-25.4	0	0	0	111.9	D131 V133 L137 K138 E139	D131-N135 WeakPolarHBondContact O-CB 3.25Å; D131-N135 VanDerWaalsContact O-CG 3.26Å; D131-N135 PolarHBondContact O-N 2.89Å; D131-N135 PolarHBondContact O-ND2 3.02Å; V133-N135 VanDerWaalsContact C-N 3.32Å; V133-N135 PolarHBondContact O-N 3.32Å; N135-L137 PolarHBondContact O-N 3.49Å; N135-K138 PolarHBondContact O-N 3.35Å; N135-E139 PolarHBondContact O-N 2.74Å
136	G	89.7	Confident	88	Confident	35 Å²	35	99 Å²	99	36%	0.361	52%	0.519	S	S	.	.	H	α-helix	trans	-60.5	-45	173.3	0	0	0	0	0	112.5	S132 V133 K138 E139 E140	S132-G136 PolarHBondContact O-N 3.27Å; S132-G136 VanDerWaalsContact O-N 3.08Å; V133-G136 PolarHBondContact O-N 2.82Å; G136-K138 VanDerWaalsContact C-N 3.33Å; G136-K138 PolarHBondContact O-N 3.07Å; G136-E139 PolarHBondContact O-N 3Å; G136-E140 PolarHBondContact O-N 3.27Å
137	L	87.6	Confident	88	Confident	95 Å²	95	97 Å²	97	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-36.2	175.7	-74.4	172.9	0	0	0	112.2	V133 I134 N135 N141	V133-L137 HydrophobicContact CG1-CD1 3.85Å; V133-L137 HydrophobicContact CG1-CG 4.28Å; V133-L137 WeakPolarHBondContact O-CB 3.22Å; V133-L137 WeakPolarHBondContact O-CG 3.27Å; V133-L137 PolarHBondContact O-N 3.43Å; I134-L137 PolarHBondContact O-N 2.99Å; N135-L137 PolarHBondContact O-N 3.49Å; L137-N141 VanDerWaalsContact O-CB 3.27Å; L137-N141 WeakPolarHBondContact O-CB 3.4Å; L137-N141 PolarHBondContact O-N 2.77Å
138	K	87.9	Confident	87.9	Confident	128 Å²	128	98.6 Å²	98.6	56%	0.557	52%	0.517	S	S	*	.	H	α-helix	trans	-65	-44.6	175.4	-82	175.3	-179.7	173.8	0	111.8	I134 N135 G136 N141 Q142	I134-K138 HydrophobicContact CG2-CD 4.15Å; I134-K138 HydrophobicContact CG2-CG 4.46Å; I134-K138 WeakPolarHBondContact O-CB 3.43Å; I134-K138 VanDerWaalsContact O-CG 3.29Å; I134-K138 WeakPolarHBondContact O-CG 3.35Å; I134-K138 PolarHBondContact O-N 3.12Å; N135-K138 PolarHBondContact O-N 3.35Å; G136-K138 VanDerWaalsContact C-N 3.33Å; G136-K138 PolarHBondContact O-N 3.07Å; K138-N141 PolarHBondContact O-N 3.26Å; K138-Q142 WeakPolarHBondContact O-CB 3.29Å; K138-Q142 PolarHBondContact O-N 3.5Å
139	E	88.5	Confident	87.8	Confident	149 Å²	149	100 Å²	100	70%	0.696	52%	0.516	S	S	*	.	H	α-helix	trans	-61.9	-44.8	176	-74.1	-178.6	177.1	0	0	111.4	N135 G136 Q142 K143	N135-E139 PolarHBondContact O-N 2.74Å; G136-E139 PolarHBondContact O-N 3Å; E139-Q142 PolarHBondContact O-N 2.91Å; E139-K143 PolarHBondContact O-N 3.5Å
140	E	87.7	Confident	87.8	Confident	115 Å²	115	97.7 Å²	97.7	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-44.2	175.9	-170.2	173.4	-164.9	0	0	111.7	G136 Q142 K143 L144	G136-E140 PolarHBondContact O-N 3.27Å; E140-Q142 VanDerWaalsContact C-N 3.27Å; E140-Q142 PolarHBondContact O-N 3.08Å; E140-K143 PolarHBondContact O-N 3.01Å; E140-L144 HydrophobicContact CG-CD1 4.19Å; E140-L144 WeakPolarHBondContact O-CB 3.28Å; E140-L144 WeakPolarHBondContact O-CG 3.48Å; E140-L144 PolarHBondContact O-N 2.78Å
141	N	88.8	Confident	87.6	Confident	89 Å²	89	96.8 Å²	96.8	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-60	-38.8	174.7	-126.2	-71.8	0	0	0	111.8	L137 K138 L144 K145	L137-N141 VanDerWaalsContact O-CB 3.27Å; L137-N141 WeakPolarHBondContact O-CB 3.4Å; L137-N141 PolarHBondContact O-N 2.77Å; K138-N141 PolarHBondContact O-N 3.26Å; N141-L144 PolarHBondContact O-N 3.38Å; N141-K145 WeakPolarHBondContact O-CB 3.36Å; N141-K145 VanDerWaalsContact O-CG 3.29Å; N141-K145 WeakPolarHBondContact O-CG 3.4Å; N141-K145 PolarHBondContact O-N 2.85Å
142	Q	88.2	Confident	87.3	Confident	131 Å²	131	97.4 Å²	97.4	61%	0.612	51%	0.507	S	S	*	.	H	α-helix	trans	-69.8	-39	179.3	-167.6	135	-2.6	0	0	111.5	K138 E139 E140 K145 N146	K138-Q142 WeakPolarHBondContact O-CB 3.29Å; K138-Q142 PolarHBondContact O-N 3.5Å; E139-Q142 PolarHBondContact O-N 2.91Å; E140-Q142 VanDerWaalsContact C-N 3.27Å; E140-Q142 PolarHBondContact O-N 3.08Å; Q142-K145 PolarHBondContact O-N 3.31Å; Q142-N146 VanDerWaalsContact O-CG 3.3Å; Q142-N146 PolarHBondContact O-N 3.23Å; Q142-N146 PolarHBondContact O-ND2 3.26Å
143	K	89.8	Confident	87.1	Confident	134 Å²	134	100.1 Å²	100.1	58%	0.583	51%	0.508	S	S	*	.	H	α-helix	trans	-62.7	-48.5	172.1	-172	-176.7	175	-168.4	0	111.4	E139 E140 K145 N146 E147	E139-K143 PolarHBondContact O-N 3.5Å; E140-K143 PolarHBondContact O-N 3.01Å; K143-K145 VanDerWaalsContact C-N 3.33Å; K143-K145 PolarHBondContact O-N 3.43Å; K143-N146 WeakPolarHBondContact O-CB 3.45Å; K143-N146 PolarHBondContact O-N 3.47Å; K143-N146 VanDerWaalsContact O-N 3.14Å; K143-E147 VanDerWaalsContact CE-OE1 3.26Å; K143-E147 WeakPolarHBondContact CE-OE1 3.39Å; K143-E147 WeakPolarHBondContact O-CG 3.26Å; K143-E147 PolarHBondContact O-N 3.08Å
144	L	88.5	Confident	86.8	Confident	92 Å²	92	103.3 Å²	103.3	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-39	176.7	-73.2	170.5	0	0	0	112.1	E140 N141 E147 L148	E140-L144 HydrophobicContact CG-CD1 4.19Å; E140-L144 WeakPolarHBondContact O-CB 3.28Å; E140-L144 WeakPolarHBondContact O-CG 3.48Å; E140-L144 PolarHBondContact O-N 2.78Å; N141-L144 PolarHBondContact O-N 3.38Å; L144-E147 PolarHBondContact O-N 3.46Å; L144-L148 VanDerWaalsContact O-CB 3.25Å; L144-L148 WeakPolarHBondContact O-CB 3.38Å; L144-L148 PolarHBondContact O-N 3.43Å
145	K	86.8	Confident	86.4	Confident	126 Å²	126	103.7 Å²	103.7	55%	0.548	52%	0.521	S	S	.	.	H	α-helix	trans	-61.2	-43.2	173	-82.5	177.8	-178.9	-179.7	0	112	N141 Q142 K143 L148 I149	N141-K145 WeakPolarHBondContact O-CB 3.36Å; N141-K145 VanDerWaalsContact O-CG 3.29Å; N141-K145 WeakPolarHBondContact O-CG 3.4Å; N141-K145 PolarHBondContact O-N 2.85Å; Q142-K145 PolarHBondContact O-N 3.31Å; K143-K145 VanDerWaalsContact C-N 3.33Å; K143-K145 PolarHBondContact O-N 3.43Å; K145-L148 PolarHBondContact O-N 3.45Å; K145-I149 VanDerWaalsContact O-CG1 3.25Å; K145-I149 WeakPolarHBondContact O-CG1 3.49Å; K145-I149 PolarHBondContact O-N 2.85Å
146	N	87.6	Confident	85.9	Confident	93 Å²	93	102.8 Å²	102.8	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-65.5	-42.7	177.2	-70.5	-19.9	0	0	0	111.4	Q142 K143 I149 V150	Q142-N146 VanDerWaalsContact O-CG 3.3Å; Q142-N146 PolarHBondContact O-N 3.23Å; Q142-N146 PolarHBondContact O-ND2 3.26Å; K143-N146 WeakPolarHBondContact O-CB 3.45Å; K143-N146 PolarHBondContact O-N 3.47Å; K143-N146 VanDerWaalsContact O-N 3.14Å; N146-I149 PolarHBondContact O-N 3.18Å; N146-V150 WeakPolarHBondContact O-CG2 3.29Å; N146-V150 PolarHBondContact O-N 3.06Å; N146-V150 VanDerWaalsContact O-N 3.08Å
147	E	88.1	Confident	85.3	Confident	103 Å²	103	103.8 Å²	103.8	48%	0.481	52%	0.521	S	S	.	.	H	α-helix	trans	-62.6	-41.6	174.6	-72.1	175.9	-172.3	0	0	111.6	K143 L144 V150 A151	K143-E147 VanDerWaalsContact CE-OE1 3.26Å; K143-E147 WeakPolarHBondContact CE-OE1 3.39Å; K143-E147 WeakPolarHBondContact O-CG 3.26Å; K143-E147 PolarHBondContact O-N 3.08Å; L144-E147 PolarHBondContact O-N 3.46Å; E147-V150 PolarHBondContact O-N 3.41Å; E147-A151 WeakPolarHBondContact O-CB 3.26Å; E147-A151 PolarHBondContact O-N 3.13Å
148	L	85.5	Confident	84.7	Confident	110 Å²	110	101.5 Å²	101.5	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-63	-42	175.3	-175	70.6	0	0	0	111.6	L144 K145 V150 A151 Q152	L144-L148 VanDerWaalsContact O-CB 3.25Å; L144-L148 WeakPolarHBondContact O-CB 3.38Å; L144-L148 PolarHBondContact O-N 3.43Å; K145-L148 PolarHBondContact O-N 3.45Å; L148-V150 VanDerWaalsContact C-N 3.31Å; L148-V150 PolarHBondContact O-N 2.96Å; L148-A151 PolarHBondContact O-N 3.28Å; L148-Q152 WeakPolarHBondContact O-CB 3.36Å; L148-Q152 PolarHBondContact O-N 3.06Å
149	I	86.1	Confident	83.8	Confident	90 Å²	90	97.5 Å²	97.5	46%	0.462	50%	0.504	S	S	.	.	H	α-helix	trans	-61.1	-41.8	175.2	-71.8	163.9	0	0	0	110.6	K145 N146 K153	K145-I149 VanDerWaalsContact O-CG1 3.25Å; K145-I149 WeakPolarHBondContact O-CG1 3.49Å; K145-I149 PolarHBondContact O-N 2.85Å; N146-I149 PolarHBondContact O-N 3.18Å; I149-K153 WeakPolarHBondContact O-CB 3.26Å; I149-K153 WeakPolarHBondContact O-CG 3.36Å; I149-K153 PolarHBondContact O-N 3.03Å
150	V	86.9	Confident	82.9	Confident	82 Å²	82	94.9 Å²	94.9	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-68.1	-42	177.5	173.3	0	0	0	0	111.1	N146 E147 L148 K153 K154	N146-V150 WeakPolarHBondContact O-CG2 3.29Å; N146-V150 PolarHBondContact O-N 3.06Å; N146-V150 VanDerWaalsContact O-N 3.08Å; E147-V150 PolarHBondContact O-N 3.41Å; L148-V150 VanDerWaalsContact C-N 3.31Å; L148-V150 PolarHBondContact O-N 2.96Å; V150-K153 PolarHBondContact O-N 3.24Å; V150-K154 WeakPolarHBondContact O-CG 3.44Å; V150-K154 PolarHBondContact O-N 3.16Å; V150-K154 VanDerWaalsContact O-N 3.13Å
151	A	83.4	Confident	82	Confident	47 Å²	47	96 Å²	96	39%	0.388	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-45.2	176.1	0	0	0	0	0	111.3	E147 L148 K153 K154 V155	E147-A151 WeakPolarHBondContact O-CB 3.26Å; E147-A151 PolarHBondContact O-N 3.13Å; L148-A151 PolarHBondContact O-N 3.28Å; A151-K153 PolarHBondContact O-N 2.86Å; A151-K154 WeakPolarHBondContact O-CB 3.39Å; A151-K154 PolarHBondContact O-N 3.15Å; A151-K154 VanDerWaalsContact O-N 3.11Å; A151-V155 WeakPolarHBondContact O-CG2 3.35Å; A151-V155 PolarHBondContact O-N 3.03Å
152	Q	80.7	Confident	80.9	Confident	94 Å²	94	96.7 Å²	96.7	44%	0.439	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-47.3	176.5	-170	65.4	49.1	0	0	110.7	L148 K154 V155 D156	L148-Q152 WeakPolarHBondContact O-CB 3.36Å; L148-Q152 PolarHBondContact O-N 3.06Å; Q152-K154 PolarHBondContact O-N 3.03Å; Q152-V155 CarbonylContact O-C 3.58Å; Q152-V155 WeakPolarHBondContact O-CA 3.43Å; Q152-V155 PolarHBondContact O-N 3.15Å; Q152-D156 PolarHBondContact NE2-OD1 3.41Å; Q152-D156 WeakPolarHBondContact O-CB 3.42Å; Q152-D156 PolarHBondContact O-N 2.93Å
153	K	82.8	Confident	79.7	Confident	142 Å²	142	94.4 Å²	94.4	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-58.3	-35	175.1	-77.9	-177.5	178.2	-174.6	0	113.3	I149 V150 A151 A157	I149-K153 WeakPolarHBondContact O-CB 3.26Å; I149-K153 WeakPolarHBondContact O-CG 3.36Å; I149-K153 PolarHBondContact O-N 3.03Å; V150-K153 PolarHBondContact O-N 3.24Å; A151-K153 PolarHBondContact O-N 2.86Å; K153-A157 VanDerWaalsContact O-CB 3.25Å; K153-A157 WeakPolarHBondContact O-CB 3.49Å; K153-A157 PolarHBondContact O-N 2.93Å
154	K	82.5	Confident	78.5	Confident	149 Å²	149	93.3 Å²	93.3	65%	0.648	50%	0.499	S	S	*	.	H	α-helix	trans	-70.8	-40.3	174.6	-72.7	178	179.9	-179.6	0	111.6	V150 A151 Q152 A158	V150-K154 WeakPolarHBondContact O-CG 3.44Å; V150-K154 PolarHBondContact O-N 3.16Å; V150-K154 VanDerWaalsContact O-N 3.13Å; A151-K154 WeakPolarHBondContact O-CB 3.39Å; A151-K154 PolarHBondContact O-N 3.15Å; A151-K154 VanDerWaalsContact O-N 3.11Å; Q152-K154 PolarHBondContact O-N 3.03Å; K154-A158 VanDerWaalsContact O-CB 3.32Å; K154-A158 WeakPolarHBondContact O-CB 3.35Å; K154-A158 PolarHBondContact O-N 2.86Å
155	V	80.6	Confident	77.2	Confident	84 Å²	84	95.8 Å²	95.8	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-45.7	175.1	172.4	0	0	0	0	110.4	A151 Q152 A157 A158 S159	A151-V155 WeakPolarHBondContact O-CG2 3.35Å; A151-V155 PolarHBondContact O-N 3.03Å; Q152-V155 CarbonylContact O-C 3.58Å; Q152-V155 WeakPolarHBondContact O-CA 3.43Å; Q152-V155 PolarHBondContact O-N 3.15Å; V155-A157 PolarHBondContact O-N 2.75Å; V155-A158 CarbonylContact O-C 3.51Å; V155-A158 PolarHBondContact O-N 3.13Å; V155-A158 VanDerWaalsContact O-N 3.14Å; V155-S159 WeakPolarHBondContact O-CB 3.4Å; V155-S159 PolarHBondContact O-N 3.35Å; V155-S159 PolarHBondContact O-OG 2.87Å
156	D	76.8	Confident	75.8	Confident	70 Å²	70	94.7 Å²	94.7	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-42.5	176.7	-61.3	-16.6	0	0	0	111.2	Q152 A158 S159 V160	Q152-D156 PolarHBondContact NE2-OD1 3.41Å; Q152-D156 WeakPolarHBondContact O-CB 3.42Å; Q152-D156 PolarHBondContact O-N 2.93Å; D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.34Å; D156-S159 VanDerWaalsContact CA-OG 3.31Å; D156-S159 WeakPolarHBondContact CA-OG 3.08Å; D156-S159 PolarHBondContact O-N 2.65Å; D156-S159 PolarHBondContact O-OG 3.31Å; D156-V160 WeakPolarHBondContact O-CB 3.24Å; D156-V160 WeakPolarHBondContact O-CG2 3.33Å; D156-V160 PolarHBondContact O-N 2.95Å
157	A	76.5	Confident	74.2	Confident	56 Å²	56	99 Å²	99	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-36.4	175.1	0	0	0	0	0	112.1	K153 V155 Q161	K153-A157 VanDerWaalsContact O-CB 3.25Å; K153-A157 WeakPolarHBondContact O-CB 3.49Å; K153-A157 PolarHBondContact O-N 2.93Å; V155-A157 PolarHBondContact O-N 2.75Å; A157-Q161 WeakPolarHBondContact O-CG 3.34Å; A157-Q161 PolarHBondContact O-N 2.8Å
158	A	74.3	Confident	72.8	Confident	48 Å²	48	98 Å²	98	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-73.7	-38.5	176.3	0	0	0	0	0	112.2	K154 V155 D156 Q161 L162	K154-A158 VanDerWaalsContact O-CB 3.32Å; K154-A158 WeakPolarHBondContact O-CB 3.35Å; K154-A158 PolarHBondContact O-N 2.86Å; V155-A158 CarbonylContact O-C 3.51Å; V155-A158 PolarHBondContact O-N 3.13Å; V155-A158 VanDerWaalsContact O-N 3.14Å; D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.34Å; A158-Q161 PolarHBondContact O-N 2.77Å; A158-L162 WeakPolarHBondContact O-CB 3.02Å; A158-L162 PolarHBondContact O-N 3.45Å
159	S	69.5	Low	71.6	Confident	44 Å²	44	97 Å²	97	31%	0.308	51%	0.508	S	S	.	.	H	α-helix	trans	-67.5	-41.3	176.9	66.9	0	0	0	0	110.5	V155 D156 Q161 L162 D163	V155-S159 WeakPolarHBondContact O-CB 3.4Å; V155-S159 PolarHBondContact O-N 3.35Å; V155-S159 PolarHBondContact O-OG 2.87Å; D156-S159 VanDerWaalsContact CA-OG 3.31Å; D156-S159 WeakPolarHBondContact CA-OG 3.08Å; D156-S159 PolarHBondContact O-N 2.65Å; D156-S159 PolarHBondContact O-OG 3.31Å; S159-Q161 VanDerWaalsContact C-N 3.3Å; S159-Q161 PolarHBondContact O-N 2.89Å; S159-L162 CarbonylContact O-C 3.51Å; S159-L162 WeakPolarHBondContact O-CA 3.18Å; S159-L162 WeakPolarHBondContact O-CB 3.26Å; S159-L162 PolarHBondContact O-N 3.16Å; S159-D163 WeakPolarHBondContact O-CB 3.47Å; S159-D163 PolarHBondContact O-N 3.13Å
160	V	69.8	Low	70.2	Confident	94 Å²	94	98 Å²	98	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-59.8	-40.4	172.7	170.1	0	0	0	0	111.4	D156 L162 D163 D164	D156-V160 WeakPolarHBondContact O-CB 3.24Å; D156-V160 WeakPolarHBondContact O-CG2 3.33Å; D156-V160 PolarHBondContact O-N 2.95Å; V160-L162 VanDerWaalsContact C-N 3.33Å; V160-D163 PolarHBondContact O-N 2.73Å; V160-D164 WeakPolarHBondContact O-CB 3.35Å; V160-D164 PolarHBondContact O-N 2.95Å
161	Q	69.4	Low	68.5	Low	138 Å²	138	100.5 Å²	100.5	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-68.5	-31.1	174.5	-74	-175.5	8.3	0	0	113.3	A157 A158 S159 K165	A157-Q161 WeakPolarHBondContact O-CG 3.34Å; A157-Q161 PolarHBondContact O-N 2.8Å; A158-Q161 PolarHBondContact O-N 2.77Å; S159-Q161 VanDerWaalsContact C-N 3.3Å; S159-Q161 PolarHBondContact O-N 2.89Å; Q161-K165 WeakPolarHBondContact O-CG 3.3Å; Q161-K165 PolarHBondContact O-N 3.39Å
162	L	65.2	Low	67	Low	103 Å²	103	103.3 Å²	103.3	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-73.2	-42.3	174.6	-100.6	143.4	0	0	0	111.4	A158 S159 V160 K165 Q166	A158-L162 WeakPolarHBondContact O-CB 3.02Å; A158-L162 PolarHBondContact O-N 3.45Å; S159-L162 CarbonylContact O-C 3.51Å; S159-L162 WeakPolarHBondContact O-CA 3.18Å; S159-L162 WeakPolarHBondContact O-CB 3.26Å; S159-L162 PolarHBondContact O-N 3.16Å; V160-L162 VanDerWaalsContact C-N 3.33Å; L162-K165 CarbonylContact O-C 3.53Å; L162-K165 PolarHBondContact O-N 2.91Å; L162-Q166 WeakPolarHBondContact O-CB 3.42Å; L162-Q166 WeakPolarHBondContact O-CG 3.39Å; L162-Q166 PolarHBondContact O-N 3.39Å
163	D	62.7	Low	65.3	Low	83 Å²	83	108.2 Å²	108.2	44%	0.444	54%	0.54	S	S	.	.	H	α-helix	trans	-62.6	-42.1	176.5	-79.7	-2.5	0	0	0	111.3	S159 V160 K165 Q166 R167	S159-D163 WeakPolarHBondContact O-CB 3.47Å; S159-D163 PolarHBondContact O-N 3.13Å; V160-D163 PolarHBondContact O-N 2.73Å; D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 3.5Å; D163-Q166 PolarHBondContact O-N 3.37Å; D163-R167 VanDerWaalsContact O-CB 3.28Å; D163-R167 WeakPolarHBondContact O-CB 3.27Å; D163-R167 WeakPolarHBondContact O-CG 3.5Å; D163-R167 PolarHBondContact O-N 3Å
164	D	63.9	Low	63.7	Low	111 Å²	111	107.2 Å²	107.2	59%	0.594	54%	0.536	S	S	*	.	H	α-helix	trans	-67.2	-38.2	178.8	-137.6	33.7	0	0	0	111	V160 T168	V160-D164 WeakPolarHBondContact O-CB 3.35Å; V160-D164 PolarHBondContact O-N 2.95Å; D164-T168 WeakPolarHBondContact O-CB 3.41Å; D164-T168 PolarHBondContact O-N 3.48Å; D164-T168 PolarHBondContact O-OG1 2.98Å
165	K	62.2	Low	62.2	Low	144 Å²	144	107 Å²	107	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-69.3	-42.1	172.8	-77.2	-178.4	179.5	178.8	0	112.4	Q161 L162 D163 T168 I169	Q161-K165 WeakPolarHBondContact O-CG 3.3Å; Q161-K165 PolarHBondContact O-N 3.39Å; L162-K165 CarbonylContact O-C 3.53Å; L162-K165 PolarHBondContact O-N 2.91Å; D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 3.5Å; K165-T168 PolarHBondContact O-N 3.48Å; K165-I169 VanDerWaalsContact O-CG1 3.25Å; K165-I169 WeakPolarHBondContact O-CG1 3.46Å; K165-I169 PolarHBondContact O-N 2.95Å
166	Q	57.5	Low	60.9	Low	104 Å²	104	112.1 Å²	112.1	49%	0.486	55%	0.551	S	S	.	*	H	α-helix	trans	-66.4	-42.5	177.3	-81.3	-177.1	-18.8	0	0	111.2	L162 D163 T168 I169 I170	L162-Q166 WeakPolarHBondContact O-CB 3.42Å; L162-Q166 WeakPolarHBondContact O-CG 3.39Å; L162-Q166 PolarHBondContact O-N 3.39Å; D163-Q166 PolarHBondContact O-N 3.37Å; Q166-T168 VanDerWaalsContact C-N 3.3Å; Q166-T168 PolarHBondContact O-N 3.41Å; Q166-I169 PolarHBondContact O-N 3.34Å; Q166-I170 WeakPolarHBondContact O-CB 3.17Å; Q166-I170 WeakPolarHBondContact O-CG1 3.44Å; Q166-I170 PolarHBondContact O-N 3.24Å
167	R	54.8	Low	59.4	Low	182 Å²	182	111 Å²	111	69%	0.687	56%	0.555	S	S	*	*	H	α-helix	trans	-59.3	-41.3	172.2	-81	-178.3	177.4	-154.6	-1.3	111.9	D163 M171	D163-R167 VanDerWaalsContact O-CB 3.28Å; D163-R167 WeakPolarHBondContact O-CB 3.27Å; D163-R167 WeakPolarHBondContact O-CG 3.5Å; D163-R167 PolarHBondContact O-N 3Å; R167-M171 WeakPolarHBondContact O-CB 3.36Å; R167-M171 WeakPolarHBondContact O-CG 3.34Å; R167-M171 PolarHBondContact O-N 3.08Å
168	T	58.7	Low	57.7	Low	83 Å²	83	110.8 Å²	110.8	51%	0.509	56%	0.559	S	S	.	*	H	α-helix	trans	-65.4	-44	176.5	-55.4	0	0	0	0	111.1	D164 K165 Q166 M171 Q172	D164-T168 WeakPolarHBondContact O-CB 3.41Å; D164-T168 PolarHBondContact O-N 3.48Å; D164-T168 PolarHBondContact O-OG1 2.98Å; K165-T168 PolarHBondContact O-N 3.48Å; Q166-T168 VanDerWaalsContact C-N 3.3Å; Q166-T168 PolarHBondContact O-N 3.41Å; T168-M171 PolarHBondContact O-N 2.82Å; T168-Q172 VanDerWaalsContact O-CB 3.26Å; T168-Q172 WeakPolarHBondContact O-CB 3.44Å; T168-Q172 PolarHBondContact O-N 3.09Å
169	I	58.3	Low	55.9	Low	90 Å²	90	112.5 Å²	112.5	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-65.7	-45.5	176.6	-68.1	165.4	0	0	0	110.5	K165 Q166 M171 Q172 W173	K165-I169 VanDerWaalsContact O-CG1 3.25Å; K165-I169 WeakPolarHBondContact O-CG1 3.46Å; K165-I169 PolarHBondContact O-N 2.95Å; Q166-I169 PolarHBondContact O-N 3.34Å; I169-M171 PolarHBondContact O-N 3.2Å; I169-Q172 CarbonylContact O-C 3.56Å; I169-Q172 WeakPolarHBondContact O-CB 3.43Å; I169-Q172 PolarHBondContact O-N 3.48Å; I169-Q172 VanDerWaalsContact O-N 3.13Å; I169-W173 PolarHBondContact O-N 2.94Å
170	I	58.2	Low	54.6	Low	111 Å²	111	116.5 Å²	116.5	57%	0.569	60%	0.603	S	S	*	*	H	α-helix	trans	-62	-43.9	177.2	-70.4	165.3	0	0	0	110.6	Q166 Q172 W173 F174	Q166-I170 WeakPolarHBondContact O-CB 3.17Å; Q166-I170 WeakPolarHBondContact O-CG1 3.44Å; Q166-I170 PolarHBondContact O-N 3.24Å; I170-Q172 VanDerWaalsContact C-N 3.31Å; I170-Q172 PolarHBondContact O-N 3.44Å; I170-W173 PolarHBondContact O-N 3.36Å; I170-F174 VanDerWaalsContact O-CB 3.24Å; I170-F174 WeakPolarHBondContact O-CB 3.41Å; I170-F174 PolarHBondContact O-N 2.82Å
171	M	51.6	Low	53.1	Low	133 Å²	133	117.2 Å²	117.2	66%	0.655	60%	0.603	S	S	*	*	H	α-helix	trans	-64.1	-35.7	173.5	-83.3	-148.6	-170	0	0	112.4	R167 T168 I169 F174 M175	R167-M171 WeakPolarHBondContact O-CB 3.36Å; R167-M171 WeakPolarHBondContact O-CG 3.34Å; R167-M171 PolarHBondContact O-N 3.08Å; T168-M171 PolarHBondContact O-N 2.82Å; I169-M171 PolarHBondContact O-N 3.2Å; M171-F174 PolarHBondContact O-N 3.17Å; M171-M175 WeakPolarHBondContact O-CB 3.35Å; M171-M175 WeakPolarHBondContact O-CG 3.37Å; M171-M175 PolarHBondContact O-N 2.85Å
172	Q	50.4	Low	51.7	Low	106 Å²	106	113.8 Å²	113.8	50%	0.495	61%	0.605	S	S	.	*	H	α-helix	trans	-68.8	-39.9	175.9	-159.2	170.2	9.3	0	0	110.8	T168 I169 I170 Y176	T168-Q172 VanDerWaalsContact O-CB 3.26Å; T168-Q172 WeakPolarHBondContact O-CB 3.44Å; T168-Q172 PolarHBondContact O-N 3.09Å; I169-Q172 CarbonylContact O-C 3.56Å; I169-Q172 WeakPolarHBondContact O-CB 3.43Å; I169-Q172 PolarHBondContact O-N 3.48Å; I169-Q172 VanDerWaalsContact O-N 3.13Å; I170-Q172 VanDerWaalsContact C-N 3.31Å; I170-Q172 PolarHBondContact O-N 3.44Å; Q172-Y176 HydrophobicContact CG-CD2 3.82Å; Q172-Y176 HydrophobicContact CG-CE2 3.97Å; Q172-Y176 WeakPolarHBondContact O-CB 3.44Å; Q172-Y176 VanDerWaalsContact O-CD2 3.22Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.36Å; Q172-Y176 PolarHBondContact O-N 3.31Å
173	W	46.2	Very low	50.6	Low	197 Å²	197	116.5 Å²	116.5	75%	0.746	62%	0.619	S	S	*	*	H	α-helix	trans	-66.1	-38	171.4	-82.5	69.7	0	0	0	112.1	I169 I170 G177	I169-W173 PolarHBondContact O-N 2.94Å; I170-W173 PolarHBondContact O-N 3.36Å; W173-G177 WeakPolarHBondContact O-CA 3.4Å; W173-G177 PolarHBondContact O-N 3.22Å
174	F	48.8	Very low	49.8	Very low	121 Å²	121	114.7 Å²	114.7	53%	0.531	62%	0.62	S	S	.	*	H	α-helix	trans	-68.2	-35.3	176.9	-166.5	-94.8	0	0	0	113	I170 M171	I170-F174 VanDerWaalsContact O-CB 3.24Å; I170-F174 WeakPolarHBondContact O-CB 3.41Å; I170-F174 PolarHBondContact O-N 2.82Å; M171-F174 PolarHBondContact O-N 3.17Å
175	M	51	Low	49.1	Very low	144 Å²	144	114.3 Å²	114.3	71%	0.709	62%	0.617	S	S	*	*	H	α-helix	trans	-81.4	-28	176.7	-73.5	-160.8	-57	0	0	113.5	M171	M171-M175 WeakPolarHBondContact O-CB 3.35Å; M171-M175 WeakPolarHBondContact O-CG 3.37Å; M171-M175 PolarHBondContact O-N 2.85Å
176	Y	54.1	Low	48.7	Very low	193 Å²	193	114.6 Å²	114.6	76%	0.757	63%	0.625	S	S	*	*	H	α-helix	trans	-101.2	-7.7	-179.1	-71.7	-71.1	0	0	0	114.2	Q172	Q172-Y176 HydrophobicContact CG-CD2 3.82Å; Q172-Y176 HydrophobicContact CG-CE2 3.97Å; Q172-Y176 WeakPolarHBondContact O-CB 3.44Å; Q172-Y176 VanDerWaalsContact O-CD2 3.22Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.36Å; Q172-Y176 PolarHBondContact O-N 3.31Å
177	G	43.4	Very low	48.9	Very low	46 Å²	46	111 Å²	111	47%	0.474	61%	0.609	S	S	.	*	S	Bend	trans	-158.4	132.2	177.8	0	0	0	0	0	115.5	W173	W173-G177 WeakPolarHBondContact O-CA 3.4Å; W173-G177 PolarHBondContact O-N 3.22Å
178	G	41.1	Very low	49.7	Very low	52 Å²	52	103.3 Å²	103.3	54%	0.536	59%	0.586	S	S	.	*			trans	93.9	111.8	157.9	0	0	0	0	0	115.1	V180	G178-V180 VanDerWaalsContact C-N 3.3Å
179	G	36.1	Very low	50.9	Low	83 Å²	83	104.2 Å²	104.2	86%	0.856	59%	0.587	S	S	*	*			cis	77.5	4.8	21.7	0	0	0	0	0	114
180	V	42.5	Very low	52.4	Low	128 Å²	128	101.4 Å²	101.4	78%	0.776	57%	0.573	S	S	*	*			trans	-141.6	82	176.8	-171.1	0	0	0	0	109.2	G178	G178-V180 VanDerWaalsContact C-N 3.3Å
181	L	38.4	Very low	54	Low	109 Å²	109	97.7 Å²	97.7	57%	0.571	55%	0.552	S	S	*	*			trans	-144.3	116.2	-173.4	-89	158.7	0	0	0	109	L185	L181-L185 HydrophobicContact CD2-CB 3.61Å; L181-L185 HydrophobicContact CD2-CD1 3.24Å; L181-L185 HydrophobicContact CD2-CD2 3.19Å; L181-L185 HydrophobicContact CD2-CG 3.42Å; L181-L185 VanDerWaalsContact CD2-CG 3.42Å; L181-L185 HydrophobicContact CG-CD1 3.97Å
182	G	40.8	Very low	56	Low	66 Å²	66	92.2 Å²	92.2	68%	0.68	53%	0.525	S	S	*	.	S	Bend	trans	-158	-55.3	175.2	0	0	0	0	0	115
183	L	42.2	Very low	57.9	Low	161 Å²	161	87.2 Å²	87.2	84%	0.843	50%	0.502	S	S	*	.	S	Bend	trans	-136.2	-35.8	-176.4	-100.3	100.3	0	0	0	115.3	L185	L183-L185 PolarHBondContact O-N 3.22Å
184	G	45.1	Very low	60	Low	44 Å²	44	78 Å²	78	45%	0.454	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.1	177.8	0	0	0	0	0	114.7	L186 G188	G184-L186 PolarHBondContact O-N 3.29Å; G184-G188 VanDerWaalsContact O-O 3.04Å
185	L	49.4	Very low	61.9	Low	103 Å²	103	73.1 Å²	73.1	54%	0.539	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.4	-170.3	-139.2	117.9	0	0	0	114.9	L181 L183	L181-L185 HydrophobicContact CD2-CB 3.61Å; L181-L185 HydrophobicContact CD2-CD1 3.24Å; L181-L185 HydrophobicContact CD2-CD2 3.19Å; L181-L185 HydrophobicContact CD2-CG 3.42Å; L181-L185 VanDerWaalsContact CD2-CG 3.42Å; L181-L185 HydrophobicContact CG-CD1 3.97Å; L183-L185 PolarHBondContact O-N 3.22Å
186	L	54.9	Low	63.8	Low	150 Å²	150	66.3 Å²	66.3	79%	0.785	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-15.9	176	-77.8	166.6	0	0	0	113.8	G184	G184-L186 PolarHBondContact O-N 3.29Å
187	L	61.2	Low	65.7	Low	29 Å²	29	57.1 Å²	57.1	15%	0.152	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	8.5	-173.1	-80.9	170.9	0	0	0	114.2	V213 S216 E220 M221 A224 Y226	L187-V213 WeakPolarHBondContact O-CG1 3.2Å; L187-S216 WeakPolarHBondContact O-CB 3.25Å; L187-S216 PolarHBondContact O-OG 3.21Å; L187-E220 HydrophobicContact CD2-CB 4.46Å; L187-E220 WeakPolarHBondContact CD2-O 3.43Å; L187-M221 HydrophobicContact CD2-SD 4.06Å; L187-A224 HydrophobicContact CD1-CB 3.67Å; L187-A224 HydrophobicContact CD2-CB 3.64Å; L187-A224 HydrophobicContact CG-CB 4.05Å; L187-Y226 HydrophobicContact CD1-CE2 3.92Å
188	G	72.4	Confident	68.2	Low	20 Å²	20	55.3 Å²	55.3	21%	0.206	36%	0.361	C	S	.	.			trans	80	-176.8	-173.2	0	0	0	0	0	113.3	G184 V214	G184-G188 VanDerWaalsContact O-O 3.04Å; G188-V214 CarbonylContact C-O 3.59Å; G188-V214 VanDerWaalsContact CA-O 3.23Å; G188-V214 WeakPolarHBondContact CA-O 3.46Å
189	L	83.6	Confident	70.7	Confident	103 Å²	103	53.3 Å²	53.3	54%	0.539	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.3	-178.3	-60.7	171.3	0	0	0	109.9	Y191 V213 V214	L189-Y191 HydrophobicContact CB-CD2 4.49Å; L189-Y191 HydrophobicContact CB-CE2 3.57Å; L189-Y191 WeakPolarHBondContact CD1-OH 3.29Å; L189-V213 WeakPolarHBondContact O-CA 3.22Å; L189-V214 HydrophobicContact CB-CB 4.48Å; L189-V214 PolarHBondContact N-O 2.87Å; L189-V214 PolarHBondContact O-N 3.49Å
190	I	89.3	Confident	73.5	Confident	31 Å²	31	51.9 Å²	51.9	16%	0.159	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.3	-176.5	-59.7	172.3	0	0	0	108.8	W211 V212 V213 Y245	I190-W211 HydrophobicContact CG2-CB 4.36Å; I190-W211 HydrophobicContact CG2-CD2 4.35Å; I190-W211 HydrophobicContact CG2-CE3 3.69Å; I190-W211 HydrophobicContact CG2-CZ3 4.35Å; I190-V212 CarbonylContact C-O 3.54Å; I190-V212 WeakPolarHBondContact CA-O 3.49Å; I190-V213 HydrophobicContact CG1-CG1 4.47Å; I190-V213 HydrophobicContact CG1-CG2 4.26Å; I190-Y245 HydrophobicContact CD1-CE1 4.21Å; I190-Y245 HydrophobicContact CG2-CD1 4.32Å; I190-Y245 HydrophobicContact CG2-CE1 3.71Å
191	Y	91.8	Very high	76	Confident	33 Å²	33	49.4 Å²	49.4	13%	0.129	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.5	-179.9	-59.9	-81.8	0	0	0	111.1	L189 W211 V212 V214 L271 Q287 D288 I294	L189-Y191 HydrophobicContact CB-CD2 4.49Å; L189-Y191 HydrophobicContact CB-CE2 3.57Å; L189-Y191 WeakPolarHBondContact CD1-OH 3.29Å; Y191-W211 CarbonylContact O-C 3.51Å; Y191-W211 VanDerWaalsContact O-CA 3.29Å; Y191-W211 WeakPolarHBondContact O-CA 3.36Å; Y191-V212 PolarHBondContact N-O 2.88Å; Y191-V212 PolarHBondContact O-N 3.05Å; Y191-V214 HydrophobicContact CD2-CG2 4.01Å; Y191-V214 HydrophobicContact CE2-CB 4.29Å; Y191-V214 HydrophobicContact CE2-CG2 3.9Å; Y191-L271 HydrophobicContact CD1-CD2 4.01Å; Y191-L271 HydrophobicContact CD2-CD1 3.99Å; Y191-L271 HydrophobicContact CD2-CD2 3.95Å; Y191-L271 HydrophobicContact CD2-CG 4.46Å; Y191-L271 HydrophobicContact CE1-CD2 4.09Å; Y191-L271 HydrophobicContact CE2-CD2 4.01Å; Y191-L271 HydrophobicContact CG-CD1 4.25Å; Y191-L271 HydrophobicContact CG-CD2 3.93Å; Y191-Q287 CarbonylContact C-O 3.53Å; Y191-Q287 WeakPolarHBondContact CA-O 3.37Å; Y191-D288 HydrophobicContact CD1-CB 4.01Å; Y191-D288 HydrophobicContact CE1-CB 3.89Å; Y191-I294 HydrophobicContact CD1-CD1 3.74Å; Y191-I294 HydrophobicContact CE1-CD1 3.36Å
192	L	92.7	Very high	78.6	Confident	18 Å²	18	45.4 Å²	45.4	9%	0.094	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.9	167.2	-176.4	70.4	0	0	0	108.2	A196 V197 R209 W211 A286 Q287	L192-A196 HydrophobicContact CD1-CB 3.74Å; L192-A196 HydrophobicContact CD2-CB 3.99Å; L192-A196 HydrophobicContact CG-CB 3.93Å; L192-V197 HydrophobicContact CB-CG2 4.26Å; L192-V197 HydrophobicContact CD2-CG2 4.11Å; L192-V197 HydrophobicContact CG-CG2 3.91Å; L192-V197 VanDerWaalsContact O-CG2 3.24Å; L192-V197 WeakPolarHBondContact O-CG2 3.25Å; L192-R209 HydrophobicContact CD1-CB 3.8Å; L192-R209 HydrophobicContact CD1-CG 4.09Å; L192-W211 HydrophobicContact CB-CD2 4.49Å; L192-W211 HydrophobicContact CB-CE3 3.84Å; L192-W211 HydrophobicContact CB-CH2 4.09Å; L192-W211 HydrophobicContact CB-CZ3 3.62Å; L192-W211 HydrophobicContact CD1-CD2 4.03Å; L192-W211 HydrophobicContact CD1-CE3 4.21Å; L192-W211 HydrophobicContact CD1-CH2 4.16Å; L192-W211 HydrophobicContact CD1-CZ2 3.95Å; L192-W211 HydrophobicContact CD1-CZ3 4.29Å; L192-A286 CarbonylContact O-C 3.57Å; L192-A286 VanDerWaalsContact O-CA 3.26Å; L192-A286 WeakPolarHBondContact O-CA 3.3Å; L192-Q287 HydrophobicContact CB-CB 4.3Å; L192-Q287 PolarHBondContact N-O 3.23Å; L192-Q287 PolarHBondContact O-N 2.85Å
193	V	91.9	Very high	81.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.4	-173	-66	0	0	0	0	114	G195 D210 V212 L285 A286	V193-G195 PolarHBondContact O-N 3.21Å; V193-D210 HydrophobicContact CG2-CB 4.11Å; V193-D210 VanDerWaalsContact CG2-O 3.26Å; V193-D210 WeakPolarHBondContact CG2-O 3.32Å; V193-D210 PolarHBondContact N-O 3.48Å; V193-V212 HydrophobicContact CB-CG2 4.3Å; V193-V212 HydrophobicContact CG1-CB 3.93Å; V193-V212 HydrophobicContact CG1-CG2 3.81Å; V193-V212 HydrophobicContact CG2-CB 4.4Å; V193-V212 HydrophobicContact CG2-CG2 3.61Å; V193-L285 WeakPolarHBondContact CA-O 3.32Å; V193-A286 HydrophobicContact CG1-CB 3.9Å
194	G	89.2	Confident	83.4	Confident	2 Å²	2	40 Å²	40	2%	0.021	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-119	160.5	0	0	0	0	0	114.5	A196 V197 R198 N283 L285	G194-A196 VanDerWaalsContact C-N 3.32Å; G194-A196 PolarHBondContact O-N 3.35Å; G194-V197 PolarHBondContact O-N 3.48Å; G194-R198 WeakPolarHBondContact O-CB 3.43Å; G194-R198 PolarHBondContact O-N 2.87Å; G194-N283 VanDerWaalsContact CA-O 3.29Å; G194-N283 WeakPolarHBondContact CA-O 3.43Å; G194-L285 PolarHBondContact N-O 3.16Å
195	G	89.6	Confident	85.6	Confident	20 Å²	20	43 Å²	43	21%	0.206	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-38.8	-168.8	0	0	0	0	0	113.5	V193 D199	V193-G195 PolarHBondContact O-N 3.21Å; G195-D199 WeakPolarHBondContact O-CB 3.36Å; G195-D199 VanDerWaalsContact O-CG 3.23Å; G195-D199 PolarHBondContact O-N 3.45Å
196	A	91.1	Very high	87.5	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-49.2	179	0	0	0	0	0	112	L192 G194 A200 V206 R209	L192-A196 HydrophobicContact CD1-CB 3.74Å; L192-A196 HydrophobicContact CD2-CB 3.99Å; L192-A196 HydrophobicContact CG-CB 3.93Å; G194-A196 VanDerWaalsContact C-N 3.32Å; G194-A196 PolarHBondContact O-N 3.35Å; A196-A200 WeakPolarHBondContact O-CB 3.39Å; A196-A200 PolarHBondContact O-N 3.18Å; A196-V206 HydrophobicContact CB-CG1 3.79Å; A196-V206 WeakPolarHBondContact O-CG2 3.49Å; A196-R209 HydrophobicContact CB-CG 4.46Å
197	V	94.1	Very high	88.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-49.7	179.7	-177.2	0	0	0	0	110.5	L192 G194 D199 A200 L201 L285 Q287 I293	L192-V197 HydrophobicContact CB-CG2 4.26Å; L192-V197 HydrophobicContact CD2-CG2 4.11Å; L192-V197 HydrophobicContact CG-CG2 3.91Å; L192-V197 VanDerWaalsContact O-CG2 3.24Å; L192-V197 WeakPolarHBondContact O-CG2 3.25Å; G194-V197 PolarHBondContact O-N 3.48Å; V197-D199 PolarHBondContact O-N 3.21Å; V197-A200 PolarHBondContact O-N 3.26Å; V197-L201 HydrophobicContact CG1-CD1 3.86Å; V197-L201 HydrophobicContact CG1-CG 4.46Å; V197-L201 WeakPolarHBondContact O-CB 3.44Å; V197-L201 VanDerWaalsContact O-CG 3.25Å; V197-L201 WeakPolarHBondContact O-CG 3.47Å; V197-L201 PolarHBondContact O-N 3.19Å; V197-L285 HydrophobicContact CB-CB 4.32Å; V197-L285 HydrophobicContact CG1-CB 3.8Å; V197-L285 HydrophobicContact CG1-CD1 4.5Å; V197-Q287 HydrophobicContact CG2-CB 3.99Å; V197-I293 HydrophobicContact CG1-CD1 3.82Å
198	R	95.2	Very high	89.9	Confident	8 Å²	8	46 Å²	46	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-50.4	178.8	-178.4	-158.4	60.9	-128.2	-5.1	112.4	G194 A200 L201 L202 I282 N283 L303 Y332	G194-R198 WeakPolarHBondContact O-CB 3.43Å; G194-R198 PolarHBondContact O-N 2.87Å; R198-A200 VanDerWaalsContact C-N 3.33Å; R198-L201 PolarHBondContact O-N 2.95Å; R198-L202 HydrophobicContact CG-CD1 4.13Å; R198-L202 VanDerWaalsContact O-CG 3.3Å; R198-L202 WeakPolarHBondContact O-CG 3.48Å; R198-L202 PolarHBondContact O-N 2.95Å; R198-I282 WeakPolarHBondContact CB-O 3.34Å; R198-I282 HydrophobicContact CG-CB 4.26Å; R198-I282 HydrophobicContact CG-CD1 4.38Å; R198-I282 HydrophobicContact CG-CG1 4.44Å; R198-N283 PolarHBondContact NH1-OD1 2.83Å; R198-L303 HydrophobicContact CG-CD1 3.84Å; R198-Y332 PolarHBondContact NE-OH 3.06Å; R198-Y332 PolarHBondContact NH2-OH 3.35Å
199	D	94.2	Very high	90.7	Very high	9 Å²	9	51 Å²	51	5%	0.048	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-36.6	-176.6	-70.4	-13.6	0	0	0	110.5	G195 V197 L202 G203 L204 R331 Y332	G195-D199 WeakPolarHBondContact O-CB 3.36Å; G195-D199 VanDerWaalsContact O-CG 3.23Å; G195-D199 PolarHBondContact O-N 3.45Å; V197-D199 PolarHBondContact O-N 3.21Å; D199-L202 PolarHBondContact O-N 3.02Å; D199-G203 PolarHBondContact O-N 3.48Å; D199-L204 HydrophobicContact CB-CB 4.05Å; D199-L204 PolarHBondContact O-N 3.04Å; D199-R331 IonicContact OD1-NH2 3.57Å; D199-R331 IonicContact OD2-CZ 2.92Å; D199-R331 IonicContact OD2-NH1 3.49Å; D199-R331 IonicContact OD2-NH2 3.22Å; D199-R331 PolarHBondContact OD2-NH2 2.89Å; D199-Y332 PolarHBondContact OD1-OH 3.44Å
200	A	94	Very high	91.1	Very high	54 Å²	54	49 Å²	49	45%	0.446	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-47.2	172	0	0	0	0	0	112.3	A196 V197 R198 L202 G203 V206	A196-A200 WeakPolarHBondContact O-CB 3.39Å; A196-A200 PolarHBondContact O-N 3.18Å; V197-A200 PolarHBondContact O-N 3.26Å; R198-A200 VanDerWaalsContact C-N 3.33Å; A200-L202 PolarHBondContact O-N 3.31Å; A200-G203 PolarHBondContact O-N 3Å; A200-V206 HydrophobicContact CB-CG2 3.97Å
201	L	94.3	Very high	91.2	Very high	76 Å²	76	49.6 Å²	49.6	40%	0.398	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-25.1	177.4	-69.7	169.6	0	0	0	113.1	V197 R198 G203 L285 L300 L303	V197-L201 HydrophobicContact CG1-CD1 3.86Å; V197-L201 HydrophobicContact CG1-CG 4.46Å; V197-L201 WeakPolarHBondContact O-CB 3.44Å; V197-L201 VanDerWaalsContact O-CG 3.25Å; V197-L201 WeakPolarHBondContact O-CG 3.47Å; V197-L201 PolarHBondContact O-N 3.19Å; R198-L201 PolarHBondContact O-N 2.95Å; L201-G203 VanDerWaalsContact C-N 3.34Å; L201-L285 HydrophobicContact CD1-CD1 3.71Å; L201-L300 HydrophobicContact CD1-CD2 3.68Å; L201-L303 HydrophobicContact CB-CD2 3.46Å; L201-L303 VanDerWaalsContact CB-CD2 3.46Å; L201-L303 HydrophobicContact CD1-CD2 4.08Å; L201-L303 HydrophobicContact CG-CD2 4.43Å
202	L	93.5	Very high	91.1	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.131	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.4	172.9	-70.2	175.5	0	0	0	113.8	R198 D199 A200 L204 L303 Y332 L335 F337	R198-L202 HydrophobicContact CG-CD1 4.13Å; R198-L202 VanDerWaalsContact O-CG 3.3Å; R198-L202 WeakPolarHBondContact O-CG 3.48Å; R198-L202 PolarHBondContact O-N 2.95Å; D199-L202 PolarHBondContact O-N 3.02Å; A200-L202 PolarHBondContact O-N 3.31Å; L202-L204 VanDerWaalsContact C-N 3.27Å; L202-L204 HydrophobicContact CB-CD1 3.99Å; L202-L204 HydrophobicContact CB-CG 3.88Å; L202-L204 HydrophobicContact CD1-CD1 4Å; L202-L204 PolarHBondContact O-N 3.48Å; L202-L303 HydrophobicContact CD1-CD1 4.05Å; L202-L303 HydrophobicContact CD2-CD1 3.75Å; L202-L303 HydrophobicContact CD2-CD2 4.24Å; L202-L303 HydrophobicContact CD2-CG 3.86Å; L202-L303 HydrophobicContact CG-CD1 3.83Å; L202-L303 HydrophobicContact CG-CD2 4.32Å; L202-L303 HydrophobicContact CG-CG 4.28Å; L202-Y332 HydrophobicContact CD1-CD1 4.38Å; L202-Y332 HydrophobicContact CD1-CE1 4.02Å; L202-L335 HydrophobicContact CD1-CD1 4.22Å; L202-F337 HydrophobicContact CD1-CE2 4.5Å; L202-F337 HydrophobicContact CD1-CZ 4.43Å; L202-F337 HydrophobicContact CD2-CE2 4.12Å; L202-F337 HydrophobicContact CD2-CZ 4.1Å
203	G	93.1	Very high	91	Very high	68 Å²	68	47.3 Å²	47.3	70%	0.701	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	24.2	-172.9	0	0	0	0	0	113.5	D199 A200 L201	D199-G203 PolarHBondContact O-N 3.48Å; A200-G203 PolarHBondContact O-N 3Å; L201-G203 VanDerWaalsContact C-N 3.34Å
204	L	91.8	Very high	90.9	Very high	45 Å²	45	48.2 Å²	48.2	24%	0.236	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-93.3	153.4	176.9	-61.9	176	0	0	0	110.7	D199 L202 V206 Y332 L335	D199-L204 HydrophobicContact CB-CB 4.05Å; D199-L204 PolarHBondContact O-N 3.04Å; L202-L204 VanDerWaalsContact C-N 3.27Å; L202-L204 HydrophobicContact CB-CD1 3.99Å; L202-L204 HydrophobicContact CB-CG 3.88Å; L202-L204 HydrophobicContact CD1-CD1 4Å; L202-L204 PolarHBondContact O-N 3.48Å; L204-V206 PolarHBondContact O-N 3.25Å; L204-Y332 HydrophobicContact CD1-CD1 4.46Å; L204-Y332 HydrophobicContact CD1-CE1 3.77Å; L204-L335 HydrophobicContact CD1-CD1 4.2Å
205	P	90.4	Very high	90.7	Very high	106 Å²	106	50 Å²	50	69%	0.688	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-59.8	123.9	173.2	-22.6	33.2	0	0	0	111.6	K207	P205-K207 PolarHBondContact O-N 3.32Å
206	V	88.6	Confident	90.5	Very high	55 Å²	55	49.1 Å²	49.1	33%	0.333	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-78.6	117.4	171.8	178.4	0	0	0	0	108.2	A196 A200 L204 R209	A196-V206 HydrophobicContact CB-CG1 3.79Å; A196-V206 WeakPolarHBondContact O-CG2 3.49Å; A200-V206 HydrophobicContact CB-CG2 3.97Å; L204-V206 PolarHBondContact O-N 3.25Å; V206-R209 HydrophobicContact CG1-CG 4.17Å
207	K	82.5	Confident	90.2	Very high	174 Å²	174	51 Å²	51	76%	0.757	29%	0.293	S	S	*	.			trans	-88.4	-48.7	180	-67	-174.3	177.2	-174	0	112	P205	P205-K207 PolarHBondContact O-N 3.32Å
208	D	84.7	Confident	89.8	Confident	118 Å²	118	53.3 Å²	53.3	63%	0.631	31%	0.308	S	S	*	.			trans	-127.5	141	-173.3	-50.8	-61.2	0	0	0	108.6
209	R	89.7	Confident	89.3	Confident	125 Å²	125	58.2 Å²	58.2	47%	0.472	33%	0.332	S	S	.	.			trans	-110.6	113.7	174.9	-67.7	-164.8	-177.8	100.9	-0.6	109	L192 A196 V206 E243	L192-R209 HydrophobicContact CD1-CB 3.8Å; L192-R209 HydrophobicContact CD1-CG 4.09Å; A196-R209 HydrophobicContact CB-CG 4.46Å; V206-R209 HydrophobicContact CG1-CG 4.17Å; R209-E243 HydrophobicContact CB-CG 4.49Å; R209-E243 WeakPolarHBondContact CD-OE1 3.33Å; R209-E243 IonicContact NH1-OE1 3.93Å; R209-E243 PolarHBondContact NH1-OE1 2.96Å
210	D	90.6	Very high	89	Confident	59 Å²	59	61.7 Å²	61.7	32%	0.316	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126	176.1	-57	-19.1	0	0	0	108.2	V193	V193-D210 HydrophobicContact CG2-CB 4.11Å; V193-D210 VanDerWaalsContact CG2-O 3.26Å; V193-D210 WeakPolarHBondContact CG2-O 3.32Å; V193-D210 PolarHBondContact N-O 3.48Å
211	W	91.9	Very high	88.6	Confident	44 Å²	44	59.1 Å²	59.1	17%	0.167	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.9	-179.8	-58.2	92.8	0	0	0	110.5	I190 Y191 L192 E243 E244 Y245 A246	I190-W211 HydrophobicContact CG2-CB 4.36Å; I190-W211 HydrophobicContact CG2-CD2 4.35Å; I190-W211 HydrophobicContact CG2-CE3 3.69Å; I190-W211 HydrophobicContact CG2-CZ3 4.35Å; Y191-W211 CarbonylContact O-C 3.51Å; Y191-W211 VanDerWaalsContact O-CA 3.29Å; Y191-W211 WeakPolarHBondContact O-CA 3.36Å; L192-W211 HydrophobicContact CB-CD2 4.49Å; L192-W211 HydrophobicContact CB-CE3 3.84Å; L192-W211 HydrophobicContact CB-CH2 4.09Å; L192-W211 HydrophobicContact CB-CZ3 3.62Å; L192-W211 HydrophobicContact CD1-CD2 4.03Å; L192-W211 HydrophobicContact CD1-CE3 4.21Å; L192-W211 HydrophobicContact CD1-CH2 4.16Å; L192-W211 HydrophobicContact CD1-CZ2 3.95Å; L192-W211 HydrophobicContact CD1-CZ3 4.29Å; W211-E243 PolarHBondContact NE1-OE2 2.71Å; W211-E244 PolarHBondContact N-O 3.42Å; W211-Y245 HydrophobicContact CB-CD1 3.65Å; W211-Y245 HydrophobicContact CB-CD2 4.04Å; W211-Y245 HydrophobicContact CB-CE1 3.73Å; W211-Y245 HydrophobicContact CB-CE2 4.11Å; W211-Y245 HydrophobicContact CB-CG 3.8Å; W211-Y245 AromaticContact CD1-CD2 3.84Å; W211-Y245 AromaticContact CD1-CE2 3.34Å; W211-Y245 AromaticContact CD1-CZ 3.57Å; W211-Y245 HydrophobicContact CD2-CE1 4.4Å; W211-Y245 HydrophobicContact CG-CD1 4.25Å; W211-Y245 HydrophobicContact CG-CD2 4.18Å; W211-Y245 AromaticContact CG-CE1 3.87Å; W211-Y245 HydrophobicContact CG-CE1 3.87Å; W211-Y245 AromaticContact CG-CE2 3.78Å; W211-Y245 HydrophobicContact CG-CE2 3.78Å; W211-Y245 HydrophobicContact CG-CG 4.38Å; W211-Y245 AromaticContact CG-CZ 3.61Å; W211-Y245 AromaticContact NE1-CE2 3.91Å; W211-Y245 AromaticContact NE1-CZ 3.97Å; W211-Y245 CarbonylContact O-C 3.44Å; W211-Y245 WeakPolarHBondContact O-CA 3.26Å; W211-A246 PolarHBondContact O-N 2.9Å
212	V	90.8	Very high	88.3	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.9	170.9	167.5	0	0	0	0	109.2	I190 Y191 V193 V214 A246 A248 L271	I190-V212 CarbonylContact C-O 3.54Å; I190-V212 WeakPolarHBondContact CA-O 3.49Å; Y191-V212 PolarHBondContact N-O 2.88Å; Y191-V212 PolarHBondContact O-N 3.05Å; V193-V212 HydrophobicContact CB-CG2 4.3Å; V193-V212 HydrophobicContact CG1-CB 3.93Å; V193-V212 HydrophobicContact CG1-CG2 3.81Å; V193-V212 HydrophobicContact CG2-CB 4.4Å; V193-V212 HydrophobicContact CG2-CG2 3.61Å; V212-V214 HydrophobicContact CG1-CG2 4.08Å; V212-A246 CarbonylContact C-O 3.52Å; V212-A246 VanDerWaalsContact CA-O 3.3Å; V212-A246 WeakPolarHBondContact CA-O 3.27Å; V212-A248 HydrophobicContact CG1-CB 4.03Å; V212-L271 HydrophobicContact CG1-CD1 4.16Å
213	V	90.6	Very high	88.1	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.2	177.6	-172.7	0	0	0	0	109	L187 L189 I190 M221 Y245 A246 L247 A248	L187-V213 WeakPolarHBondContact O-CG1 3.2Å; L189-V213 WeakPolarHBondContact O-CA 3.22Å; I190-V213 HydrophobicContact CG1-CG1 4.47Å; I190-V213 HydrophobicContact CG1-CG2 4.26Å; V213-M221 HydrophobicContact CB-SD 4.43Å; V213-M221 HydrophobicContact CG1-SD 4.12Å; V213-M221 HydrophobicContact CG2-CE 4Å; V213-M221 HydrophobicContact CG2-SD 4.18Å; V213-Y245 HydrophobicContact CG2-CD1 3.69Å; V213-Y245 HydrophobicContact CG2-CG 4.45Å; V213-A246 PolarHBondContact N-O 2.98Å; V213-L247 HydrophobicContact CB-CD2 4.11Å; V213-L247 HydrophobicContact CG1-CD2 4.31Å; V213-A248 PolarHBondContact O-N 3.31Å
214	V	88.6	Confident	87.8	Confident	20 Å²	20	62.3 Å²	62.3	12%	0.121	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.2	-178.1	179.4	0	0	0	0	109.1	G188 L189 Y191 V212 A248 L271	G188-V214 CarbonylContact C-O 3.59Å; G188-V214 VanDerWaalsContact CA-O 3.23Å; G188-V214 WeakPolarHBondContact CA-O 3.46Å; L189-V214 HydrophobicContact CB-CB 4.48Å; L189-V214 PolarHBondContact N-O 2.87Å; L189-V214 PolarHBondContact O-N 3.49Å; Y191-V214 HydrophobicContact CD2-CG2 4.01Å; Y191-V214 HydrophobicContact CE2-CB 4.29Å; Y191-V214 HydrophobicContact CE2-CG2 3.9Å; V212-V214 HydrophobicContact CG1-CG2 4.08Å; V214-A248 HydrophobicContact CG2-CB 3.94Å; V214-L271 HydrophobicContact CG2-CB 4.01Å; V214-L271 HydrophobicContact CG2-CD1 4.35Å
215	G	86	Confident	87.7	Confident	38 Å²	38	62.2 Å²	62.2	39%	0.392	34%	0.344	S	S	.	.	S	Bend	trans	81.8	18.2	177.8	0	0	0	0	0	114.9
216	S	85.1	Confident	87.6	Confident	3 Å²	3	58 Å²	58	2%	0.021	31%	0.314	C	S	.	.			trans	-120.2	158.7	178.7	-166.2	0	0	0	0	111.7	L187	L187-S216 WeakPolarHBondContact O-CB 3.25Å; L187-S216 PolarHBondContact O-OG 3.21Å
217	T	84.7	Confident	87.6	Confident	40 Å²	40	61.3 Å²	61.3	25%	0.245	33%	0.326	C	S	.	.			trans	-107.9	157.4	176.2	63.4	0	0	0	0	111.5	Q219 E220 M221 P267	T217-Q219 PolarHBondContact O-N 3.45Å; T217-E220 WeakPolarHBondContact CB-OE2 3.45Å; T217-E220 WeakPolarHBondContact CG2-OE2 3.43Å; T217-E220 PolarHBondContact N-OE2 3.45Å; T217-E220 PolarHBondContact O-N 3.1Å; T217-E220 VanDerWaalsContact OG1-CG 3.26Å; T217-E220 WeakPolarHBondContact OG1-CG 3.33Å; T217-E220 PolarHBondContact OG1-N 3.44Å; T217-E220 PolarHBondContact OG1-OE2 2.76Å; T217-M221 WeakPolarHBondContact O-CG 3.23Å; T217-M221 PolarHBondContact O-N 3.24Å; T217-M221 VanDerWaalsContact O-N 3.14Å; T217-P267 HydrophobicContact CG2-CG 3.57Å
218	P	85.6	Confident	87.9	Confident	49 Å²	49	57 Å²	57	32%	0.318	31%	0.309	S	S	.	.	H	α-helix	trans	-53.2	-36.7	172.9	-29.4	36.4	0	0	0	113.4	L222 F236 L247	P218-L222 VanDerWaalsContact O-CG 3.28Å; P218-L222 WeakPolarHBondContact O-CG 3.42Å; P218-L222 PolarHBondContact O-N 2.88Å; P218-L222 VanDerWaalsContact O-N 3.1Å; P218-F236 HydrophobicContact CB-CZ 3.93Å; P218-L247 HydrophobicContact CB-CD1 4.34Å; P218-L247 VanDerWaalsContact CD-CD1 3.44Å; P218-L247 HydrophobicContact CG-CD1 3.62Å
219	Q	84.9	Confident	87.9	Confident	111 Å²	111	54.6 Å²	54.6	52%	0.519	30%	0.298	S	S	.	.	H	α-helix	trans	-69.2	-43.6	-179.7	-171	61.5	52.4	0	0	111.7	T217 M221 L222 D223	T217-Q219 PolarHBondContact O-N 3.45Å; Q219-M221 VanDerWaalsContact C-N 3.31Å; Q219-M221 PolarHBondContact O-N 3.37Å; Q219-L222 PolarHBondContact O-N 2.58Å; Q219-D223 PolarHBondContact NE2-OD1 2.8Å; Q219-D223 WeakPolarHBondContact O-CB 3.5Å; Q219-D223 PolarHBondContact O-N 3.27Å
220	E	87	Confident	87	Confident	82 Å²	82	51.1 Å²	51.1	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-39.4	176.5	-73	159.9	156.1	0	0	111.8	L187 T217 D223 A224	L187-E220 HydrophobicContact CD2-CB 4.46Å; L187-E220 WeakPolarHBondContact CD2-O 3.43Å; T217-E220 WeakPolarHBondContact CB-OE2 3.45Å; T217-E220 WeakPolarHBondContact CG2-OE2 3.43Å; T217-E220 PolarHBondContact N-OE2 3.45Å; T217-E220 PolarHBondContact O-N 3.1Å; T217-E220 VanDerWaalsContact OG1-CG 3.26Å; T217-E220 WeakPolarHBondContact OG1-CG 3.33Å; T217-E220 PolarHBondContact OG1-N 3.44Å; T217-E220 PolarHBondContact OG1-OE2 2.76Å; E220-D223 PolarHBondContact O-N 3.04Å; E220-A224 WeakPolarHBondContact O-CB 3.42Å; E220-A224 PolarHBondContact O-N 3.41Å
221	M	86.8	Confident	85.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-46.1	173.8	-66.8	-67.2	-70.7	0	0	111.8	L187 V213 T217 Q219 A224 G225 Y226 F236 L247	L187-M221 HydrophobicContact CD2-SD 4.06Å; V213-M221 HydrophobicContact CB-SD 4.43Å; V213-M221 HydrophobicContact CG1-SD 4.12Å; V213-M221 HydrophobicContact CG2-CE 4Å; V213-M221 HydrophobicContact CG2-SD 4.18Å; T217-M221 WeakPolarHBondContact O-CG 3.23Å; T217-M221 PolarHBondContact O-N 3.24Å; T217-M221 VanDerWaalsContact O-N 3.14Å; Q219-M221 VanDerWaalsContact C-N 3.31Å; Q219-M221 PolarHBondContact O-N 3.37Å; M221-A224 PolarHBondContact O-N 2.84Å; M221-G225 PolarHBondContact O-N 2.7Å; M221-Y226 HydrophobicContact CE-CD1 3.53Å; M221-Y226 HydrophobicContact CE-CD2 4.11Å; M221-Y226 HydrophobicContact CE-CE1 3.63Å; M221-Y226 HydrophobicContact CE-CE2 4.2Å; M221-Y226 HydrophobicContact CE-CG 3.77Å; M221-Y226 VanDerWaalsContact O-CB 3.27Å; M221-Y226 WeakPolarHBondContact O-CB 3.48Å; M221-Y226 WeakPolarHBondContact O-CD2 3.45Å; M221-Y226 PolarHBondContact O-N 3.47Å; M221-F236 HydrophobicContact CB-CD1 3.97Å; M221-F236 HydrophobicContact CB-CD2 4.27Å; M221-F236 HydrophobicContact CB-CE1 3.92Å; M221-F236 HydrophobicContact CB-CE2 4.22Å; M221-F236 HydrophobicContact CB-CG 4.17Å; M221-F236 HydrophobicContact CB-CZ 4.07Å; M221-F236 HydrophobicContact CE-CB 4.04Å; M221-F236 HydrophobicContact CE-CD2 4.09Å; M221-F236 HydrophobicContact CE-CG 4.15Å; M221-F236 HydrophobicContact CG-CD2 4.26Å; M221-F236 HydrophobicContact CG-CE2 4.21Å; M221-F236 HydrophobicContact CG-CZ 4.48Å; M221-L247 HydrophobicContact CG-CD2 3.88Å; M221-L247 HydrophobicContact CG-CG 4.45Å; M221-L247 HydrophobicContact SD-CD2 4.38Å
222	L	87.7	Confident	84.5	Confident	70 Å²	70	63.6 Å²	63.6	37%	0.366	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-41.3	177.2	-69.3	171.6	0	0	0	112	P218 Q219 A224 G225 Q228 F236	P218-L222 VanDerWaalsContact O-CG 3.28Å; P218-L222 WeakPolarHBondContact O-CG 3.42Å; P218-L222 PolarHBondContact O-N 2.88Å; P218-L222 VanDerWaalsContact O-N 3.1Å; Q219-L222 PolarHBondContact O-N 2.58Å; L222-A224 PolarHBondContact O-N 2.75Å; L222-G225 WeakPolarHBondContact O-CA 3.38Å; L222-G225 PolarHBondContact O-N 3.47Å; L222-Q228 HydrophobicContact CD2-CB 4.34Å; L222-F236 HydrophobicContact CD2-CD1 4.42Å; L222-F236 HydrophobicContact CD2-CE1 4.08Å; L222-F236 HydrophobicContact CG-CE1 4.09Å
223	D	88.6	Confident	83.4	Confident	118 Å²	118	66 Å²	66	63%	0.631	36%	0.364	S	S	*	.	H	α-helix	trans	-65.2	-30.5	179	-69	-14	0	0	0	111.6	Q219 E220 G225	Q219-D223 PolarHBondContact NE2-OD1 2.8Å; Q219-D223 WeakPolarHBondContact O-CB 3.5Å; Q219-D223 PolarHBondContact O-N 3.27Å; E220-D223 PolarHBondContact O-N 3.04Å; D223-G225 PolarHBondContact O-N 3.25Å
224	A	87.1	Confident	82.8	Confident	47 Å²	47	66.5 Å²	66.5	39%	0.388	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.4	170.6	0	0	0	0	0	114.5	L187 E220 M221 L222 Y226	L187-A224 HydrophobicContact CD1-CB 3.67Å; L187-A224 HydrophobicContact CD2-CB 3.64Å; L187-A224 HydrophobicContact CG-CB 4.05Å; E220-A224 WeakPolarHBondContact O-CB 3.42Å; E220-A224 PolarHBondContact O-N 3.41Å; M221-A224 PolarHBondContact O-N 2.84Å; L222-A224 PolarHBondContact O-N 2.75Å; A224-Y226 HydrophobicContact CB-CD2 4.05Å; A224-Y226 HydrophobicContact CB-CE2 4.22Å
225	G	88.9	Confident	82.6	Confident	44 Å²	44	66.9 Å²	66.9	45%	0.454	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	11.2	175.3	0	0	0	0	0	114.9	M221 L222 D223 P239	M221-G225 PolarHBondContact O-N 2.7Å; L222-G225 WeakPolarHBondContact O-CA 3.38Å; L222-G225 PolarHBondContact O-N 3.47Å; D223-G225 PolarHBondContact O-N 3.25Å; G225-P239 WeakPolarHBondContact O-CB 3.3Å
226	Y	89.4	Confident	82.8	Confident	16 Å²	16	65 Å²	65	6%	0.063	35%	0.351	C	S	.	.			trans	-70.1	149.1	171.6	-72.2	-110.3	0	0	0	111.4	L187 M221 A224 F236 L237 H238 Y245	L187-Y226 HydrophobicContact CD1-CE2 3.92Å; M221-Y226 HydrophobicContact CE-CD1 3.53Å; M221-Y226 HydrophobicContact CE-CD2 4.11Å; M221-Y226 HydrophobicContact CE-CE1 3.63Å; M221-Y226 HydrophobicContact CE-CE2 4.2Å; M221-Y226 HydrophobicContact CE-CG 3.77Å; M221-Y226 VanDerWaalsContact O-CB 3.27Å; M221-Y226 WeakPolarHBondContact O-CB 3.48Å; M221-Y226 WeakPolarHBondContact O-CD2 3.45Å; M221-Y226 PolarHBondContact O-N 3.47Å; A224-Y226 HydrophobicContact CB-CD2 4.05Å; A224-Y226 HydrophobicContact CB-CE2 4.22Å; Y226-F236 HydrophobicContact CD1-CB 4Å; Y226-F236 HydrophobicContact CG-CB 4.37Å; Y226-L237 WeakPolarHBondContact CA-O 3.4Å; Y226-H238 HydrophobicContact CD1-CB 4.32Å; Y226-H238 HydrophobicContact CE1-CB 3.89Å; Y226-H238 AromaticContact CE1-CD2 3.81Å; Y226-H238 AromaticContact CZ-CD2 3.62Å; Y226-H238 PolarHBondContact OH-CD2 3.19Å; Y226-Y245 HydrophobicContact CD1-CG 4.3Å; Y226-Y245 AromaticContact CE1-CD1 3.71Å; Y226-Y245 HydrophobicContact CE1-CD1 3.71Å; Y226-Y245 AromaticContact CE1-CD2 3.75Å; Y226-Y245 HydrophobicContact CE1-CD2 3.75Å; Y226-Y245 HydrophobicContact CE1-CE1 4.2Å; Y226-Y245 HydrophobicContact CE1-CE2 4.24Å; Y226-Y245 AromaticContact CE1-CG 3.47Å; Y226-Y245 HydrophobicContact CE1-CG 3.47Å; Y226-Y245 VanDerWaalsContact CE1-CG 3.47Å; Y226-Y245 WeakPolarHBondContact OH-CE1 3.2Å
227	Q	89.3	Confident	83.1	Confident	125 Å²	125	66.7 Å²	66.7	58%	0.584	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.5	179.1	-176.4	179.7	-15	0	0	111.1	F236 L237	Q227-F236 CarbonylContact O-C 3.46Å; Q227-F236 VanDerWaalsContact O-CA 3.28Å; Q227-F236 WeakPolarHBondContact O-CA 3.44Å; Q227-L237 PolarHBondContact N-O 2.97Å; Q227-L237 PolarHBondContact O-N 2.79Å
228	Q	88.9	Confident	83.3	Confident	83 Å²	83	66.5 Å²	66.5	39%	0.388	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	137.1	177.4	-168	176.5	6.3	0	0	112.2	L222 V235 F236	L222-Q228 HydrophobicContact CD2-CB 4.34Å; Q228-V235 WeakPolarHBondContact CA-O 3.5Å; Q228-F236 HydrophobicContact CB-CD1 3.82Å; Q228-F236 HydrophobicContact CB-CE1 3.72Å; Q228-F236 HydrophobicContact CG-CD1 4.25Å; Q228-F236 HydrophobicContact CG-CE1 3.93Å; Q228-F236 HydrophobicContact CG-CZ 4.31Å
229	V	83.9	Confident	83.3	Confident	68 Å²	68	67.1 Å²	67.1	41%	0.412	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.4	176.6	-170.2	0	0	0	0	109.9	V235 L237	V229-V235 PolarHBondContact N-O 2.97Å; V229-L237 HydrophobicContact CG2-CD1 3.54Å; V229-L237 HydrophobicContact CG2-CD2 4.31Å; V229-L237 HydrophobicContact CG2-CG 3.49Å; V229-L237 VanDerWaalsContact CG2-CG 3.49Å
230	G	71.4	Confident	83.3	Confident	53 Å²	53	69.8 Å²	69.8	55%	0.546	37%	0.372	S	S	.	.			trans	83.9	152.8	-174.4	0	0	0	0	0	112.5
231	R	64.1	Low	83.4	Confident	238 Å²	238	69.3 Å²	69.3	90%	0.898	38%	0.375	S	S	*	.	S	Bend	trans	-93.1	-33.9	-177.6	-68.6	-175.1	179	176.4	-0.1	112.9
232	D	65.2	Low	83.4	Confident	126 Å²	126	75 Å²	75	67%	0.674	40%	0.401	S	S	*	.	S	Bend	trans	-96.5	-13	-166.8	-52.9	-46.1	0	0	0	113.3
233	F	67	Low	83.5	Confident	52 Å²	52	73.6 Å²	73.6	23%	0.228	39%	0.393	C	S	.	.	S	Bend	trans	-133.3	133.4	-176.6	-63.8	-70.9	0	0	0	110.2	V235 C263	F233-V235 HydrophobicContact CB-CG2 4.25Å; F233-V235 PolarHBondContact O-N 2.8Å; F233-C263 HydrophobicContact CD1-CB 4.36Å; F233-C263 HydrophobicContact CE1-CB 4.4Å
234	P	78.7	Confident	83.6	Confident	14 Å²	14	72.9 Å²	72.9	9%	0.091	39%	0.386	C	S	.	.			trans	-78.9	69.8	-179.2	32.9	-35.2	0	0	0	110.8	F236 L247 A265	P234-F236 HydrophobicContact CB-CE2 3.86Å; P234-F236 HydrophobicContact CB-CZ 4.37Å; P234-F236 WeakPolarHBondContact O-CD2 3.45Å; P234-F236 WeakPolarHBondContact O-CE2 3.34Å; P234-L247 HydrophobicContact CB-CB 4.27Å; P234-L247 HydrophobicContact CB-CD1 4Å; P234-L247 HydrophobicContact CB-CG 4.37Å; P234-L247 HydrophobicContact CG-CB 4.08Å; P234-L247 PolarHBondContact O-N 3.28Å; P234-L247 VanDerWaalsContact O-N 3.12Å; P234-A265 HydrophobicContact CG-CB 3.6Å
235	V	84.8	Confident	83.7	Confident	27 Å²	27	71.6 Å²	71.6	16%	0.164	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.4	171.6	-176.2	0	0	0	0	108.4	Q228 V229 F233 E244 A246	Q228-V235 WeakPolarHBondContact CA-O 3.5Å; V229-V235 PolarHBondContact N-O 2.97Å; F233-V235 HydrophobicContact CB-CG2 4.25Å; F233-V235 PolarHBondContact O-N 2.8Å; V235-E244 HydrophobicContact CG1-CB 4.38Å; V235-A246 HydrophobicContact CG2-CB 4.24Å
236	F	90	Very high	83.7	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.3	-174.9	-59.7	-94.7	0	0	0	110.7	P218 M221 L222 Y226 Q227 Q228 P234 Y245 L247	P218-F236 HydrophobicContact CB-CZ 3.93Å; M221-F236 HydrophobicContact CB-CD1 3.97Å; M221-F236 HydrophobicContact CB-CD2 4.27Å; M221-F236 HydrophobicContact CB-CE1 3.92Å; M221-F236 HydrophobicContact CB-CE2 4.22Å; M221-F236 HydrophobicContact CB-CG 4.17Å; M221-F236 HydrophobicContact CB-CZ 4.07Å; M221-F236 HydrophobicContact CE-CB 4.04Å; M221-F236 HydrophobicContact CE-CD2 4.09Å; M221-F236 HydrophobicContact CE-CG 4.15Å; M221-F236 HydrophobicContact CG-CD2 4.26Å; M221-F236 HydrophobicContact CG-CE2 4.21Å; M221-F236 HydrophobicContact CG-CZ 4.48Å; L222-F236 HydrophobicContact CD2-CD1 4.42Å; L222-F236 HydrophobicContact CD2-CE1 4.08Å; L222-F236 HydrophobicContact CG-CE1 4.09Å; Y226-F236 HydrophobicContact CD1-CB 4Å; Y226-F236 HydrophobicContact CG-CB 4.37Å; Q227-F236 CarbonylContact O-C 3.46Å; Q227-F236 VanDerWaalsContact O-CA 3.28Å; Q227-F236 WeakPolarHBondContact O-CA 3.44Å; Q228-F236 HydrophobicContact CB-CD1 3.82Å; Q228-F236 HydrophobicContact CB-CE1 3.72Å; Q228-F236 HydrophobicContact CG-CD1 4.25Å; Q228-F236 HydrophobicContact CG-CE1 3.93Å; Q228-F236 HydrophobicContact CG-CZ 4.31Å; P234-F236 HydrophobicContact CB-CE2 3.86Å; P234-F236 HydrophobicContact CB-CZ 4.37Å; P234-F236 WeakPolarHBondContact O-CD2 3.45Å; P234-F236 WeakPolarHBondContact O-CE2 3.34Å; F236-Y245 PolarHBondContact N-O 3.31Å; F236-Y245 PolarHBondContact O-N 3.39Å; F236-L247 HydrophobicContact CE2-CD1 3.96Å; F236-L247 HydrophobicContact CE2-CG 3.95Å; F236-L247 HydrophobicContact CZ-CD1 4.5Å
237	L	90.6	Very high	83.7	Confident	37 Å²	37	69.7 Å²	69.7	19%	0.194	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.5	171.6	-61.6	174.4	0	0	0	109.8	Y226 Q227 V229 E243 E244	Y226-L237 WeakPolarHBondContact CA-O 3.4Å; Q227-L237 PolarHBondContact N-O 2.97Å; Q227-L237 PolarHBondContact O-N 2.79Å; V229-L237 HydrophobicContact CG2-CD1 3.54Å; V229-L237 HydrophobicContact CG2-CD2 4.31Å; V229-L237 HydrophobicContact CG2-CG 3.49Å; V229-L237 VanDerWaalsContact CG2-CG 3.49Å; L237-E243 WeakPolarHBondContact CA-O 3.43Å; L237-E244 HydrophobicContact CD2-CG 3.9Å
238	H	88.9	Confident	83.5	Confident	37 Å²	37	64 Å²	64	17%	0.171	33%	0.328	C	S	.	.			trans	-64.9	135	175.5	-179.2	-103	0	0	0	111	Y226 Q240 T241 H242 E243 Y245	Y226-H238 HydrophobicContact CD1-CB 4.32Å; Y226-H238 HydrophobicContact CE1-CB 3.89Å; Y226-H238 AromaticContact CE1-CD2 3.81Å; Y226-H238 AromaticContact CZ-CD2 3.62Å; Y226-H238 PolarHBondContact OH-CD2 3.19Å; H238-Q240 PolarHBondContact ND1-N 3.25Å; H238-Q240 PolarHBondContact O-N 2.73Å; H238-Q240 VanDerWaalsContact O-N 3.11Å; H238-T241 WeakPolarHBondContact CB-OG1 3.08Å; H238-T241 PolarHBondContact ND1-N 3.01Å; H238-T241 VanDerWaalsContact ND1-N 3.2Å; H238-T241 PolarHBondContact ND1-OG1 3.3Å; H238-H242 VanDerWaalsContact O-CA 3.3Å; H238-H242 WeakPolarHBondContact O-CA 3.49Å; H238-H242 PolarHBondContact O-N 2.83Å; H238-E243 PolarHBondContact N-O 3.45Å; H238-Y245 HydrophobicContact CB-CD2 3.9Å; H238-Y245 HydrophobicContact CB-CE2 3.6Å
239	P	85.7	Confident	83.2	Confident	61 Å²	61	61.4 Å²	61.4	40%	0.396	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.5	-170.1	18.5	-32.2	0	0	0	115.4	G225	G225-P239 WeakPolarHBondContact O-CB 3.3Å
240	Q	85.5	Confident	82.9	Confident	168 Å²	168	60.4 Å²	60.4	79%	0.785	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-39.9	-176.6	-60.5	177.8	9.1	0	0	113	H238	H238-Q240 PolarHBondContact ND1-N 3.25Å; H238-Q240 PolarHBondContact O-N 2.73Å; H238-Q240 VanDerWaalsContact O-N 3.11Å
241	T	88.8	Confident	82.9	Confident	71 Å²	71	59.9 Å²	59.9	44%	0.436	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-18.5	-172.8	60.5	0	0	0	0	111.9	H238 E243	H238-T241 WeakPolarHBondContact CB-OG1 3.08Å; H238-T241 PolarHBondContact ND1-N 3.01Å; H238-T241 VanDerWaalsContact ND1-N 3.2Å; H238-T241 PolarHBondContact ND1-OG1 3.3Å; T241-E243 PolarHBondContact O-N 3.5Å; T241-E243 VanDerWaalsContact O-N 3.14Å; T241-E243 PolarHBondContact OG1-N 2.99Å
242	H	87.2	Confident	82.8	Confident	120 Å²	120	57.5 Å²	57.5	56%	0.556	28%	0.283	S	S	*	.			trans	54.5	20.4	-170.2	-63.7	-76.4	0	0	0	114.2	H238	H238-H242 VanDerWaalsContact O-CA 3.3Å; H238-H242 WeakPolarHBondContact O-CA 3.49Å; H238-H242 PolarHBondContact O-N 2.83Å
243	E	88.7	Confident	82.8	Confident	41 Å²	41	55.2 Å²	55.2	19%	0.192	27%	0.267	C	S	.	.			trans	-72.2	153.9	171.4	-68.7	-179.8	161.3	0	0	110.4	R209 W211 L237 H238 T241 Y245	R209-E243 HydrophobicContact CB-CG 4.49Å; R209-E243 WeakPolarHBondContact CD-OE1 3.33Å; R209-E243 IonicContact NH1-OE1 3.93Å; R209-E243 PolarHBondContact NH1-OE1 2.96Å; W211-E243 PolarHBondContact NE1-OE2 2.71Å; L237-E243 WeakPolarHBondContact CA-O 3.43Å; H238-E243 PolarHBondContact N-O 3.45Å; T241-E243 PolarHBondContact O-N 3.5Å; T241-E243 VanDerWaalsContact O-N 3.14Å; T241-E243 PolarHBondContact OG1-N 2.99Å; E243-Y245 HydrophobicContact CB-CE2 4.11Å; E243-Y245 WeakPolarHBondContact O-CD2 3.22Å
244	E	90.7	Very high	82.3	Confident	103 Å²	103	56.6 Å²	56.6	48%	0.481	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.6	-175.8	-66	-170.9	178.7	0	0	111.6	W211 V235 L237	W211-E244 PolarHBondContact N-O 3.42Å; V235-E244 HydrophobicContact CG1-CB 4.38Å; L237-E244 HydrophobicContact CD2-CG 3.9Å
245	Y	90.8	Very high	81.5	Confident	20 Å²	20	57.5 Å²	57.5	8%	0.078	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.3	177.4	-76.3	-114.5	0	0	0	109	I190 W211 V213 Y226 F236 H238 E243	I190-Y245 HydrophobicContact CD1-CE1 4.21Å; I190-Y245 HydrophobicContact CG2-CD1 4.32Å; I190-Y245 HydrophobicContact CG2-CE1 3.71Å; W211-Y245 HydrophobicContact CB-CD1 3.65Å; W211-Y245 HydrophobicContact CB-CD2 4.04Å; W211-Y245 HydrophobicContact CB-CE1 3.73Å; W211-Y245 HydrophobicContact CB-CE2 4.11Å; W211-Y245 HydrophobicContact CB-CG 3.8Å; W211-Y245 AromaticContact CD1-CD2 3.84Å; W211-Y245 AromaticContact CD1-CE2 3.34Å; W211-Y245 AromaticContact CD1-CZ 3.57Å; W211-Y245 HydrophobicContact CD2-CE1 4.4Å; W211-Y245 HydrophobicContact CG-CD1 4.25Å; W211-Y245 HydrophobicContact CG-CD2 4.18Å; W211-Y245 AromaticContact CG-CE1 3.87Å; W211-Y245 HydrophobicContact CG-CE1 3.87Å; W211-Y245 AromaticContact CG-CE2 3.78Å; W211-Y245 HydrophobicContact CG-CE2 3.78Å; W211-Y245 HydrophobicContact CG-CG 4.38Å; W211-Y245 AromaticContact CG-CZ 3.61Å; W211-Y245 AromaticContact NE1-CE2 3.91Å; W211-Y245 AromaticContact NE1-CZ 3.97Å; W211-Y245 CarbonylContact O-C 3.44Å; W211-Y245 WeakPolarHBondContact O-CA 3.26Å; V213-Y245 HydrophobicContact CG2-CD1 3.69Å; V213-Y245 HydrophobicContact CG2-CG 4.45Å; Y226-Y245 HydrophobicContact CD1-CG 4.3Å; Y226-Y245 AromaticContact CE1-CD1 3.71Å; Y226-Y245 HydrophobicContact CE1-CD1 3.71Å; Y226-Y245 AromaticContact CE1-CD2 3.75Å; Y226-Y245 HydrophobicContact CE1-CD2 3.75Å; Y226-Y245 HydrophobicContact CE1-CE1 4.2Å; Y226-Y245 HydrophobicContact CE1-CE2 4.24Å; Y226-Y245 AromaticContact CE1-CG 3.47Å; Y226-Y245 HydrophobicContact CE1-CG 3.47Å; Y226-Y245 VanDerWaalsContact CE1-CG 3.47Å; Y226-Y245 WeakPolarHBondContact OH-CE1 3.2Å; F236-Y245 PolarHBondContact N-O 3.31Å; F236-Y245 PolarHBondContact O-N 3.39Å; H238-Y245 HydrophobicContact CB-CD2 3.9Å; H238-Y245 HydrophobicContact CB-CE2 3.6Å; E243-Y245 HydrophobicContact CB-CE2 4.11Å; E243-Y245 WeakPolarHBondContact O-CD2 3.22Å
246	A	89.1	Confident	80.1	Confident	18 Å²	18	60.7 Å²	60.7	15%	0.149	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.8	177.9	0	0	0	0	0	110.6	W211 V212 V213 V235	W211-A246 PolarHBondContact O-N 2.9Å; V212-A246 CarbonylContact C-O 3.52Å; V212-A246 VanDerWaalsContact CA-O 3.3Å; V212-A246 WeakPolarHBondContact CA-O 3.27Å; V213-A246 PolarHBondContact N-O 2.98Å; V235-A246 HydrophobicContact CG2-CB 4.24Å
247	L	88.6	Confident	78.4	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.6	167.3	-67.5	176.8	0	0	0	109.9	V213 P218 M221 P234 F236 R249 A265	V213-L247 HydrophobicContact CB-CD2 4.11Å; V213-L247 HydrophobicContact CG1-CD2 4.31Å; P218-L247 HydrophobicContact CB-CD1 4.34Å; P218-L247 VanDerWaalsContact CD-CD1 3.44Å; P218-L247 HydrophobicContact CG-CD1 3.62Å; M221-L247 HydrophobicContact CG-CD2 3.88Å; M221-L247 HydrophobicContact CG-CG 4.45Å; M221-L247 HydrophobicContact SD-CD2 4.38Å; P234-L247 HydrophobicContact CB-CB 4.27Å; P234-L247 HydrophobicContact CB-CD1 4Å; P234-L247 HydrophobicContact CB-CG 4.37Å; P234-L247 HydrophobicContact CG-CB 4.08Å; P234-L247 PolarHBondContact O-N 3.28Å; P234-L247 VanDerWaalsContact O-N 3.12Å; F236-L247 HydrophobicContact CE2-CD1 3.96Å; F236-L247 HydrophobicContact CE2-CG 3.95Å; F236-L247 HydrophobicContact CZ-CD1 4.5Å; L247-R249 PolarHBondContact O-N 3.37Å; L247-A265 HydrophobicContact CB-CB 4.29Å
248	A	85.5	Confident	76.5	Confident	4 Å²	4	66.6 Å²	66.6	3%	0.033	35%	0.35	C	S	.	.			trans	-55.3	132.5	172.2	0	0	0	0	0	110	V212 V213 V214 V269 D274	V212-A248 HydrophobicContact CG1-CB 4.03Å; V213-A248 PolarHBondContact O-N 3.31Å; V214-A248 HydrophobicContact CG2-CB 3.94Å; A248-V269 HydrophobicContact CB-CB 4.32Å; A248-V269 HydrophobicContact CB-CG1 4.02Å; A248-D274 HydrophobicContact CB-CB 4.26Å
249	R	81.9	Confident	74.8	Confident	29 Å²	29	71 Å²	71	11%	0.109	38%	0.38	C	S	.	.			trans	-143.3	151.3	-172.8	74.4	-161.1	-158.1	-166.6	1.6	112.7	L247 E251 C263 Y264 A265 D274 R277	L247-R249 PolarHBondContact O-N 3.37Å; R249-E251 IonicContact CZ-OE1 3.97Å; R249-E251 IonicContact NE-OE1 3.5Å; R249-E251 PolarHBondContact NE-OE1 3.27Å; R249-E251 IonicContact NH2-OE1 2.74Å; R249-E251 PolarHBondContact NH2-OE1 2.88Å; R249-C263 VanDerWaalsContact CD-SG 3.58Å; R249-Y264 CarbonylContact C-O 3.47Å; R249-Y264 VanDerWaalsContact CA-O 3.23Å; R249-Y264 WeakPolarHBondContact CA-O 3.38Å; R249-A265 HydrophobicContact CB-CB 3.98Å; R249-D274 PolarHBondContact N-OD1 2.99Å; R249-R277 VanDerWaalsContact CG-NE 3.34Å; R249-R277 VanDerWaalsContact NE-NH1 3.16Å; R249-R277 WeakPolarHBondContact O-CD 3.43Å; R249-R277 PolarHBondContact O-NE 3.42Å
250	T	77.2	Confident	73.4	Confident	48 Å²	48	68.3 Å²	68.3	29%	0.294	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	149.5	161.3	56.8	0	0	0	0	109.7	Y264 V269 D273	T250-Y264 PolarHBondContact N-O 2.93Å; T250-Y264 PolarHBondContact O-N 3.42Å; T250-V269 HydrophobicContact CG2-CG1 4.14Å; T250-D273 HydrophobicContact CG2-CB 3.86Å
251	E	71.5	Confident	72.2	Confident	42 Å²	42	62.4 Å²	62.4	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139	175.1	-70.6	169.9	-158.4	0	0	107.8	R249 F261 R277	R249-E251 IonicContact CZ-OE1 3.97Å; R249-E251 IonicContact NE-OE1 3.5Å; R249-E251 PolarHBondContact NE-OE1 3.27Å; R249-E251 IonicContact NH2-OE1 2.74Å; R249-E251 PolarHBondContact NH2-OE1 2.88Å; E251-F261 HydrophobicContact CB-CD1 4.46Å; E251-R277 IonicContact OE1-CZ 3.49Å; E251-R277 IonicContact OE1-NE 3.53Å; E251-R277 IonicContact OE1-NH1 2.68Å; E251-R277 PolarHBondContact OE1-NH1 3.19Å
252	R	62.9	Low	70.8	Confident	188 Å²	188	62.8 Å²	62.8	71%	0.709	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.3	172.2	-158.6	-178.7	-152.8	-177.3	9.2	109.8	S254 F261 T262	R252-S254 PolarHBondContact O-N 3.16Å; R252-S254 VanDerWaalsContact O-N 3.16Å; R252-F261 WeakPolarHBondContact O-CA 3.34Å; R252-T262 PolarHBondContact N-O 3.03Å; R252-T262 VanDerWaalsContact N-O 3.12Å; R252-T262 PolarHBondContact O-N 3.34Å; R252-T262 PolarHBondContact O-OG1 3.14Å
253	K	64.6	Low	69.7	Low	78 Å²	78	59.1 Å²	59.1	34%	0.339	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	112.1	171.4	-166.1	172.1	-177.7	173.1	0	110	G255 G260 F261 E317 E355	K253-G255 WeakPolarHBondContact CE-O 3.44Å; K253-G255 VanDerWaalsContact CG-O 3.26Å; K253-G255 WeakPolarHBondContact CG-O 3.33Å; K253-G260 CarbonylContact C-O 3.53Å; K253-G260 VanDerWaalsContact CA-O 3.27Å; K253-G260 WeakPolarHBondContact CA-O 3.29Å; K253-F261 HydrophobicContact CB-CE1 4.23Å; K253-E317 HydrophobicContact CD-CB 4.39Å; K253-E317 PolarHBondContact NZ-O 3.35Å; K253-E355 IonicContact NZ-OE2 3.3Å
254	S	57.2	Low	69	Low	80 Å²	80	62.9 Å²	62.9	56%	0.559	34%	0.338	S	S	*	.			trans	-105	-8.4	176.2	62	0	0	0	0	113.1	R252 G260	R252-S254 PolarHBondContact O-N 3.16Å; R252-S254 VanDerWaalsContact O-N 3.16Å; S254-G260 PolarHBondContact N-O 3.41Å; S254-G260 PolarHBondContact OG-O 3.47Å
255	G	60.3	Low	67.8	Low	33 Å²	33	59.2 Å²	59.2	34%	0.34	33%	0.325	S	S	.	.	S	Bend	trans	-164.4	-173.3	178.5	0	0	0	0	0	113.6	K253 G260	K253-G255 WeakPolarHBondContact CE-O 3.44Å; K253-G255 VanDerWaalsContact CG-O 3.26Å; K253-G255 WeakPolarHBondContact CG-O 3.33Å; G255-G260 PolarHBondContact N-O 2.9Å
256	S	57.1	Low	67	Low	95 Å²	95	59.3 Å²	59.3	66%	0.664	33%	0.33	S	S	*	.	S	Bend	trans	-88.3	145.4	169.7	53.5	0	0	0	0	110.8
257	G	54.4	Low	66.3	Low	34 Å²	34	61.7 Å²	61.7	35%	0.351	34%	0.344	S	S	.	.	S	Bend	trans	84	-177.7	178.6	0	0	0	0	0	115.4	T259 G260	G257-T259 VanDerWaalsContact C-N 3.34Å; G257-T259 PolarHBondContact O-N 3.23Å; G257-G260 PolarHBondContact O-N 2.85Å; G257-G260 VanDerWaalsContact O-N 3.11Å
258	Y	50.9	Low	66	Low	126 Å²	126	66.3 Å²	66.3	49%	0.494	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.6	-170	-178.1	-107.8	0	0	0	114.4	G260	Y258-G260 VanDerWaalsContact C-N 3.25Å; Y258-G260 PolarHBondContact O-N 3.46Å
259	T	51.8	Low	65.8	Low	131 Å²	131	66.3 Å²	66.3	80%	0.804	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.7	176.7	53.1	0	0	0	0	113	G257 F261	G257-T259 VanDerWaalsContact C-N 3.34Å; G257-T259 PolarHBondContact O-N 3.23Å; T259-F261 PolarHBondContact O-N 2.94Å
260	G	56.1	Low	66.1	Low	4 Å²	4	68 Å²	68	4%	0.041	38%	0.382	C	S	.	.			trans	-83.8	27	-176.7	0	0	0	0	0	114.2	K253 S254 G255 G257 Y258	K253-G260 CarbonylContact C-O 3.53Å; K253-G260 VanDerWaalsContact CA-O 3.27Å; K253-G260 WeakPolarHBondContact CA-O 3.29Å; S254-G260 PolarHBondContact N-O 3.41Å; S254-G260 PolarHBondContact OG-O 3.47Å; G255-G260 PolarHBondContact N-O 2.9Å; G257-G260 PolarHBondContact O-N 2.85Å; G257-G260 VanDerWaalsContact O-N 3.11Å; Y258-G260 VanDerWaalsContact C-N 3.25Å; Y258-G260 PolarHBondContact O-N 3.46Å
261	F	60.7	Low	66.7	Low	43 Å²	43	66.5 Å²	66.5	19%	0.189	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.9	177.9	-65.2	-84.3	0	0	0	110.6	E251 R252 K253 T259 E317 D318	E251-F261 HydrophobicContact CB-CD1 4.46Å; R252-F261 WeakPolarHBondContact O-CA 3.34Å; K253-F261 HydrophobicContact CB-CE1 4.23Å; T259-F261 PolarHBondContact O-N 2.94Å; F261-E317 HydrophobicContact CE1-CB 4.15Å; F261-D318 HydrophobicContact CZ-CB 4.22Å
262	T	59.5	Low	67.5	Low	79 Å²	79	69.8 Å²	69.8	49%	0.485	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.2	165.1	50.8	0	0	0	0	108.8	R252	R252-T262 PolarHBondContact N-O 3.03Å; R252-T262 VanDerWaalsContact N-O 3.12Å; R252-T262 PolarHBondContact O-N 3.34Å; R252-T262 PolarHBondContact O-OG1 3.14Å
263	C	64.7	Low	68.7	Low	43 Å²	43	63.7 Å²	63.7	29%	0.291	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.5	175.5	-177.1	0	0	0	0	109.6	F233 R249	F233-C263 HydrophobicContact CD1-CB 4.36Å; F233-C263 HydrophobicContact CE1-CB 4.4Å; R249-C263 VanDerWaalsContact CD-SG 3.58Å
264	Y	73.1	Confident	69.9	Low	120 Å²	120	60 Å²	60	47%	0.471	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	113.4	170.2	177	-99.4	0	0	0	108.3	R249 T250 A266 D268 V269	R249-Y264 CarbonylContact C-O 3.47Å; R249-Y264 VanDerWaalsContact CA-O 3.23Å; R249-Y264 WeakPolarHBondContact CA-O 3.38Å; T250-Y264 PolarHBondContact N-O 2.93Å; T250-Y264 PolarHBondContact O-N 3.42Å; Y264-A266 HydrophobicContact CE1-CB 3.8Å; Y264-A266 HydrophobicContact CE2-CB 4.03Å; Y264-D268 WeakPolarHBondContact CE1-OD1 3.49Å; Y264-D268 PolarHBondContact OH-OD1 3.1Å; Y264-D268 VanDerWaalsContact OH-OD1 3.09Å; Y264-D268 PolarHBondContact OH-OD2 3.24Å; Y264-V269 HydrophobicContact CD1-CG2 3.65Å; Y264-V269 HydrophobicContact CE1-CG2 3.75Å
265	A	66.9	Low	71.6	Confident	27 Å²	27	56.2 Å²	56.2	22%	0.223	33%	0.326	C	S	.	.			trans	-126.5	106.2	178.3	0	0	0	0	0	107.9	P234 L247 R249	P234-A265 HydrophobicContact CG-CB 3.6Å; L247-A265 HydrophobicContact CB-CB 4.29Å; R249-A265 HydrophobicContact CB-CB 3.98Å
266	A	72.7	Confident	73	Confident	21 Å²	21	59.5 Å²	59.5	17%	0.174	33%	0.331	C	S	.	.			trans	-145.7	161.5	-177.6	0	0	0	0	0	109.2	Y264 D268 V269	Y264-A266 HydrophobicContact CE1-CB 3.8Å; Y264-A266 HydrophobicContact CE2-CB 4.03Å; A266-D268 WeakPolarHBondContact CB-OD1 3.36Å; A266-D268 PolarHBondContact O-N 2.78Å; A266-V269 WeakPolarHBondContact O-CB 3.48Å; A266-V269 WeakPolarHBondContact O-CG2 3.49Å; A266-V269 PolarHBondContact O-N 2.96Å
267	P	74.8	Confident	74.4	Confident	68 Å²	68	56.9 Å²	56.9	44%	0.442	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.8	-173.7	-26.9	36.6	0	0	0	115	T217	T217-P267 HydrophobicContact CG2-CG 3.57Å
268	D	81.6	Confident	76.1	Confident	100 Å²	100	57.3 Å²	57.3	54%	0.535	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.8	175.8	61.1	-34.1	0	0	0	113.7	Y264 A266 T270	Y264-D268 WeakPolarHBondContact CE1-OD1 3.49Å; Y264-D268 PolarHBondContact OH-OD1 3.1Å; Y264-D268 VanDerWaalsContact OH-OD1 3.09Å; Y264-D268 PolarHBondContact OH-OD2 3.24Å; A266-D268 WeakPolarHBondContact CB-OD1 3.36Å; A266-D268 PolarHBondContact O-N 2.78Å; D268-T270 PolarHBondContact O-N 3.49Å
269	V	81.6	Confident	78	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.024	28%	0.276	C	S	.	.			trans	-72.3	119.6	177.2	-177.5	0	0	0	0	109.7	A248 T250 Y264 A266 D273	A248-V269 HydrophobicContact CB-CB 4.32Å; A248-V269 HydrophobicContact CB-CG1 4.02Å; T250-V269 HydrophobicContact CG2-CG1 4.14Å; Y264-V269 HydrophobicContact CD1-CG2 3.65Å; Y264-V269 HydrophobicContact CE1-CG2 3.75Å; A266-V269 WeakPolarHBondContact O-CB 3.48Å; A266-V269 WeakPolarHBondContact O-CG2 3.49Å; A266-V269 PolarHBondContact O-N 2.96Å; V269-D273 HydrophobicContact CG1-CB 3.91Å
270	T	88.4	Confident	80.2	Confident	64 Å²	64	45.4 Å²	45.4	39%	0.393	24%	0.238	S	C	.	.			trans	-79	162.5	-178.2	70.2	0	0	0	0	112	D268 E272 D273 D274	D268-T270 PolarHBondContact O-N 3.49Å; T270-E272 PolarHBondContact O-N 3.41Å; T270-E272 PolarHBondContact OG1-N 3.43Å; T270-D273 PolarHBondContact N-OD2 2.93Å; T270-D273 PolarHBondContact O-N 3.11Å; T270-D273 PolarHBondContact OG1-N 3.5Å; T270-D273 VanDerWaalsContact OG1-N 3.12Å; T270-D273 PolarHBondContact OG1-OD2 3.26Å; T270-D274 PolarHBondContact O-N 2.89Å
271	L	89	Confident	82.1	Confident	16 Å²	16	45.3 Å²	45.3	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-57.1	-40.6	168.9	-178.3	61.7	0	0	0	111.2	Y191 V212 V214 D273 D274 L275 A286 I294	Y191-L271 HydrophobicContact CD1-CD2 4.01Å; Y191-L271 HydrophobicContact CD2-CD1 3.99Å; Y191-L271 HydrophobicContact CD2-CD2 3.95Å; Y191-L271 HydrophobicContact CD2-CG 4.46Å; Y191-L271 HydrophobicContact CE1-CD2 4.09Å; Y191-L271 HydrophobicContact CE2-CD2 4.01Å; Y191-L271 HydrophobicContact CG-CD1 4.25Å; Y191-L271 HydrophobicContact CG-CD2 3.93Å; V212-L271 HydrophobicContact CG1-CD1 4.16Å; V214-L271 HydrophobicContact CG2-CB 4.01Å; V214-L271 HydrophobicContact CG2-CD1 4.35Å; L271-D273 VanDerWaalsContact C-N 3.31Å; L271-D273 PolarHBondContact O-N 3.06Å; L271-D274 PolarHBondContact O-N 3.43Å; L271-L275 HydrophobicContact CD1-CD1 4.3Å; L271-L275 HydrophobicContact CD1-CG 4.2Å; L271-L275 HydrophobicContact CD2-CD1 4.43Å; L271-L275 HydrophobicContact CG-CD1 3.91Å; L271-L275 HydrophobicContact CG-CG 4.21Å; L271-L275 VanDerWaalsContact O-CG 3.28Å; L271-L275 WeakPolarHBondContact O-CG 3.24Å; L271-L275 PolarHBondContact O-N 3.39Å; L271-A286 HydrophobicContact CD1-CB 4.18Å; L271-A286 HydrophobicContact CD2-CB 3.87Å; L271-A286 HydrophobicContact CG-CB 4.43Å; L271-I294 HydrophobicContact CD2-CB 4.35Å; L271-I294 HydrophobicContact CD2-CD1 3.69Å; L271-I294 HydrophobicContact CD2-CG2 4.03Å
272	E	90.1	Very high	83.8	Confident	111 Å²	111	43.3 Å²	43.3	52%	0.519	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-38.3	-178.8	-173.1	176.5	167.1	0	0	112.1	T270 L275 K276 P296 Y297	T270-E272 PolarHBondContact O-N 3.41Å; T270-E272 PolarHBondContact OG1-N 3.43Å; E272-L275 PolarHBondContact O-N 2.97Å; E272-K276 WeakPolarHBondContact O-CB 3.35Å; E272-K276 PolarHBondContact O-N 3.36Å; E272-P296 HydrophobicContact CG-CB 4.13Å; E272-P296 HydrophobicContact CG-CG 4.31Å; E272-Y297 HydrophobicContact CG-CE2 4.49Å; E272-Y297 WeakPolarHBondContact CG-OH 3.31Å; E272-Y297 PolarHBondContact O-OH 3.03Å
273	D	88	Confident	85.5	Confident	61 Å²	61	39.9 Å²	39.9	33%	0.326	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-42.8	174.5	-68.3	-48.8	0	0	0	112	T250 V269 T270 L271 K276	T250-D273 HydrophobicContact CG2-CB 3.86Å; V269-D273 HydrophobicContact CG1-CB 3.91Å; T270-D273 PolarHBondContact N-OD2 2.93Å; T270-D273 PolarHBondContact O-N 3.11Å; T270-D273 PolarHBondContact OG1-N 3.5Å; T270-D273 VanDerWaalsContact OG1-N 3.12Å; T270-D273 PolarHBondContact OG1-OD2 3.26Å; L271-D273 VanDerWaalsContact C-N 3.31Å; L271-D273 PolarHBondContact O-N 3.06Å; D273-K276 WeakPolarHBondContact O-CB 3.48Å; D273-K276 PolarHBondContact O-N 2.89Å
274	D	89.9	Confident	86.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-40.3	175.7	-171.9	77	0	0	0	112.3	A248 R249 T270 L271 K276 R277 R278	A248-D274 HydrophobicContact CB-CB 4.26Å; R249-D274 PolarHBondContact N-OD1 2.99Å; T270-D274 PolarHBondContact O-N 2.89Å; L271-D274 PolarHBondContact O-N 3.43Å; D274-K276 VanDerWaalsContact C-N 3.34Å; D274-R277 WeakPolarHBondContact O-CG 3.47Å; D274-R277 IonicContact OD1-CZ 3.18Å; D274-R277 VanDerWaalsContact OD1-CZ 3.23Å; D274-R277 IonicContact OD1-NE 3.6Å; D274-R277 PolarHBondContact OD1-NE 2.93Å; D274-R277 IonicContact OD1-NH2 2.71Å; D274-R277 PolarHBondContact OD1-NH2 3.27Å; D274-R277 IonicContact OD2-NH2 2.85Å; D274-R278 IonicContact OD2-CZ 2.75Å; D274-R278 IonicContact OD2-NE 3.91Å; D274-R278 PolarHBondContact OD2-NE 3.38Å; D274-R278 IonicContact OD2-NH2 3.48Å; D274-R278 PolarHBondContact OD2-NH2 2.77Å
275	L	91.6	Very high	88	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.6	-35.4	178.4	-67.2	179.1	0	0	0	111.1	L271 E272 R277 R278 A284 A286 P296 Y297	L271-L275 HydrophobicContact CD1-CD1 4.3Å; L271-L275 HydrophobicContact CD1-CG 4.2Å; L271-L275 HydrophobicContact CD2-CD1 4.43Å; L271-L275 HydrophobicContact CG-CD1 3.91Å; L271-L275 HydrophobicContact CG-CG 4.21Å; L271-L275 VanDerWaalsContact O-CG 3.28Å; L271-L275 WeakPolarHBondContact O-CG 3.24Å; L271-L275 PolarHBondContact O-N 3.39Å; E272-L275 PolarHBondContact O-N 2.97Å; L275-R277 VanDerWaalsContact C-N 3.29Å; L275-R277 PolarHBondContact O-N 2.94Å; L275-R278 WeakPolarHBondContact O-CB 3.43Å; L275-R278 WeakPolarHBondContact O-CG 3.25Å; L275-R278 PolarHBondContact O-N 3.18Å; L275-R278 VanDerWaalsContact O-N 3.12Å; L275-A284 HydrophobicContact CB-CB 4.32Å; L275-A286 HydrophobicContact CD1-CB 4.17Å; L275-A286 HydrophobicContact CD2-CB 4.45Å; L275-P296 HydrophobicContact CD1-CG 3.79Å; L275-Y297 HydrophobicContact CB-CD2 4.17Å; L275-Y297 HydrophobicContact CB-CE2 3.73Å
276	K	90.9	Very high	89.3	Confident	103 Å²	103	30.9 Å²	30.9	45%	0.448	16%	0.16	S	C	.	.	H	α-helix	trans	-57.2	-38.5	-179.5	-162.5	169.2	176.9	174.2	0	114.1	E272 D273 D274 R278 Y297 S312	E272-K276 WeakPolarHBondContact O-CB 3.35Å; E272-K276 PolarHBondContact O-N 3.36Å; D273-K276 WeakPolarHBondContact O-CB 3.48Å; D273-K276 PolarHBondContact O-N 2.89Å; D274-K276 VanDerWaalsContact C-N 3.34Å; K276-R278 PolarHBondContact O-N 3.44Å; K276-Y297 WeakPolarHBondContact CA-OH 3.3Å; K276-Y297 HydrophobicContact CB-CE2 4.33Å; K276-Y297 WeakPolarHBondContact CB-OH 3.28Å; K276-Y297 HydrophobicContact CG-CE1 4.38Å; K276-Y297 WeakPolarHBondContact CG-OH 3.46Å; K276-S312 PolarHBondContact O-OG 3.32Å
277	R	85.8	Confident	90.3	Very high	40 Å²	40	32.6 Å²	32.6	15%	0.151	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.1	-176.7	59.8	167.9	-170.5	96.1	9.1	112.9	R249 E251 D274 L275 R321	R249-R277 VanDerWaalsContact CG-NE 3.34Å; R249-R277 VanDerWaalsContact NE-NH1 3.16Å; R249-R277 WeakPolarHBondContact O-CD 3.43Å; R249-R277 PolarHBondContact O-NE 3.42Å; E251-R277 IonicContact OE1-CZ 3.49Å; E251-R277 IonicContact OE1-NE 3.53Å; E251-R277 IonicContact OE1-NH1 2.68Å; E251-R277 PolarHBondContact OE1-NH1 3.19Å; D274-R277 WeakPolarHBondContact O-CG 3.47Å; D274-R277 IonicContact OD1-CZ 3.18Å; D274-R277 VanDerWaalsContact OD1-CZ 3.23Å; D274-R277 IonicContact OD1-NE 3.6Å; D274-R277 PolarHBondContact OD1-NE 2.93Å; D274-R277 IonicContact OD1-NH2 2.71Å; D274-R277 PolarHBondContact OD1-NH2 3.27Å; D274-R277 IonicContact OD2-NH2 2.85Å; L275-R277 VanDerWaalsContact C-N 3.29Å; L275-R277 PolarHBondContact O-N 2.94Å; R277-R321 VanDerWaalsContact O-CZ 3.23Å; R277-R321 PolarHBondContact O-NH1 2.97Å; R277-R321 PolarHBondContact O-NH2 3.27Å
278	R	89.7	Confident	91.1	Very high	42 Å²	42	30.7 Å²	30.7	16%	0.158	15%	0.15	C	C	.	.	S	Bend	trans	-69.3	165.3	-179.7	-62.5	-179	178.3	-112.1	-9.3	111.6	D274 L275 K276 N283 A284 V311 R321	D274-R278 IonicContact OD2-CZ 2.75Å; D274-R278 IonicContact OD2-NE 3.91Å; D274-R278 PolarHBondContact OD2-NE 3.38Å; D274-R278 IonicContact OD2-NH2 3.48Å; D274-R278 PolarHBondContact OD2-NH2 2.77Å; L275-R278 WeakPolarHBondContact O-CB 3.43Å; L275-R278 WeakPolarHBondContact O-CG 3.25Å; L275-R278 PolarHBondContact O-N 3.18Å; L275-R278 VanDerWaalsContact O-N 3.12Å; K276-R278 PolarHBondContact O-N 3.44Å; R278-N283 WeakPolarHBondContact CD-O 3.27Å; R278-A284 HydrophobicContact CB-CB 4.35Å; R278-V311 HydrophobicContact CB-CG2 4.21Å; R278-V311 WeakPolarHBondContact O-CG2 3.38Å; R278-R321 PolarHBondContact O-NH1 2.95Å; R278-R321 VanDerWaalsContact O-NH1 3.15Å
279	D	92.1	Very high	91.4	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.043	16%	0.156	C	C	.	.	S	Bend	trans	-76.7	-59.5	-175.1	50.7	4.8	0	0	0	112.1	N283 H310 V311 F315 R321 R324	D279-N283 PolarHBondContact OD1-ND2 2.6Å; D279-H310 VanDerWaalsContact O-CA 3.27Å; D279-H310 WeakPolarHBondContact O-CA 3.48Å; D279-V311 PolarHBondContact O-N 2.97Å; D279-V311 VanDerWaalsContact O-N 3.13Å; D279-F315 WeakPolarHBondContact O-CD2 3.48Å; D279-R321 HydrophobicContact CB-CG 4.22Å; D279-R324 IonicContact OD2-CZ 2.98Å; D279-R324 IonicContact OD2-NE 3.67Å; D279-R324 PolarHBondContact OD2-NE 3.15Å; D279-R324 IonicContact OD2-NH2 2.9Å; D279-R324 PolarHBondContact OD2-NH2 2.79Å
280	L	96.5	Very high	91.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-114.7	145.5	-174.3	-68.3	171.8	0	0	0	112.1	I282 N283 A284 L308 R309 V311 V325 F328	L280-I282 VanDerWaalsContact C-N 3.29Å; L280-I282 HydrophobicContact CB-CG1 4.11Å; L280-I282 PolarHBondContact O-N 3.27Å; L280-N283 HydrophobicContact CB-CB 4.49Å; L280-N283 CarbonylContact O-C 3.5Å; L280-N283 WeakPolarHBondContact O-CA 3.26Å; L280-N283 WeakPolarHBondContact O-CB 3.42Å; L280-N283 PolarHBondContact O-N 2.89Å; L280-A284 PolarHBondContact O-N 3.3Å; L280-A284 VanDerWaalsContact O-N 3.16Å; L280-L308 HydrophobicContact CD1-CB 4.4Å; L280-L308 HydrophobicContact CD1-CD2 4.12Å; L280-L308 HydrophobicContact CD2-CB 4.07Å; L280-R309 CarbonylContact C-O 3.55Å; L280-R309 WeakPolarHBondContact CA-O 3.24Å; L280-R309 VanDerWaalsContact CD2-O 3.26Å; L280-R309 WeakPolarHBondContact CD2-O 3.43Å; L280-V311 WeakPolarHBondContact O-CG2 3.48Å; L280-V325 HydrophobicContact CD1-CG2 4.45Å; L280-V325 HydrophobicContact CD2-CG2 3.81Å; L280-V325 HydrophobicContact CG-CG2 4.2Å; L280-F328 HydrophobicContact CD1-CB 3.91Å; L280-F328 HydrophobicContact CD1-CD2 3.57Å; L280-F328 HydrophobicContact CD1-CE2 4.29Å; L280-F328 HydrophobicContact CD1-CG 3.89Å
281	T	97.3	Very high	91.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.1	-41.5	178.1	53.6	0	0	0	0	112.2	N283 A284 Y297 G299 D302 R309	T281-N283 PolarHBondContact O-N 3.04Å; T281-N283 VanDerWaalsContact O-N 3.13Å; T281-A284 WeakPolarHBondContact O-CA 3.47Å; T281-A284 WeakPolarHBondContact O-CB 3.48Å; T281-A284 PolarHBondContact O-N 3.11Å; T281-Y297 WeakPolarHBondContact CG2-O 3.34Å; T281-G299 WeakPolarHBondContact O-CA 3.43Å; T281-D302 VanDerWaalsContact CB-OD2 3.29Å; T281-D302 WeakPolarHBondContact CB-OD2 3.35Å; T281-D302 WeakPolarHBondContact CG2-OD2 2.97Å; T281-D302 WeakPolarHBondContact OG1-CB 3.4Å; T281-D302 PolarHBondContact OG1-OD2 2.96Å; T281-R309 HydrophobicContact CG2-CB 4.11Å; T281-R309 HydrophobicContact CG2-CG 4.11Å; T281-R309 PolarHBondContact N-O 3.25Å; T281-R309 PolarHBondContact OG1-O 3.34Å
282	I	96.2	Very high	91.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-63.7	-17.9	175.3	68.6	172.7	0	0	0	113.6	R198 L280 D302 L303 L308 Y332 F337	R198-I282 WeakPolarHBondContact CB-O 3.34Å; R198-I282 HydrophobicContact CG-CB 4.26Å; R198-I282 HydrophobicContact CG-CD1 4.38Å; R198-I282 HydrophobicContact CG-CG1 4.44Å; L280-I282 VanDerWaalsContact C-N 3.29Å; L280-I282 HydrophobicContact CB-CG1 4.11Å; L280-I282 PolarHBondContact O-N 3.27Å; I282-D302 HydrophobicContact CG2-CB 4.06Å; I282-L303 HydrophobicContact CB-CD1 4.06Å; I282-L303 HydrophobicContact CG2-CB 4.23Å; I282-L303 HydrophobicContact CG2-CD1 3.95Å; I282-L308 HydrophobicContact CD1-CD2 3.5Å; I282-L308 VanDerWaalsContact CD1-CD2 3.5Å; I282-Y332 HydrophobicContact CD1-CE2 4.42Å; I282-F337 HydrophobicContact CD1-CE1 4.02Å; I282-F337 HydrophobicContact CG2-CE1 4.47Å
283	N	94.7	Very high	92.1	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.043	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-98.1	-5.6	173.9	-60.5	-17.4	0	0	0	112.2	G194 R198 R278 D279 L280 T281 L285 F328	G194-N283 VanDerWaalsContact CA-O 3.29Å; G194-N283 WeakPolarHBondContact CA-O 3.43Å; R198-N283 PolarHBondContact NH1-OD1 2.83Å; R278-N283 WeakPolarHBondContact CD-O 3.27Å; D279-N283 PolarHBondContact OD1-ND2 2.6Å; L280-N283 HydrophobicContact CB-CB 4.49Å; L280-N283 CarbonylContact O-C 3.5Å; L280-N283 WeakPolarHBondContact O-CA 3.26Å; L280-N283 WeakPolarHBondContact O-CB 3.42Å; L280-N283 PolarHBondContact O-N 2.89Å; T281-N283 PolarHBondContact O-N 3.04Å; T281-N283 VanDerWaalsContact O-N 3.13Å; N283-L285 VanDerWaalsContact C-N 3.32Å; N283-F328 WeakPolarHBondContact ND2-CE2 3.47Å; N283-F328 WeakPolarHBondContact ND2-CZ 3.43Å
284	A	94.8	Very high	92.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-100.3	30.6	177.8	0	0	0	0	0	111.7	L275 R278 L280 T281 Y297 V311	L275-A284 HydrophobicContact CB-CB 4.32Å; R278-A284 HydrophobicContact CB-CB 4.35Å; L280-A284 PolarHBondContact O-N 3.3Å; L280-A284 VanDerWaalsContact O-N 3.16Å; T281-A284 WeakPolarHBondContact O-CA 3.47Å; T281-A284 WeakPolarHBondContact O-CB 3.48Å; T281-A284 PolarHBondContact O-N 3.11Å; A284-Y297 HydrophobicContact CB-CD2 4.11Å; A284-V311 HydrophobicContact CB-CG1 4.33Å; A284-V311 HydrophobicContact CB-CG2 3.72Å
285	L	94.8	Very high	92.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.			trans	-95.9	138.2	170.6	-62.1	174.7	0	0	0	109.6	V193 G194 V197 L201 N283 I293 D295 L300	V193-L285 WeakPolarHBondContact CA-O 3.32Å; G194-L285 PolarHBondContact N-O 3.16Å; V197-L285 HydrophobicContact CB-CB 4.32Å; V197-L285 HydrophobicContact CG1-CB 3.8Å; V197-L285 HydrophobicContact CG1-CD1 4.5Å; L201-L285 HydrophobicContact CD1-CD1 3.71Å; N283-L285 VanDerWaalsContact C-N 3.32Å; L285-I293 HydrophobicContact CD2-CG2 4.17Å; L285-D295 HydrophobicContact CD2-CB 3.63Å; L285-D295 WeakPolarHBondContact CD2-OD1 3.42Å; L285-L300 HydrophobicContact CD1-CD2 4.35Å; L285-L300 HydrophobicContact CD2-CD2 4.47Å; L285-L300 HydrophobicContact CD2-CG 4.02Å
286	A	94.8	Very high	92.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.7	171.7	0	0	0	0	0	110.1	L192 V193 L271 L275 I293 I294	L192-A286 CarbonylContact O-C 3.57Å; L192-A286 VanDerWaalsContact O-CA 3.26Å; L192-A286 WeakPolarHBondContact O-CA 3.3Å; V193-A286 HydrophobicContact CG1-CB 3.9Å; L271-A286 HydrophobicContact CD1-CB 4.18Å; L271-A286 HydrophobicContact CD2-CB 3.87Å; L271-A286 HydrophobicContact CG-CB 4.43Å; L275-A286 HydrophobicContact CD1-CB 4.17Å; L275-A286 HydrophobicContact CD2-CB 4.45Å; A286-I293 CarbonylContact O-C 3.56Å; A286-I293 WeakPolarHBondContact O-CA 3.49Å; A286-I294 HydrophobicContact CB-CB 4.23Å; A286-I294 PolarHBondContact N-O 3.23Å; A286-I294 VanDerWaalsContact N-O 3.07Å; A286-I294 PolarHBondContact O-N 3.06Å
287	Q	94.3	Very high	92.9	Very high	58 Å²	58	40.5 Å²	40.5	27%	0.271	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.3	175.5	179.9	-177.7	-23.6	0	0	108.6	Y191 L192 V197 E292 I293	Y191-Q287 CarbonylContact C-O 3.53Å; Y191-Q287 WeakPolarHBondContact CA-O 3.37Å; L192-Q287 HydrophobicContact CB-CB 4.3Å; L192-Q287 PolarHBondContact N-O 3.23Å; L192-Q287 PolarHBondContact O-N 2.85Å; V197-Q287 HydrophobicContact CG2-CB 3.99Å; Q287-E292 WeakPolarHBondContact CA-O 3.36Å; Q287-I293 HydrophobicContact CB-CD1 3.75Å; Q287-I293 HydrophobicContact CG-CD1 3.86Å
288	D	91.9	Very high	93.4	Very high	28 Å²	28	43.2 Å²	43.2	15%	0.15	23%	0.23	C	C	.	.			trans	-82.4	176.7	176.3	82.3	-11.6	0	0	0	112.3	Y191 N290 G291 E292	Y191-D288 HydrophobicContact CD1-CB 4.01Å; Y191-D288 HydrophobicContact CE1-CB 3.89Å; D288-N290 PolarHBondContact O-N 2.85Å; D288-N290 WeakPolarHBondContact OD1-CA 3.48Å; D288-N290 WeakPolarHBondContact OD1-CB 3.46Å; D288-N290 PolarHBondContact OD1-N 3.43Å; D288-N290 PolarHBondContact OD2-ND2 3.37Å; D288-G291 PolarHBondContact O-N 3.34Å; D288-G291 PolarHBondContact OD1-N 2.98Å; D288-E292 PolarHBondContact N-O 3.19Å; D288-E292 WeakPolarHBondContact OD1-CB 3.38Å; D288-E292 PolarHBondContact OD1-N 3.06Å
289	D	86.4	Confident	93.7	Very high	124 Å²	124	41.2 Å²	41.2	66%	0.663	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.2	178.3	-70.3	-23.1	0	0	0	113.5	G291	D289-G291 VanDerWaalsContact C-N 3.35Å
290	N	87.6	Confident	93.9	Very high	142 Å²	142	43.5 Å²	43.5	76%	0.759	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.8	176.5	-55.7	-58.3	0	0	0	112.7	D288	D288-N290 PolarHBondContact O-N 2.85Å; D288-N290 WeakPolarHBondContact OD1-CA 3.48Å; D288-N290 WeakPolarHBondContact OD1-CB 3.46Å; D288-N290 PolarHBondContact OD1-N 3.43Å; D288-N290 PolarHBondContact OD2-ND2 3.37Å
291	G	89.1	Confident	94	Very high	37 Å²	37	44 Å²	44	38%	0.381	24%	0.239	S	C	.	.			trans	85.7	10.4	-174.4	0	0	0	0	0	114.7	D288 D289	D288-G291 PolarHBondContact O-N 3.34Å; D288-G291 PolarHBondContact OD1-N 2.98Å; D289-G291 VanDerWaalsContact C-N 3.35Å
292	E	93.1	Very high	94	Very high	132 Å²	132	44 Å²	44	62%	0.617	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-73.3	132.7	172.2	-171.6	174.5	174.7	0	0	110.1	Q287 D288	Q287-E292 WeakPolarHBondContact CA-O 3.36Å; D288-E292 PolarHBondContact N-O 3.19Å; D288-E292 WeakPolarHBondContact OD1-CB 3.38Å; D288-E292 PolarHBondContact OD1-N 3.06Å
293	I	93.9	Very high	94	Very high	42 Å²	42	44.5 Å²	44.5	22%	0.215	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.1	177.7	-55.6	-58.6	0	0	0	109.6	V197 L285 A286 Q287 L300	V197-I293 HydrophobicContact CG1-CD1 3.82Å; L285-I293 HydrophobicContact CD2-CG2 4.17Å; A286-I293 CarbonylContact O-C 3.56Å; A286-I293 WeakPolarHBondContact O-CA 3.49Å; Q287-I293 HydrophobicContact CB-CD1 3.75Å; Q287-I293 HydrophobicContact CG-CD1 3.86Å; I293-L300 HydrophobicContact CB-CD1 4.34Å; I293-L300 HydrophobicContact CG2-CD1 3.95Å; I293-L300 HydrophobicContact CG2-CD2 4.16Å; I293-L300 HydrophobicContact CG2-CG 4.16Å
294	I	93.8	Very high	94	Very high	53 Å²	53	51.5 Å²	51.5	27%	0.272	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.3	173.9	-55.8	170.8	0	0	0	108.1	Y191 L271 A286	Y191-I294 HydrophobicContact CD1-CD1 3.74Å; Y191-I294 HydrophobicContact CE1-CD1 3.36Å; L271-I294 HydrophobicContact CD2-CB 4.35Å; L271-I294 HydrophobicContact CD2-CD1 3.69Å; L271-I294 HydrophobicContact CD2-CG2 4.03Å; A286-I294 HydrophobicContact CB-CB 4.23Å; A286-I294 PolarHBondContact N-O 3.23Å; A286-I294 VanDerWaalsContact N-O 3.07Å; A286-I294 PolarHBondContact O-N 3.06Å
295	D	95.4	Very high	94.2	Very high	39 Å²	39	56.7 Å²	56.7	21%	0.209	30%	0.302	C	S	.	.			trans	-136	78.1	-173.9	-177.7	18.4	0	0	0	112.5	L285 Y297 N298 G299 L300	L285-D295 HydrophobicContact CD2-CB 3.63Å; L285-D295 WeakPolarHBondContact CD2-OD1 3.42Å; D295-Y297 PolarHBondContact O-N 3.14Å; D295-Y297 PolarHBondContact OD1-N 2.83Å; D295-N298 WeakPolarHBondContact OD1-CA 3.5Å; D295-N298 PolarHBondContact OD1-N 3.16Å; D295-N298 VanDerWaalsContact OD2-C 3.23Å; D295-N298 VanDerWaalsContact OD2-CA 3.25Å; D295-N298 WeakPolarHBondContact OD2-CA 3.33Å; D295-G299 PolarHBondContact OD1-N 2.88Å; D295-G299 PolarHBondContact OD2-N 3.39Å; D295-L300 HydrophobicContact CB-CD1 4.18Å; D295-L300 HydrophobicContact CB-CG 4.26Å; D295-L300 WeakPolarHBondContact OD2-CB 3.43Å; D295-L300 PolarHBondContact OD2-N 3.44Å
296	P	93.6	Very high	94.3	Very high	53 Å²	53	61 Å²	61	34%	0.344	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.3	-180	24.8	-28.3	0	0	0	113.4	E272 L275	E272-P296 HydrophobicContact CG-CB 4.13Å; E272-P296 HydrophobicContact CG-CG 4.31Å; L275-P296 HydrophobicContact CD1-CG 3.79Å
297	Y	95.1	Very high	94.4	Very high	43 Å²	43	61.5 Å²	61.5	17%	0.169	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	16.5	-172.3	-58.1	-71.6	0	0	0	113.9	E272 L275 K276 T281 A284 D295 G299 V311	E272-Y297 HydrophobicContact CG-CE2 4.49Å; E272-Y297 WeakPolarHBondContact CG-OH 3.31Å; E272-Y297 PolarHBondContact O-OH 3.03Å; L275-Y297 HydrophobicContact CB-CD2 4.17Å; L275-Y297 HydrophobicContact CB-CE2 3.73Å; K276-Y297 WeakPolarHBondContact CA-OH 3.3Å; K276-Y297 HydrophobicContact CB-CE2 4.33Å; K276-Y297 WeakPolarHBondContact CB-OH 3.28Å; K276-Y297 HydrophobicContact CG-CE1 4.38Å; K276-Y297 WeakPolarHBondContact CG-OH 3.46Å; T281-Y297 WeakPolarHBondContact CG2-O 3.34Å; A284-Y297 HydrophobicContact CB-CD2 4.11Å; D295-Y297 PolarHBondContact O-N 3.14Å; D295-Y297 PolarHBondContact OD1-N 2.83Å; Y297-G299 VanDerWaalsContact C-N 3.29Å; Y297-G299 PolarHBondContact O-N 3.17Å; Y297-V311 HydrophobicContact CD1-CG1 3.75Å; Y297-V311 HydrophobicContact CD2-CG1 3.57Å; Y297-V311 HydrophobicContact CE1-CG1 4.06Å; Y297-V311 HydrophobicContact CE2-CG1 3.91Å; Y297-V311 HydrophobicContact CG-CG1 3.51Å
298	N	96	Very high	94.6	Very high	97 Å²	97	58.8 Å²	58.8	52%	0.519	31%	0.308	S	S	.	.			trans	58.9	33.8	178	-170.8	47.4	0	0	0	114.5	D295 L300 G301 D302	D295-N298 WeakPolarHBondContact OD1-CA 3.5Å; D295-N298 PolarHBondContact OD1-N 3.16Å; D295-N298 VanDerWaalsContact OD2-C 3.23Å; D295-N298 VanDerWaalsContact OD2-CA 3.25Å; D295-N298 WeakPolarHBondContact OD2-CA 3.33Å; N298-L300 VanDerWaalsContact C-N 3.29Å; N298-L300 PolarHBondContact O-N 2.92Å; N298-G301 PolarHBondContact O-N 3.32Å; N298-D302 PolarHBondContact O-N 3.46Å
299	G	96.2	Very high	94.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-31.1	172.9	0	0	0	0	0	113.9	T281 D295 Y297 D302 L303	T281-G299 WeakPolarHBondContact O-CA 3.43Å; D295-G299 PolarHBondContact OD1-N 2.88Å; D295-G299 PolarHBondContact OD2-N 3.39Å; Y297-G299 VanDerWaalsContact C-N 3.29Å; Y297-G299 PolarHBondContact O-N 3.17Å; G299-D302 PolarHBondContact O-N 2.82Å; G299-L303 VanDerWaalsContact O-CB 3.24Å; G299-L303 WeakPolarHBondContact O-CB 3.35Å; G299-L303 PolarHBondContact O-N 3.4Å
300	L	96.8	Very high	95.4	Very high	56 Å²	56	56.9 Å²	56.9	29%	0.293	29%	0.291	S	S	.	.	H	α-helix	trans	-65.8	-44.6	173.7	-73.8	174.2	0	0	0	111	L201 L285 I293 D295 N298 L303 Q304	L201-L300 HydrophobicContact CD1-CD2 3.68Å; L285-L300 HydrophobicContact CD1-CD2 4.35Å; L285-L300 HydrophobicContact CD2-CD2 4.47Å; L285-L300 HydrophobicContact CD2-CG 4.02Å; I293-L300 HydrophobicContact CB-CD1 4.34Å; I293-L300 HydrophobicContact CG2-CD1 3.95Å; I293-L300 HydrophobicContact CG2-CD2 4.16Å; I293-L300 HydrophobicContact CG2-CG 4.16Å; D295-L300 HydrophobicContact CB-CD1 4.18Å; D295-L300 HydrophobicContact CB-CG 4.26Å; D295-L300 WeakPolarHBondContact OD2-CB 3.43Å; D295-L300 PolarHBondContact OD2-N 3.44Å; N298-L300 VanDerWaalsContact C-N 3.29Å; N298-L300 PolarHBondContact O-N 2.92Å; L300-L303 PolarHBondContact O-N 2.81Å; L300-Q304 VanDerWaalsContact O-CG 3.31Å; L300-Q304 WeakPolarHBondContact O-CG 3.5Å; L300-Q304 PolarHBondContact O-N 3.31Å
301	G	97.3	Very high	95.8	Very high	10 Å²	10	50.9 Å²	50.9	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-44.7	175.2	0	0	0	0	0	111.6	N298 Q304 N305	N298-G301 PolarHBondContact O-N 3.32Å; G301-Q304 PolarHBondContact O-N 2.85Å; G301-N305 WeakPolarHBondContact O-CB 3.48Å; G301-N305 PolarHBondContact O-N 2.98Å; G301-N305 PolarHBondContact O-ND2 2.8Å
302	D	97.7	Very high	96	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-36	176	-72.9	-33.8	0	0	0	112.2	T281 I282 N298 G299 N305 R306 L307 R309	T281-D302 VanDerWaalsContact CB-OD2 3.29Å; T281-D302 WeakPolarHBondContact CB-OD2 3.35Å; T281-D302 WeakPolarHBondContact CG2-OD2 2.97Å; T281-D302 WeakPolarHBondContact OG1-CB 3.4Å; T281-D302 PolarHBondContact OG1-OD2 2.96Å; I282-D302 HydrophobicContact CG2-CB 4.06Å; N298-D302 PolarHBondContact O-N 3.46Å; G299-D302 PolarHBondContact O-N 2.82Å; D302-N305 CarbonylContact O-C 3.59Å; D302-N305 PolarHBondContact O-N 2.95Å; D302-R306 PolarHBondContact O-N 3.35Å; D302-L307 HydrophobicContact CB-CB 4.19Å; D302-L307 PolarHBondContact O-N 3.46Å; D302-L307 WeakPolarHBondContact OD1-CD2 3.49Å; D302-R309 IonicContact OD1-CZ 3.24Å; D302-R309 IonicContact OD1-NE 3.16Å; D302-R309 PolarHBondContact OD1-NE 3.06Å; D302-R309 IonicContact OD1-NH2 2.86Å; D302-R309 WeakPolarHBondContact OD2-CB 3.34Å; D302-R309 WeakPolarHBondContact OD2-CD 3.25Å; D302-R309 IonicContact OD2-NE 2.83Å; D302-R309 PolarHBondContact OD2-NE 3.44Å
303	L	96.3	Very high	95.8	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.052	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-42.2	176.5	-162.6	77.9	0	0	0	112.2	R198 L201 L202 I282 G299 L300 R306 F337	R198-L303 HydrophobicContact CG-CD1 3.84Å; L201-L303 HydrophobicContact CB-CD2 3.46Å; L201-L303 VanDerWaalsContact CB-CD2 3.46Å; L201-L303 HydrophobicContact CD1-CD2 4.08Å; L201-L303 HydrophobicContact CG-CD2 4.43Å; L202-L303 HydrophobicContact CD1-CD1 4.05Å; L202-L303 HydrophobicContact CD2-CD1 3.75Å; L202-L303 HydrophobicContact CD2-CD2 4.24Å; L202-L303 HydrophobicContact CD2-CG 3.86Å; L202-L303 HydrophobicContact CG-CD1 3.83Å; L202-L303 HydrophobicContact CG-CD2 4.32Å; L202-L303 HydrophobicContact CG-CG 4.28Å; I282-L303 HydrophobicContact CB-CD1 4.06Å; I282-L303 HydrophobicContact CG2-CB 4.23Å; I282-L303 HydrophobicContact CG2-CD1 3.95Å; G299-L303 VanDerWaalsContact O-CB 3.24Å; G299-L303 WeakPolarHBondContact O-CB 3.35Å; G299-L303 PolarHBondContact O-N 3.4Å; L300-L303 PolarHBondContact O-N 2.81Å; L303-R306 PolarHBondContact O-N 2.78Å; L303-R306 PolarHBondContact O-NH1 2.67Å; L303-F337 HydrophobicContact CD1-CE1 4.45Å; L303-F337 HydrophobicContact CD1-CZ 3.93Å
304	Q	96.3	Very high	95.4	Very high	155 Å²	155	47.8 Å²	47.8	72%	0.724	25%	0.249	S	C	*	.	H	α-helix	trans	-65	-42.6	174.7	-72.9	175.4	-0.5	0	0	111.4	L300 G301 R306	L300-Q304 VanDerWaalsContact O-CG 3.31Å; L300-Q304 WeakPolarHBondContact O-CG 3.5Å; L300-Q304 PolarHBondContact O-N 3.31Å; G301-Q304 PolarHBondContact O-N 2.85Å; Q304-R306 PolarHBondContact O-N 2.68Å
305	N	97.3	Very high	95.3	Very high	109 Å²	109	45.2 Å²	45.2	58%	0.583	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	2.8	179.3	-69.4	-54.4	0	0	0	114	G301 D302 L307	G301-N305 WeakPolarHBondContact O-CB 3.48Å; G301-N305 PolarHBondContact O-N 2.98Å; G301-N305 PolarHBondContact O-ND2 2.8Å; D302-N305 CarbonylContact O-C 3.59Å; D302-N305 PolarHBondContact O-N 2.95Å; N305-L307 PolarHBondContact O-N 2.72Å
306	R	97.5	Very high	94.9	Very high	89 Å²	89	44.5 Å²	44.5	34%	0.336	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	51	-178.3	-53.8	-62	-170.6	-153.5	9.3	111.6	D302 L303 Q304 L335 G336 F337 R338	D302-R306 PolarHBondContact O-N 3.35Å; L303-R306 PolarHBondContact O-N 2.78Å; L303-R306 PolarHBondContact O-NH1 2.67Å; Q304-R306 PolarHBondContact O-N 2.68Å; R306-L335 WeakPolarHBondContact CD-O 3.38Å; R306-L335 PolarHBondContact NE-O 3.44Å; R306-G336 WeakPolarHBondContact CB-O 3.32Å; R306-F337 VanDerWaalsContact C-CD1 3.41Å; R306-F337 HydrophobicContact CB-CD1 4.43Å; R306-F337 HydrophobicContact CB-CD2 4.08Å; R306-F337 HydrophobicContact CB-CE2 4.37Å; R306-F337 HydrophobicContact CB-CG 4.14Å; R306-F337 HydrophobicContact CG-CD2 4.49Å; R306-F337 HydrophobicContact CG-CE2 4.48Å; R306-F337 CarbonylContact O-C 3.25Å; R306-F337 WeakPolarHBondContact O-CA 3.46Å; R306-R338 PolarHBondContact O-N 3.2Å
307	L	97.9	Very high	94.6	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134	-173.7	-160.2	66.7	0	0	0	111.9	D302 N305 R338 A340	D302-L307 HydrophobicContact CB-CB 4.19Å; D302-L307 PolarHBondContact O-N 3.46Å; D302-L307 WeakPolarHBondContact OD1-CD2 3.49Å; N305-L307 PolarHBondContact O-N 2.72Å; L307-R338 CarbonylContact C-O 3.45Å; L307-R338 WeakPolarHBondContact CA-O 3.33Å; L307-R338 HydrophobicContact CD1-CG 3.57Å; L307-A340 HydrophobicContact CD1-CB 3.9Å; L307-A340 HydrophobicContact CD2-CB 3.73Å; L307-A340 HydrophobicContact CG-CB 3.74Å
308	L	98.2	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	95.1	170.8	-53.9	176.3	0	0	0	108.1	L280 I282 F328 A329 Y332 F337 R338 I339 A340	L280-L308 HydrophobicContact CD1-CB 4.4Å; L280-L308 HydrophobicContact CD1-CD2 4.12Å; L280-L308 HydrophobicContact CD2-CB 4.07Å; I282-L308 HydrophobicContact CD1-CD2 3.5Å; I282-L308 VanDerWaalsContact CD1-CD2 3.5Å; L308-F328 HydrophobicContact CD1-CB 4.21Å; L308-F328 HydrophobicContact CD2-CB 4.41Å; L308-A329 VanDerWaalsContact CD1-CA 3.48Å; L308-A329 HydrophobicContact CD1-CB 3.8Å; L308-Y332 HydrophobicContact CD2-CD2 4.46Å; L308-F337 HydrophobicContact CD2-CD1 3.51Å; L308-F337 HydrophobicContact CD2-CE1 4.11Å; L308-F337 HydrophobicContact CD2-CG 4.33Å; L308-F337 HydrophobicContact CG-CB 4.32Å; L308-F337 HydrophobicContact CG-CD1 3.95Å; L308-R338 PolarHBondContact N-O 3.22Å; L308-I339 HydrophobicContact CB-CG1 4.37Å; L308-I339 HydrophobicContact CD1-CG1 4.2Å; L308-A340 PolarHBondContact O-N 2.71Å
309	R	98.1	Very high	94.1	Very high	78 Å²	78	40 Å²	40	29%	0.294	21%	0.212	S	C	.	.			trans	-110.5	137.7	-179.5	-176.9	-178.1	-56.4	-87.3	2.2	110.4	L280 T281 D302 A340 E342 T343	L280-R309 CarbonylContact C-O 3.55Å; L280-R309 WeakPolarHBondContact CA-O 3.24Å; L280-R309 VanDerWaalsContact CD2-O 3.26Å; L280-R309 WeakPolarHBondContact CD2-O 3.43Å; T281-R309 HydrophobicContact CG2-CB 4.11Å; T281-R309 HydrophobicContact CG2-CG 4.11Å; T281-R309 PolarHBondContact N-O 3.25Å; T281-R309 PolarHBondContact OG1-O 3.34Å; D302-R309 IonicContact OD1-CZ 3.24Å; D302-R309 IonicContact OD1-NE 3.16Å; D302-R309 PolarHBondContact OD1-NE 3.06Å; D302-R309 IonicContact OD1-NH2 2.86Å; D302-R309 WeakPolarHBondContact OD2-CB 3.34Å; D302-R309 WeakPolarHBondContact OD2-CD 3.25Å; D302-R309 IonicContact OD2-NE 2.83Å; D302-R309 PolarHBondContact OD2-NE 3.44Å; R309-A340 HydrophobicContact CB-CB 4.05Å; R309-A340 HydrophobicContact CG-CB 4.32Å; R309-E342 WeakPolarHBondContact CG-OE1 3.21Å; R309-E342 IonicContact CZ-OE1 2.95Å; R309-E342 IonicContact NE-OE1 3.81Å; R309-E342 IonicContact NH1-OE1 3.84Å; R309-E342 PolarHBondContact NH1-OE1 2.99Å; R309-E342 IonicContact NH1-OE2 3.97Å; R309-E342 PolarHBondContact NH1-OE2 3.24Å; R309-T343 WeakPolarHBondContact CA-OG1 3Å
310	H	97.2	Very high	94	Very high	34 Å²	34	40.5 Å²	40.5	16%	0.157	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-68.5	147.1	173.2	70.8	-80	0	0	0	111.8	D279 S312 F315 T343	D279-H310 VanDerWaalsContact O-CA 3.27Å; D279-H310 WeakPolarHBondContact O-CA 3.48Å; H310-S312 PolarHBondContact CD2-O 2.98Å; H310-F315 HydrophobicContact CB-CB 4.02Å; H310-F315 HydrophobicContact CB-CD2 3.5Å; H310-F315 HydrophobicContact CB-CE2 4.09Å; H310-F315 HydrophobicContact CB-CG 3.82Å; H310-T343 HydrophobicContact CB-CG2 4.13Å; H310-T343 PolarHBondContact N-OG1 2.88Å; H310-T343 PolarHBondContact ND1-OG1 2.68Å
311	V	95.8	Very high	94	Very high	17 Å²	17	38.7 Å²	38.7	10%	0.103	20%	0.204	C	C	.	.	S	Bend	trans	-70.6	-50.7	-176.3	-178.1	0	0	0	0	112.3	R278 D279 L280 A284 Y297	R278-V311 HydrophobicContact CB-CG2 4.21Å; R278-V311 WeakPolarHBondContact O-CG2 3.38Å; D279-V311 PolarHBondContact O-N 2.97Å; D279-V311 VanDerWaalsContact O-N 3.13Å; L280-V311 WeakPolarHBondContact O-CG2 3.48Å; A284-V311 HydrophobicContact CB-CG1 4.33Å; A284-V311 HydrophobicContact CB-CG2 3.72Å; Y297-V311 HydrophobicContact CD1-CG1 3.75Å; Y297-V311 HydrophobicContact CD2-CG1 3.57Å; Y297-V311 HydrophobicContact CE1-CG1 4.06Å; Y297-V311 HydrophobicContact CE2-CG1 3.91Å; Y297-V311 HydrophobicContact CG-CG1 3.51Å
312	S	92.4	Very high	93.9	Very high	8 Å²	8	38.2 Å²	38.2	6%	0.056	20%	0.199	C	C	.	.	S	Bend	trans	-155.1	167.9	-170.8	76.3	0	0	0	0	111.3	K276 H310 A314 F315	K276-S312 PolarHBondContact O-OG 3.32Å; H310-S312 PolarHBondContact CD2-O 2.98Å; S312-A314 PolarHBondContact O-N 3.4Å; S312-A314 WeakPolarHBondContact OG-CB 3.49Å; S312-A314 PolarHBondContact OG-N 3.22Å; S312-F315 WeakPolarHBondContact O-CB 3.27Å; S312-F315 PolarHBondContact O-N 3.35Å
313	P	88.9	Confident	93.9	Very high	116 Å²	116	38 Å²	38	75%	0.753	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-55.1	-19.2	175.8	-27.5	36.2	0	0	0	114.6	F315 G316	P313-F315 PolarHBondContact O-N 3.35Å; P313-G316 PolarHBondContact O-N 3.16Å; P313-G316 VanDerWaalsContact O-N 3.08Å
314	A	86.4	Confident	94	Very high	21 Å²	21	41.3 Å²	41.3	17%	0.174	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-59.4	-13.9	172.4	0	0	0	0	0	113.1	S312 G316 E317 R321	S312-A314 PolarHBondContact O-N 3.4Å; S312-A314 WeakPolarHBondContact OG-CB 3.49Å; S312-A314 PolarHBondContact OG-N 3.22Å; A314-G316 PolarHBondContact O-N 2.96Å; A314-E317 WeakPolarHBondContact O-CB 3.49Å; A314-E317 PolarHBondContact O-N 3.34Å; A314-R321 PolarHBondContact O-NH1 2.71Å
315	F	90.9	Very high	94	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-53.4	-36.3	169.7	-171.9	-81.1	0	0	0	112.8	D279 H310 S312 P313 E317 R321 V325 L346 M347 M350	D279-F315 WeakPolarHBondContact O-CD2 3.48Å; H310-F315 HydrophobicContact CB-CB 4.02Å; H310-F315 HydrophobicContact CB-CD2 3.5Å; H310-F315 HydrophobicContact CB-CE2 4.09Å; H310-F315 HydrophobicContact CB-CG 3.82Å; S312-F315 WeakPolarHBondContact O-CB 3.27Å; S312-F315 PolarHBondContact O-N 3.35Å; P313-F315 PolarHBondContact O-N 3.35Å; F315-E317 PolarHBondContact O-N 2.75Å; F315-R321 HydrophobicContact CD1-CB 4.35Å; F315-R321 HydrophobicContact CD2-CB 3.96Å; F315-R321 HydrophobicContact CD2-CG 4.45Å; F315-R321 HydrophobicContact CE1-CB 3.92Å; F315-R321 HydrophobicContact CE2-CB 3.51Å; F315-R321 HydrophobicContact CE2-CG 4.39Å; F315-R321 HydrophobicContact CG-CB 4.37Å; F315-R321 HydrophobicContact CZ-CB 3.47Å; F315-R321 VanDerWaalsContact CZ-CB 3.47Å; F315-R321 WeakPolarHBondContact O-CD 3.39Å; F315-V325 HydrophobicContact CE2-CG2 3.59Å; F315-V325 HydrophobicContact CZ-CG2 3.6Å; F315-L346 HydrophobicContact CB-CD2 3.94Å; F315-L346 HydrophobicContact CD1-CD2 3.63Å; F315-L346 HydrophobicContact CD1-CG 4.18Å; F315-L346 HydrophobicContact CE1-CD2 4.5Å; F315-L346 HydrophobicContact CG-CD2 4.05Å; F315-M347 HydrophobicContact CE1-CG 4.19Å; F315-M347 HydrophobicContact CZ-CG 4.35Å; F315-M350 HydrophobicContact CD1-SD 3.68Å; F315-M350 HydrophobicContact CE1-SD 3.73Å
316	G	87.9	Confident	94.1	Very high	24 Å²	24	28.7 Å²	28.7	25%	0.247	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-66	-13.8	178	0	0	0	0	0	114.8	P313 A314	P313-G316 PolarHBondContact O-N 3.16Å; P313-G316 VanDerWaalsContact O-N 3.08Å; A314-G316 PolarHBondContact O-N 2.96Å
317	E	85.9	Confident	94.1	Very high	61 Å²	61	25.9 Å²	25.9	29%	0.285	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-77.3	-32.9	-173.2	-62.4	-174.6	-167.4	0	0	113.7	K253 F261 A314 F315	K253-E317 HydrophobicContact CD-CB 4.39Å; K253-E317 PolarHBondContact NZ-O 3.35Å; F261-E317 HydrophobicContact CE1-CB 4.15Å; A314-E317 WeakPolarHBondContact O-CB 3.49Å; A314-E317 PolarHBondContact O-N 3.34Å; F315-E317 PolarHBondContact O-N 2.75Å
318	D	89.4	Confident	94.1	Very high	24 Å²	24	25.8 Å²	25.8	13%	0.128	14%	0.136	C	C	.	.			trans	-116.3	107.1	177.5	-176.7	13.2	0	0	0	111.2	F261 L320 R321 R363	F261-D318 HydrophobicContact CZ-CB 4.22Å; D318-L320 PolarHBondContact O-N 3.4Å; D318-L320 WeakPolarHBondContact OD1-CB 3.35Å; D318-L320 PolarHBondContact OD1-N 3.29Å; D318-L320 VanDerWaalsContact OD1-N 3.15Å; D318-R321 HydrophobicContact CB-CG 4.21Å; D318-R321 WeakPolarHBondContact O-CB 3.44Å; D318-R321 WeakPolarHBondContact O-CG 3.35Å; D318-R321 PolarHBondContact O-N 2.88Å; D318-R363 IonicContact OD1-CZ 2.8Å; D318-R363 IonicContact OD1-NH1 3.58Å; D318-R363 PolarHBondContact OD1-NH1 2.84Å; D318-R363 VanDerWaalsContact OD1-NH1 3.16Å; D318-R363 IonicContact OD1-NH2 3.23Å; D318-R363 PolarHBondContact OD1-NH2 3Å; D318-R363 IonicContact OD2-CZ 3.89Å; D318-R363 IonicContact OD2-NH2 2.66Å; D318-R363 PolarHBondContact OD2-NH2 3.19Å
319	P	92.5	Very high	94.1	Very high	13 Å²	13	26 Å²	26	8%	0.084	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.3	-179.1	-21.7	33.9	0	0	0	113.6	R321 V322 E355 L356 L359	P319-R321 PolarHBondContact O-N 3.37Å; P319-V322 PolarHBondContact O-N 3.42Å; P319-E355 HydrophobicContact CB-CB 4.14Å; P319-E355 HydrophobicContact CG-CB 3.82Å; P319-E355 WeakPolarHBondContact CG-O 3.43Å; P319-L356 HydrophobicContact CB-CD1 4.44Å; P319-L359 HydrophobicContact CB-CD1 4.22Å; P319-L359 HydrophobicContact CB-CD2 4.01Å; P319-L359 HydrophobicContact CB-CG 4.04Å
320	L	94.3	Very high	94.1	Very high	11 Å²	11	22.2 Å²	22.2	6%	0.058	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-24.7	177.1	-169.2	70.2	0	0	0	111.7	D318 V322 L323 R324 L359 R363 E367	D318-L320 PolarHBondContact O-N 3.4Å; D318-L320 WeakPolarHBondContact OD1-CB 3.35Å; D318-L320 PolarHBondContact OD1-N 3.29Å; D318-L320 VanDerWaalsContact OD1-N 3.15Å; L320-V322 PolarHBondContact O-N 2.93Å; L320-L323 HydrophobicContact CD1-CD2 4.44Å; L320-L323 PolarHBondContact O-N 3.12Å; L320-R324 HydrophobicContact CG-CG 4.42Å; L320-R324 PolarHBondContact O-N 3.4Å; L320-L359 HydrophobicContact CB-CD2 4.04Å; L320-L359 HydrophobicContact CD1-CD2 4.36Å; L320-R363 HydrophobicContact CD1-CB 3.88Å; L320-R363 HydrophobicContact CD2-CB 4.5Å; L320-E367 HydrophobicContact CD1-CG 3.71Å; L320-E367 HydrophobicContact CD2-CG 4.23Å; L320-E367 HydrophobicContact CG-CG 4.06Å
321	R	94.8	Very high	94.1	Very high	17 Å²	17	24.4 Å²	24.4	6%	0.064	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-28.2	-179.8	-63.3	-179.8	-167.9	-152.7	-0.4	112.4	R277 R278 D279 A314 F315 D318 P319 L323 R324 V325	R277-R321 VanDerWaalsContact O-CZ 3.23Å; R277-R321 PolarHBondContact O-NH1 2.97Å; R277-R321 PolarHBondContact O-NH2 3.27Å; R278-R321 PolarHBondContact O-NH1 2.95Å; R278-R321 VanDerWaalsContact O-NH1 3.15Å; D279-R321 HydrophobicContact CB-CG 4.22Å; A314-R321 PolarHBondContact O-NH1 2.71Å; F315-R321 HydrophobicContact CD1-CB 4.35Å; F315-R321 HydrophobicContact CD2-CB 3.96Å; F315-R321 HydrophobicContact CD2-CG 4.45Å; F315-R321 HydrophobicContact CE1-CB 3.92Å; F315-R321 HydrophobicContact CE2-CB 3.51Å; F315-R321 HydrophobicContact CE2-CG 4.39Å; F315-R321 HydrophobicContact CG-CB 4.37Å; F315-R321 HydrophobicContact CZ-CB 3.47Å; F315-R321 VanDerWaalsContact CZ-CB 3.47Å; F315-R321 WeakPolarHBondContact O-CD 3.39Å; D318-R321 HydrophobicContact CB-CG 4.21Å; D318-R321 WeakPolarHBondContact O-CB 3.44Å; D318-R321 WeakPolarHBondContact O-CG 3.35Å; D318-R321 PolarHBondContact O-N 2.88Å; P319-R321 PolarHBondContact O-N 3.37Å; R321-L323 PolarHBondContact O-N 3.41Å; R321-R324 PolarHBondContact O-N 3.4Å; R321-V325 WeakPolarHBondContact O-CG2 3.3Å; R321-V325 PolarHBondContact O-N 2.87Å
322	V	96.9	Very high	94.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-48.2	172.4	179.3	0	0	0	0	111	P319 L320 V325 A326 M347 M350 L356 L384 A389	P319-V322 PolarHBondContact O-N 3.42Å; L320-V322 PolarHBondContact O-N 2.93Å; V322-V325 PolarHBondContact O-N 2.9Å; V322-A326 PolarHBondContact O-N 3.45Å; V322-A326 VanDerWaalsContact O-N 3.11Å; V322-M347 HydrophobicContact CG1-CB 4.39Å; V322-M347 HydrophobicContact CG1-CE 3.77Å; V322-M347 HydrophobicContact CG1-CG 4.4Å; V322-M347 HydrophobicContact CG2-CB 4.4Å; V322-M347 HydrophobicContact CG2-CG 4.21Å; V322-M350 HydrophobicContact CG2-CE 4.19Å; V322-M350 HydrophobicContact CG2-SD 4.16Å; V322-L356 HydrophobicContact CG1-CD2 4.42Å; V322-L356 HydrophobicContact CG2-CD1 4.28Å; V322-L384 HydrophobicContact CG1-CD2 4.4Å; V322-A389 HydrophobicContact CG1-CB 4.24Å
323	L	97.8	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.3	-37.6	177.2	-70.4	78.6	0	0	0	111.5	L320 R321 A326 R327 L359 V364 E367 F380 L393	L320-L323 HydrophobicContact CD1-CD2 4.44Å; L320-L323 PolarHBondContact O-N 3.12Å; R321-L323 PolarHBondContact O-N 3.41Å; L323-A326 PolarHBondContact O-N 3.45Å; L323-R327 WeakPolarHBondContact O-CB 3.32Å; L323-R327 PolarHBondContact O-N 2.82Å; L323-L359 HydrophobicContact CD1-CD1 3.69Å; L323-V364 HydrophobicContact CD2-CB 4.21Å; L323-V364 HydrophobicContact CD2-CG1 3.98Å; L323-V364 HydrophobicContact CD2-CG2 4.3Å; L323-E367 HydrophobicContact CB-CB 3.87Å; L323-E367 HydrophobicContact CB-CG 4.1Å; L323-E367 HydrophobicContact CD2-CB 3.98Å; L323-F380 HydrophobicContact CB-CE2 4.37Å; L323-F380 HydrophobicContact CD2-CZ 4.49Å; L323-F380 WeakPolarHBondContact O-CE2 3.4Å; L323-L393 HydrophobicContact CD1-CD1 3.77Å; L323-L393 HydrophobicContact CD2-CD1 4.2Å; L323-L393 HydrophobicContact CG-CD1 4.04Å
324	R	96.8	Very high	94.7	Very high	78 Å²	78	22.9 Å²	22.9	29%	0.294	12%	0.116	S	C	.	.	H	α-helix	trans	-62.7	-44	177.6	-67.9	172.7	60	101.6	-3.6	111.5	D279 L320 R321 R327 F328 E367	D279-R324 IonicContact OD2-CZ 2.98Å; D279-R324 IonicContact OD2-NE 3.67Å; D279-R324 PolarHBondContact OD2-NE 3.15Å; D279-R324 IonicContact OD2-NH2 2.9Å; D279-R324 PolarHBondContact OD2-NH2 2.79Å; L320-R324 HydrophobicContact CG-CG 4.42Å; L320-R324 PolarHBondContact O-N 3.4Å; R321-R324 PolarHBondContact O-N 3.4Å; R324-R327 WeakPolarHBondContact O-CB 3.38Å; R324-R327 PolarHBondContact O-N 3.35Å; R324-F328 WeakPolarHBondContact O-CD2 3.27Å; R324-F328 PolarHBondContact O-N 2.96Å; R324-E367 HydrophobicContact CG-CG 4.44Å; R324-E367 WeakPolarHBondContact CG-OE1 3.49Å
325	V	98	Very high	95.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-45.8	174.9	174.9	0	0	0	0	110.7	L280 F315 R321 V322 R327 F328 A329 I339 M347	L280-V325 HydrophobicContact CD1-CG2 4.45Å; L280-V325 HydrophobicContact CD2-CG2 3.81Å; L280-V325 HydrophobicContact CG-CG2 4.2Å; F315-V325 HydrophobicContact CE2-CG2 3.59Å; F315-V325 HydrophobicContact CZ-CG2 3.6Å; R321-V325 WeakPolarHBondContact O-CG2 3.3Å; R321-V325 PolarHBondContact O-N 2.87Å; V322-V325 PolarHBondContact O-N 2.9Å; V325-R327 VanDerWaalsContact C-N 3.28Å; V325-R327 PolarHBondContact O-N 3.05Å; V325-F328 PolarHBondContact O-N 3.44Å; V325-A329 WeakPolarHBondContact O-CB 3.44Å; V325-A329 PolarHBondContact O-N 3.26Å; V325-I339 HydrophobicContact CG1-CD1 3.8Å; V325-I339 HydrophobicContact CG1-CG1 3.95Å; V325-I339 HydrophobicContact CG1-CG2 4.23Å; V325-M347 HydrophobicContact CB-CE 4.24Å; V325-M347 HydrophobicContact CB-SD 4.04Å; V325-M347 HydrophobicContact CG1-CE 4.19Å; V325-M347 HydrophobicContact CG1-SD 3.73Å
326	A	98.3	Very high	95.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-39.9	174.7	0	0	0	0	0	112.2	V322 L323 A329 A330 F380 V383 L384	V322-A326 PolarHBondContact O-N 3.45Å; V322-A326 VanDerWaalsContact O-N 3.11Å; L323-A326 PolarHBondContact O-N 3.45Å; A326-A329 PolarHBondContact O-N 2.85Å; A326-A330 PolarHBondContact O-N 2.88Å; A326-F380 HydrophobicContact CB-CD2 3.54Å; A326-F380 HydrophobicContact CB-CE2 3.84Å; A326-F380 HydrophobicContact CB-CG 4.3Å; A326-V383 HydrophobicContact CB-CB 4Å; A326-V383 HydrophobicContact CB-CG1 3.69Å; A326-L384 HydrophobicContact CB-CD2 4Å; A326-L384 HydrophobicContact CB-CG 4.21Å
327	R	98.1	Very high	95.9	Very high	30 Å²	30	26.3 Å²	26.3	11%	0.113	14%	0.137	C	C	.	.	H	α-helix	trans	-66.7	-42.5	176.6	177.7	178.7	57.3	66.8	2.5	111.5	L323 R324 V325 A329 A330 R331 E367 A371 F380	L323-R327 WeakPolarHBondContact O-CB 3.32Å; L323-R327 PolarHBondContact O-N 2.82Å; R324-R327 WeakPolarHBondContact O-CB 3.38Å; R324-R327 PolarHBondContact O-N 3.35Å; V325-R327 VanDerWaalsContact C-N 3.28Å; V325-R327 PolarHBondContact O-N 3.05Å; R327-A329 VanDerWaalsContact C-N 3.34Å; R327-A330 PolarHBondContact O-N 3.45Å; R327-R331 WeakPolarHBondContact O-CB 3.42Å; R327-R331 PolarHBondContact O-N 3.36Å; R327-E367 WeakPolarHBondContact CD-OE2 3.3Å; R327-E367 IonicContact CZ-OE2 3.8Å; R327-E367 IonicContact NE-OE2 2.69Å; R327-E367 PolarHBondContact NE-OE2 3Å; R327-E367 IonicContact NH2-OE2 3.52Å; R327-E367 PolarHBondContact NH2-OE2 3.27Å; R327-A371 HydrophobicContact CB-CB 4.29Å; R327-A371 HydrophobicContact CG-CB 4.19Å; R327-F380 HydrophobicContact CB-CD2 4.23Å; R327-F380 HydrophobicContact CB-CE2 4.33Å
328	F	97.4	Very high	96.4	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.039	16%	0.155	C	C	.	.	H	α-helix	trans	-66	-37.1	176.1	-78.5	-63.5	0	0	0	111.9	L280 N283 L308 R324 V325 R331 Y332	L280-F328 HydrophobicContact CD1-CB 3.91Å; L280-F328 HydrophobicContact CD1-CD2 3.57Å; L280-F328 HydrophobicContact CD1-CE2 4.29Å; L280-F328 HydrophobicContact CD1-CG 3.89Å; N283-F328 WeakPolarHBondContact ND2-CE2 3.47Å; N283-F328 WeakPolarHBondContact ND2-CZ 3.43Å; L308-F328 HydrophobicContact CD1-CB 4.21Å; L308-F328 HydrophobicContact CD2-CB 4.41Å; R324-F328 WeakPolarHBondContact O-CD2 3.27Å; R324-F328 PolarHBondContact O-N 2.96Å; V325-F328 PolarHBondContact O-N 3.44Å; F328-R331 PolarHBondContact O-N 2.92Å; F328-Y332 HydrophobicContact CB-CD2 4.41Å; F328-Y332 HydrophobicContact CD1-CD2 4.19Å; F328-Y332 AromaticContact CD1-CE2 3.54Å; F328-Y332 HydrophobicContact CD1-CE2 3.54Å; F328-Y332 HydrophobicContact CE1-CE2 4.19Å; F328-Y332 HydrophobicContact CG-CE2 4.49Å; F328-Y332 WeakPolarHBondContact O-CB 3.33Å; F328-Y332 WeakPolarHBondContact O-CD2 3.45Å; F328-Y332 PolarHBondContact O-N 3.46Å
329	A	98.4	Very high	96.9	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.033	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-46.8	171.3	0	0	0	0	0	111.2	L308 V325 A326 R327 R331 Y332 A333 I339 V379 V383	L308-A329 VanDerWaalsContact CD1-CA 3.48Å; L308-A329 HydrophobicContact CD1-CB 3.8Å; V325-A329 WeakPolarHBondContact O-CB 3.44Å; V325-A329 PolarHBondContact O-N 3.26Å; A326-A329 PolarHBondContact O-N 2.85Å; R327-A329 VanDerWaalsContact C-N 3.34Å; A329-R331 PolarHBondContact O-N 2.83Å; A329-Y332 PolarHBondContact O-N 3.03Å; A329-A333 WeakPolarHBondContact O-CA 3.46Å; A329-A333 VanDerWaalsContact O-CB 3.32Å; A329-A333 WeakPolarHBondContact O-CB 3.29Å; A329-A333 PolarHBondContact O-N 2.97Å; A329-I339 HydrophobicContact CB-CD1 4.12Å; A329-I339 HydrophobicContact CB-CG1 4.24Å; A329-V379 HydrophobicContact CB-CG1 4.01Å; A329-V383 HydrophobicContact CB-CG2 3.91Å
330	A	98.2	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-41	175	0	0	0	0	0	113.4	A326 R327 T374 N376 V379 F380	A326-A330 PolarHBondContact O-N 2.88Å; R327-A330 PolarHBondContact O-N 3.45Å; A330-T374 HydrophobicContact CB-CG2 4.39Å; A330-N376 WeakPolarHBondContact CB-O 3.38Å; A330-V379 HydrophobicContact CB-CB 4.27Å; A330-F380 HydrophobicContact CB-CB 3.96Å
331	R	96.6	Very high	97.3	Very high	79 Å²	79	37.1 Å²	37.1	30%	0.298	18%	0.184	S	C	.	.	H	α-helix	trans	-63.6	-42.8	177.9	-176.3	174.8	175.1	-179.9	-9.4	111.8	D199 R327 F328 A329 H334 T374	D199-R331 IonicContact OD1-NH2 3.57Å; D199-R331 IonicContact OD2-CZ 2.92Å; D199-R331 IonicContact OD2-NH1 3.49Å; D199-R331 IonicContact OD2-NH2 3.22Å; D199-R331 PolarHBondContact OD2-NH2 2.89Å; R327-R331 WeakPolarHBondContact O-CB 3.42Å; R327-R331 PolarHBondContact O-N 3.36Å; F328-R331 PolarHBondContact O-N 2.92Å; A329-R331 PolarHBondContact O-N 2.83Å; R331-H334 PolarHBondContact O-CE1 2.77Å; R331-H334 PolarHBondContact O-ND1 3.08Å; R331-T374 HydrophobicContact CB-CG2 3.97Å
332	Y	97	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-105.1	6.1	-171.4	-59.8	-52.3	0	0	0	115	R198 D199 L202 L204 I282 L308 F328 A329 H334 L335 G336 F337	R198-Y332 PolarHBondContact NE-OH 3.06Å; R198-Y332 PolarHBondContact NH2-OH 3.35Å; D199-Y332 PolarHBondContact OD1-OH 3.44Å; L202-Y332 HydrophobicContact CD1-CD1 4.38Å; L202-Y332 HydrophobicContact CD1-CE1 4.02Å; L204-Y332 HydrophobicContact CD1-CD1 4.46Å; L204-Y332 HydrophobicContact CD1-CE1 3.77Å; I282-Y332 HydrophobicContact CD1-CE2 4.42Å; L308-Y332 HydrophobicContact CD2-CD2 4.46Å; F328-Y332 HydrophobicContact CB-CD2 4.41Å; F328-Y332 HydrophobicContact CD1-CD2 4.19Å; F328-Y332 AromaticContact CD1-CE2 3.54Å; F328-Y332 HydrophobicContact CD1-CE2 3.54Å; F328-Y332 HydrophobicContact CE1-CE2 4.19Å; F328-Y332 HydrophobicContact CG-CE2 4.49Å; F328-Y332 WeakPolarHBondContact O-CB 3.33Å; F328-Y332 WeakPolarHBondContact O-CD2 3.45Å; F328-Y332 PolarHBondContact O-N 3.46Å; A329-Y332 PolarHBondContact O-N 3.03Å; Y332-H334 VanDerWaalsContact C-N 3.26Å; Y332-H334 PolarHBondContact O-N 2.99Å; Y332-L335 HydrophobicContact CD1-CD1 3.83Å; Y332-L335 WeakPolarHBondContact O-CA 3.27Å; Y332-L335 WeakPolarHBondContact O-CB 3.38Å; Y332-L335 PolarHBondContact O-N 2.92Å; Y332-G336 PolarHBondContact O-N 3.34Å; Y332-F337 HydrophobicContact CG-CD2 4.36Å; Y332-F337 PolarHBondContact O-N 3.24Å
333	A	97.1	Very high	97.4	Very high	30 Å²	30	39.9 Å²	39.9	25%	0.248	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-52.8	-43.3	176.3	0	0	0	0	0	112.5	A329 L335 G336 N376 V379	A329-A333 WeakPolarHBondContact O-CA 3.46Å; A329-A333 VanDerWaalsContact O-CB 3.32Å; A329-A333 WeakPolarHBondContact O-CB 3.29Å; A329-A333 PolarHBondContact O-N 2.97Å; A333-L335 PolarHBondContact O-N 3.42Å; A333-L335 VanDerWaalsContact O-N 3.15Å; A333-G336 PolarHBondContact O-N 3.06Å; A333-N376 HydrophobicContact CB-CB 3.8Å; A333-V379 HydrophobicContact CB-CG1 4.45Å; A333-V379 HydrophobicContact CB-CG2 3.93Å
334	H	95.3	Very high	97.4	Very high	79 Å²	79	41.1 Å²	41.1	37%	0.366	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-64.8	-14.9	177.4	70.4	-78.4	0	0	0	114.7	R331 Y332	R331-H334 PolarHBondContact O-CE1 2.77Å; R331-H334 PolarHBondContact O-ND1 3.08Å; Y332-H334 VanDerWaalsContact C-N 3.26Å; Y332-H334 PolarHBondContact O-N 2.99Å
335	L	96.4	Very high	97.4	Very high	48 Å²	48	39.2 Å²	39.2	25%	0.251	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-96.6	3.4	173.8	-57.4	-179	0	0	0	112.4	L202 L204 R306 Y332 A333 F337	L202-L335 HydrophobicContact CD1-CD1 4.22Å; L204-L335 HydrophobicContact CD1-CD1 4.2Å; R306-L335 WeakPolarHBondContact CD-O 3.38Å; R306-L335 PolarHBondContact NE-O 3.44Å; Y332-L335 HydrophobicContact CD1-CD1 3.83Å; Y332-L335 WeakPolarHBondContact O-CA 3.27Å; Y332-L335 WeakPolarHBondContact O-CB 3.38Å; Y332-L335 PolarHBondContact O-N 2.92Å; A333-L335 PolarHBondContact O-N 3.42Å; A333-L335 VanDerWaalsContact O-N 3.15Å; L335-F337 HydrophobicContact CB-CD2 3.87Å; L335-F337 HydrophobicContact CB-CE2 4.09Å; L335-F337 HydrophobicContact CD1-CE2 4.38Å
336	G	96.7	Very high	97.4	Very high	53 Å²	53	40.7 Å²	40.7	55%	0.546	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	18.9	179.6	0	0	0	0	0	114.4	R306 Y332 A333	R306-G336 WeakPolarHBondContact CB-O 3.32Å; Y332-G336 PolarHBondContact O-N 3.34Å; A333-G336 PolarHBondContact O-N 3.06Å
337	F	98	Very high	97.3	Very high	16 Å²	16	40.7 Å²	40.7	7%	0.07	21%	0.212	C	C	.	.			trans	-67.3	138.4	176.8	-84	-105.8	0	0	0	112.2	L202 I282 L303 R306 L308 Y332 L335	L202-F337 HydrophobicContact CD1-CE2 4.5Å; L202-F337 HydrophobicContact CD1-CZ 4.43Å; L202-F337 HydrophobicContact CD2-CE2 4.12Å; L202-F337 HydrophobicContact CD2-CZ 4.1Å; I282-F337 HydrophobicContact CD1-CE1 4.02Å; I282-F337 HydrophobicContact CG2-CE1 4.47Å; L303-F337 HydrophobicContact CD1-CE1 4.45Å; L303-F337 HydrophobicContact CD1-CZ 3.93Å; R306-F337 VanDerWaalsContact C-CD1 3.41Å; R306-F337 HydrophobicContact CB-CD1 4.43Å; R306-F337 HydrophobicContact CB-CD2 4.08Å; R306-F337 HydrophobicContact CB-CE2 4.37Å; R306-F337 HydrophobicContact CB-CG 4.14Å; R306-F337 HydrophobicContact CG-CD2 4.49Å; R306-F337 HydrophobicContact CG-CE2 4.48Å; R306-F337 CarbonylContact O-C 3.25Å; R306-F337 WeakPolarHBondContact O-CA 3.46Å; L308-F337 HydrophobicContact CD2-CD1 3.51Å; L308-F337 HydrophobicContact CD2-CE1 4.11Å; L308-F337 HydrophobicContact CD2-CG 4.33Å; L308-F337 HydrophobicContact CG-CB 4.32Å; L308-F337 HydrophobicContact CG-CD1 3.95Å; Y332-F337 HydrophobicContact CG-CD2 4.36Å; Y332-F337 PolarHBondContact O-N 3.24Å; L335-F337 HydrophobicContact CB-CD2 3.87Å; L335-F337 HydrophobicContact CB-CE2 4.09Å; L335-F337 HydrophobicContact CD1-CE2 4.38Å
338	R	97.4	Very high	97.3	Very high	175 Å²	175	44.1 Å²	44.1	66%	0.66	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	157.4	169.5	72	-175.4	-177.2	-143	-1.1	110.6	R306 L307 L308	R306-R338 PolarHBondContact O-N 3.2Å; L307-R338 CarbonylContact C-O 3.45Å; L307-R338 WeakPolarHBondContact CA-O 3.33Å; L307-R338 HydrophobicContact CD1-CG 3.57Å; L308-R338 PolarHBondContact N-O 3.22Å
339	I	98.4	Very high	97.2	Very high	23 Å²	23	49.8 Å²	49.8	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.6	172.6	-59.9	169.7	0	0	0	108.3	L308 V325 A329 T343 L344 M347 V383	L308-I339 HydrophobicContact CB-CG1 4.37Å; L308-I339 HydrophobicContact CD1-CG1 4.2Å; V325-I339 HydrophobicContact CG1-CD1 3.8Å; V325-I339 HydrophobicContact CG1-CG1 3.95Å; V325-I339 HydrophobicContact CG1-CG2 4.23Å; A329-I339 HydrophobicContact CB-CD1 4.12Å; A329-I339 HydrophobicContact CB-CG1 4.24Å; I339-T343 HydrophobicContact CG2-CG2 3.96Å; I339-L344 HydrophobicContact CG2-CB 4.08Å; I339-M347 HydrophobicContact CG2-SD 4.44Å; I339-V383 HydrophobicContact CD1-CB 4.15Å; I339-V383 HydrophobicContact CD1-CG1 3.36Å; I339-V383 HydrophobicContact CD1-CG2 3.6Å
340	A	98.1	Very high	97	Very high	3 Å²	3	50 Å²	50	3%	0.025	25%	0.252	C	S	.	.			trans	-67.9	142.5	175.2	0	0	0	0	0	111.3	L307 L308 R309 E342 T343 L344	L307-A340 HydrophobicContact CD1-CB 3.9Å; L307-A340 HydrophobicContact CD2-CB 3.73Å; L307-A340 HydrophobicContact CG-CB 3.74Å; L308-A340 PolarHBondContact O-N 2.71Å; R309-A340 HydrophobicContact CB-CB 4.05Å; R309-A340 HydrophobicContact CG-CB 4.32Å; A340-E342 VanDerWaalsContact C-N 3.3Å; A340-E342 WeakPolarHBondContact CB-OE1 2.92Å; A340-E342 PolarHBondContact O-N 2.72Å; A340-T343 WeakPolarHBondContact O-CA 3.1Å; A340-T343 WeakPolarHBondContact O-CB 3.37Å; A340-T343 PolarHBondContact O-N 3.34Å; A340-L344 PolarHBondContact O-N 3.4Å
341	D	97.6	Very high	96.9	Very high	136 Å²	136	50.6 Å²	50.6	73%	0.727	26%	0.256	S	S	*	.	H	α-helix	trans	-58	-42.2	-172.6	-67.5	-27.4	0	0	0	112.3	T343 L344 A345	D341-T343 VanDerWaalsContact C-N 3.29Å; D341-T343 PolarHBondContact O-N 3.35Å; D341-L344 PolarHBondContact O-N 3.3Å; D341-A345 WeakPolarHBondContact O-CB 3.45Å; D341-A345 PolarHBondContact O-N 2.94Å
342	E	97.1	Very high	96.8	Very high	75 Å²	75	53.8 Å²	53.8	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-69.5	-27	177.2	73	-64.2	148.5	0	0	113.1	R309 A340 L346	R309-E342 WeakPolarHBondContact CG-OE1 3.21Å; R309-E342 IonicContact CZ-OE1 2.95Å; R309-E342 IonicContact NE-OE1 3.81Å; R309-E342 IonicContact NH1-OE1 3.84Å; R309-E342 PolarHBondContact NH1-OE1 2.99Å; R309-E342 IonicContact NH1-OE2 3.97Å; R309-E342 PolarHBondContact NH1-OE2 3.24Å; A340-E342 VanDerWaalsContact C-N 3.3Å; A340-E342 WeakPolarHBondContact CB-OE1 2.92Å; A340-E342 PolarHBondContact O-N 2.72Å; E342-L346 WeakPolarHBondContact O-CB 3.43Å; E342-L346 PolarHBondContact O-N 3.23Å
343	T	97.8	Very high	96.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-73.1	-41.9	173.7	-58.2	0	0	0	0	110.8	R309 H310 I339 A340 D341 A345 L346 M347	R309-T343 WeakPolarHBondContact CA-OG1 3Å; H310-T343 HydrophobicContact CB-CG2 4.13Å; H310-T343 PolarHBondContact N-OG1 2.88Å; H310-T343 PolarHBondContact ND1-OG1 2.68Å; I339-T343 HydrophobicContact CG2-CG2 3.96Å; A340-T343 WeakPolarHBondContact O-CA 3.1Å; A340-T343 WeakPolarHBondContact O-CB 3.37Å; A340-T343 PolarHBondContact O-N 3.34Å; D341-T343 VanDerWaalsContact C-N 3.29Å; D341-T343 PolarHBondContact O-N 3.35Å; T343-A345 VanDerWaalsContact C-N 3.34Å; T343-L346 PolarHBondContact O-N 3Å; T343-M347 HydrophobicContact CG2-SD 4.25Å; T343-M347 VanDerWaalsContact O-CG 3.24Å; T343-M347 WeakPolarHBondContact O-CG 3.44Å; T343-M347 PolarHBondContact O-N 2.93Å
344	L	97.5	Very high	96.4	Very high	26 Å²	26	56.3 Å²	56.3	14%	0.136	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-38	174.8	-174.9	61.9	0	0	0	111.7	I339 A340 D341 M347 R348 D386 C387	I339-L344 HydrophobicContact CG2-CB 4.08Å; A340-L344 PolarHBondContact O-N 3.4Å; D341-L344 PolarHBondContact O-N 3.3Å; L344-M347 PolarHBondContact O-N 3.12Å; L344-R348 WeakPolarHBondContact O-CG 3.39Å; L344-R348 PolarHBondContact O-N 3.17Å; L344-D386 HydrophobicContact CD1-CB 4.37Å; L344-C387 HydrophobicContact CD1-CB 4.11Å
345	A	97.2	Very high	96.2	Very high	37 Å²	37	55.3 Å²	55.3	31%	0.306	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-48.5	173	0	0	0	0	0	111.6	D341 T343 M347 R348 E349	D341-A345 WeakPolarHBondContact O-CB 3.45Å; D341-A345 PolarHBondContact O-N 2.94Å; T343-A345 VanDerWaalsContact C-N 3.34Å; A345-M347 VanDerWaalsContact C-N 3.33Å; A345-M347 PolarHBondContact O-N 3.45Å; A345-R348 WeakPolarHBondContact O-CB 3.47Å; A345-R348 PolarHBondContact O-N 3.43Å; A345-R348 VanDerWaalsContact O-N 3.11Å; A345-E349 WeakPolarHBondContact O-CG 3.46Å; A345-E349 PolarHBondContact O-N 3.25Å
346	L	96.3	Very high	96	Very high	32 Å²	32	53.2 Å²	53.2	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-41.7	176.4	-178.7	60.2	0	0	0	112.2	F315 E342 T343 R348 E349 M350	F315-L346 HydrophobicContact CB-CD2 3.94Å; F315-L346 HydrophobicContact CD1-CD2 3.63Å; F315-L346 HydrophobicContact CD1-CG 4.18Å; F315-L346 HydrophobicContact CE1-CD2 4.5Å; F315-L346 HydrophobicContact CG-CD2 4.05Å; E342-L346 WeakPolarHBondContact O-CB 3.43Å; E342-L346 PolarHBondContact O-N 3.23Å; T343-L346 PolarHBondContact O-N 3Å; L346-R348 VanDerWaalsContact C-N 3.31Å; L346-R348 PolarHBondContact O-N 3.23Å; L346-E349 PolarHBondContact O-N 3.01Å; L346-M350 HydrophobicContact CD1-CG 4.42Å; L346-M350 HydrophobicContact CG-SD 4.26Å; L346-M350 VanDerWaalsContact O-CG 3.3Å; L346-M350 WeakPolarHBondContact O-CG 3.33Å; L346-M350 PolarHBondContact O-N 3.1Å
347	M	97.4	Very high	95.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-38.2	175.5	-70	165.9	65.5	0	0	112.4	F315 V322 V325 I339 T343 L344 A345 T351 V383 C387	F315-M347 HydrophobicContact CE1-CG 4.19Å; F315-M347 HydrophobicContact CZ-CG 4.35Å; V322-M347 HydrophobicContact CG1-CB 4.39Å; V322-M347 HydrophobicContact CG1-CE 3.77Å; V322-M347 HydrophobicContact CG1-CG 4.4Å; V322-M347 HydrophobicContact CG2-CB 4.4Å; V322-M347 HydrophobicContact CG2-CG 4.21Å; V325-M347 HydrophobicContact CB-CE 4.24Å; V325-M347 HydrophobicContact CB-SD 4.04Å; V325-M347 HydrophobicContact CG1-CE 4.19Å; V325-M347 HydrophobicContact CG1-SD 3.73Å; I339-M347 HydrophobicContact CG2-SD 4.44Å; T343-M347 HydrophobicContact CG2-SD 4.25Å; T343-M347 VanDerWaalsContact O-CG 3.24Å; T343-M347 WeakPolarHBondContact O-CG 3.44Å; T343-M347 PolarHBondContact O-N 2.93Å; L344-M347 PolarHBondContact O-N 3.12Å; A345-M347 VanDerWaalsContact C-N 3.33Å; A345-M347 PolarHBondContact O-N 3.45Å; M347-T351 WeakPolarHBondContact O-CB 3.13Å; M347-T351 PolarHBondContact O-N 3.22Å; M347-T351 VanDerWaalsContact O-N 3.1Å; M347-T351 PolarHBondContact O-OG1 3.49Å; M347-V383 HydrophobicContact CE-CG1 3.75Å; M347-C387 HydrophobicContact CB-CB 3.92Å; M347-C387 HydrophobicContact CE-CB 4.4Å
348	R	97.2	Very high	95.1	Very high	102 Å²	102	62.3 Å²	62.3	39%	0.385	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-47.5	173.4	-74.4	173.2	-176.3	137.2	1.2	110.9	L344 A345 L346 M350 T351 H352 D386 C387	L344-R348 WeakPolarHBondContact O-CG 3.39Å; L344-R348 PolarHBondContact O-N 3.17Å; A345-R348 WeakPolarHBondContact O-CB 3.47Å; A345-R348 PolarHBondContact O-N 3.43Å; A345-R348 VanDerWaalsContact O-N 3.11Å; L346-R348 VanDerWaalsContact C-N 3.31Å; L346-R348 PolarHBondContact O-N 3.23Å; R348-M350 PolarHBondContact O-N 3.4Å; R348-T351 WeakPolarHBondContact O-CB 3.38Å; R348-T351 PolarHBondContact O-N 2.86Å; R348-T351 VanDerWaalsContact O-N 3.14Å; R348-H352 PolarHBondContact O-CD2 3.38Å; R348-H352 PolarHBondContact O-N 2.91Å; R348-D386 PolarHBondContact NE-O 3.09Å; R348-D386 PolarHBondContact NH2-O 3.44Å; R348-C387 HydrophobicContact CG-CB 4.06Å
349	E	96.1	Very high	94.9	Very high	127 Å²	127	54.8 Å²	54.8	59%	0.593	28%	0.282	S	S	*	.	H	α-helix	trans	-57.5	-48.3	178.7	-71.6	174.1	-174	0	0	111.8	A345 L346 T351 H352 A353	A345-E349 WeakPolarHBondContact O-CG 3.46Å; A345-E349 PolarHBondContact O-N 3.25Å; L346-E349 PolarHBondContact O-N 3.01Å; E349-T351 VanDerWaalsContact C-N 3.28Å; E349-T351 PolarHBondContact O-N 3.47Å; E349-H352 PolarHBondContact O-N 3.47Å; E349-A353 WeakPolarHBondContact O-CB 3.5Å; E349-A353 PolarHBondContact O-N 3.25Å
350	M	94.5	Very high	94.6	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.044	29%	0.293	C	S	.	.	H	α-helix	trans	-59.2	-39.3	175.8	-67.6	174.1	72.4	0	0	112.3	F315 V322 L346 R348 A353 E355 L356	F315-M350 HydrophobicContact CD1-SD 3.68Å; F315-M350 HydrophobicContact CE1-SD 3.73Å; V322-M350 HydrophobicContact CG2-CE 4.19Å; V322-M350 HydrophobicContact CG2-SD 4.16Å; L346-M350 HydrophobicContact CD1-CG 4.42Å; L346-M350 HydrophobicContact CG-SD 4.26Å; L346-M350 VanDerWaalsContact O-CG 3.3Å; L346-M350 WeakPolarHBondContact O-CG 3.33Å; L346-M350 PolarHBondContact O-N 3.1Å; R348-M350 PolarHBondContact O-N 3.4Å; M350-A353 PolarHBondContact O-N 2.84Å; M350-E355 WeakPolarHBondContact O-CB 3.38Å; M350-E355 PolarHBondContact O-N 3.23Å; M350-L356 HydrophobicContact CB-CD1 4.5Å
351	T	94.9	Very high	94.5	Very high	13 Å²	13	58.5 Å²	58.5	8%	0.08	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-45.4	176.8	-57.7	0	0	0	0	111.6	M347 R348 E349 A353 G354 L356 C387 A389 V392	M347-T351 WeakPolarHBondContact O-CB 3.13Å; M347-T351 PolarHBondContact O-N 3.22Å; M347-T351 VanDerWaalsContact O-N 3.1Å; M347-T351 PolarHBondContact O-OG1 3.49Å; R348-T351 WeakPolarHBondContact O-CB 3.38Å; R348-T351 PolarHBondContact O-N 2.86Å; R348-T351 VanDerWaalsContact O-N 3.14Å; E349-T351 VanDerWaalsContact C-N 3.28Å; E349-T351 PolarHBondContact O-N 3.47Å; T351-A353 VanDerWaalsContact C-N 3.28Å; T351-A353 PolarHBondContact O-N 3.42Å; T351-G354 PolarHBondContact O-N 3.45Å; T351-G354 VanDerWaalsContact O-N 3.16Å; T351-L356 HydrophobicContact CG2-CD2 4.35Å; T351-C387 PolarHBondContact OG1-O 2.87Å; T351-A389 HydrophobicContact CG2-CB 4.39Å; T351-V392 HydrophobicContact CG2-CG2 4.17Å
352	H	94.7	Very high	94.4	Very high	146 Å²	146	56.9 Å²	56.9	68%	0.676	29%	0.294	S	S	*	.	H	α-helix	trans	-66.1	-29.6	177.4	-75.1	-64.5	0	0	0	113.1	R348 E349 G354	R348-H352 PolarHBondContact O-CD2 3.38Å; R348-H352 PolarHBondContact O-N 2.91Å; E349-H352 PolarHBondContact O-N 3.47Å; H352-G354 PolarHBondContact O-N 3.08Å
353	A	93.8	Very high	94.2	Very high	69 Å²	69	55.5 Å²	55.5	57%	0.57	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.3	175	0	0	0	0	0	114	E349 M350 T351 E355	E349-A353 WeakPolarHBondContact O-CB 3.5Å; E349-A353 PolarHBondContact O-N 3.25Å; M350-A353 PolarHBondContact O-N 2.84Å; T351-A353 VanDerWaalsContact C-N 3.28Å; T351-A353 PolarHBondContact O-N 3.42Å; A353-E355 VanDerWaalsContact C-N 3.3Å; A353-E355 HydrophobicContact CB-CG 4.15Å; A353-E355 PolarHBondContact O-N 3.37Å
354	G	92.5	Very high	94.2	Very high	14 Å²	14	55.7 Å²	55.7	14%	0.144	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	11.5	-179.9	0	0	0	0	0	114.2	T351 H352 L356 E357 H358	T351-G354 PolarHBondContact O-N 3.45Å; T351-G354 VanDerWaalsContact O-N 3.16Å; H352-G354 PolarHBondContact O-N 3.08Å; G354-L356 PolarHBondContact O-N 2.84Å; G354-E357 WeakPolarHBondContact O-CB 3.11Å; G354-E357 PolarHBondContact O-N 3.33Å; G354-H358 PolarHBondContact O-ND1 2.95Å
355	E	90.3	Very high	94.2	Very high	58 Å²	58	55.1 Å²	55.1	27%	0.271	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-61.6	-32.7	-177	-70.2	-69.5	156.9	0	0	112.3	K253 P319 M350 A353 E357 H358	K253-E355 IonicContact NZ-OE2 3.3Å; P319-E355 HydrophobicContact CB-CB 4.14Å; P319-E355 HydrophobicContact CG-CB 3.82Å; P319-E355 WeakPolarHBondContact CG-O 3.43Å; M350-E355 WeakPolarHBondContact O-CB 3.38Å; M350-E355 PolarHBondContact O-N 3.23Å; A353-E355 VanDerWaalsContact C-N 3.3Å; A353-E355 HydrophobicContact CB-CG 4.15Å; A353-E355 PolarHBondContact O-N 3.37Å; E355-E357 VanDerWaalsContact C-N 3.28Å; E355-E357 PolarHBondContact O-N 2.69Å; E355-H358 PolarHBondContact O-N 2.73Å
356	L	92	Very high	94.2	Very high	3 Å²	3	60 Å²	60	2%	0.016	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-68.1	-24.4	-178.8	-78.8	65.1	0	0	0	113.4	P319 V322 M350 T351 G354 H358 L359 A389 V392 L393	P319-L356 HydrophobicContact CB-CD1 4.44Å; V322-L356 HydrophobicContact CG1-CD2 4.42Å; V322-L356 HydrophobicContact CG2-CD1 4.28Å; M350-L356 HydrophobicContact CB-CD1 4.5Å; T351-L356 HydrophobicContact CG2-CD2 4.35Å; G354-L356 PolarHBondContact O-N 2.84Å; L356-H358 PolarHBondContact O-N 3.36Å; L356-L359 HydrophobicContact CG-CD1 4.41Å; L356-L359 WeakPolarHBondContact O-CB 3.32Å; L356-L359 PolarHBondContact O-N 3.48Å; L356-L359 VanDerWaalsContact O-N 3.16Å; L356-A389 HydrophobicContact CD2-CB 3.36Å; L356-V392 HydrophobicContact CB-CG1 4.23Å; L356-L393 HydrophobicContact CD2-CD1 4.18Å; L356-L393 HydrophobicContact CD2-CG 4.41Å
357	E	90.4	Very high	94.3	Very high	146 Å²	146	59.1 Å²	59.1	68%	0.682	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-66	-19.6	179.2	-62.1	178.5	-178.1	0	0	112.2	G354 E355 V392	G354-E357 WeakPolarHBondContact O-CB 3.11Å; G354-E357 PolarHBondContact O-N 3.33Å; E355-E357 VanDerWaalsContact C-N 3.28Å; E355-E357 PolarHBondContact O-N 2.69Å; E357-V392 HydrophobicContact CG-CG1 4.05Å
358	H	87.1	Confident	94.3	Very high	114 Å²	114	59.1 Å²	59.1	53%	0.528	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-88.7	-1.5	179.4	-56.5	89.7	0	0	0	113.3	G354 E355 L356	G354-H358 PolarHBondContact O-ND1 2.95Å; E355-H358 PolarHBondContact O-N 2.73Å; L356-H358 PolarHBondContact O-N 3.36Å
359	L	92.2	Very high	94.4	Very high	18 Å²	18	57.6 Å²	57.6	9%	0.094	29%	0.289	C	S	.	.	S	Bend	trans	-73.1	131.2	177.5	-71.6	173.8	0	0	0	111.2	P319 L320 L323 L356 V364	P319-L359 HydrophobicContact CB-CD1 4.22Å; P319-L359 HydrophobicContact CB-CD2 4.01Å; P319-L359 HydrophobicContact CB-CG 4.04Å; L320-L359 HydrophobicContact CB-CD2 4.04Å; L320-L359 HydrophobicContact CD1-CD2 4.36Å; L323-L359 HydrophobicContact CD1-CD1 3.69Å; L356-L359 HydrophobicContact CG-CD1 4.41Å; L356-L359 WeakPolarHBondContact O-CB 3.32Å; L356-L359 PolarHBondContact O-N 3.48Å; L356-L359 VanDerWaalsContact O-N 3.16Å; L359-V364 HydrophobicContact CB-CG2 3.83Å; L359-V364 HydrophobicContact CD1-CG2 4.29Å
360	T	93	Very high	94.5	Very high	57 Å²	57	53.7 Å²	53.7	35%	0.35	28%	0.276	S	S	.	.			trans	-64.3	134.2	172.1	55.9	0	0	0	0	110.1	E362 R363 V364	T360-E362 PolarHBondContact O-N 3.13Å; T360-E362 VanDerWaalsContact O-N 3.13Å; T360-R363 PolarHBondContact O-N 3.25Å; T360-R363 WeakPolarHBondContact OG1-CB 3.44Å; T360-R363 VanDerWaalsContact OG1-CD 3.3Å; T360-R363 WeakPolarHBondContact OG1-CD 3.22Å; T360-R363 WeakPolarHBondContact OG1-CG 3.35Å; T360-V364 PolarHBondContact O-N 3.15Å
361	P	95	Very high	94.6	Very high	46 Å²	46	53.3 Å²	53.3	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-48.9	-39.3	179.1	-33.9	38.8	0	0	0	115.7	R363 V364 W365 R474 R476	P361-R363 PolarHBondContact O-N 2.91Å; P361-V364 WeakPolarHBondContact O-CB 3.36Å; P361-V364 PolarHBondContact O-N 3.41Å; P361-W365 PolarHBondContact O-N 3.11Å; P361-R474 WeakPolarHBondContact CB-O 3.46Å; P361-R474 WeakPolarHBondContact CG-O 3.2Å; P361-R476 HydrophobicContact CB-CG 4.14Å
362	E	94.7	Very high	94.8	Very high	102 Å²	102	52.7 Å²	52.7	48%	0.477	27%	0.27	S	S	.	.	H	α-helix	trans	-66.4	-36.7	-177.7	-62.4	78.9	-176.6	0	0	111.9	T360 K366 R476	T360-E362 PolarHBondContact O-N 3.13Å; T360-E362 VanDerWaalsContact O-N 3.13Å; E362-K366 WeakPolarHBondContact O-CB 2.79Å; E362-K366 PolarHBondContact O-N 3.23Å; E362-R476 HydrophobicContact CG-CB 4.43Å; E362-R476 HydrophobicContact CG-CG 4.36Å; E362-R476 WeakPolarHBondContact OE1-CG 3.27Å
363	R	94.5	Very high	94.9	Very high	47 Å²	47	49.7 Å²	49.7	18%	0.177	26%	0.262	C	S	.	.	H	α-helix	trans	-68.2	-40.1	174.3	-70	179.5	82.4	-154.6	0.9	110.7	D318 L320 T360 P361 K366 E367	D318-R363 IonicContact OD1-CZ 2.8Å; D318-R363 IonicContact OD1-NH1 3.58Å; D318-R363 PolarHBondContact OD1-NH1 2.84Å; D318-R363 VanDerWaalsContact OD1-NH1 3.16Å; D318-R363 IonicContact OD1-NH2 3.23Å; D318-R363 PolarHBondContact OD1-NH2 3Å; D318-R363 IonicContact OD2-CZ 3.89Å; D318-R363 IonicContact OD2-NH2 2.66Å; D318-R363 PolarHBondContact OD2-NH2 3.19Å; L320-R363 HydrophobicContact CD1-CB 3.88Å; L320-R363 HydrophobicContact CD2-CB 4.5Å; T360-R363 PolarHBondContact O-N 3.25Å; T360-R363 WeakPolarHBondContact OG1-CB 3.44Å; T360-R363 VanDerWaalsContact OG1-CD 3.3Å; T360-R363 WeakPolarHBondContact OG1-CD 3.22Å; T360-R363 WeakPolarHBondContact OG1-CG 3.35Å; P361-R363 PolarHBondContact O-N 2.91Å; R363-K366 PolarHBondContact O-N 2.93Å; R363-E367 PolarHBondContact O-N 3.13Å
364	V	97.3	Very high	95.1	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-48.2	175.1	175.1	0	0	0	0	110.4	L323 L359 T360 P361 E367 T368 L393 F394 L475	L323-V364 HydrophobicContact CD2-CB 4.21Å; L323-V364 HydrophobicContact CD2-CG1 3.98Å; L323-V364 HydrophobicContact CD2-CG2 4.3Å; L359-V364 HydrophobicContact CB-CG2 3.83Å; L359-V364 HydrophobicContact CD1-CG2 4.29Å; T360-V364 PolarHBondContact O-N 3.15Å; P361-V364 WeakPolarHBondContact O-CB 3.36Å; P361-V364 PolarHBondContact O-N 3.41Å; V364-E367 PolarHBondContact O-N 3.03Å; V364-T368 WeakPolarHBondContact O-CB 3.42Å; V364-T368 PolarHBondContact O-N 3.25Å; V364-T368 PolarHBondContact O-OG1 3.23Å; V364-L393 HydrophobicContact CG1-CD2 4.31Å; V364-L393 HydrophobicContact CG2-CD2 4.06Å; V364-F394 HydrophobicContact CG1-CZ 4.29Å; V364-L475 HydrophobicContact CB-CD2 4.24Å; V364-L475 HydrophobicContact CG1-CD2 3.79Å
365	W	97.8	Very high	95.2	Very high	15 Å²	15	54.8 Å²	54.8	6%	0.057	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-45.1	178.2	177.4	-108.7	0	0	0	112.4	P361 E367 T368 E369 L372 F437 L475 V477 P478 I481	P361-W365 PolarHBondContact O-N 3.11Å; W365-E367 VanDerWaalsContact C-N 3.32Å; W365-E367 PolarHBondContact O-N 3.36Å; W365-T368 HydrophobicContact CE3-CG2 4.41Å; W365-T368 HydrophobicContact CZ3-CG2 4.32Å; W365-T368 CarbonylContact O-C 3.59Å; W365-T368 WeakPolarHBondContact O-CA 3.45Å; W365-T368 WeakPolarHBondContact O-CB 3.45Å; W365-T368 PolarHBondContact O-N 3.16Å; W365-E369 HydrophobicContact CZ2-CB 4.19Å; W365-E369 WeakPolarHBondContact O-CB 3.46Å; W365-E369 PolarHBondContact O-N 2.96Å; W365-L372 HydrophobicContact CH2-CD1 4.38Å; W365-F437 AromaticContact CH2-CD2 3.96Å; W365-F437 HydrophobicContact CH2-CD2 3.96Å; W365-F437 HydrophobicContact CH2-CE2 4.13Å; W365-F437 HydrophobicContact CH2-CG 4.22Å; W365-F437 AromaticContact CZ3-CD2 3.86Å; W365-F437 HydrophobicContact CZ3-CD2 3.86Å; W365-F437 AromaticContact CZ3-CE2 3.65Å; W365-F437 HydrophobicContact CZ3-CE2 3.65Å; W365-F437 HydrophobicContact CZ3-CZ 4.18Å; W365-L475 WeakPolarHBondContact CB-O 3.27Å; W365-V477 HydrophobicContact CD2-CG2 3.98Å; W365-V477 HydrophobicContact CE3-CB 4.47Å; W365-V477 HydrophobicContact CE3-CG2 3.55Å; W365-V477 HydrophobicContact CH2-CB 4.43Å; W365-V477 HydrophobicContact CH2-CG1 3.65Å; W365-V477 HydrophobicContact CH2-CG2 4.1Å; W365-V477 HydrophobicContact CZ2-CG1 3.81Å; W365-V477 HydrophobicContact CZ3-CB 4.41Å; W365-V477 HydrophobicContact CZ3-CG1 4.05Å; W365-V477 HydrophobicContact CZ3-CG2 3.61Å; W365-P478 VanDerWaalsContact NE1-CD 3.31Å; W365-I481 HydrophobicContact CH2-CD1 4.31Å; W365-I481 HydrophobicContact CH2-CG2 4.18Å; W365-I481 HydrophobicContact CZ2-CD1 3.69Å
366	K	97.1	Very high	95.6	Very high	139 Å²	139	53.5 Å²	53.5	60%	0.604	26%	0.259	S	S	*	.	H	α-helix	trans	-57.5	-42.8	-179.8	-174	176.6	-178.2	178.5	0	112.8	E362 R363 S370	E362-K366 WeakPolarHBondContact O-CB 2.79Å; E362-K366 PolarHBondContact O-N 3.23Å; R363-K366 PolarHBondContact O-N 2.93Å; K366-S370 WeakPolarHBondContact O-CB 3.3Å; K366-S370 PolarHBondContact O-N 3.11Å; K366-S370 VanDerWaalsContact O-N 3.1Å; K366-S370 PolarHBondContact O-OG 2.79Å
367	E	97.7	Very high	95.9	Very high	14 Å²	14	53.4 Å²	53.4	7%	0.065	26%	0.258	C	S	.	.	H	α-helix	trans	-69.5	-37.2	175.7	-66.9	-63.9	157.4	0	0	111.7	L320 L323 R324 R327 R363 V364 W365 S370 A371	L320-E367 HydrophobicContact CD1-CG 3.71Å; L320-E367 HydrophobicContact CD2-CG 4.23Å; L320-E367 HydrophobicContact CG-CG 4.06Å; L323-E367 HydrophobicContact CB-CB 3.87Å; L323-E367 HydrophobicContact CB-CG 4.1Å; L323-E367 HydrophobicContact CD2-CB 3.98Å; R324-E367 HydrophobicContact CG-CG 4.44Å; R324-E367 WeakPolarHBondContact CG-OE1 3.49Å; R327-E367 WeakPolarHBondContact CD-OE2 3.3Å; R327-E367 IonicContact CZ-OE2 3.8Å; R327-E367 IonicContact NE-OE2 2.69Å; R327-E367 PolarHBondContact NE-OE2 3Å; R327-E367 IonicContact NH2-OE2 3.52Å; R327-E367 PolarHBondContact NH2-OE2 3.27Å; R363-E367 PolarHBondContact O-N 3.13Å; V364-E367 PolarHBondContact O-N 3.03Å; W365-E367 VanDerWaalsContact C-N 3.32Å; W365-E367 PolarHBondContact O-N 3.36Å; E367-S370 PolarHBondContact O-N 2.9Å; E367-A371 WeakPolarHBondContact O-CB 3.27Å; E367-A371 PolarHBondContact O-N 3.11Å
368	T	98.3	Very high	96.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-47.8	177.6	-54.5	0	0	0	0	111.9	V364 W365 S370 A371 L372 F380 F381 F394	V364-T368 WeakPolarHBondContact O-CB 3.42Å; V364-T368 PolarHBondContact O-N 3.25Å; V364-T368 PolarHBondContact O-OG1 3.23Å; W365-T368 HydrophobicContact CE3-CG2 4.41Å; W365-T368 HydrophobicContact CZ3-CG2 4.32Å; W365-T368 CarbonylContact O-C 3.59Å; W365-T368 WeakPolarHBondContact O-CA 3.45Å; W365-T368 WeakPolarHBondContact O-CB 3.45Å; W365-T368 PolarHBondContact O-N 3.16Å; T368-S370 VanDerWaalsContact C-N 3.32Å; T368-S370 PolarHBondContact O-N 2.91Å; T368-A371 WeakPolarHBondContact O-CB 3.42Å; T368-A371 PolarHBondContact O-N 3.43Å; T368-A371 VanDerWaalsContact O-N 3.16Å; T368-L372 HydrophobicContact CG2-CD1 4.17Å; T368-L372 VanDerWaalsContact O-CG 3.3Å; T368-L372 WeakPolarHBondContact O-CG 3.38Å; T368-L372 PolarHBondContact O-N 2.82Å; T368-F380 HydrophobicContact CG2-CE1 4.24Å; T368-F381 HydrophobicContact CG2-CZ 4.02Å; T368-F394 HydrophobicContact CG2-CE1 4.28Å; T368-F394 HydrophobicContact CG2-CZ 3.89Å; T368-F394 WeakPolarHBondContact OG1-CZ 3.39Å
369	E	98.2	Very high	96.8	Very high	70 Å²	70	44.2 Å²	44.2	33%	0.327	22%	0.218	S	C	.	.	H	α-helix	trans	-56.9	-47.2	174.1	176.8	172	-122.9	0	0	110.5	W365 A371 L372 T373 V433	W365-E369 HydrophobicContact CZ2-CB 4.19Å; W365-E369 WeakPolarHBondContact O-CB 3.46Å; W365-E369 PolarHBondContact O-N 2.96Å; E369-A371 VanDerWaalsContact C-N 3.32Å; E369-A371 PolarHBondContact O-N 3.01Å; E369-L372 WeakPolarHBondContact O-CB 3.46Å; E369-L372 PolarHBondContact O-N 3.45Å; E369-T373 WeakPolarHBondContact O-CG2 3.41Å; E369-T373 PolarHBondContact O-N 3.46Å; E369-V433 HydrophobicContact CG-CG1 4.31Å
370	S	97.4	Very high	97.1	Very high	45 Å²	45	43.4 Å²	43.4	32%	0.315	21%	0.214	S	C	.	.	H	α-helix	trans	-61.3	-40.9	176.6	-60.5	0	0	0	0	111.8	K366 E367 T368 T373	K366-S370 WeakPolarHBondContact O-CB 3.3Å; K366-S370 PolarHBondContact O-N 3.11Å; K366-S370 VanDerWaalsContact O-N 3.1Å; K366-S370 PolarHBondContact O-OG 2.79Å; E367-S370 PolarHBondContact O-N 2.9Å; T368-S370 VanDerWaalsContact C-N 3.32Å; T368-S370 PolarHBondContact O-N 2.91Å; S370-T373 PolarHBondContact O-N 2.99Å; S370-T373 PolarHBondContact O-OG1 3.36Å
371	A	98.3	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-39.2	175.3	0	0	0	0	0	112.5	R327 E367 T368 E369 T373 T374 P377 F380	R327-A371 HydrophobicContact CB-CB 4.29Å; R327-A371 HydrophobicContact CG-CB 4.19Å; E367-A371 WeakPolarHBondContact O-CB 3.27Å; E367-A371 PolarHBondContact O-N 3.11Å; T368-A371 WeakPolarHBondContact O-CB 3.42Å; T368-A371 PolarHBondContact O-N 3.43Å; T368-A371 VanDerWaalsContact O-N 3.16Å; E369-A371 VanDerWaalsContact C-N 3.32Å; E369-A371 PolarHBondContact O-N 3.01Å; A371-T373 PolarHBondContact O-N 3.41Å; A371-T374 WeakPolarHBondContact O-CB 3.48Å; A371-T374 WeakPolarHBondContact O-CG2 3.39Å; A371-T374 PolarHBondContact O-N 2.84Å; A371-T374 PolarHBondContact O-OG1 3.44Å; A371-P377 WeakPolarHBondContact O-CB 3.34Å; A371-F380 HydrophobicContact CB-CB 3.81Å; A371-F380 HydrophobicContact CB-CD1 4.02Å; A371-F380 HydrophobicContact CB-CD2 3.35Å; A371-F380 HydrophobicContact CB-CE1 4.41Å; A371-F380 HydrophobicContact CB-CE2 3.82Å; A371-F380 HydrophobicContact CB-CG 3.47Å; A371-F380 VanDerWaalsContact CB-CG 3.47Å; A371-F380 HydrophobicContact CB-CZ 4.32Å
372	L	98.4	Very high	97.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-25.1	176.8	-73.5	166.2	0	0	0	112.7	W365 T368 E369 T374 P377 F381 L423 V433 R436 F437	W365-L372 HydrophobicContact CH2-CD1 4.38Å; T368-L372 HydrophobicContact CG2-CD1 4.17Å; T368-L372 VanDerWaalsContact O-CG 3.3Å; T368-L372 WeakPolarHBondContact O-CG 3.38Å; T368-L372 PolarHBondContact O-N 2.82Å; E369-L372 WeakPolarHBondContact O-CB 3.46Å; E369-L372 PolarHBondContact O-N 3.45Å; L372-T374 VanDerWaalsContact C-N 3.31Å; L372-P377 HydrophobicContact CD2-CB 4.42Å; L372-F381 HydrophobicContact CD2-CE2 4.17Å; L372-L423 HydrophobicContact CD2-CD1 4.05Å; L372-V433 HydrophobicContact CB-CG1 4.19Å; L372-V433 HydrophobicContact CD1-CG1 4.05Å; L372-R436 HydrophobicContact CD2-CB 4.26Å; L372-R436 WeakPolarHBondContact O-CD 3.3Å; L372-R436 PolarHBondContact O-NH1 3.43Å; L372-F437 HydrophobicContact CD1-CB 4.01Å; L372-F437 HydrophobicContact CD1-CD2 3.92Å; L372-F437 HydrophobicContact CD1-CG 4.41Å
373	T	97.3	Very high	97.7	Very high	84 Å²	84	37.5 Å²	37.5	52%	0.515	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.7	175	68.1	0	0	0	0	114.3	E369 S370 A371 V433 R436	E369-T373 WeakPolarHBondContact O-CG2 3.41Å; E369-T373 PolarHBondContact O-N 3.46Å; S370-T373 PolarHBondContact O-N 2.99Å; S370-T373 PolarHBondContact O-OG1 3.36Å; A371-T373 PolarHBondContact O-N 3.41Å; T373-V433 HydrophobicContact CG2-CG2 3.56Å; T373-R436 VanDerWaalsContact C-NH1 3.32Å; T373-R436 PolarHBondContact O-NH1 2.86Å
374	T	96.8	Very high	97.9	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.086	17%	0.17	C	C	.	.	S	Bend	trans	-72.1	170.7	-176.4	68.3	0	0	0	0	112.4	A330 R331 A371 L372 N376 R436	A330-T374 HydrophobicContact CB-CG2 4.39Å; R331-T374 HydrophobicContact CB-CG2 3.97Å; A371-T374 WeakPolarHBondContact O-CB 3.48Å; A371-T374 WeakPolarHBondContact O-CG2 3.39Å; A371-T374 PolarHBondContact O-N 2.84Å; A371-T374 PolarHBondContact O-OG1 3.44Å; L372-T374 VanDerWaalsContact C-N 3.31Å; T374-N376 VanDerWaalsContact C-N 3.32Å; T374-R436 PolarHBondContact O-NH1 3.37Å
375	R	95.8	Very high	98	Very high	176 Å²	176	39.1 Å²	39.1	66%	0.664	19%	0.185	S	C	*	.	S	Bend	trans	-70.8	-28.3	175.5	-174.5	173.7	-179.6	-178.7	0	112.8	P377	R375-P377 VanDerWaalsContact C-CD 3.44Å
376	N	98	Very high	97.9	Very high	31 Å²	31	41.7 Å²	41.7	17%	0.166	20%	0.2	C	C	.	.			trans	-129.2	58.9	-174.1	-59.6	101.6	0	0	0	111.3	A330 A333 T374 Q378 V379	A330-N376 WeakPolarHBondContact CB-O 3.38Å; A333-N376 HydrophobicContact CB-CB 3.8Å; T374-N376 VanDerWaalsContact C-N 3.32Å; N376-Q378 VanDerWaalsContact CA-OE1 3.22Å; N376-Q378 PolarHBondContact O-N 3.03Å; N376-Q378 VanDerWaalsContact O-N 3.17Å; N376-V379 HydrophobicContact CB-CG2 3.96Å; N376-V379 WeakPolarHBondContact O-CB 3.4Å; N376-V379 PolarHBondContact O-N 3.26Å
377	P	98.5	Very high	98	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-26	-174.7	26.5	-34.7	0	0	0	113.4	A371 L372 R375 V379 F380 L423 A427	A371-P377 WeakPolarHBondContact O-CB 3.34Å; L372-P377 HydrophobicContact CD2-CB 4.42Å; R375-P377 VanDerWaalsContact C-CD 3.44Å; P377-V379 PolarHBondContact O-N 2.94Å; P377-F380 VanDerWaalsContact O-CB 3.27Å; P377-F380 WeakPolarHBondContact O-CB 3.44Å; P377-F380 PolarHBondContact O-N 2.98Å; P377-F380 VanDerWaalsContact O-N 3.1Å; P377-L423 HydrophobicContact CB-CD1 4.37Å; P377-L423 HydrophobicContact CB-CD2 4.25Å; P377-L423 HydrophobicContact CB-CG 4.32Å; P377-L423 HydrophobicContact CG-CD1 3.99Å; P377-L423 HydrophobicContact CG-CD2 4.43Å; P377-L423 HydrophobicContact CG-CG 3.97Å; P377-A427 HydrophobicContact CG-CB 3.65Å
378	Q	98.4	Very high	98	Very high	31 Å²	31	35.6 Å²	35.6	15%	0.145	18%	0.18	C	C	.	.	H	α-helix	trans	-58.5	-29.8	174.4	73.6	-78.3	9.5	0	0	113.3	N376 F380 F381 Q382 L420 L423 S424	N376-Q378 VanDerWaalsContact CA-OE1 3.22Å; N376-Q378 PolarHBondContact O-N 3.03Å; N376-Q378 VanDerWaalsContact O-N 3.17Å; Q378-F380 VanDerWaalsContact C-N 3.27Å; Q378-F380 PolarHBondContact O-N 3.28Å; Q378-F381 PolarHBondContact O-N 3.04Å; Q378-Q382 PolarHBondContact O-N 3.47Å; Q378-L420 HydrophobicContact CB-CB 4.15Å; Q378-L420 HydrophobicContact CB-CD2 4.44Å; Q378-L420 VanDerWaalsContact CB-O 3.29Å; Q378-L420 WeakPolarHBondContact CB-O 3.31Å; Q378-L423 HydrophobicContact CB-CD2 4.46Å; Q378-S424 VanDerWaalsContact CD-CB 3.44Å; Q378-S424 PolarHBondContact NE2-OG 3.33Å
379	V	98.5	Very high	97.9	Very high	37 Å²	37	35.6 Å²	35.6	22%	0.224	18%	0.18	C	C	.	.	H	α-helix	trans	-67.2	-31.2	179	174.1	0	0	0	0	110.9	A329 A330 A333 N376 P377 Q382 V383	A329-V379 HydrophobicContact CB-CG1 4.01Å; A330-V379 HydrophobicContact CB-CB 4.27Å; A333-V379 HydrophobicContact CB-CG1 4.45Å; A333-V379 HydrophobicContact CB-CG2 3.93Å; N376-V379 HydrophobicContact CB-CG2 3.96Å; N376-V379 WeakPolarHBondContact O-CB 3.4Å; N376-V379 PolarHBondContact O-N 3.26Å; P377-V379 PolarHBondContact O-N 2.94Å; V379-Q382 PolarHBondContact O-N 3.44Å; V379-V383 HydrophobicContact CG1-CG2 4.16Å; V379-V383 WeakPolarHBondContact O-CB 3.29Å; V379-V383 VanDerWaalsContact O-CG2 3.27Å; V379-V383 WeakPolarHBondContact O-CG2 3.39Å; V379-V383 PolarHBondContact O-N 3.24Å
380	F	98.7	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.9	-52.3	175	175.1	-98.2	0	0	0	110.7	L323 A326 R327 A330 T368 A371 P377 Q378 V383 L384 F394	L323-F380 HydrophobicContact CB-CE2 4.37Å; L323-F380 HydrophobicContact CD2-CZ 4.49Å; L323-F380 WeakPolarHBondContact O-CE2 3.4Å; A326-F380 HydrophobicContact CB-CD2 3.54Å; A326-F380 HydrophobicContact CB-CE2 3.84Å; A326-F380 HydrophobicContact CB-CG 4.3Å; R327-F380 HydrophobicContact CB-CD2 4.23Å; R327-F380 HydrophobicContact CB-CE2 4.33Å; A330-F380 HydrophobicContact CB-CB 3.96Å; T368-F380 HydrophobicContact CG2-CE1 4.24Å; A371-F380 HydrophobicContact CB-CB 3.81Å; A371-F380 HydrophobicContact CB-CD1 4.02Å; A371-F380 HydrophobicContact CB-CD2 3.35Å; A371-F380 HydrophobicContact CB-CE1 4.41Å; A371-F380 HydrophobicContact CB-CE2 3.82Å; A371-F380 HydrophobicContact CB-CG 3.47Å; A371-F380 VanDerWaalsContact CB-CG 3.47Å; A371-F380 HydrophobicContact CB-CZ 4.32Å; P377-F380 VanDerWaalsContact O-CB 3.27Å; P377-F380 WeakPolarHBondContact O-CB 3.44Å; P377-F380 PolarHBondContact O-N 2.98Å; P377-F380 VanDerWaalsContact O-N 3.1Å; Q378-F380 VanDerWaalsContact C-N 3.27Å; Q378-F380 PolarHBondContact O-N 3.28Å; F380-V383 PolarHBondContact O-N 2.74Å; F380-L384 HydrophobicContact CD1-CD1 3.93Å; F380-L384 HydrophobicContact CE1-CD1 3.41Å; F380-L384 VanDerWaalsContact CE1-CD1 3.41Å; F380-L384 HydrophobicContact CE1-CG 4.33Å; F380-L384 HydrophobicContact CE2-CD1 4.47Å; F380-L384 HydrophobicContact CZ-CD1 3.73Å; F380-L384 HydrophobicContact CZ-CG 4.45Å; F380-L384 WeakPolarHBondContact O-CG 3.43Å; F380-L384 PolarHBondContact O-N 3.1Å; F380-F394 HydrophobicContact CE1-CE2 4.45Å
381	F	98.6	Very high	97.9	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-68.6	-35.3	-179.9	-64.9	-78.6	0	0	0	112.3	T368 L372 Q378 L384 R385 L390 F394 I397 L420 L423 L440	T368-F381 HydrophobicContact CG2-CZ 4.02Å; L372-F381 HydrophobicContact CD2-CE2 4.17Å; Q378-F381 PolarHBondContact O-N 3.04Å; F381-L384 PolarHBondContact O-N 2.79Å; F381-R385 WeakPolarHBondContact O-CB 3.38Å; F381-R385 PolarHBondContact O-N 3.34Å; F381-L390 HydrophobicContact CB-CD1 4.36Å; F381-L390 HydrophobicContact CD1-CD1 3.78Å; F381-F394 HydrophobicContact CE1-CD1 4.45Å; F381-F394 HydrophobicContact CE1-CD2 4.26Å; F381-F394 HydrophobicContact CE1-CE1 4.33Å; F381-F394 HydrophobicContact CE1-CE2 4.17Å; F381-F394 HydrophobicContact CE1-CG 4.41Å; F381-F394 HydrophobicContact CE1-CZ 4.22Å; F381-I397 HydrophobicContact CD1-CD1 4.05Å; F381-I397 HydrophobicContact CE1-CD1 3.83Å; F381-L420 HydrophobicContact CB-CD2 3.68Å; F381-L423 HydrophobicContact CD2-CD2 3.62Å; F381-L423 HydrophobicContact CE2-CD2 3.7Å; F381-L440 HydrophobicContact CD1-CD2 4.45Å; F381-L440 HydrophobicContact CD2-CD1 4.25Å; F381-L440 HydrophobicContact CD2-CD2 4.35Å; F381-L440 HydrophobicContact CE1-CD2 3.7Å; F381-L440 HydrophobicContact CE2-CD1 4.25Å; F381-L440 HydrophobicContact CE2-CD2 3.58Å; F381-L440 HydrophobicContact CG-CD1 4.48Å; F381-L440 HydrophobicContact CZ-CD1 4.48Å; F381-L440 HydrophobicContact CZ-CD2 3.21Å; F381-L440 HydrophobicContact CZ-CG 4.46Å
382	Q	98.3	Very high	97.8	Very high	70 Å²	70	39.8 Å²	39.8	33%	0.327	19%	0.191	S	C	.	.	H	α-helix	trans	-61.3	-47.9	172.9	-173.8	60.5	56.4	0	0	111.4	Q378 V379 L384 R385 D386 L420	Q378-Q382 PolarHBondContact O-N 3.47Å; V379-Q382 PolarHBondContact O-N 3.44Å; Q382-L384 VanDerWaalsContact C-N 3.35Å; Q382-L384 PolarHBondContact O-N 3Å; Q382-R385 CarbonylContact O-C 3.52Å; Q382-R385 WeakPolarHBondContact O-CA 3.49Å; Q382-R385 WeakPolarHBondContact O-CB 3.4Å; Q382-R385 PolarHBondContact O-N 3.4Å; Q382-D386 PolarHBondContact NE2-OD1 2.97Å; Q382-D386 PolarHBondContact O-N 2.98Å; Q382-L420 HydrophobicContact CB-CD1 4.21Å; Q382-L420 VanDerWaalsContact OE1-CD1 3.3Å
383	V	98.5	Very high	97.7	Very high	10 Å²	10	40.3 Å²	40.3	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-43.2	177.7	168.1	0	0	0	0	111.3	A326 A329 I339 M347 V379 F380 R385 D386 C387	A326-V383 HydrophobicContact CB-CB 4Å; A326-V383 HydrophobicContact CB-CG1 3.69Å; A329-V383 HydrophobicContact CB-CG2 3.91Å; I339-V383 HydrophobicContact CD1-CB 4.15Å; I339-V383 HydrophobicContact CD1-CG1 3.36Å; I339-V383 HydrophobicContact CD1-CG2 3.6Å; M347-V383 HydrophobicContact CE-CG1 3.75Å; V379-V383 HydrophobicContact CG1-CG2 4.16Å; V379-V383 WeakPolarHBondContact O-CB 3.29Å; V379-V383 VanDerWaalsContact O-CG2 3.27Å; V379-V383 WeakPolarHBondContact O-CG2 3.39Å; V379-V383 PolarHBondContact O-N 3.24Å; F380-V383 PolarHBondContact O-N 2.74Å; V383-R385 PolarHBondContact O-N 3.17Å; V383-D386 PolarHBondContact O-N 3.44Å; V383-C387 PolarHBondContact O-N 3.5Å; V383-C387 PolarHBondContact O-SG 3.4Å; V383-C387 VanDerWaalsContact O-SG 3.34Å
384	L	98.5	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-35.9	174.9	-68.7	-176	0	0	0	111.4	V322 A326 F380 F381 Q382 C387 G388 A389 L390 L393 F394	V322-L384 HydrophobicContact CG1-CD2 4.4Å; A326-L384 HydrophobicContact CB-CD2 4Å; A326-L384 HydrophobicContact CB-CG 4.21Å; F380-L384 HydrophobicContact CD1-CD1 3.93Å; F380-L384 HydrophobicContact CE1-CD1 3.41Å; F380-L384 VanDerWaalsContact CE1-CD1 3.41Å; F380-L384 HydrophobicContact CE1-CG 4.33Å; F380-L384 HydrophobicContact CE2-CD1 4.47Å; F380-L384 HydrophobicContact CZ-CD1 3.73Å; F380-L384 HydrophobicContact CZ-CG 4.45Å; F380-L384 WeakPolarHBondContact O-CG 3.43Å; F380-L384 PolarHBondContact O-N 3.1Å; F381-L384 PolarHBondContact O-N 2.79Å; Q382-L384 VanDerWaalsContact C-N 3.35Å; Q382-L384 PolarHBondContact O-N 3Å; L384-C387 PolarHBondContact O-SG 2.83Å; L384-G388 CarbonylContact O-C 3.09Å; L384-G388 PolarHBondContact O-N 3Å; L384-G388 VanDerWaalsContact O-N 3.15Å; L384-A389 HydrophobicContact CB-CB 4.3Å; L384-A389 HydrophobicContact CD2-CB 3.84Å; L384-A389 WeakPolarHBondContact O-CA 3.39Å; L384-A389 PolarHBondContact O-N 3.16Å; L384-L390 HydrophobicContact CB-CB 4.01Å; L384-L390 HydrophobicContact CB-CD1 4.33Å; L384-L390 PolarHBondContact O-N 2.7Å; L384-L393 HydrophobicContact CD1-CD1 4.48Å; L384-L393 HydrophobicContact CD2-CD1 4.49Å; L384-F394 HydrophobicContact CD1-CD2 4.17Å; L384-F394 HydrophobicContact CD1-CE2 3.87Å
385	R	98.1	Very high	97.8	Very high	84 Å²	84	38.2 Å²	38.2	32%	0.317	18%	0.181	S	C	.	.	H	α-helix	trans	-68.4	-44.9	174.5	-173.2	172.4	173.4	77.4	-1.1	111.3	F381 Q382 V383 C387 G388 L390 D398 F401	F381-R385 WeakPolarHBondContact O-CB 3.38Å; F381-R385 PolarHBondContact O-N 3.34Å; Q382-R385 CarbonylContact O-C 3.52Å; Q382-R385 WeakPolarHBondContact O-CA 3.49Å; Q382-R385 WeakPolarHBondContact O-CB 3.4Å; Q382-R385 PolarHBondContact O-N 3.4Å; V383-R385 PolarHBondContact O-N 3.17Å; R385-C387 PolarHBondContact O-N 2.91Å; R385-G388 PolarHBondContact O-N 3.14Å; R385-L390 HydrophobicContact CB-CB 4.13Å; R385-L390 HydrophobicContact CB-CD2 3.87Å; R385-L390 HydrophobicContact CG-CD2 4.25Å; R385-D398 IonicContact CZ-OD1 3.77Å; R385-D398 IonicContact NH1-OD1 3.35Å; R385-D398 PolarHBondContact NH1-OD1 3.45Å; R385-F401 VanDerWaalsContact NE-CD1 3.33Å; R385-F401 VanDerWaalsContact NH1-CB 3.35Å; R385-F401 VanDerWaalsContact NH1-CD2 3.26Å; R385-F401 VanDerWaalsContact NH1-CG 3.28Å
386	D	97.5	Very high	97.9	Very high	69 Å²	69	30.9 Å²	30.9	37%	0.369	16%	0.155	S	C	.	.	H	α-helix	trans	-62.2	-28.8	-178.3	-64.2	-20.1	0	0	0	112.9	L344 R348 Q382 V383	L344-D386 HydrophobicContact CD1-CB 4.37Å; R348-D386 PolarHBondContact NE-O 3.09Å; R348-D386 PolarHBondContact NH2-O 3.44Å; Q382-D386 PolarHBondContact NE2-OD1 2.97Å; Q382-D386 PolarHBondContact O-N 2.98Å; V383-D386 PolarHBondContact O-N 3.44Å
387	C	97.5	Very high	97.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-0.7	173.1	71.9	0	0	0	0	114.8	L344 M347 R348 T351 V383 L384 R385 A389	L344-C387 HydrophobicContact CD1-CB 4.11Å; M347-C387 HydrophobicContact CB-CB 3.92Å; M347-C387 HydrophobicContact CE-CB 4.4Å; R348-C387 HydrophobicContact CG-CB 4.06Å; T351-C387 PolarHBondContact OG1-O 2.87Å; V383-C387 PolarHBondContact O-N 3.5Å; V383-C387 PolarHBondContact O-SG 3.4Å; V383-C387 VanDerWaalsContact O-SG 3.34Å; L384-C387 PolarHBondContact O-SG 2.83Å; R385-C387 PolarHBondContact O-N 2.91Å; C387-A389 VanDerWaalsContact C-N 3.26Å; C387-A389 PolarHBondContact O-N 3.12Å; C387-A389 WeakPolarHBondContact SG-CB 3.4Å
388	G	97.5	Very high	97.9	Very high	23 Å²	23	31.1 Å²	31.1	24%	0.237	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-4.5	-179.1	0	0	0	0	0	115.3	L384 R385 L390 R391	L384-G388 CarbonylContact O-C 3.09Å; L384-G388 PolarHBondContact O-N 3Å; L384-G388 VanDerWaalsContact O-N 3.15Å; R385-G388 PolarHBondContact O-N 3.14Å; G388-L390 VanDerWaalsContact C-N 3.26Å; G388-L390 PolarHBondContact O-N 3.2Å; G388-R391 PolarHBondContact O-N 2.9Å
389	A	97.9	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-26.9	179.7	0	0	0	0	0	113.1	V322 T351 L356 L384 C387 R391 V392 L393	V322-A389 HydrophobicContact CG1-CB 4.24Å; T351-A389 HydrophobicContact CG2-CB 4.39Å; L356-A389 HydrophobicContact CD2-CB 3.36Å; L384-A389 HydrophobicContact CB-CB 4.3Å; L384-A389 HydrophobicContact CD2-CB 3.84Å; L384-A389 WeakPolarHBondContact O-CA 3.39Å; L384-A389 PolarHBondContact O-N 3.16Å; C387-A389 VanDerWaalsContact C-N 3.26Å; C387-A389 PolarHBondContact O-N 3.12Å; C387-A389 WeakPolarHBondContact SG-CB 3.4Å; A389-R391 VanDerWaalsContact C-N 3.32Å; A389-R391 PolarHBondContact O-N 3.03Å; A389-V392 PolarHBondContact O-N 3.17Å; A389-V392 VanDerWaalsContact O-N 3.12Å; A389-L393 HydrophobicContact CB-CD1 4.4Å; A389-L393 WeakPolarHBondContact O-CG 3.34Å; A389-L393 PolarHBondContact O-N 2.96Å
390	L	98	Very high	97.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-44.1	179.2	-172	72.7	0	0	0	111.2	F381 L384 R385 G388 V392 L393 F394 I397 D398 F401	F381-L390 HydrophobicContact CB-CD1 4.36Å; F381-L390 HydrophobicContact CD1-CD1 3.78Å; L384-L390 HydrophobicContact CB-CB 4.01Å; L384-L390 HydrophobicContact CB-CD1 4.33Å; L384-L390 PolarHBondContact O-N 2.7Å; R385-L390 HydrophobicContact CB-CB 4.13Å; R385-L390 HydrophobicContact CB-CD2 3.87Å; R385-L390 HydrophobicContact CG-CD2 4.25Å; G388-L390 VanDerWaalsContact C-N 3.26Å; G388-L390 PolarHBondContact O-N 3.2Å; L390-V392 PolarHBondContact O-N 3.47Å; L390-L393 PolarHBondContact O-N 2.69Å; L390-F394 HydrophobicContact CD1-CB 3.91Å; L390-F394 HydrophobicContact CD1-CD2 4.01Å; L390-F394 HydrophobicContact CD1-CG 4.32Å; L390-F394 CarbonylContact O-C 3.54Å; L390-F394 VanDerWaalsContact O-CA 3.3Å; L390-F394 WeakPolarHBondContact O-CA 3.38Å; L390-F394 PolarHBondContact O-N 2.96Å; L390-I397 HydrophobicContact CD1-CB 4.42Å; L390-I397 HydrophobicContact CD1-CG2 4.32Å; L390-I397 HydrophobicContact CD2-CG2 4.2Å; L390-D398 HydrophobicContact CD2-CB 4.15Å; L390-D398 HydrophobicContact CG-CB 4.13Å; L390-F401 HydrophobicContact CD2-CD2 4.37Å; L390-F401 HydrophobicContact CD2-CE2 3.69Å; L390-F401 HydrophobicContact CD2-CZ 4.44Å
391	R	97.1	Very high	97.7	Very high	156 Å²	156	31.4 Å²	31.4	59%	0.589	16%	0.163	S	C	*	.	H	α-helix	trans	-60.5	-32	177.3	-173.4	175.4	62.8	178.1	-1.2	113.2	G388 A389 P395 D398	G388-R391 PolarHBondContact O-N 2.9Å; A389-R391 VanDerWaalsContact C-N 3.32Å; A389-R391 PolarHBondContact O-N 3.03Å; R391-P395 WeakPolarHBondContact O-CB 3.43Å; R391-D398 HydrophobicContact CB-CB 4.27Å; R391-D398 WeakPolarHBondContact CB-OD2 3.47Å; R391-D398 WeakPolarHBondContact CG-OD2 3.48Å
392	V	96.5	Very high	97.5	Very high	47 Å²	47	33.9 Å²	33.9	29%	0.285	19%	0.188	S	C	.	.	H	α-helix	trans	-80.9	-47.2	-179.4	-177.8	0	0	0	0	110.7	T351 L356 E357 A389 L390	T351-V392 HydrophobicContact CG2-CG2 4.17Å; L356-V392 HydrophobicContact CB-CG1 4.23Å; E357-V392 HydrophobicContact CG-CG1 4.05Å; A389-V392 PolarHBondContact O-N 3.17Å; A389-V392 VanDerWaalsContact O-N 3.12Å; L390-V392 PolarHBondContact O-N 3.47Å
393	L	96.7	Very high	97.4	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-88.5	-33.8	-171.2	-61.1	174.2	0	0	0	113.1	L323 L356 V364 L384 A389 L390 R474	L323-L393 HydrophobicContact CD1-CD1 3.77Å; L323-L393 HydrophobicContact CD2-CD1 4.2Å; L323-L393 HydrophobicContact CG-CD1 4.04Å; L356-L393 HydrophobicContact CD2-CD1 4.18Å; L356-L393 HydrophobicContact CD2-CG 4.41Å; V364-L393 HydrophobicContact CG1-CD2 4.31Å; V364-L393 HydrophobicContact CG2-CD2 4.06Å; L384-L393 HydrophobicContact CD1-CD1 4.48Å; L384-L393 HydrophobicContact CD2-CD1 4.49Å; A389-L393 HydrophobicContact CB-CD1 4.4Å; A389-L393 WeakPolarHBondContact O-CG 3.34Å; A389-L393 PolarHBondContact O-N 2.96Å; L390-L393 PolarHBondContact O-N 2.69Å; L393-R474 PolarHBondContact O-NH1 3.38Å; L393-R474 PolarHBondContact O-NH2 3.06Å
394	F	97.7	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.			trans	-137.4	60	-176.3	-54.6	-87.1	0	0	0	111.1	V364 T368 F380 F381 L384 L390 E396 I397 D398 L471 L475	V364-F394 HydrophobicContact CG1-CZ 4.29Å; T368-F394 HydrophobicContact CG2-CE1 4.28Å; T368-F394 HydrophobicContact CG2-CZ 3.89Å; T368-F394 WeakPolarHBondContact OG1-CZ 3.39Å; F380-F394 HydrophobicContact CE1-CE2 4.45Å; F381-F394 HydrophobicContact CE1-CD1 4.45Å; F381-F394 HydrophobicContact CE1-CD2 4.26Å; F381-F394 HydrophobicContact CE1-CE1 4.33Å; F381-F394 HydrophobicContact CE1-CE2 4.17Å; F381-F394 HydrophobicContact CE1-CG 4.41Å; F381-F394 HydrophobicContact CE1-CZ 4.22Å; L384-F394 HydrophobicContact CD1-CD2 4.17Å; L384-F394 HydrophobicContact CD1-CE2 3.87Å; L390-F394 HydrophobicContact CD1-CB 3.91Å; L390-F394 HydrophobicContact CD1-CD2 4.01Å; L390-F394 HydrophobicContact CD1-CG 4.32Å; L390-F394 CarbonylContact O-C 3.54Å; L390-F394 VanDerWaalsContact O-CA 3.3Å; L390-F394 WeakPolarHBondContact O-CA 3.38Å; L390-F394 PolarHBondContact O-N 2.96Å; F394-E396 PolarHBondContact O-N 3.33Å; F394-E396 VanDerWaalsContact O-N 3.08Å; F394-I397 HydrophobicContact CB-CB 4.09Å; F394-I397 HydrophobicContact CB-CD1 3.79Å; F394-I397 HydrophobicContact CB-CG1 4.03Å; F394-I397 HydrophobicContact CD1-CD1 3.95Å; F394-I397 HydrophobicContact CG-CD1 4.02Å; F394-I397 PolarHBondContact O-N 2.98Å; F394-D398 PolarHBondContact O-N 3.19Å; F394-L471 HydrophobicContact CD1-CD1 4.39Å; F394-L475 HydrophobicContact CD1-CD1 3.84Å; F394-L475 HydrophobicContact CE1-CD1 3.28Å; F394-L475 HydrophobicContact CZ-CD1 3.98Å
395	P	97.3	Very high	96.9	Very high	54 Å²	54	32.4 Å²	32.4	35%	0.351	19%	0.185	S	C	.	.	H	α-helix	trans	-54.5	-30.4	-179	22	-33.9	0	0	0	113.2	R391 I397 D398 A399	R391-P395 WeakPolarHBondContact O-CB 3.43Å; P395-I397 VanDerWaalsContact C-N 3.34Å; P395-D398 PolarHBondContact O-N 3.14Å; P395-A399 VanDerWaalsContact O-CB 3.27Å; P395-A399 WeakPolarHBondContact O-CB 3.32Å; P395-A399 PolarHBondContact O-N 3.4Å
396	E	97.9	Very high	96.6	Very high	23 Å²	23	30.4 Å²	30.4	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-36	178.1	-51.6	83.9	169.6	0	0	112	F394 L444 L467 L471 R474	F394-E396 PolarHBondContact O-N 3.33Å; F394-E396 VanDerWaalsContact O-N 3.08Å; E396-L444 HydrophobicContact CB-CD1 4.26Å; E396-L444 HydrophobicContact CB-CD2 4.08Å; E396-L467 HydrophobicContact CG-CD2 4.38Å; E396-L471 HydrophobicContact CB-CD1 4.34Å; E396-L471 HydrophobicContact CG-CD1 4.45Å; E396-R474 VanDerWaalsContact CD-NH2 3.25Å; E396-R474 IonicContact OE1-CZ 3.95Å; E396-R474 IonicContact OE1-NE 3.67Å; E396-R474 IonicContact OE1-NH2 2.85Å; E396-R474 PolarHBondContact OE1-NH2 2.82Å; E396-R474 IonicContact OE2-NH2 3.53Å; E396-R474 PolarHBondContact OE2-NH2 3.29Å
397	I	98.1	Very high	96.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-77.8	-43.2	175.9	-57.8	175.7	0	0	0	109.8	F381 L390 F394 P395 A399 L400 F401 L440 L444	F381-I397 HydrophobicContact CD1-CD1 4.05Å; F381-I397 HydrophobicContact CE1-CD1 3.83Å; L390-I397 HydrophobicContact CD1-CB 4.42Å; L390-I397 HydrophobicContact CD1-CG2 4.32Å; L390-I397 HydrophobicContact CD2-CG2 4.2Å; F394-I397 HydrophobicContact CB-CB 4.09Å; F394-I397 HydrophobicContact CB-CD1 3.79Å; F394-I397 HydrophobicContact CB-CG1 4.03Å; F394-I397 HydrophobicContact CD1-CD1 3.95Å; F394-I397 HydrophobicContact CG-CD1 4.02Å; F394-I397 PolarHBondContact O-N 2.98Å; P395-I397 VanDerWaalsContact C-N 3.34Å; I397-A399 PolarHBondContact O-N 3.46Å; I397-L400 WeakPolarHBondContact O-CB 3.44Å; I397-L400 PolarHBondContact O-N 3.37Å; I397-L400 VanDerWaalsContact O-N 3.1Å; I397-F401 HydrophobicContact CG2-CE2 4.4Å; I397-L440 HydrophobicContact CD1-CD1 4.02Å; I397-L440 HydrophobicContact CD1-CD2 3.66Å; I397-L440 HydrophobicContact CD1-CG 3.86Å; I397-L444 HydrophobicContact CG1-CD2 3.92Å
398	D	98	Very high	95.7	Very high	35 Å²	35	37.4 Å²	37.4	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-35.8	179	-166.2	66.9	0	0	0	112.1	R385 L390 R391 F394 P395 L400 F401	R385-D398 IonicContact CZ-OD1 3.77Å; R385-D398 IonicContact NH1-OD1 3.35Å; R385-D398 PolarHBondContact NH1-OD1 3.45Å; L390-D398 HydrophobicContact CD2-CB 4.15Å; L390-D398 HydrophobicContact CG-CB 4.13Å; R391-D398 HydrophobicContact CB-CB 4.27Å; R391-D398 WeakPolarHBondContact CB-OD2 3.47Å; R391-D398 WeakPolarHBondContact CG-OD2 3.48Å; F394-D398 PolarHBondContact O-N 3.19Å; P395-D398 PolarHBondContact O-N 3.14Å; D398-L400 PolarHBondContact O-N 3.22Å; D398-F401 PolarHBondContact O-N 2.98Å
399	A	97.2	Very high	95.1	Very high	47 Å²	47	43 Å²	43	39%	0.388	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.5	177.9	0	0	0	0	0	114.7	P395 I397 V403	P395-A399 VanDerWaalsContact O-CB 3.27Å; P395-A399 WeakPolarHBondContact O-CB 3.32Å; P395-A399 PolarHBondContact O-N 3.4Å; I397-A399 PolarHBondContact O-N 3.46Å; A399-V403 VanDerWaalsContact O-CG2 3.23Å; A399-V403 WeakPolarHBondContact O-CG2 3.44Å
400	L	97.5	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-25.3	176.2	-62.2	-177.5	0	0	0	112.9	I397 D398 V403 T415 G416 T419 D443 L444 K446	I397-L400 WeakPolarHBondContact O-CB 3.44Å; I397-L400 PolarHBondContact O-N 3.37Å; I397-L400 VanDerWaalsContact O-N 3.1Å; D398-L400 PolarHBondContact O-N 3.22Å; L400-V403 WeakPolarHBondContact O-CB 3.34Å; L400-V403 PolarHBondContact O-N 3.45Å; L400-T415 HydrophobicContact CB-CG2 4.2Å; L400-T415 HydrophobicContact CD1-CG2 4.43Å; L400-T415 HydrophobicContact CD2-CG2 4.05Å; L400-T415 HydrophobicContact CG-CG2 4.48Å; L400-G416 PolarHBondContact O-N 3.02Å; L400-G416 VanDerWaalsContact O-N 3.14Å; L400-T419 HydrophobicContact CD1-CG2 4.26Å; L400-T419 VanDerWaalsContact CD1-OG1 3.32Å; L400-T419 WeakPolarHBondContact CD1-OG1 3.36Å; L400-D443 WeakPolarHBondContact CD2-O 3.48Å; L400-L444 HydrophobicContact CD1-CD2 4.09Å; L400-K446 HydrophobicContact CD2-CB 4.23Å
401	F	97	Very high	94.1	Very high	27 Å²	27	46.7 Å²	46.7	12%	0.118	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	133.1	-179.4	-67.1	-94.4	0	0	0	110.7	R385 L390 I397 D398 V403 L420	R385-F401 VanDerWaalsContact NE-CD1 3.33Å; R385-F401 VanDerWaalsContact NH1-CB 3.35Å; R385-F401 VanDerWaalsContact NH1-CD2 3.26Å; R385-F401 VanDerWaalsContact NH1-CG 3.28Å; L390-F401 HydrophobicContact CD2-CD2 4.37Å; L390-F401 HydrophobicContact CD2-CE2 3.69Å; L390-F401 HydrophobicContact CD2-CZ 4.44Å; I397-F401 HydrophobicContact CG2-CE2 4.4Å; D398-F401 PolarHBondContact O-N 2.98Å; F401-V403 VanDerWaalsContact C-N 3.3Å; F401-L420 HydrophobicContact CE1-CD1 4.19Å; F401-L420 HydrophobicContact CZ-CD1 3.87Å; F401-L420 HydrophobicContact CZ-CG 4.08Å
402	G	95.4	Very high	93.8	Very high	52 Å²	52	40.4 Å²	40.4	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-4.7	-171.9	0	0	0	0	0	114.3	P404 D414	G402-P404 WeakPolarHBondContact O-CD 3.45Å; G402-D414 WeakPolarHBondContact CA-OD2 3.39Å; G402-D414 PolarHBondContact N-OD2 3.02Å
403	V	95.8	Very high	93.7	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.048	24%	0.242	C	C	.	.			trans	-85.6	114.2	175.6	-179.9	0	0	0	0	109.2	A399 L400 F401 T415 W454 H457	A399-V403 VanDerWaalsContact O-CG2 3.23Å; A399-V403 WeakPolarHBondContact O-CG2 3.44Å; L400-V403 WeakPolarHBondContact O-CB 3.34Å; L400-V403 PolarHBondContact O-N 3.45Å; F401-V403 VanDerWaalsContact C-N 3.3Å; V403-T415 WeakPolarHBondContact O-CB 3.32Å; V403-T415 PolarHBondContact O-N 3.46Å; V403-T415 PolarHBondContact O-OG1 2.77Å; V403-W454 HydrophobicContact CG1-CZ2 4.2Å; V403-W454 HydrophobicContact CG2-CZ2 4.08Å; V403-H457 WeakPolarHBondContact CG1-CE1 3.47Å
404	P	95.9	Very high	93.7	Very high	38 Å²	38	43.3 Å²	43.3	25%	0.247	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-80.6	126.2	-174.2	31.9	-33.6	0	0	0	112	G402 I413 W454 P455 H457	G402-P404 WeakPolarHBondContact O-CD 3.45Å; P404-I413 CarbonylContact C-O 3.48Å; P404-I413 WeakPolarHBondContact CA-O 3.37Å; P404-I413 HydrophobicContact CB-CG2 3.92Å; P404-W454 HydrophobicContact CG-CB 4.09Å; P404-W454 HydrophobicContact CG-CD2 3.94Å; P404-W454 HydrophobicContact CG-CE3 3.56Å; P404-W454 HydrophobicContact CG-CG 4.21Å; P404-W454 HydrophobicContact CG-CZ3 4.27Å; P404-P455 WeakPolarHBondContact O-CA 3.34Å; P404-P455 WeakPolarHBondContact O-CB 3.47Å; P404-H457 PolarHBondContact O-NE2 3.44Å
405	A	91	Very high	93.7	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.033	25%	0.248	C	C	.	.			trans	-93.6	161.4	170.6	0	0	0	0	0	111.5	A407 H410 I413	A405-A407 PolarHBondContact O-N 2.92Å; A405-A407 VanDerWaalsContact O-N 3.12Å; A405-H410 HydrophobicContact CB-CB 3.66Å; A405-I413 PolarHBondContact N-O 2.95Å
406	P	90.3	Very high	93.7	Very high	42 Å²	42	40.7 Å²	40.7	27%	0.273	23%	0.231	S	C	.	.			trans	-66.3	113.5	-177.4	-20.9	33.4	0	0	0	112.1	K408 W409 H410 P455	P406-K408 PolarHBondContact O-N 3.45Å; P406-W409 PolarHBondContact O-N 3.43Å; P406-H410 PolarHBondContact O-N 2.91Å; P406-P455 HydrophobicContact CB-CG 4.45Å; P406-P455 WeakPolarHBondContact CD-O 3.14Å; P406-P455 HydrophobicContact CG-CB 4.17Å; P406-P455 HydrophobicContact CG-CG 4.2Å; P406-P455 WeakPolarHBondContact CG-O 3.26Å
407	A	89.5	Confident	93.6	Very high	61 Å²	61	43.4 Å²	43.4	50%	0.504	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-28.2	-176.7	0	0	0	0	0	115.2	A405 W409 H410 I413	A405-A407 PolarHBondContact O-N 2.92Å; A405-A407 VanDerWaalsContact O-N 3.12Å; A407-W409 PolarHBondContact O-N 3.03Å; A407-H410 WeakPolarHBondContact CA-O 3.47Å; A407-I413 HydrophobicContact CB-CG1 4.24Å
408	K	87.9	Confident	93.6	Very high	156 Å²	156	43.4 Å²	43.4	68%	0.678	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-39	175.2	178.4	179	176.9	-178.5	0	112.4	P406	P406-K408 PolarHBondContact O-N 3.45Å
409	W	83.8	Confident	93.6	Very high	140 Å²	140	41.7 Å²	41.7	53%	0.53	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-28.3	-175.4	-55.2	118.8	0	0	0	111.9	P406 A407 R536	P406-W409 PolarHBondContact O-N 3.43Å; A407-W409 PolarHBondContact O-N 3.03Å; W409-R536 WeakPolarHBondContact O-CD 3.49Å; W409-R536 PolarHBondContact O-NH1 3.16Å
410	H	87.5	Confident	93.6	Very high	22 Å²	22	40.1 Å²	40.1	10%	0.102	22%	0.221	C	C	.	.			trans	-124.9	81.7	-178.2	-66.3	-80.4	0	0	0	109.6	A405 P406 A407 E412 I413 H418	A405-H410 HydrophobicContact CB-CB 3.66Å; P406-H410 PolarHBondContact O-N 2.91Å; A407-H410 WeakPolarHBondContact CA-O 3.47Å; H410-E412 VanDerWaalsContact CA-OE1 3.27Å; H410-E412 WeakPolarHBondContact CA-OE1 3.32Å; H410-E412 WeakPolarHBondContact CB-OE1 3.24Å; H410-E412 IonicContact CG-OE1 3.46Å; H410-E412 IonicContact ND1-OE1 3.76Å; H410-E412 PolarHBondContact ND1-OE1 3.33Å; H410-E412 PolarHBondContact O-N 3.38Å; H410-I413 PolarHBondContact O-N 2.9Å; H410-H418 AromaticContact CE1-CD2 3.91Å; H410-H418 AromaticContact CE1-CE1 3.53Å; H410-H418 AromaticContact CE1-ND1 3.94Å; H410-H418 AromaticContact CE1-NE2 3.49Å; H410-H418 PolarHBondContact CE1-NE2 3.27Å; H410-H418 AromaticContact ND1-CD2 3.91Å; H410-H418 AromaticContact ND1-CE1 3.52Å; H410-H418 AromaticContact ND1-CG 3.7Å; H410-H418 AromaticContact ND1-ND1 3.46Å; H410-H418 PolarHBondContact ND1-ND1 2.91Å; H410-H418 AromaticContact ND1-NE2 3.79Å
411	P	88.8	Confident	93.6	Very high	56 Å²	56	42.4 Å²	42.4	36%	0.364	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.9	-174.3	-21.3	34.1	0	0	0	113.8	I413 F539	P411-I413 PolarHBondContact O-N 3.24Å; P411-F539 HydrophobicContact CG-CD2 4.45Å; P411-F539 HydrophobicContact CG-CE2 3.97Å
412	E	90.6	Very high	93.6	Very high	25 Å²	25	41.1 Å²	41.1	12%	0.117	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20	170.6	59.1	-73.7	162	0	0	113.7	H410 D414 I417 H418 M421 T537	H410-E412 VanDerWaalsContact CA-OE1 3.27Å; H410-E412 WeakPolarHBondContact CA-OE1 3.32Å; H410-E412 WeakPolarHBondContact CB-OE1 3.24Å; H410-E412 IonicContact CG-OE1 3.46Å; H410-E412 IonicContact ND1-OE1 3.76Å; H410-E412 PolarHBondContact ND1-OE1 3.33Å; H410-E412 PolarHBondContact O-N 3.38Å; E412-D414 PolarHBondContact O-N 2.99Å; E412-I417 HydrophobicContact CB-CG2 4.13Å; E412-I417 HydrophobicContact CG-CG2 4.48Å; E412-H418 HydrophobicContact CG-CB 3.95Å; E412-H418 IonicContact OE1-CG 3.15Å; E412-H418 IonicContact OE1-ND1 3.06Å; E412-H418 PolarHBondContact OE1-ND1 3.39Å; E412-M421 HydrophobicContact CB-SD 4.35Å; E412-M421 HydrophobicContact CG-SD 4.42Å; E412-T537 PolarHBondContact OE2-N 3.45Å; E412-T537 PolarHBondContact OE2-OG1 3.24Å
413	I	94.5	Very high	93.8	Very high	85 Å²	85	38.6 Å²	38.6	44%	0.436	20%	0.201	S	C	.	.			trans	63.4	-46.2	-178.2	-57.7	168.3	0	0	0	113.4	P404 A405 A407 H410 P411 T415	P404-I413 CarbonylContact C-O 3.48Å; P404-I413 WeakPolarHBondContact CA-O 3.37Å; P404-I413 HydrophobicContact CB-CG2 3.92Å; A405-I413 PolarHBondContact N-O 2.95Å; A407-I413 HydrophobicContact CB-CG1 4.24Å; H410-I413 PolarHBondContact O-N 2.9Å; P411-I413 PolarHBondContact O-N 3.24Å; I413-T415 PolarHBondContact O-N 3.26Å
414	D	96.6	Very high	93.9	Very high	33 Å²	33	39.5 Å²	39.5	18%	0.176	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-77.9	120.5	-176.4	-171.7	-67.2	0	0	0	111.8	G402 E412 G416 I417 H418	G402-D414 WeakPolarHBondContact CA-OD2 3.39Å; G402-D414 PolarHBondContact N-OD2 3.02Å; E412-D414 PolarHBondContact O-N 2.99Å; D414-G416 VanDerWaalsContact C-N 3.28Å; D414-G416 PolarHBondContact O-N 3.49Å; D414-G416 VanDerWaalsContact OD1-CA 3.26Å; D414-G416 WeakPolarHBondContact OD1-CA 3.45Å; D414-G416 PolarHBondContact OD1-N 3.4Å; D414-I417 HydrophobicContact CB-CB 4.04Å; D414-I417 HydrophobicContact CB-CD1 3.78Å; D414-I417 HydrophobicContact CB-CG1 3.8Å; D414-I417 PolarHBondContact O-N 3.48Å; D414-I417 PolarHBondContact OD1-N 2.97Å; D414-H418 PolarHBondContact O-N 3.21Å
415	T	96.6	Very high	94	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-31.3	-178.8	-55.4	0	0	0	0	112.5	L400 V403 I413 T419 D443 K446	L400-T415 HydrophobicContact CB-CG2 4.2Å; L400-T415 HydrophobicContact CD1-CG2 4.43Å; L400-T415 HydrophobicContact CD2-CG2 4.05Å; L400-T415 HydrophobicContact CG-CG2 4.48Å; V403-T415 WeakPolarHBondContact O-CB 3.32Å; V403-T415 PolarHBondContact O-N 3.46Å; V403-T415 PolarHBondContact O-OG1 2.77Å; I413-T415 PolarHBondContact O-N 3.26Å; T415-T419 WeakPolarHBondContact O-CB 3.43Å; T415-T419 PolarHBondContact O-N 3.38Å; T415-T419 PolarHBondContact O-OG1 3.11Å; T415-D443 HydrophobicContact CG2-CB 4.24Å; T415-K446 HydrophobicContact CG2-CB 4.1Å; T415-K446 HydrophobicContact CG2-CD 3.68Å; T415-K446 HydrophobicContact CG2-CG 4.47Å
416	G	97.2	Very high	94.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.4	-42.3	174.6	0	0	0	0	0	112	L400 D414 T419 L420	L400-G416 PolarHBondContact O-N 3.02Å; L400-G416 VanDerWaalsContact O-N 3.14Å; D414-G416 VanDerWaalsContact C-N 3.28Å; D414-G416 PolarHBondContact O-N 3.49Å; D414-G416 VanDerWaalsContact OD1-CA 3.26Å; D414-G416 WeakPolarHBondContact OD1-CA 3.45Å; D414-G416 PolarHBondContact OD1-N 3.4Å; G416-T419 WeakPolarHBondContact O-CB 3.37Å; G416-T419 PolarHBondContact O-N 2.68Å; G416-L420 PolarHBondContact O-N 2.75Å; G416-L420 VanDerWaalsContact O-N 3.13Å
417	I	97	Very high	94.7	Very high	79 Å²	79	36.8 Å²	36.8	41%	0.405	19%	0.19	S	C	.	.	H	α-helix	trans	-61.7	-47.8	173.1	-62.7	-179.9	0	0	0	110.4	E412 D414 T419 L420 M421	E412-I417 HydrophobicContact CB-CG2 4.13Å; E412-I417 HydrophobicContact CG-CG2 4.48Å; D414-I417 HydrophobicContact CB-CB 4.04Å; D414-I417 HydrophobicContact CB-CD1 3.78Å; D414-I417 HydrophobicContact CB-CG1 3.8Å; D414-I417 PolarHBondContact O-N 3.48Å; D414-I417 PolarHBondContact OD1-N 2.97Å; I417-T419 VanDerWaalsContact C-N 3.3Å; I417-T419 PolarHBondContact O-N 2.89Å; I417-L420 PolarHBondContact O-N 3.39Å; I417-L420 VanDerWaalsContact O-N 3.11Å; I417-M421 HydrophobicContact CG2-CG 4.28Å; I417-M421 HydrophobicContact CG2-SD 3.89Å; I417-M421 WeakPolarHBondContact O-CG 3.48Å; I417-M421 PolarHBondContact O-N 3.14Å
418	H	97.2	Very high	95	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-53.5	-46.5	174.2	176.6	62.4	0	0	0	111.5	H410 E412 D414 L420 M421 T422 H442 D443 D532 G535 R536	H410-H418 AromaticContact CE1-CD2 3.91Å; H410-H418 AromaticContact CE1-CE1 3.53Å; H410-H418 AromaticContact CE1-ND1 3.94Å; H410-H418 AromaticContact CE1-NE2 3.49Å; H410-H418 PolarHBondContact CE1-NE2 3.27Å; H410-H418 AromaticContact ND1-CD2 3.91Å; H410-H418 AromaticContact ND1-CE1 3.52Å; H410-H418 AromaticContact ND1-CG 3.7Å; H410-H418 AromaticContact ND1-ND1 3.46Å; H410-H418 PolarHBondContact ND1-ND1 2.91Å; H410-H418 AromaticContact ND1-NE2 3.79Å; E412-H418 HydrophobicContact CG-CB 3.95Å; E412-H418 IonicContact OE1-CG 3.15Å; E412-H418 IonicContact OE1-ND1 3.06Å; E412-H418 PolarHBondContact OE1-ND1 3.39Å; D414-H418 PolarHBondContact O-N 3.21Å; H418-L420 VanDerWaalsContact C-N 3.3Å; H418-L420 PolarHBondContact O-N 3.26Å; H418-M421 PolarHBondContact O-N 3.02Å; H418-M421 VanDerWaalsContact O-N 3.13Å; H418-T422 WeakPolarHBondContact CE1-CG2 3.42Å; H418-T422 WeakPolarHBondContact NE2-CG2 3.23Å; H418-T422 WeakPolarHBondContact O-CB 3.32Å; H418-T422 VanDerWaalsContact O-CG2 3.26Å; H418-T422 WeakPolarHBondContact O-CG2 3.47Å; H418-T422 PolarHBondContact O-N 2.94Å; H418-T422 PolarHBondContact O-OG1 3.41Å; H418-H442 AromaticContact CD2-CE1 3.99Å; H418-H442 AromaticContact CD2-NE2 3.77Å; H418-H442 AromaticContact NE2-CE1 3.83Å; H418-H442 AromaticContact NE2-NE2 3.35Å; H418-H442 PolarHBondContact NE2-NE2 3Å; H418-D443 IonicContact CD2-OD2 2.78Å; H418-D443 PolarHBondContact CD2-OD2 3.11Å; H418-D443 IonicContact NE2-OD2 2.7Å; H418-D532 IonicContact CE1-OD1 3.8Å; H418-D532 PolarHBondContact CE1-OD1 2.94Å; H418-D532 IonicContact NE2-OD1 3.75Å; H418-D532 PolarHBondContact NE2-OD1 2.81Å; H418-G535 PolarHBondContact ND1-O 2.96Å; H418-R536 VanDerWaalsContact CE1-CG 3.43Å; H418-R536 WeakPolarHBondContact CE1-CG 3.23Å; H418-R536 WeakPolarHBondContact ND1-CG 3.39Å
419	T	97.6	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-39	178	-60.4	0	0	0	0	112.6	L400 T415 G416 I417 T422 L423 L440	L400-T419 HydrophobicContact CD1-CG2 4.26Å; L400-T419 VanDerWaalsContact CD1-OG1 3.32Å; L400-T419 WeakPolarHBondContact CD1-OG1 3.36Å; T415-T419 WeakPolarHBondContact O-CB 3.43Å; T415-T419 PolarHBondContact O-N 3.38Å; T415-T419 PolarHBondContact O-OG1 3.11Å; G416-T419 WeakPolarHBondContact O-CB 3.37Å; G416-T419 PolarHBondContact O-N 2.68Å; I417-T419 VanDerWaalsContact C-N 3.3Å; I417-T419 PolarHBondContact O-N 2.89Å; T419-T422 WeakPolarHBondContact CA-OG1 3.4Å; T419-T422 PolarHBondContact O-OG1 3.39Å; T419-L423 WeakPolarHBondContact O-CB 3.47Å; T419-L423 PolarHBondContact O-N 3.37Å; T419-L423 VanDerWaalsContact O-N 3.12Å; T419-L440 HydrophobicContact CG2-CD1 3.77Å; T419-L440 WeakPolarHBondContact CG2-O 3.3Å
420	L	98.1	Very high	96.1	Very high	13 Å²	13	28.6 Å²	28.6	7%	0.068	15%	0.153	C	C	.	.	H	α-helix	trans	-72.8	-37.7	175.8	-65.1	-170	0	0	0	112.7	Q378 F381 Q382 F401 G416 I417 H418 L423 S424	Q378-L420 HydrophobicContact CB-CB 4.15Å; Q378-L420 HydrophobicContact CB-CD2 4.44Å; Q378-L420 VanDerWaalsContact CB-O 3.29Å; Q378-L420 WeakPolarHBondContact CB-O 3.31Å; F381-L420 HydrophobicContact CB-CD2 3.68Å; Q382-L420 HydrophobicContact CB-CD1 4.21Å; Q382-L420 VanDerWaalsContact OE1-CD1 3.3Å; F401-L420 HydrophobicContact CE1-CD1 4.19Å; F401-L420 HydrophobicContact CZ-CD1 3.87Å; F401-L420 HydrophobicContact CZ-CG 4.08Å; G416-L420 PolarHBondContact O-N 2.75Å; G416-L420 VanDerWaalsContact O-N 3.13Å; I417-L420 PolarHBondContact O-N 3.39Å; I417-L420 VanDerWaalsContact O-N 3.11Å; H418-L420 VanDerWaalsContact C-N 3.3Å; H418-L420 PolarHBondContact O-N 3.26Å; L420-L423 PolarHBondContact O-N 3.32Å; L420-S424 PolarHBondContact O-N 3.34Å
421	M	97.8	Very high	96.5	Very high	48 Å²	48	32.5 Å²	32.5	24%	0.236	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-44.4	176.9	-70.5	179.8	66.3	0	0	111.7	E412 I417 H418 S424 M425 G535	E412-M421 HydrophobicContact CB-SD 4.35Å; E412-M421 HydrophobicContact CG-SD 4.42Å; I417-M421 HydrophobicContact CG2-CG 4.28Å; I417-M421 HydrophobicContact CG2-SD 3.89Å; I417-M421 WeakPolarHBondContact O-CG 3.48Å; I417-M421 PolarHBondContact O-N 3.14Å; H418-M421 PolarHBondContact O-N 3.02Å; H418-M421 VanDerWaalsContact O-N 3.13Å; M421-S424 WeakPolarHBondContact O-CB 3.19Å; M421-S424 PolarHBondContact O-N 3.4Å; M421-M425 PolarHBondContact O-N 3.19Å; M421-G535 WeakPolarHBondContact CB-O 3.09Å
422	T	97.8	Very high	96.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-41.4	175.2	55.5	0	0	0	0	112.1	H418 T419 S424 M425 A426	H418-T422 WeakPolarHBondContact CE1-CG2 3.42Å; H418-T422 WeakPolarHBondContact NE2-CG2 3.23Å; H418-T422 WeakPolarHBondContact O-CB 3.32Å; H418-T422 VanDerWaalsContact O-CG2 3.26Å; H418-T422 WeakPolarHBondContact O-CG2 3.47Å; H418-T422 PolarHBondContact O-N 2.94Å; H418-T422 PolarHBondContact O-OG1 3.41Å; T419-T422 WeakPolarHBondContact CA-OG1 3.4Å; T419-T422 PolarHBondContact O-OG1 3.39Å; T422-S424 VanDerWaalsContact C-N 3.34Å; T422-S424 PolarHBondContact O-N 3.41Å; T422-M425 PolarHBondContact O-N 2.72Å; T422-A426 WeakPolarHBondContact O-CB 3.5Å; T422-A426 PolarHBondContact O-N 3.25Å
423	L	98.4	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-41.1	172.6	175.4	59	0	0	0	112.1	L372 P377 Q378 F381 T419 L420 M425 A426 A427 R436 L440	L372-L423 HydrophobicContact CD2-CD1 4.05Å; P377-L423 HydrophobicContact CB-CD1 4.37Å; P377-L423 HydrophobicContact CB-CD2 4.25Å; P377-L423 HydrophobicContact CB-CG 4.32Å; P377-L423 HydrophobicContact CG-CD1 3.99Å; P377-L423 HydrophobicContact CG-CD2 4.43Å; P377-L423 HydrophobicContact CG-CG 3.97Å; Q378-L423 HydrophobicContact CB-CD2 4.46Å; F381-L423 HydrophobicContact CD2-CD2 3.62Å; F381-L423 HydrophobicContact CE2-CD2 3.7Å; T419-L423 WeakPolarHBondContact O-CB 3.47Å; T419-L423 PolarHBondContact O-N 3.37Å; T419-L423 VanDerWaalsContact O-N 3.12Å; L420-L423 PolarHBondContact O-N 3.32Å; L423-M425 VanDerWaalsContact C-N 3.3Å; L423-M425 PolarHBondContact O-N 3.34Å; L423-A426 PolarHBondContact O-N 3.05Å; L423-A427 PolarHBondContact O-N 3.5Å; L423-R436 HydrophobicContact CD1-CB 4Å; L423-R436 WeakPolarHBondContact CD1-O 3.46Å; L423-L440 HydrophobicContact CD1-CB 4.48Å; L423-L440 HydrophobicContact CD2-CB 4.47Å; L423-L440 HydrophobicContact CD2-CD1 3.85Å
424	S	97.9	Very high	97.4	Very high	27 Å²	27	31.7 Å²	31.7	19%	0.189	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-40.5	174.1	-170.9	0	0	0	0	111.8	Q378 L420 M421 T422 A427 M428	Q378-S424 VanDerWaalsContact CD-CB 3.44Å; Q378-S424 PolarHBondContact NE2-OG 3.33Å; L420-S424 PolarHBondContact O-N 3.34Å; M421-S424 WeakPolarHBondContact O-CB 3.19Å; M421-S424 PolarHBondContact O-N 3.4Å; T422-S424 VanDerWaalsContact C-N 3.34Å; T422-S424 PolarHBondContact O-N 3.41Å; S424-A427 PolarHBondContact O-N 3.49Å; S424-M428 PolarHBondContact O-N 2.98Å
425	M	97.8	Very high	97.5	Very high	15 Å²	15	30.2 Å²	30.2	7%	0.074	16%	0.164	C	C	.	.	H	α-helix	trans	-68.4	-44.4	177.2	-176.8	58	59.7	0	0	111.7	M421 T422 L423 A427 M428 L429 A531 R534 E540	M421-M425 PolarHBondContact O-N 3.19Å; T422-M425 PolarHBondContact O-N 2.72Å; L423-M425 VanDerWaalsContact C-N 3.3Å; L423-M425 PolarHBondContact O-N 3.34Å; M425-A427 PolarHBondContact O-N 3.46Å; M425-M428 HydrophobicContact CB-CE 4.48Å; M425-M428 HydrophobicContact CE-CE 3.4Å; M425-M428 WeakPolarHBondContact O-CA 3.13Å; M425-M428 WeakPolarHBondContact O-CB 3.37Å; M425-M428 PolarHBondContact O-N 3.06Å; M425-M428 HydrophobicContact SD-CE 3.63Å; M425-L429 HydrophobicContact CG-CD1 4.01Å; M425-L429 HydrophobicContact CG-CG 4.38Å; M425-L429 WeakPolarHBondContact O-CG 3.26Å; M425-L429 PolarHBondContact O-N 3.29Å; M425-L429 HydrophobicContact SD-CD1 4.41Å; M425-L429 HydrophobicContact SD-CG 4.29Å; M425-A531 HydrophobicContact CB-CB 4.36Å; M425-A531 HydrophobicContact CG-CB 4.22Å; M425-R534 HydrophobicContact CE-CB 3.81Å; M425-R534 HydrophobicContact CG-CB 3.73Å; M425-R534 HydrophobicContact SD-CB 3.86Å; M425-E540 HydrophobicContact CE-CB 4.2Å
426	A	98.2	Very high	97.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.3	-37.4	175	0	0	0	0	0	111.8	T422 L423 M428 L429 S430 R436 T439 A531	T422-A426 WeakPolarHBondContact O-CB 3.5Å; T422-A426 PolarHBondContact O-N 3.25Å; L423-A426 PolarHBondContact O-N 3.05Å; A426-M428 VanDerWaalsContact C-N 3.28Å; A426-M428 PolarHBondContact O-N 2.8Å; A426-L429 PolarHBondContact O-N 3.28Å; A426-S430 PolarHBondContact O-N 3.29Å; A426-R436 HydrophobicContact CB-CG 4.49Å; A426-T439 HydrophobicContact CB-CG2 3.95Å; A426-A531 HydrophobicContact CB-CB 3.83Å
427	A	97.8	Very high	97.7	Very high	12 Å²	12	30.9 Å²	30.9	10%	0.099	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-29.5	175.7	0	0	0	0	0	113.6	P377 L423 S424 M425 R436	P377-A427 HydrophobicContact CG-CB 3.65Å; L423-A427 PolarHBondContact O-N 3.5Å; S424-A427 PolarHBondContact O-N 3.49Å; M425-A427 PolarHBondContact O-N 3.46Å; A427-R436 PolarHBondContact O-NH2 2.77Å
428	M	96.7	Very high	97.7	Very high	131 Å²	131	27.1 Å²	27.1	65%	0.645	15%	0.147	S	C	*	.	H	α-helix	trans	-78.1	-34.2	173	-66.1	-172.4	-70.1	0	0	112.3	S424 M425 A426	S424-M428 PolarHBondContact O-N 2.98Å; M425-M428 HydrophobicContact CB-CE 4.48Å; M425-M428 HydrophobicContact CE-CE 3.4Å; M425-M428 WeakPolarHBondContact O-CA 3.13Å; M425-M428 WeakPolarHBondContact O-CB 3.37Å; M425-M428 PolarHBondContact O-N 3.06Å; M425-M428 HydrophobicContact SD-CE 3.63Å; A426-M428 VanDerWaalsContact C-N 3.28Å; A426-M428 PolarHBondContact O-N 2.8Å
429	L	96.7	Very high	97.8	Very high	49 Å²	49	27.1 Å²	27.1	26%	0.257	15%	0.147	S	C	.	.	H	α-helix	trans	-80.5	-32.4	-178	-65.8	175.2	0	0	0	113.5	M425 A426 L527 E530 A531	M425-L429 HydrophobicContact CG-CD1 4.01Å; M425-L429 HydrophobicContact CG-CG 4.38Å; M425-L429 WeakPolarHBondContact O-CG 3.26Å; M425-L429 PolarHBondContact O-N 3.29Å; M425-L429 HydrophobicContact SD-CD1 4.41Å; M425-L429 HydrophobicContact SD-CG 4.29Å; A426-L429 PolarHBondContact O-N 3.28Å; L429-L527 HydrophobicContact CB-CD2 4.31Å; L429-E530 HydrophobicContact CD1-CB 4.15Å; L429-E530 HydrophobicContact CD1-CG 3.94Å; L429-A531 HydrophobicContact CD1-CB 3.99Å
430	S	97.1	Very high	97.8	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.035	15%	0.147	C	C	.	.			trans	-146.6	141.4	-175.6	-178.7	0	0	0	0	113	A426 Q432 R436	A426-S430 PolarHBondContact O-N 3.29Å; S430-Q432 VanDerWaalsContact C-N 3.31Å; S430-Q432 WeakPolarHBondContact OG-CB 3.46Å; S430-Q432 PolarHBondContact OG-N 3.3Å; S430-Q432 VanDerWaalsContact OG-N 3.11Å; S430-R436 VanDerWaalsContact O-CZ 3.25Å; S430-R436 PolarHBondContact O-NE 3.27Å; S430-R436 PolarHBondContact O-NH2 3.22Å
431	P	96.5	Very high	97.8	Very high	104 Å²	104	26.5 Å²	26.5	68%	0.675	14%	0.144	S	C	*	.			trans	-80.4	-10	169.4	34.6	-35.4	0	0	0	113.4
432	Q	97.6	Very high	97.8	Very high	91 Å²	91	24.3 Å²	24.3	43%	0.425	13%	0.134	S	C	.	.			trans	-76.9	130.4	-170.1	-54.1	178.2	9.6	0	0	111.5	S430 D434 V435 R436	S430-Q432 VanDerWaalsContact C-N 3.31Å; S430-Q432 WeakPolarHBondContact OG-CB 3.46Å; S430-Q432 PolarHBondContact OG-N 3.3Å; S430-Q432 VanDerWaalsContact OG-N 3.11Å; Q432-D434 VanDerWaalsContact C-N 3.32Å; Q432-D434 WeakPolarHBondContact CB-OD1 3.37Å; Q432-D434 PolarHBondContact O-N 3.25Å; Q432-D434 PolarHBondContact OE1-OD1 3.27Å; Q432-V435 HydrophobicContact CB-CB 4.47Å; Q432-V435 HydrophobicContact CB-CG2 4.17Å; Q432-V435 PolarHBondContact O-N 2.98Å; Q432-R436 WeakPolarHBondContact O-CG 3.46Å; Q432-R436 PolarHBondContact O-N 3.2Å
433	V	97.9	Very high	97.7	Very high	25 Å²	25	24.3 Å²	24.3	15%	0.152	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-37.4	-177.7	174.1	0	0	0	0	111.7	E369 L372 T373 R436 F437 I481	E369-V433 HydrophobicContact CG-CG1 4.31Å; L372-V433 HydrophobicContact CB-CG1 4.19Å; L372-V433 HydrophobicContact CD1-CG1 4.05Å; T373-V433 HydrophobicContact CG2-CG2 3.56Å; V433-R436 PolarHBondContact O-N 3.23Å; V433-F437 VanDerWaalsContact O-CB 3.29Å; V433-F437 WeakPolarHBondContact O-CB 3.15Å; V433-F437 PolarHBondContact O-N 3.13Å; V433-I481 HydrophobicContact CG1-CD1 4.08Å
434	D	97.8	Very high	97.6	Very high	33 Å²	33	24.3 Å²	24.3	18%	0.176	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-45.4	179.1	57.6	-3.8	0	0	0	111.8	Q432 A438 I481 L484 Q524	Q432-D434 VanDerWaalsContact C-N 3.32Å; Q432-D434 WeakPolarHBondContact CB-OD1 3.37Å; Q432-D434 PolarHBondContact O-N 3.25Å; Q432-D434 PolarHBondContact OE1-OD1 3.27Å; D434-A438 WeakPolarHBondContact O-CB 3.47Å; D434-A438 PolarHBondContact O-N 2.91Å; D434-I481 HydrophobicContact CB-CB 4.49Å; D434-I481 HydrophobicContact CB-CG1 3.93Å; D434-L484 HydrophobicContact CB-CD2 3.74Å; D434-Q524 PolarHBondContact OD2-NE2 2.85Å
435	V	98.4	Very high	97.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-59.3	-48.8	174	176.1	0	0	0	0	110.7	Q432 A438 T439 L484 Q524 L527 T528	Q432-V435 HydrophobicContact CB-CB 4.47Å; Q432-V435 HydrophobicContact CB-CG2 4.17Å; Q432-V435 PolarHBondContact O-N 2.98Å; V435-A438 PolarHBondContact O-N 3Å; V435-T439 PolarHBondContact O-N 3.32Å; V435-T439 PolarHBondContact O-OG1 3.07Å; V435-L484 HydrophobicContact CG2-CD2 4.49Å; V435-Q524 HydrophobicContact CG2-CB 4.12Å; V435-Q524 HydrophobicContact CG2-CG 3.86Å; V435-L527 HydrophobicContact CG1-CB 4.15Å; V435-T528 HydrophobicContact CG1-CG2 3.83Å
436	R	98.5	Very high	97.4	Very high	13 Å²	13	23 Å²	23	5%	0.049	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-44.4	-177.4	-66.1	173.9	-176.5	-154.8	-8	112.2	L372 T373 T374 L423 A426 A427 S430 Q432 V433 T439 L440	L372-R436 HydrophobicContact CD2-CB 4.26Å; L372-R436 WeakPolarHBondContact O-CD 3.3Å; L372-R436 PolarHBondContact O-NH1 3.43Å; T373-R436 VanDerWaalsContact C-NH1 3.32Å; T373-R436 PolarHBondContact O-NH1 2.86Å; T374-R436 PolarHBondContact O-NH1 3.37Å; L423-R436 HydrophobicContact CD1-CB 4Å; L423-R436 WeakPolarHBondContact CD1-O 3.46Å; A426-R436 HydrophobicContact CB-CG 4.49Å; A427-R436 PolarHBondContact O-NH2 2.77Å; S430-R436 VanDerWaalsContact O-CZ 3.25Å; S430-R436 PolarHBondContact O-NE 3.27Å; S430-R436 PolarHBondContact O-NH2 3.22Å; Q432-R436 WeakPolarHBondContact O-CG 3.46Å; Q432-R436 PolarHBondContact O-N 3.2Å; V433-R436 PolarHBondContact O-N 3.23Å; R436-T439 PolarHBondContact O-N 3.2Å; R436-L440 PolarHBondContact O-N 3.14Å
437	F	98.6	Very high	97.2	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-68.2	-40	177.3	-176.6	-100.4	0	0	0	112.1	W365 L372 V433 L440 C441 L471 V477 I481 A485	W365-F437 AromaticContact CH2-CD2 3.96Å; W365-F437 HydrophobicContact CH2-CD2 3.96Å; W365-F437 HydrophobicContact CH2-CE2 4.13Å; W365-F437 HydrophobicContact CH2-CG 4.22Å; W365-F437 AromaticContact CZ3-CD2 3.86Å; W365-F437 HydrophobicContact CZ3-CD2 3.86Å; W365-F437 AromaticContact CZ3-CE2 3.65Å; W365-F437 HydrophobicContact CZ3-CE2 3.65Å; W365-F437 HydrophobicContact CZ3-CZ 4.18Å; L372-F437 HydrophobicContact CD1-CB 4.01Å; L372-F437 HydrophobicContact CD1-CD2 3.92Å; L372-F437 HydrophobicContact CD1-CG 4.41Å; V433-F437 VanDerWaalsContact O-CB 3.29Å; V433-F437 WeakPolarHBondContact O-CB 3.15Å; V433-F437 PolarHBondContact O-N 3.13Å; F437-L440 HydrophobicContact CD2-CD2 4.43Å; F437-L440 WeakPolarHBondContact O-CB 3.42Å; F437-L440 PolarHBondContact O-N 3.29Å; F437-C441 PolarHBondContact O-N 3.36Å; F437-C441 VanDerWaalsContact O-N 3.09Å; F437-C441 PolarHBondContact O-SG 2.99Å; F437-L471 HydrophobicContact CE2-CD2 4.18Å; F437-L471 HydrophobicContact CZ-CD2 3.59Å; F437-V477 HydrophobicContact CE1-CG1 4.17Å; F437-V477 HydrophobicContact CZ-CG1 4.41Å; F437-V477 HydrophobicContact CZ-CG2 4.21Å; F437-I481 HydrophobicContact CB-CG2 3.9Å; F437-I481 HydrophobicContact CD1-CG2 3.27Å; F437-I481 HydrophobicContact CE1-CG2 3.95Å; F437-I481 HydrophobicContact CG-CG2 3.76Å; F437-A485 HydrophobicContact CD1-CB 3.96Å; F437-A485 HydrophobicContact CE1-CB 4.01Å
438	A	98.5	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-41	175.6	0	0	0	0	0	111.8	D434 V435 C441 H442 L484 A485 V488 T528	D434-A438 WeakPolarHBondContact O-CB 3.47Å; D434-A438 PolarHBondContact O-N 2.91Å; V435-A438 PolarHBondContact O-N 3Å; A438-C441 PolarHBondContact O-N 3.42Å; A438-C441 VanDerWaalsContact O-N 3.16Å; A438-H442 PolarHBondContact O-N 2.84Å; A438-H442 VanDerWaalsContact O-N 3.14Å; A438-L484 HydrophobicContact CB-CD2 4.11Å; A438-L484 HydrophobicContact CB-CG 3.87Å; A438-A485 HydrophobicContact CB-CB 4.15Å; A438-V488 HydrophobicContact CB-CB 4.09Å; A438-V488 HydrophobicContact CB-CG1 4.47Å; A438-V488 HydrophobicContact CB-CG2 3.85Å; A438-T528 HydrophobicContact CB-CG2 4.2Å
439	T	98.3	Very high	96.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-44.9	171.4	-62.9	0	0	0	0	111.7	A426 V435 R436 C441 H442 T528 A531	A426-T439 HydrophobicContact CB-CG2 3.95Å; V435-T439 PolarHBondContact O-N 3.32Å; V435-T439 PolarHBondContact O-OG1 3.07Å; R436-T439 PolarHBondContact O-N 3.2Å; T439-C441 PolarHBondContact O-N 3.3Å; T439-C441 VanDerWaalsContact O-N 3.12Å; T439-H442 PolarHBondContact O-N 3.13Å; T439-H442 PolarHBondContact O-ND1 3.4Å; T439-T528 WeakPolarHBondContact OG1-CG2 3.49Å; T439-A531 HydrophobicContact CG2-CB 4.12Å
440	L	98.1	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.3	-30	176.1	178	71	0	0	0	112.5	F381 I397 T419 L423 R436 F437	F381-L440 HydrophobicContact CD1-CD2 4.45Å; F381-L440 HydrophobicContact CD2-CD1 4.25Å; F381-L440 HydrophobicContact CD2-CD2 4.35Å; F381-L440 HydrophobicContact CE1-CD2 3.7Å; F381-L440 HydrophobicContact CE2-CD1 4.25Å; F381-L440 HydrophobicContact CE2-CD2 3.58Å; F381-L440 HydrophobicContact CG-CD1 4.48Å; F381-L440 HydrophobicContact CZ-CD1 4.48Å; F381-L440 HydrophobicContact CZ-CD2 3.21Å; F381-L440 HydrophobicContact CZ-CG 4.46Å; I397-L440 HydrophobicContact CD1-CD1 4.02Å; I397-L440 HydrophobicContact CD1-CD2 3.66Å; I397-L440 HydrophobicContact CD1-CG 3.86Å; T419-L440 HydrophobicContact CG2-CD1 3.77Å; T419-L440 WeakPolarHBondContact CG2-O 3.3Å; L423-L440 HydrophobicContact CD1-CB 4.48Å; L423-L440 HydrophobicContact CD2-CB 4.47Å; L423-L440 HydrophobicContact CD2-CD1 3.85Å; R436-L440 PolarHBondContact O-N 3.14Å; F437-L440 HydrophobicContact CD2-CD2 4.43Å; F437-L440 WeakPolarHBondContact O-CB 3.42Å; F437-L440 PolarHBondContact O-N 3.29Å
441	C	98	Very high	96.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-93.1	-5.7	-176.7	-66.7	0	0	0	0	115.1	F437 A438 T439 D443 L444 V468 A485	F437-C441 PolarHBondContact O-N 3.36Å; F437-C441 VanDerWaalsContact O-N 3.09Å; F437-C441 PolarHBondContact O-SG 2.99Å; A438-C441 PolarHBondContact O-N 3.42Å; A438-C441 VanDerWaalsContact O-N 3.16Å; T439-C441 PolarHBondContact O-N 3.3Å; T439-C441 VanDerWaalsContact O-N 3.12Å; C441-D443 PolarHBondContact O-N 3.35Å; C441-D443 VanDerWaalsContact O-N 3.17Å; C441-L444 HydrophobicContact CB-CD1 4.09Å; C441-L444 HydrophobicContact CB-CG 4.39Å; C441-L444 WeakPolarHBondContact O-CG 3.4Å; C441-L444 PolarHBondContact O-N 2.9Å; C441-V468 HydrophobicContact CB-CG2 3.83Å; C441-A485 HydrophobicContact CB-CB 4.21Å
442	H	96.7	Very high	96.4	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.014	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.3	-167.5	78	-74.1	0	0	0	113.2	H418 A438 T439 V488 H492 D532	H418-H442 AromaticContact CD2-CE1 3.99Å; H418-H442 AromaticContact CD2-NE2 3.77Å; H418-H442 AromaticContact NE2-CE1 3.83Å; H418-H442 AromaticContact NE2-NE2 3.35Å; H418-H442 PolarHBondContact NE2-NE2 3Å; A438-H442 PolarHBondContact O-N 2.84Å; A438-H442 VanDerWaalsContact O-N 3.14Å; T439-H442 PolarHBondContact O-N 3.13Å; T439-H442 PolarHBondContact O-ND1 3.4Å; H442-V488 HydrophobicContact CB-CG1 3.86Å; H442-H492 AromaticContact CD2-CD2 3.86Å; H442-H492 AromaticContact CD2-NE2 3.81Å; H442-H492 PolarHBondContact O-CE1 2.94Å; H442-H492 VanDerWaalsContact O-CE1 3.27Å; H442-D532 IonicContact CD2-OD1 3.99Å; H442-D532 IonicContact CD2-OD2 3.69Å; H442-D532 IonicContact NE2-OD1 2.73Å; H442-D532 PolarHBondContact NE2-OD1 3.49Å
443	D	96.2	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	7	-170.3	-99.9	-13.7	0	0	0	114.5	L400 T415 H418 C441 G445 K446 H460 H492	L400-D443 WeakPolarHBondContact CD2-O 3.48Å; T415-D443 HydrophobicContact CG2-CB 4.24Å; H418-D443 IonicContact CD2-OD2 2.78Å; H418-D443 PolarHBondContact CD2-OD2 3.11Å; H418-D443 IonicContact NE2-OD2 2.7Å; C441-D443 PolarHBondContact O-N 3.35Å; C441-D443 VanDerWaalsContact O-N 3.17Å; D443-G445 PolarHBondContact O-N 3.12Å; D443-K446 HydrophobicContact CB-CD 4.16Å; D443-K446 HydrophobicContact CB-CG 4.5Å; D443-K446 VanDerWaalsContact CG-CE 3.48Å; D443-K446 WeakPolarHBondContact O-CB 3.28Å; D443-K446 PolarHBondContact O-N 3.36Å; D443-K446 WeakPolarHBondContact OD1-CD 3.43Å; D443-K446 WeakPolarHBondContact OD1-CE 3.25Å; D443-K446 IonicContact OD1-NZ 3.4Å; D443-K446 PolarHBondContact OD1-NZ 3.29Å; D443-K446 WeakPolarHBondContact OD2-CE 3.33Å; D443-K446 IonicContact OD2-NZ 3.89Å; D443-K446 PolarHBondContact OD2-NZ 3.36Å; D443-H460 IonicContact OD1-CD2 2.6Å; D443-H460 IonicContact OD1-NE2 3.56Å; D443-H492 IonicContact OD1-NE2 3.19Å
444	L	97	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-52.4	-33.4	-175.6	-67.9	-176.2	0	0	0	113	E396 I397 L400 C441 K446 G447 L467 V468 L471	E396-L444 HydrophobicContact CB-CD1 4.26Å; E396-L444 HydrophobicContact CB-CD2 4.08Å; I397-L444 HydrophobicContact CG1-CD2 3.92Å; L400-L444 HydrophobicContact CD1-CD2 4.09Å; C441-L444 HydrophobicContact CB-CD1 4.09Å; C441-L444 HydrophobicContact CB-CG 4.39Å; C441-L444 WeakPolarHBondContact O-CG 3.4Å; C441-L444 PolarHBondContact O-N 2.9Å; L444-K446 PolarHBondContact O-N 2.92Å; L444-G447 PolarHBondContact O-N 3.19Å; L444-L467 HydrophobicContact CB-CB 4.32Å; L444-L467 HydrophobicContact CB-CD1 4.09Å; L444-L467 VanDerWaalsContact O-CD1 3.3Å; L444-L467 WeakPolarHBondContact O-CD1 3.39Å; L444-V468 HydrophobicContact CD1-CG2 3.9Å; L444-L471 HydrophobicContact CD1-CD1 4.29Å
445	G	95.7	Very high	95.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-63.5	-23.3	178	0	0	0	0	0	114.5	D443 G447 L448 H460	D443-G445 PolarHBondContact O-N 3.12Å; G445-G447 PolarHBondContact O-N 3.48Å; G445-L448 PolarHBondContact O-N 3.12Å; G445-H460 WeakPolarHBondContact CA-O 3.49Å
446	K	95.3	Very high	95.1	Very high	12 Å²	12	41.6 Å²	41.6	5%	0.052	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-63.3	-29.9	177.8	-69.2	-175.9	176.3	157.2	0	111.6	L400 T415 D443 L444 L448 T449 H457 H460	L400-K446 HydrophobicContact CD2-CB 4.23Å; T415-K446 HydrophobicContact CG2-CB 4.1Å; T415-K446 HydrophobicContact CG2-CD 3.68Å; T415-K446 HydrophobicContact CG2-CG 4.47Å; D443-K446 HydrophobicContact CB-CD 4.16Å; D443-K446 HydrophobicContact CB-CG 4.5Å; D443-K446 VanDerWaalsContact CG-CE 3.48Å; D443-K446 WeakPolarHBondContact O-CB 3.28Å; D443-K446 PolarHBondContact O-N 3.36Å; D443-K446 WeakPolarHBondContact OD1-CD 3.43Å; D443-K446 WeakPolarHBondContact OD1-CE 3.25Å; D443-K446 IonicContact OD1-NZ 3.4Å; D443-K446 PolarHBondContact OD1-NZ 3.29Å; D443-K446 WeakPolarHBondContact OD2-CE 3.33Å; D443-K446 IonicContact OD2-NZ 3.89Å; D443-K446 PolarHBondContact OD2-NZ 3.36Å; L444-K446 PolarHBondContact O-N 2.92Å; K446-L448 PolarHBondContact O-N 2.95Å; K446-T449 WeakPolarHBondContact O-CB 3.42Å; K446-T449 PolarHBondContact O-N 3.09Å; K446-T449 VanDerWaalsContact O-N 3.12Å; K446-T449 PolarHBondContact O-OG1 3.38Å; K446-H457 HydrophobicContact CB-CB 4.48Å; K446-H457 HydrophobicContact CD-CB 4.48Å; K446-H457 HydrophobicContact CG-CB 3.89Å; K446-H460 HydrophobicContact CG-CB 3.99Å
447	G	94.8	Very high	94.7	Very high	27 Å²	27	41.2 Å²	41.2	28%	0.278	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-65.6	-15.7	174.5	0	0	0	0	0	114.4	L444 G445	L444-G447 PolarHBondContact O-N 3.19Å; G445-G447 PolarHBondContact O-N 3.48Å
448	L	94.1	Very high	94.2	Very high	100 Å²	100	47.5 Å²	47.5	52%	0.524	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-93	-9.4	174.5	-59.4	-179.8	0	0	0	113.4	G445 K446 P450 A463 L467	G445-L448 PolarHBondContact O-N 3.12Å; K446-L448 PolarHBondContact O-N 2.95Å; L448-P450 WeakPolarHBondContact O-CD 3.46Å; L448-A463 HydrophobicContact CD1-CB 4.3Å; L448-L467 HydrophobicContact CD1-CD1 3.68Å; L448-L467 HydrophobicContact CD1-CD2 4.18Å; L448-L467 HydrophobicContact CD1-CG 3.87Å; L448-L467 HydrophobicContact CD2-CD1 4.2Å; L448-L467 HydrophobicContact CD2-CD2 4.39Å; L448-L467 HydrophobicContact CG-CD1 3.74Å; L448-L467 HydrophobicContact CG-CG 4.41Å
449	T	93.2	Very high	93.7	Very high	14 Å²	14	50 Å²	50	9%	0.086	27%	0.265	C	S	.	.	S	Bend	trans	-69.6	124.1	-177.9	-61.4	0	0	0	0	109.6	K446 L453 W454 H457	K446-T449 WeakPolarHBondContact O-CB 3.42Å; K446-T449 PolarHBondContact O-N 3.09Å; K446-T449 VanDerWaalsContact O-N 3.12Å; K446-T449 PolarHBondContact O-OG1 3.38Å; T449-L453 HydrophobicContact CG2-CB 3.82Å; T449-W454 PolarHBondContact O-NE1 2.96Å; T449-H457 VanDerWaalsContact CB-ND1 3.31Å; T449-H457 WeakPolarHBondContact CB-ND1 3.39Å; T449-H457 HydrophobicContact CG2-CB 4.34Å; T449-H457 PolarHBondContact OG1-ND1 3.08Å
450	P	92.7	Very high	93.4	Very high	51 Å²	51	50.6 Å²	50.6	33%	0.331	27%	0.268	S	S	.	.			trans	-58.5	143.1	174.8	-24.6	34.1	0	0	0	112.6	L448 E452 L453	L448-P450 WeakPolarHBondContact O-CD 3.46Å; P450-E452 HydrophobicContact CB-CG 4.19Å; P450-E452 WeakPolarHBondContact CB-OE1 3.34Å; P450-E452 VanDerWaalsContact CB-OE2 3.26Å; P450-E452 WeakPolarHBondContact CB-OE2 3.46Å; P450-E452 PolarHBondContact O-N 3.03Å; P450-E452 VanDerWaalsContact O-N 3.12Å; P450-L453 PolarHBondContact O-N 3.46Å
451	P	92.8	Very high	93.1	Very high	82 Å²	82	50.8 Å²	50.8	53%	0.532	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-53.8	-32.9	-177.8	-28.6	36.1	0	0	0	115.3	L453 W454	P451-L453 PolarHBondContact O-N 3.37Å; P451-W454 HydrophobicContact CB-CD2 4.19Å; P451-W454 HydrophobicContact CB-CE3 4.06Å; P451-W454 HydrophobicContact CB-CH2 4.29Å; P451-W454 HydrophobicContact CB-CZ2 4.37Å; P451-W454 HydrophobicContact CB-CZ3 4.12Å; P451-W454 HydrophobicContact CG-CH2 4.06Å; P451-W454 HydrophobicContact CG-CZ2 4.03Å; P451-W454 HydrophobicContact CG-CZ3 4.38Å; P451-W454 WeakPolarHBondContact O-CB 3.42Å; P451-W454 PolarHBondContact O-N 2.78Å; P451-W454 VanDerWaalsContact O-N 3.14Å
452	E	93.7	Very high	92.8	Very high	151 Å²	151	54.9 Å²	54.9	71%	0.706	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-65.5	-17.2	177.4	63.3	-88	-158.8	0	0	114.2	P450	P450-E452 HydrophobicContact CB-CG 4.19Å; P450-E452 WeakPolarHBondContact CB-OE1 3.34Å; P450-E452 VanDerWaalsContact CB-OE2 3.26Å; P450-E452 WeakPolarHBondContact CB-OE2 3.46Å; P450-E452 PolarHBondContact O-N 3.03Å; P450-E452 VanDerWaalsContact O-N 3.12Å
453	L	91.7	Very high	92.6	Very high	89 Å²	89	56.6 Å²	56.6	47%	0.466	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-101.8	-0.5	177	-59.6	-176.7	0	0	0	112.9	T449 P450 P451 R456	T449-L453 HydrophobicContact CG2-CB 3.82Å; P450-L453 PolarHBondContact O-N 3.46Å; P451-L453 PolarHBondContact O-N 3.37Å; L453-R456 PolarHBondContact O-N 3.18Å
454	W	91.7	Very high	92.5	Very high	89 Å²	89	56.6 Å²	56.6	34%	0.337	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	147.9	175.7	-66	-6	0	0	0	111.3	V403 P404 T449 P451 H457	V403-W454 HydrophobicContact CG1-CZ2 4.2Å; V403-W454 HydrophobicContact CG2-CZ2 4.08Å; P404-W454 HydrophobicContact CG-CB 4.09Å; P404-W454 HydrophobicContact CG-CD2 3.94Å; P404-W454 HydrophobicContact CG-CE3 3.56Å; P404-W454 HydrophobicContact CG-CG 4.21Å; P404-W454 HydrophobicContact CG-CZ3 4.27Å; T449-W454 PolarHBondContact O-NE1 2.96Å; P451-W454 HydrophobicContact CB-CD2 4.19Å; P451-W454 HydrophobicContact CB-CE3 4.06Å; P451-W454 HydrophobicContact CB-CH2 4.29Å; P451-W454 HydrophobicContact CB-CZ2 4.37Å; P451-W454 HydrophobicContact CB-CZ3 4.12Å; P451-W454 HydrophobicContact CG-CH2 4.06Å; P451-W454 HydrophobicContact CG-CZ2 4.03Å; P451-W454 HydrophobicContact CG-CZ3 4.38Å; P451-W454 WeakPolarHBondContact O-CB 3.42Å; P451-W454 PolarHBondContact O-N 2.78Å; P451-W454 VanDerWaalsContact O-N 3.14Å; W454-H457 AromaticContact CD1-CE1 3.37Å; W454-H457 AromaticContact CD1-ND1 3.78Å; W454-H457 AromaticContact NE1-CE1 3.74Å
455	P	91.7	Very high	92.5	Very high	51 Å²	51	57.4 Å²	57.4	33%	0.331	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.5	23.2	-1.1	37.9	-36.3	0	0	0	113.1	P404 P406 H457	P404-P455 WeakPolarHBondContact O-CA 3.34Å; P404-P455 WeakPolarHBondContact O-CB 3.47Å; P406-P455 HydrophobicContact CB-CG 4.45Å; P406-P455 WeakPolarHBondContact CD-O 3.14Å; P406-P455 HydrophobicContact CG-CB 4.17Å; P406-P455 HydrophobicContact CG-CG 4.2Å; P406-P455 WeakPolarHBondContact CG-O 3.26Å; P455-H457 VanDerWaalsContact C-CD2 3.49Å; P455-H457 PolarHBondContact O-CD2 3.12Å; P455-H457 PolarHBondContact O-NE2 3.07Å
456	R	89.4	Confident	92.5	Very high	189 Å²	189	63.8 Å²	63.8	71%	0.713	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.5	-167.5	-63.3	-175.3	-177	174.8	2.3	114.5	L453 H458	L453-R456 PolarHBondContact O-N 3.18Å; R456-H458 VanDerWaalsContact C-N 3.31Å; R456-H458 VanDerWaalsContact CB-CE1 3.46Å; R456-H458 WeakPolarHBondContact CB-CE1 3.49Å; R456-H458 VanDerWaalsContact CD-CE1 3.49Å; R456-H458 WeakPolarHBondContact CD-CE1 3.31Å; R456-H458 PolarHBondContact O-N 3.01Å
457	H	90.3	Very high	92.6	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.019	35%	0.347	C	S	.	.			trans	44.1	47.4	177.5	-47	-74.7	0	0	0	115.2	V403 P404 K446 T449 W454 P455 G459 H460	V403-H457 WeakPolarHBondContact CG1-CE1 3.47Å; P404-H457 PolarHBondContact O-NE2 3.44Å; K446-H457 HydrophobicContact CB-CB 4.48Å; K446-H457 HydrophobicContact CD-CB 4.48Å; K446-H457 HydrophobicContact CG-CB 3.89Å; T449-H457 VanDerWaalsContact CB-ND1 3.31Å; T449-H457 WeakPolarHBondContact CB-ND1 3.39Å; T449-H457 HydrophobicContact CG2-CB 4.34Å; T449-H457 PolarHBondContact OG1-ND1 3.08Å; W454-H457 AromaticContact CD1-CE1 3.37Å; W454-H457 AromaticContact CD1-ND1 3.78Å; W454-H457 AromaticContact NE1-CE1 3.74Å; P455-H457 VanDerWaalsContact C-CD2 3.49Å; P455-H457 PolarHBondContact O-CD2 3.12Å; P455-H457 PolarHBondContact O-NE2 3.07Å; H457-G459 PolarHBondContact O-N 2.92Å; H457-H460 HydrophobicContact CB-CB 4.17Å; H457-H460 WeakPolarHBondContact O-CB 3.35Å; H457-H460 PolarHBondContact O-N 2.92Å; H457-H460 PolarHBondContact O-ND1 2.95Å
458	H	88.2	Confident	92.8	Very high	134 Å²	134	63 Å²	63	62%	0.62	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	133.9	178.3	-63.3	99.8	0	0	0	111.6	R456 H460	R456-H458 VanDerWaalsContact C-N 3.31Å; R456-H458 VanDerWaalsContact CB-CE1 3.46Å; R456-H458 WeakPolarHBondContact CB-CE1 3.49Å; R456-H458 VanDerWaalsContact CD-CE1 3.49Å; R456-H458 WeakPolarHBondContact CD-CE1 3.31Å; R456-H458 PolarHBondContact O-N 3.01Å; H458-H460 VanDerWaalsContact C-N 3.26Å; H458-H460 PolarHBondContact O-N 2.96Å
459	G	88.5	Confident	93	Very high	53 Å²	53	61.6 Å²	61.6	55%	0.546	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	10.5	176.2	0	0	0	0	0	115	H457 G461 P462 A463	H457-G459 PolarHBondContact O-N 2.92Å; G459-G461 VanDerWaalsContact C-N 3.31Å; G459-G461 PolarHBondContact O-N 3.43Å; G459-P462 WeakPolarHBondContact O-CD 3.37Å; G459-A463 PolarHBondContact O-N 3.34Å
460	H	91.5	Very high	93.2	Very high	12 Å²	12	65.1 Å²	65.1	6%	0.056	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-35.6	-179.4	74	-86.1	0	0	0	112.8	D443 G445 K446 H457 H458 A463 G464 H492 D493	D443-H460 IonicContact OD1-CD2 2.6Å; D443-H460 IonicContact OD1-NE2 3.56Å; G445-H460 WeakPolarHBondContact CA-O 3.49Å; K446-H460 HydrophobicContact CG-CB 3.99Å; H457-H460 HydrophobicContact CB-CB 4.17Å; H457-H460 WeakPolarHBondContact O-CB 3.35Å; H457-H460 PolarHBondContact O-N 2.92Å; H457-H460 PolarHBondContact O-ND1 2.95Å; H458-H460 VanDerWaalsContact C-N 3.26Å; H458-H460 PolarHBondContact O-N 2.96Å; H460-A463 PolarHBondContact O-N 3.1Å; H460-G464 PolarHBondContact O-N 2.95Å; H460-H492 AromaticContact NE2-CE1 3.5Å; H460-H492 AromaticContact NE2-NE2 3.61Å; H460-D493 IonicContact CE1-OD1 3.73Å; H460-D493 IonicContact CE1-OD2 3.18Å; H460-D493 PolarHBondContact CE1-OD2 2.9Å; H460-D493 IonicContact ND1-OD2 3.4Å; H460-D493 IonicContact NE2-OD2 3.78Å
461	G	91	Very high	93.4	Very high	4 Å²	4	62.7 Å²	62.7	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-55.7	-62	179	0	0	0	0	0	113.1	G459 A463 G464 V465 A489	G459-G461 VanDerWaalsContact C-N 3.31Å; G459-G461 PolarHBondContact O-N 3.43Å; G461-A463 VanDerWaalsContact C-N 3.29Å; G461-A463 PolarHBondContact O-N 3.38Å; G461-G464 PolarHBondContact O-N 2.83Å; G461-V465 PolarHBondContact O-N 2.69Å; G461-A489 CarbonylContact C-O 3.55Å; G461-A489 WeakPolarHBondContact CA-O 3.35Å
462	P	92	Very high	93.7	Very high	87 Å²	87	58.9 Å²	58.9	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-57.8	-35.9	175.3	-27.6	35.5	0	0	0	114.3	G459 G464 V465	G459-P462 WeakPolarHBondContact O-CD 3.37Å; P462-G464 VanDerWaalsContact C-N 3.33Å; P462-V465 PolarHBondContact O-N 3.09Å
463	A	92.5	Very high	93.9	Very high	38 Å²	38	58.1 Å²	58.1	31%	0.314	30%	0.296	S	S	.	.	H	α-helix	trans	-66.6	-36.2	176.2	0	0	0	0	0	112.2	L448 G459 H460 G461 V465 K466	L448-A463 HydrophobicContact CD1-CB 4.3Å; G459-A463 PolarHBondContact O-N 3.34Å; H460-A463 PolarHBondContact O-N 3.1Å; G461-A463 VanDerWaalsContact C-N 3.29Å; G461-A463 PolarHBondContact O-N 3.38Å; A463-V465 VanDerWaalsContact C-N 3.32Å; A463-V465 PolarHBondContact O-N 3.09Å; A463-K466 PolarHBondContact O-N 2.68Å
464	G	95	Very high	94.1	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-32.3	178	0	0	0	0	0	113.2	H460 G461 P462 K466 L467 V468	H460-G464 PolarHBondContact O-N 2.95Å; G461-G464 PolarHBondContact O-N 2.83Å; P462-G464 VanDerWaalsContact C-N 3.33Å; G464-K466 VanDerWaalsContact C-N 3.27Å; G464-K466 PolarHBondContact O-N 2.93Å; G464-L467 WeakPolarHBondContact O-CB 3.26Å; G464-L467 PolarHBondContact O-N 2.93Å; G464-V468 WeakPolarHBondContact O-CG2 3.29Å; G464-V468 PolarHBondContact O-N 2.89Å
465	V	97.1	Very high	94.4	Very high	17 Å²	17	54 Å²	54	10%	0.103	27%	0.274	C	S	.	.	H	α-helix	trans	-54.1	-44.5	178.7	180	0	0	0	0	111.7	G461 P462 A463 V468 E469 R486 E490	G461-V465 PolarHBondContact O-N 2.69Å; P462-V465 PolarHBondContact O-N 3.09Å; A463-V465 VanDerWaalsContact C-N 3.32Å; A463-V465 PolarHBondContact O-N 3.09Å; V465-V468 PolarHBondContact O-N 3.12Å; V465-E469 WeakPolarHBondContact O-CG 3.4Å; V465-E469 PolarHBondContact O-N 3.03Å; V465-R486 HydrophobicContact CG1-CB 4.26Å; V465-R486 HydrophobicContact CG1-CG 4.24Å; V465-E490 HydrophobicContact CG2-CB 3.69Å; V465-E490 HydrophobicContact CG2-CG 4.2Å
466	K	96.4	Very high	94.6	Very high	134 Å²	134	59 Å²	59	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-66.3	-38.2	179.2	-173.4	179	178.6	-176.4	0	112.1	A463 G464 E469 Q470	A463-K466 PolarHBondContact O-N 2.68Å; G464-K466 VanDerWaalsContact C-N 3.27Å; G464-K466 PolarHBondContact O-N 2.93Å; K466-E469 PolarHBondContact O-N 3.25Å; K466-Q470 VanDerWaalsContact O-CG 3.27Å; K466-Q470 WeakPolarHBondContact O-CG 3.42Å; K466-Q470 PolarHBondContact O-N 3.15Å
467	L	97.2	Very high	95	Very high	22 Å²	22	50.4 Å²	50.4	12%	0.115	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-43.7	175.7	-69	-179	0	0	0	111.5	E396 L444 L448 G464 E469 Q470 L471	E396-L467 HydrophobicContact CG-CD2 4.38Å; L444-L467 HydrophobicContact CB-CB 4.32Å; L444-L467 HydrophobicContact CB-CD1 4.09Å; L444-L467 VanDerWaalsContact O-CD1 3.3Å; L444-L467 WeakPolarHBondContact O-CD1 3.39Å; L448-L467 HydrophobicContact CD1-CD1 3.68Å; L448-L467 HydrophobicContact CD1-CD2 4.18Å; L448-L467 HydrophobicContact CD1-CG 3.87Å; L448-L467 HydrophobicContact CD2-CD1 4.2Å; L448-L467 HydrophobicContact CD2-CD2 4.39Å; L448-L467 HydrophobicContact CG-CD1 3.74Å; L448-L467 HydrophobicContact CG-CG 4.41Å; G464-L467 WeakPolarHBondContact O-CB 3.26Å; G464-L467 PolarHBondContact O-N 2.93Å; L467-E469 VanDerWaalsContact C-N 3.34Å; L467-E469 PolarHBondContact O-N 3.44Å; L467-Q470 PolarHBondContact O-N 2.97Å; L467-L471 WeakPolarHBondContact O-CB 2.97Å; L467-L471 PolarHBondContact O-N 3.22Å
468	V	98.1	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-46.1	175.9	175.7	0	0	0	0	110.7	C441 L444 G464 V465 Q470 L471 C472 A485 R486 A489	C441-V468 HydrophobicContact CB-CG2 3.83Å; L444-V468 HydrophobicContact CD1-CG2 3.9Å; G464-V468 WeakPolarHBondContact O-CG2 3.29Å; G464-V468 PolarHBondContact O-N 2.89Å; V465-V468 PolarHBondContact O-N 3.12Å; V468-Q470 PolarHBondContact O-N 3.38Å; V468-L471 PolarHBondContact O-N 3.44Å; V468-C472 VanDerWaalsContact O-CB 3.26Å; V468-C472 WeakPolarHBondContact O-CB 3.48Å; V468-C472 PolarHBondContact O-N 3.13Å; V468-C472 PolarHBondContact O-SG 2.88Å; V468-A485 HydrophobicContact CG1-CB 3.6Å; V468-R486 HydrophobicContact CB-CG 4.35Å; V468-R486 HydrophobicContact CG1-CG 3.89Å; V468-A489 HydrophobicContact CG2-CB 4.11Å
469	E	97.9	Very high	95.8	Very high	72 Å²	72	51.3 Å²	51.3	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-57.7	-46.5	176.4	-75.2	173.4	177.3	0	0	112.3	V465 K466 L467 C472 Q473 R486	V465-E469 WeakPolarHBondContact O-CG 3.4Å; V465-E469 PolarHBondContact O-N 3.03Å; K466-E469 PolarHBondContact O-N 3.25Å; L467-E469 VanDerWaalsContact C-N 3.34Å; L467-E469 PolarHBondContact O-N 3.44Å; E469-C472 PolarHBondContact O-N 2.98Å; E469-Q473 VanDerWaalsContact O-CB 3.25Å; E469-Q473 WeakPolarHBondContact O-CB 3.41Å; E469-Q473 PolarHBondContact O-N 2.88Å; E469-R486 HydrophobicContact CG-CG 4.07Å; E469-R486 IonicContact OE1-CZ 2.7Å; E469-R486 IonicContact OE1-NE 2.75Å; E469-R486 PolarHBondContact OE1-NE 3.29Å; E469-R486 IonicContact OE1-NH2 3.47Å; E469-R486 PolarHBondContact OE1-NH2 3.47Å
470	Q	97.5	Very high	96.2	Very high	87 Å²	87	53.6 Å²	53.6	41%	0.407	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-46.3	179.9	-73.2	174.4	-21.7	0	0	112.2	K466 L467 V468 Q473 R474	K466-Q470 VanDerWaalsContact O-CG 3.27Å; K466-Q470 WeakPolarHBondContact O-CG 3.42Å; K466-Q470 PolarHBondContact O-N 3.15Å; L467-Q470 PolarHBondContact O-N 2.97Å; V468-Q470 PolarHBondContact O-N 3.38Å; Q470-Q473 PolarHBondContact O-N 2.83Å; Q470-R474 VanDerWaalsContact O-CB 3.27Å; Q470-R474 WeakPolarHBondContact O-CB 3.43Å; Q470-R474 PolarHBondContact O-N 3.33Å
471	L	97.8	Very high	96.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-48.9	176.4	179.9	159.8	0	0	0	110.5	F394 E396 F437 L444 L467 V468 Q473 R474 L475	F394-L471 HydrophobicContact CD1-CD1 4.39Å; E396-L471 HydrophobicContact CB-CD1 4.34Å; E396-L471 HydrophobicContact CG-CD1 4.45Å; F437-L471 HydrophobicContact CE2-CD2 4.18Å; F437-L471 HydrophobicContact CZ-CD2 3.59Å; L444-L471 HydrophobicContact CD1-CD1 4.29Å; L467-L471 WeakPolarHBondContact O-CB 2.97Å; L467-L471 PolarHBondContact O-N 3.22Å; V468-L471 PolarHBondContact O-N 3.44Å; L471-Q473 VanDerWaalsContact C-N 3.34Å; L471-Q473 PolarHBondContact O-N 3.12Å; L471-R474 PolarHBondContact O-N 3.38Å; L471-L475 HydrophobicContact CD2-CD1 4.14Å; L471-L475 HydrophobicContact CG-CD1 4.4Å; L471-L475 PolarHBondContact O-N 3.41Å
472	C	98.2	Very high	96.8	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-38.2	179.7	-72.5	0	0	0	0	112.5	V468 E469 R476 V477 R482	V468-C472 VanDerWaalsContact O-CB 3.26Å; V468-C472 WeakPolarHBondContact O-CB 3.48Å; V468-C472 PolarHBondContact O-N 3.13Å; V468-C472 PolarHBondContact O-SG 2.88Å; E469-C472 PolarHBondContact O-N 2.98Å; C472-R476 WeakPolarHBondContact O-CA 3.49Å; C472-R476 PolarHBondContact O-N 2.98Å; C472-V477 HydrophobicContact CB-CB 3.85Å; C472-V477 HydrophobicContact CB-CG2 4.13Å; C472-V477 PolarHBondContact O-N 2.82Å; C472-R482 HydrophobicContact CB-CB 3.84Å; C472-R482 HydrophobicContact CB-CG 3.54Å
473	Q	97.5	Very high	97.1	Very high	135 Å²	135	54.1 Å²	54.1	63%	0.631	26%	0.256	S	S	*	.	H	α-helix	trans	-65	-44.6	174.8	-176.8	178.2	14.5	0	0	111.4	E469 Q470 L471 R476	E469-Q473 VanDerWaalsContact O-CB 3.25Å; E469-Q473 WeakPolarHBondContact O-CB 3.41Å; E469-Q473 PolarHBondContact O-N 2.88Å; Q470-Q473 PolarHBondContact O-N 2.83Å; L471-Q473 VanDerWaalsContact C-N 3.34Å; L471-Q473 PolarHBondContact O-N 3.12Å; Q473-R476 PolarHBondContact O-N 3.39Å
474	R	97.2	Very high	97.3	Very high	85 Å²	85	52.4 Å²	52.4	32%	0.321	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-43.4	-179.7	179.7	167.4	55.8	75.7	1.3	111.9	P361 L393 E396 Q470 L471	P361-R474 WeakPolarHBondContact CB-O 3.46Å; P361-R474 WeakPolarHBondContact CG-O 3.2Å; L393-R474 PolarHBondContact O-NH1 3.38Å; L393-R474 PolarHBondContact O-NH2 3.06Å; E396-R474 VanDerWaalsContact CD-NH2 3.25Å; E396-R474 IonicContact OE1-CZ 3.95Å; E396-R474 IonicContact OE1-NE 3.67Å; E396-R474 IonicContact OE1-NH2 2.85Å; E396-R474 PolarHBondContact OE1-NH2 2.82Å; E396-R474 IonicContact OE2-NH2 3.53Å; E396-R474 PolarHBondContact OE2-NH2 3.29Å; Q470-R474 VanDerWaalsContact O-CB 3.27Å; Q470-R474 WeakPolarHBondContact O-CB 3.43Å; Q470-R474 PolarHBondContact O-N 3.33Å; L471-R474 PolarHBondContact O-N 3.38Å
475	L	96.8	Very high	97.5	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-92.3	3.6	-178	-63.5	-178.1	0	0	0	114.5	V364 W365 F394 L471 V477	V364-L475 HydrophobicContact CB-CD2 4.24Å; V364-L475 HydrophobicContact CG1-CD2 3.79Å; W365-L475 WeakPolarHBondContact CB-O 3.27Å; F394-L475 HydrophobicContact CD1-CD1 3.84Å; F394-L475 HydrophobicContact CE1-CD1 3.28Å; F394-L475 HydrophobicContact CZ-CD1 3.98Å; L471-L475 HydrophobicContact CD2-CD1 4.14Å; L471-L475 HydrophobicContact CG-CD1 4.4Å; L471-L475 PolarHBondContact O-N 3.41Å; L475-V477 VanDerWaalsContact C-N 3.25Å; L475-V477 HydrophobicContact CB-CG2 4.04Å; L475-V477 PolarHBondContact O-N 2.96Å
476	R	96.9	Very high	97.5	Very high	158 Å²	158	55.1 Å²	55.1	60%	0.596	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	38.9	-178.5	-53.2	-60.5	-168.7	-171.1	-0.1	113.5	P361 E362 C472 Q473	P361-R476 HydrophobicContact CB-CG 4.14Å; E362-R476 HydrophobicContact CG-CB 4.43Å; E362-R476 HydrophobicContact CG-CG 4.36Å; E362-R476 WeakPolarHBondContact OE1-CG 3.27Å; C472-R476 WeakPolarHBondContact O-CA 3.49Å; C472-R476 PolarHBondContact O-N 2.98Å; Q473-R476 PolarHBondContact O-N 3.39Å
477	V	98	Very high	97.6	Very high	8 Å²	8	49.4 Å²	49.4	5%	0.048	23%	0.226	C	C	.	.			trans	-63.3	134.9	178.9	179.8	0	0	0	0	110	W365 F437 C472 L475 I481	W365-V477 HydrophobicContact CD2-CG2 3.98Å; W365-V477 HydrophobicContact CE3-CB 4.47Å; W365-V477 HydrophobicContact CE3-CG2 3.55Å; W365-V477 HydrophobicContact CH2-CB 4.43Å; W365-V477 HydrophobicContact CH2-CG1 3.65Å; W365-V477 HydrophobicContact CH2-CG2 4.1Å; W365-V477 HydrophobicContact CZ2-CG1 3.81Å; W365-V477 HydrophobicContact CZ3-CB 4.41Å; W365-V477 HydrophobicContact CZ3-CG1 4.05Å; W365-V477 HydrophobicContact CZ3-CG2 3.61Å; F437-V477 HydrophobicContact CE1-CG1 4.17Å; F437-V477 HydrophobicContact CZ-CG1 4.41Å; F437-V477 HydrophobicContact CZ-CG2 4.21Å; C472-V477 HydrophobicContact CB-CB 3.85Å; C472-V477 HydrophobicContact CB-CG2 4.13Å; C472-V477 PolarHBondContact O-N 2.82Å; L475-V477 VanDerWaalsContact C-N 3.25Å; L475-V477 HydrophobicContact CB-CG2 4.04Å; L475-V477 PolarHBondContact O-N 2.96Å; V477-I481 HydrophobicContact CG1-CB 3.86Å; V477-I481 HydrophobicContact CG1-CG2 3.63Å
478	P	97.9	Very high	97.6	Very high	57 Å²	57	48.5 Å²	48.5	37%	0.37	22%	0.221	S	C	.	.			trans	-51.9	141.9	176.1	-29.2	35.2	0	0	0	113.3	W365 E480 I481 R482	W365-P478 VanDerWaalsContact NE1-CD 3.31Å; P478-E480 VanDerWaalsContact C-N 3.32Å; P478-E480 PolarHBondContact O-N 2.81Å; P478-I481 HydrophobicContact CB-CD1 4.27Å; P478-I481 HydrophobicContact CG-CD1 4.17Å; P478-I481 PolarHBondContact O-N 2.85Å; P478-I481 VanDerWaalsContact O-N 3.14Å; P478-R482 PolarHBondContact O-N 2.69Å
479	N	97.2	Very high	97.6	Very high	99 Å²	99	48.5 Å²	48.5	53%	0.529	22%	0.221	S	C	.	.	H	α-helix	trans	-56	-41.6	-173.2	-72.1	-31.2	0	0	0	113.5	I481 R482 D483	N479-I481 VanDerWaalsContact C-N 3.34Å; N479-I481 PolarHBondContact O-N 2.77Å; N479-R482 PolarHBondContact O-N 3.35Å; N479-R482 VanDerWaalsContact OD1-CZ 3.28Å; N479-R482 PolarHBondContact OD1-NH1 2.96Å; N479-R482 PolarHBondContact OD1-NH2 2.75Å; N479-D483 WeakPolarHBondContact O-CB 3.48Å; N479-D483 PolarHBondContact O-N 3.46Å
480	E	95.9	Very high	97.5	Very high	102 Å²	102	49 Å²	49	48%	0.477	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-40.1	-178.9	-67.4	-62.5	154.2	0	0	112.1	P478 L484 K518	P478-E480 VanDerWaalsContact C-N 3.32Å; P478-E480 PolarHBondContact O-N 2.81Å; E480-L484 PolarHBondContact O-N 3.49Å; E480-L484 VanDerWaalsContact O-N 3.17Å; E480-K518 IonicContact OE1-NZ 3.58Å; E480-K518 PolarHBondContact OE1-NZ 2.95Å; E480-K518 IonicContact OE2-NZ 2.8Å; E480-K518 PolarHBondContact OE2-NZ 2.82Å
481	I	98.1	Very high	97.5	Very high	15 Å²	15	46 Å²	46	8%	0.077	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-47.4	176.9	-64.8	172.2	0	0	0	110.4	W365 V433 D434 F437 V477 P478 N479 D483 L484 A485	W365-I481 HydrophobicContact CH2-CD1 4.31Å; W365-I481 HydrophobicContact CH2-CG2 4.18Å; W365-I481 HydrophobicContact CZ2-CD1 3.69Å; V433-I481 HydrophobicContact CG1-CD1 4.08Å; D434-I481 HydrophobicContact CB-CB 4.49Å; D434-I481 HydrophobicContact CB-CG1 3.93Å; F437-I481 HydrophobicContact CB-CG2 3.9Å; F437-I481 HydrophobicContact CD1-CG2 3.27Å; F437-I481 HydrophobicContact CE1-CG2 3.95Å; F437-I481 HydrophobicContact CG-CG2 3.76Å; V477-I481 HydrophobicContact CG1-CB 3.86Å; V477-I481 HydrophobicContact CG1-CG2 3.63Å; P478-I481 HydrophobicContact CB-CD1 4.27Å; P478-I481 HydrophobicContact CG-CD1 4.17Å; P478-I481 PolarHBondContact O-N 2.85Å; P478-I481 VanDerWaalsContact O-N 3.14Å; N479-I481 VanDerWaalsContact C-N 3.34Å; N479-I481 PolarHBondContact O-N 2.77Å; I481-D483 VanDerWaalsContact C-N 3.33Å; I481-D483 PolarHBondContact O-N 2.75Å; I481-L484 PolarHBondContact O-N 2.76Å; I481-A485 WeakPolarHBondContact O-CB 3.35Å; I481-A485 PolarHBondContact O-N 3.24Å
482	R	98	Very high	97.3	Very high	67 Å²	67	46.1 Å²	46.1	25%	0.253	21%	0.21	S	C	.	.	H	α-helix	trans	-56.8	-48	175.8	176.5	-162.2	69	-145.8	-6.6	111.2	C472 P478 N479 L484 A485 R486	C472-R482 HydrophobicContact CB-CB 3.84Å; C472-R482 HydrophobicContact CB-CG 3.54Å; P478-R482 PolarHBondContact O-N 2.69Å; N479-R482 PolarHBondContact O-N 3.35Å; N479-R482 VanDerWaalsContact OD1-CZ 3.28Å; N479-R482 PolarHBondContact OD1-NH1 2.96Å; N479-R482 PolarHBondContact OD1-NH2 2.75Å; R482-L484 VanDerWaalsContact C-N 3.33Å; R482-L484 PolarHBondContact O-N 3.09Å; R482-A485 PolarHBondContact O-N 3.3Å; R482-R486 HydrophobicContact CG-CG 4.39Å; R482-R486 WeakPolarHBondContact O-CG 3.46Å; R482-R486 PolarHBondContact O-N 3.29Å
483	D	97.6	Very high	97	Very high	32 Å²	32	49.6 Å²	49.6	17%	0.171	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-40.6	-174.3	-71.2	-6.1	0	0	0	111.2	N479 I481 L487	N479-D483 WeakPolarHBondContact O-CB 3.48Å; N479-D483 PolarHBondContact O-N 3.46Å; I481-D483 VanDerWaalsContact C-N 3.33Å; I481-D483 PolarHBondContact O-N 2.75Å; D483-L487 WeakPolarHBondContact O-CG 3.49Å; D483-L487 PolarHBondContact O-N 3.25Å
484	L	98.1	Very high	96.8	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-46.1	172.8	-178.1	63.8	0	0	0	111.6	D434 V435 A438 E480 I481 R482 R486 L487 V488 Q524 L525	D434-L484 HydrophobicContact CB-CD2 3.74Å; V435-L484 HydrophobicContact CG2-CD2 4.49Å; A438-L484 HydrophobicContact CB-CD2 4.11Å; A438-L484 HydrophobicContact CB-CG 3.87Å; E480-L484 PolarHBondContact O-N 3.49Å; E480-L484 VanDerWaalsContact O-N 3.17Å; I481-L484 PolarHBondContact O-N 2.76Å; R482-L484 VanDerWaalsContact C-N 3.33Å; R482-L484 PolarHBondContact O-N 3.09Å; L484-R486 VanDerWaalsContact C-N 3.27Å; L484-R486 PolarHBondContact O-N 3.25Å; L484-L487 PolarHBondContact O-N 3.49Å; L484-L487 VanDerWaalsContact O-N 3.12Å; L484-V488 HydrophobicContact CD1-CG2 4.16Å; L484-V488 HydrophobicContact CG-CG2 4.32Å; L484-V488 WeakPolarHBondContact O-CG2 3.34Å; L484-V488 PolarHBondContact O-N 3.46Å; L484-Q524 HydrophobicContact CD1-CB 3.77Å; L484-Q524 HydrophobicContact CD2-CB 3.94Å; L484-Q524 HydrophobicContact CD2-CG 4.21Å; L484-L525 HydrophobicContact CD1-CD1 3.56Å
485	A	98.3	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-38	179.1	0	0	0	0	0	112.7	F437 A438 C441 V468 I481 R482 A489	F437-A485 HydrophobicContact CD1-CB 3.96Å; F437-A485 HydrophobicContact CE1-CB 4.01Å; A438-A485 HydrophobicContact CB-CB 4.15Å; C441-A485 HydrophobicContact CB-CB 4.21Å; V468-A485 HydrophobicContact CG1-CB 3.6Å; I481-A485 WeakPolarHBondContact O-CB 3.35Å; I481-A485 PolarHBondContact O-N 3.24Å; R482-A485 PolarHBondContact O-N 3.3Å; A485-A489 WeakPolarHBondContact O-CB 3.44Å; A485-A489 PolarHBondContact O-N 3.14Å
486	R	98.2	Very high	96.6	Very high	74 Å²	74	43.3 Å²	43.3	28%	0.279	20%	0.204	S	C	.	.	H	α-helix	trans	-62.8	-47	174.1	-70.7	168.6	71.4	-121.9	-0.2	112	V465 V468 E469 R482 L484 V488 A489 E490	V465-R486 HydrophobicContact CG1-CB 4.26Å; V465-R486 HydrophobicContact CG1-CG 4.24Å; V468-R486 HydrophobicContact CB-CG 4.35Å; V468-R486 HydrophobicContact CG1-CG 3.89Å; E469-R486 HydrophobicContact CG-CG 4.07Å; E469-R486 IonicContact OE1-CZ 2.7Å; E469-R486 IonicContact OE1-NE 2.75Å; E469-R486 PolarHBondContact OE1-NE 3.29Å; E469-R486 IonicContact OE1-NH2 3.47Å; E469-R486 PolarHBondContact OE1-NH2 3.47Å; R482-R486 HydrophobicContact CG-CG 4.39Å; R482-R486 WeakPolarHBondContact O-CG 3.46Å; R482-R486 PolarHBondContact O-N 3.29Å; L484-R486 VanDerWaalsContact C-N 3.27Å; L484-R486 PolarHBondContact O-N 3.25Å; R486-V488 VanDerWaalsContact C-N 3.35Å; R486-V488 PolarHBondContact O-N 3.42Å; R486-A489 PolarHBondContact O-N 3.37Å; R486-E490 WeakPolarHBondContact O-CB 3.48Å; R486-E490 PolarHBondContact O-N 3.2Å
487	L	97.7	Very high	96.5	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-40.5	179.5	-66.5	174.2	0	0	0	111.8	D483 L484 E490 F491 I513 L525	D483-L487 WeakPolarHBondContact O-CG 3.49Å; D483-L487 PolarHBondContact O-N 3.25Å; L484-L487 PolarHBondContact O-N 3.49Å; L484-L487 VanDerWaalsContact O-N 3.12Å; L487-E490 PolarHBondContact O-N 3.22Å; L487-F491 HydrophobicContact CB-CD2 4.47Å; L487-F491 HydrophobicContact CD2-CD2 4.22Å; L487-F491 HydrophobicContact CD2-CE2 3.92Å; L487-F491 WeakPolarHBondContact O-CB 3.43Å; L487-F491 VanDerWaalsContact O-CD2 3.31Å; L487-F491 WeakPolarHBondContact O-CD2 3.23Å; L487-F491 PolarHBondContact O-N 3.23Å; L487-I513 HydrophobicContact CD1-CB 4.11Å; L487-I513 HydrophobicContact CD1-CG2 4.48Å; L487-I513 HydrophobicContact CD2-CB 4.47Å; L487-I513 HydrophobicContact CD2-CG2 4.23Å; L487-L525 HydrophobicContact CB-CD1 4.41Å
488	V	97.8	Very high	96.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-66.9	-46.4	177.9	172.4	0	0	0	0	110.8	A438 H442 L484 R486 E490 F491 H492 L525 T528	A438-V488 HydrophobicContact CB-CB 4.09Å; A438-V488 HydrophobicContact CB-CG1 4.47Å; A438-V488 HydrophobicContact CB-CG2 3.85Å; H442-V488 HydrophobicContact CB-CG1 3.86Å; L484-V488 HydrophobicContact CD1-CG2 4.16Å; L484-V488 HydrophobicContact CG-CG2 4.32Å; L484-V488 WeakPolarHBondContact O-CG2 3.34Å; L484-V488 PolarHBondContact O-N 3.46Å; R486-V488 VanDerWaalsContact C-N 3.35Å; R486-V488 PolarHBondContact O-N 3.42Å; V488-E490 VanDerWaalsContact C-N 3.27Å; V488-E490 PolarHBondContact O-N 3.4Å; V488-F491 PolarHBondContact O-N 3.4Å; V488-H492 HydrophobicContact CG1-CB 4.4Å; V488-H492 VanDerWaalsContact O-CB 3.23Å; V488-H492 WeakPolarHBondContact O-CB 3.48Å; V488-H492 PolarHBondContact O-N 3.48Å; V488-H492 PolarHBondContact O-ND1 3.18Å; V488-L525 HydrophobicContact CG2-CD1 3.78Å; V488-L525 HydrophobicContact CG2-CG 4.33Å; V488-T528 HydrophobicContact CG1-CG2 4.29Å; V488-T528 HydrophobicContact CG2-CG2 3.93Å; V488-T528 WeakPolarHBondContact CG2-OG1 3.43Å
489	A	97	Very high	96.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.9	-41.4	174.6	0	0	0	0	0	112	G461 V468 A485 R486 H492	G461-A489 CarbonylContact C-O 3.55Å; G461-A489 WeakPolarHBondContact CA-O 3.35Å; V468-A489 HydrophobicContact CG2-CB 4.11Å; A485-A489 WeakPolarHBondContact O-CB 3.44Å; A485-A489 PolarHBondContact O-N 3.14Å; R486-A489 PolarHBondContact O-N 3.37Å; A489-H492 PolarHBondContact O-ND1 2.83Å
490	E	96.8	Very high	96	Very high	82 Å²	82	43.1 Å²	43.1	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-72.5	-42.9	-179.3	-167.5	173.4	172.1	0	0	113.7	V465 R486 L487 V488	V465-E490 HydrophobicContact CG2-CB 3.69Å; V465-E490 HydrophobicContact CG2-CG 4.2Å; R486-E490 WeakPolarHBondContact O-CB 3.48Å; R486-E490 PolarHBondContact O-N 3.2Å; L487-E490 PolarHBondContact O-N 3.22Å; V488-E490 VanDerWaalsContact C-N 3.27Å; V488-E490 PolarHBondContact O-N 3.4Å
491	F	96.2	Very high	96	Very high	24 Å²	24	39.7 Å²	39.7	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-112.2	-7.8	-163.7	-63.5	-64.6	0	0	0	115.6	L487 V488 D493 L494 I495 L509 I513	L487-F491 HydrophobicContact CB-CD2 4.47Å; L487-F491 HydrophobicContact CD2-CD2 4.22Å; L487-F491 HydrophobicContact CD2-CE2 3.92Å; L487-F491 WeakPolarHBondContact O-CB 3.43Å; L487-F491 VanDerWaalsContact O-CD2 3.31Å; L487-F491 WeakPolarHBondContact O-CD2 3.23Å; L487-F491 PolarHBondContact O-N 3.23Å; V488-F491 PolarHBondContact O-N 3.4Å; F491-D493 VanDerWaalsContact C-N 3.31Å; F491-D493 PolarHBondContact O-N 3.47Å; F491-L494 HydrophobicContact CD1-CD2 4.01Å; F491-L494 WeakPolarHBondContact O-CA 3.39Å; F491-L494 VanDerWaalsContact O-CB 3.3Å; F491-L494 WeakPolarHBondContact O-CB 3.15Å; F491-L494 PolarHBondContact O-N 3.32Å; F491-I495 WeakPolarHBondContact O-CG1 3.46Å; F491-I495 PolarHBondContact O-N 2.69Å; F491-I495 VanDerWaalsContact O-N 3.12Å; F491-L509 HydrophobicContact CB-CD1 4.11Å; F491-L509 HydrophobicContact CD1-CD1 3.93Å; F491-L509 HydrophobicContact CD2-CD1 4.36Å; F491-L509 HydrophobicContact CE1-CD1 4.49Å; F491-L509 HydrophobicContact CG-CD1 3.87Å; F491-I513 HydrophobicContact CD2-CG2 3.95Å; F491-I513 HydrophobicContact CE2-CG2 4.23Å
492	H	93.6	Very high	95.9	Very high	3 Å²	3	43 Å²	43	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-56.9	-41.7	-174.8	73.8	-80	0	0	0	113.1	H442 D443 H460 V488 A489 L494 I495 H496 D532	H442-H492 AromaticContact CD2-CD2 3.86Å; H442-H492 AromaticContact CD2-NE2 3.81Å; H442-H492 PolarHBondContact O-CE1 2.94Å; H442-H492 VanDerWaalsContact O-CE1 3.27Å; D443-H492 IonicContact OD1-NE2 3.19Å; H460-H492 AromaticContact NE2-CE1 3.5Å; H460-H492 AromaticContact NE2-NE2 3.61Å; V488-H492 HydrophobicContact CG1-CB 4.4Å; V488-H492 VanDerWaalsContact O-CB 3.23Å; V488-H492 WeakPolarHBondContact O-CB 3.48Å; V488-H492 PolarHBondContact O-N 3.48Å; V488-H492 PolarHBondContact O-ND1 3.18Å; A489-H492 PolarHBondContact O-ND1 2.83Å; H492-L494 VanDerWaalsContact C-N 3.32Å; H492-L494 PolarHBondContact O-N 3.07Å; H492-I495 WeakPolarHBondContact O-CB 3.2Å; H492-I495 PolarHBondContact O-N 3.5Å; H492-H496 PolarHBondContact O-CD2 3.43Å; H492-H496 VanDerWaalsContact O-CD2 3.32Å; H492-H496 PolarHBondContact O-N 3.03Å; H492-D532 IonicContact CD2-OD2 3.85Å; H492-D532 PolarHBondContact CD2-OD2 3.09Å
493	D	92.6	Very high	95.7	Very high	76 Å²	76	44.7 Å²	44.7	41%	0.406	24%	0.236	S	C	.	.	H	α-helix	trans	-58.2	-41.2	173.1	-92.2	-15.5	0	0	0	112.8	H460 F491 I495 H496 T497	H460-D493 IonicContact CE1-OD1 3.73Å; H460-D493 IonicContact CE1-OD2 3.18Å; H460-D493 PolarHBondContact CE1-OD2 2.9Å; H460-D493 IonicContact ND1-OD2 3.4Å; H460-D493 IonicContact NE2-OD2 3.78Å; F491-D493 VanDerWaalsContact C-N 3.31Å; F491-D493 PolarHBondContact O-N 3.47Å; D493-I495 VanDerWaalsContact C-N 3.29Å; D493-I495 PolarHBondContact O-N 2.99Å; D493-H496 PolarHBondContact O-N 3.07Å; D493-T497 PolarHBondContact O-N 2.91Å
494	L	94	Very high	95.5	Very high	50 Å²	50	51.5 Å²	51.5	26%	0.262	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-39.3	179.2	-172.6	67.3	0	0	0	110.5	F491 H492 H496 T497 F498 L501 L509	F491-L494 HydrophobicContact CD1-CD2 4.01Å; F491-L494 WeakPolarHBondContact O-CA 3.39Å; F491-L494 VanDerWaalsContact O-CB 3.3Å; F491-L494 WeakPolarHBondContact O-CB 3.15Å; F491-L494 PolarHBondContact O-N 3.32Å; H492-L494 VanDerWaalsContact C-N 3.32Å; H492-L494 PolarHBondContact O-N 3.07Å; L494-H496 VanDerWaalsContact C-N 3.34Å; L494-H496 PolarHBondContact O-N 3.48Å; L494-T497 CarbonylContact O-C 3.42Å; L494-T497 PolarHBondContact O-N 2.82Å; L494-T497 VanDerWaalsContact O-N 3.14Å; L494-T497 PolarHBondContact O-OG1 3.37Å; L494-F498 PolarHBondContact O-N 3.47Å; L494-L501 HydrophobicContact CD1-CD1 4.18Å; L494-L501 HydrophobicContact CD1-CD2 3.56Å; L494-L501 HydrophobicContact CG-CD1 4.03Å; L494-L501 HydrophobicContact CG-CD2 4.33Å; L494-L509 HydrophobicContact CD2-CD1 4.27Å
495	I	94.9	Very high	95.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-37.8	176.8	-52.1	-49.5	0	0	0	111.2	F491 H492 D493 T497 F498 L509 Y544 L550	F491-I495 WeakPolarHBondContact O-CG1 3.46Å; F491-I495 PolarHBondContact O-N 2.69Å; F491-I495 VanDerWaalsContact O-N 3.12Å; H492-I495 WeakPolarHBondContact O-CB 3.2Å; H492-I495 PolarHBondContact O-N 3.5Å; D493-I495 VanDerWaalsContact C-N 3.29Å; D493-I495 PolarHBondContact O-N 2.99Å; I495-T497 PolarHBondContact O-N 3.16Å; I495-F498 VanDerWaalsContact O-CB 3.23Å; I495-F498 WeakPolarHBondContact O-CB 3.36Å; I495-F498 PolarHBondContact O-N 3.13Å; I495-L509 HydrophobicContact CD1-CD1 4.37Å; I495-L509 HydrophobicContact CD1-CD2 3.51Å; I495-Y544 WeakPolarHBondContact CG2-OH 3.45Å; I495-L550 HydrophobicContact CD1-CD1 4.32Å; I495-L550 HydrophobicContact CD1-CD2 4.08Å; I495-L550 HydrophobicContact CG2-CD2 4.24Å
496	H	93.7	Very high	95.3	Very high	44 Å²	44	54.8 Å²	54.8	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-28.1	175.7	-63.6	-43.3	0	0	0	113.2	H492 D493 L494 S529 D532 Y544 Q546	H492-H496 PolarHBondContact O-CD2 3.43Å; H492-H496 VanDerWaalsContact O-CD2 3.32Å; H492-H496 PolarHBondContact O-N 3.03Å; D493-H496 PolarHBondContact O-N 3.07Å; L494-H496 VanDerWaalsContact C-N 3.34Å; L494-H496 PolarHBondContact O-N 3.48Å; H496-S529 PolarHBondContact CE1-O 2.96Å; H496-D532 IonicContact CD2-OD2 2.83Å; H496-D532 IonicContact CE1-OD2 2.84Å; H496-D532 PolarHBondContact CE1-OD2 2.97Å; H496-D532 IonicContact NE2-OD2 3.38Å; H496-D532 PolarHBondContact NE2-OD2 2.96Å; H496-Y544 PolarHBondContact CE1-OH 3.1Å; H496-Y544 AromaticContact ND1-CE2 3.56Å; H496-Y544 AromaticContact ND1-CZ 3.62Å; H496-Y544 PolarHBondContact ND1-OH 3.02Å; H496-Q546 PolarHBondContact O-NE2 2.88Å
497	T	94.4	Very high	95	Very high	59 Å²	59	54.1 Å²	54.1	36%	0.362	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	11	177.1	68.6	0	0	0	0	114.2	D493 L494 I495 P499 M500	D493-T497 PolarHBondContact O-N 2.91Å; L494-T497 CarbonylContact O-C 3.42Å; L494-T497 PolarHBondContact O-N 2.82Å; L494-T497 VanDerWaalsContact O-N 3.14Å; L494-T497 PolarHBondContact O-OG1 3.37Å; I495-T497 PolarHBondContact O-N 3.16Å; T497-P499 VanDerWaalsContact C-N 3.32Å; T497-P499 WeakPolarHBondContact O-CD 3.43Å; T497-M500 WeakPolarHBondContact O-CB 3.44Å; T497-M500 PolarHBondContact O-N 3.27Å
498	F	95.2	Very high	94.9	Very high	13 Å²	13	60.2 Å²	60.2	6%	0.057	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-44.5	-43.6	-172.9	-161.8	-94.4	0	0	0	115.5	L494 I495 M500 L501 I506 Q546 W549 L550 A553	L494-F498 PolarHBondContact O-N 3.47Å; I495-F498 VanDerWaalsContact O-CB 3.23Å; I495-F498 WeakPolarHBondContact O-CB 3.36Å; I495-F498 PolarHBondContact O-N 3.13Å; F498-M500 PolarHBondContact O-N 3.11Å; F498-M500 VanDerWaalsContact O-N 3.13Å; F498-L501 HydrophobicContact CD2-CD1 3.94Å; F498-L501 HydrophobicContact CE2-CD1 4.47Å; F498-L501 HydrophobicContact CG-CD1 4.49Å; F498-L501 WeakPolarHBondContact O-CB 3.49Å; F498-L501 WeakPolarHBondContact O-CG 3.37Å; F498-L501 PolarHBondContact O-N 3.03Å; F498-I506 HydrophobicContact CE1-CD1 4.21Å; F498-I506 HydrophobicContact CE2-CD1 4.44Å; F498-I506 HydrophobicContact CE2-CG1 4.17Å; F498-I506 HydrophobicContact CE2-CG2 4.35Å; F498-I506 HydrophobicContact CZ-CD1 3.88Å; F498-I506 HydrophobicContact CZ-CG1 4.09Å; F498-I506 HydrophobicContact CZ-CG2 4.12Å; F498-Q546 HydrophobicContact CB-CB 4.27Å; F498-Q546 HydrophobicContact CB-CG 4.3Å; F498-W549 HydrophobicContact CD1-CB 3.58Å; F498-W549 HydrophobicContact CE1-CB 3.69Å; F498-W549 WeakPolarHBondContact CE1-O 3.32Å; F498-L550 HydrophobicContact CD2-CB 4.39Å; F498-L550 HydrophobicContact CD2-CD1 4.11Å; F498-L550 HydrophobicContact CE2-CB 4.14Å; F498-L550 HydrophobicContact CE2-CD1 3.48Å; F498-L550 VanDerWaalsContact CE2-CD1 3.48Å; F498-L550 HydrophobicContact CE2-CG 4.43Å; F498-L550 HydrophobicContact CZ-CB 4.4Å; F498-L550 HydrophobicContact CZ-CD1 4.19Å; F498-A553 HydrophobicContact CE1-CB 4.17Å; F498-A553 HydrophobicContact CZ-CB 3.67Å
499	P	92.9	Very high	94.8	Very high	78 Å²	78	60.3 Å²	60.3	51%	0.506	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62	-22.5	179.8	-26.6	38.9	0	0	0	115	T497 W549	T497-P499 VanDerWaalsContact C-N 3.32Å; T497-P499 WeakPolarHBondContact O-CD 3.43Å; P499-W549 HydrophobicContact CB-CZ3 4.29Å; P499-W549 HydrophobicContact CG-CE3 3.55Å; P499-W549 HydrophobicContact CG-CH2 4.01Å; P499-W549 HydrophobicContact CG-CZ3 3.16Å
500	M	95.1	Very high	94.8	Very high	168 Å²	168	60.3 Å²	60.3	83%	0.828	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-90.5	-6	-178.8	-55.3	-177.9	-176	0	0	111.9	T497 F498	T497-M500 WeakPolarHBondContact O-CB 3.44Å; T497-M500 PolarHBondContact O-N 3.27Å; F498-M500 PolarHBondContact O-N 3.11Å; F498-M500 VanDerWaalsContact O-N 3.13Å
501	L	95.4	Very high	94.7	Very high	29 Å²	29	59.8 Å²	59.8	15%	0.152	31%	0.313	C	S	.	.			trans	-80	133.5	-177.6	-54.1	-175.9	0	0	0	110.5	L494 F498 T505 I506	L494-L501 HydrophobicContact CD1-CD1 4.18Å; L494-L501 HydrophobicContact CD1-CD2 3.56Å; L494-L501 HydrophobicContact CG-CD1 4.03Å; L494-L501 HydrophobicContact CG-CD2 4.33Å; F498-L501 HydrophobicContact CD2-CD1 3.94Å; F498-L501 HydrophobicContact CE2-CD1 4.47Å; F498-L501 HydrophobicContact CG-CD1 4.49Å; F498-L501 WeakPolarHBondContact O-CB 3.49Å; F498-L501 WeakPolarHBondContact O-CG 3.37Å; F498-L501 PolarHBondContact O-N 3.03Å; L501-T505 HydrophobicContact CD2-CG2 4.11Å; L501-I506 HydrophobicContact CB-CD1 4.31Å; L501-I506 HydrophobicContact CB-CG1 3.83Å; L501-I506 HydrophobicContact CD1-CG1 4.44Å
502	N	95.8	Very high	94.6	Very high	85 Å²	85	61.3 Å²	61.3	46%	0.455	33%	0.326	S	S	.	.			trans	-76.6	158.7	169.9	67.8	62.2	0	0	0	110.6	K504 T505 I506	N502-K504 VanDerWaalsContact C-N 3.25Å; N502-K504 PolarHBondContact O-N 2.88Å; N502-K504 VanDerWaalsContact O-N 3.16Å; N502-K504 WeakPolarHBondContact OD1-CA 3.45Å; N502-K504 WeakPolarHBondContact OD1-CB 3.35Å; N502-K504 PolarHBondContact OD1-N 2.87Å; N502-K504 VanDerWaalsContact OD1-N 3.1Å; N502-T505 PolarHBondContact ND2-OG1 3.43Å; N502-T505 WeakPolarHBondContact O-CB 3.05Å; N502-T505 PolarHBondContact O-N 2.93Å; N502-T505 PolarHBondContact OD1-N 3.35Å; N502-T505 PolarHBondContact OD1-OG1 2.96Å; N502-I506 PolarHBondContact O-N 3.33Å; N502-I506 VanDerWaalsContact O-N 3.11Å
503	P	93.6	Very high	94.8	Very high	102 Å²	102	61.1 Å²	61.1	66%	0.662	33%	0.326	S	S	*	.	H	α-helix	trans	-54.8	-36.3	-178.6	-29.4	36.1	0	0	0	114.6	T505 I506 V507	P503-T505 PolarHBondContact O-N 3.4Å; P503-I506 PolarHBondContact O-N 3.06Å; P503-V507 WeakPolarHBondContact O-CG2 3.34Å; P503-V507 PolarHBondContact O-N 3.46Å
504	K	94.2	Very high	94.9	Very high	175 Å²	175	59.1 Å²	59.1	76%	0.761	32%	0.315	S	S	*	.	H	α-helix	trans	-65	-39	178.2	-177.3	-179.9	-179.7	178.2	0	111.8	N502 K508	N502-K504 VanDerWaalsContact C-N 3.25Å; N502-K504 PolarHBondContact O-N 2.88Å; N502-K504 VanDerWaalsContact O-N 3.16Å; N502-K504 WeakPolarHBondContact OD1-CA 3.45Å; N502-K504 WeakPolarHBondContact OD1-CB 3.35Å; N502-K504 PolarHBondContact OD1-N 2.87Å; N502-K504 VanDerWaalsContact OD1-N 3.1Å; K504-K508 WeakPolarHBondContact O-CB 3.35Å; K504-K508 PolarHBondContact O-N 3.31Å
505	T	95.3	Very high	94.9	Very high	46 Å²	46	56.7 Å²	56.7	28%	0.282	30%	0.302	S	S	.	.	H	α-helix	trans	-67.8	-39.2	175.2	-58.5	0	0	0	0	111.3	L501 N502 P503 K508 L509	L501-T505 HydrophobicContact CD2-CG2 4.11Å; N502-T505 PolarHBondContact ND2-OG1 3.43Å; N502-T505 WeakPolarHBondContact O-CB 3.05Å; N502-T505 PolarHBondContact O-N 2.93Å; N502-T505 PolarHBondContact OD1-N 3.35Å; N502-T505 PolarHBondContact OD1-OG1 2.96Å; P503-T505 PolarHBondContact O-N 3.4Å; T505-K508 PolarHBondContact O-N 2.88Å; T505-L509 PolarHBondContact O-N 3.46Å
506	I	96.1	Very high	94.8	Very high	26 Å²	26	61.1 Å²	61.1	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-46.7	176.7	-64.7	170.9	0	0	0	110.8	F498 L501 N502 P503 K508 L509 F510 A553	F498-I506 HydrophobicContact CE1-CD1 4.21Å; F498-I506 HydrophobicContact CE2-CD1 4.44Å; F498-I506 HydrophobicContact CE2-CG1 4.17Å; F498-I506 HydrophobicContact CE2-CG2 4.35Å; F498-I506 HydrophobicContact CZ-CD1 3.88Å; F498-I506 HydrophobicContact CZ-CG1 4.09Å; F498-I506 HydrophobicContact CZ-CG2 4.12Å; L501-I506 HydrophobicContact CB-CD1 4.31Å; L501-I506 HydrophobicContact CB-CG1 3.83Å; L501-I506 HydrophobicContact CD1-CG1 4.44Å; N502-I506 PolarHBondContact O-N 3.33Å; N502-I506 VanDerWaalsContact O-N 3.11Å; P503-I506 PolarHBondContact O-N 3.06Å; I506-K508 VanDerWaalsContact C-N 3.34Å; I506-K508 PolarHBondContact O-N 3.19Å; I506-L509 WeakPolarHBondContact O-CB 3.18Å; I506-L509 PolarHBondContact O-N 2.79Å; I506-F510 HydrophobicContact CG2-CD2 4.12Å; I506-F510 HydrophobicContact CG2-CE2 3.47Å; I506-F510 VanDerWaalsContact CG2-CE2 3.47Å; I506-F510 HydrophobicContact CG2-CZ 3.78Å; I506-F510 WeakPolarHBondContact O-CD2 3.35Å; I506-F510 PolarHBondContact O-N 3.47Å; I506-F510 VanDerWaalsContact O-N 3.08Å; I506-A553 HydrophobicContact CG2-CB 4.16Å
507	V	93.7	Very high	94.7	Very high	59 Å²	59	67.7 Å²	67.7	36%	0.358	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-42.2	175.8	174.8	0	0	0	0	111.3	P503 L509 F510 D511	P503-V507 WeakPolarHBondContact O-CG2 3.34Å; P503-V507 PolarHBondContact O-N 3.46Å; V507-L509 VanDerWaalsContact C-N 3.28Å; V507-L509 PolarHBondContact O-N 2.7Å; V507-F510 PolarHBondContact O-N 3.48Å; V507-F510 VanDerWaalsContact O-N 3.12Å; V507-D511 PolarHBondContact O-N 3.37Å
508	K	94.9	Very high	94.8	Very high	144 Å²	144	66.2 Å²	66.2	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-61	-37	176.1	-173.4	-178	177.4	-171.4	0	112.3	K504 T505 I506 D511 S512	K504-K508 WeakPolarHBondContact O-CB 3.35Å; K504-K508 PolarHBondContact O-N 3.31Å; T505-K508 PolarHBondContact O-N 2.88Å; I506-K508 VanDerWaalsContact C-N 3.34Å; I506-K508 PolarHBondContact O-N 3.19Å; K508-D511 PolarHBondContact O-N 2.7Å; K508-S512 WeakPolarHBondContact O-CB 3.47Å; K508-S512 PolarHBondContact O-N 2.96Å; K508-S512 PolarHBondContact O-OG 3.38Å
509	L	96.4	Very high	94.8	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.016	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-49.4	172.8	169.1	65.9	0	0	0	110.3	F491 L494 I495 T505 I506 V507 D511 S512 I513 L550	F491-L509 HydrophobicContact CB-CD1 4.11Å; F491-L509 HydrophobicContact CD1-CD1 3.93Å; F491-L509 HydrophobicContact CD2-CD1 4.36Å; F491-L509 HydrophobicContact CE1-CD1 4.49Å; F491-L509 HydrophobicContact CG-CD1 3.87Å; L494-L509 HydrophobicContact CD2-CD1 4.27Å; I495-L509 HydrophobicContact CD1-CD1 4.37Å; I495-L509 HydrophobicContact CD1-CD2 3.51Å; T505-L509 PolarHBondContact O-N 3.46Å; I506-L509 WeakPolarHBondContact O-CB 3.18Å; I506-L509 PolarHBondContact O-N 2.79Å; V507-L509 VanDerWaalsContact C-N 3.28Å; V507-L509 PolarHBondContact O-N 2.7Å; L509-D511 VanDerWaalsContact C-N 3.29Å; L509-D511 PolarHBondContact O-N 2.9Å; L509-S512 PolarHBondContact O-N 3.28Å; L509-I513 HydrophobicContact CD1-CG2 3.79Å; L509-I513 WeakPolarHBondContact O-CG1 3.14Å; L509-I513 WeakPolarHBondContact O-CG2 3.19Å; L509-I513 PolarHBondContact O-N 2.93Å; L509-L550 HydrophobicContact CD2-CD1 4.01Å
510	F	96.3	Very high	94.9	Very high	1 Å²	1	69.1 Å²	69.1	0%	0.004	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-37.6	177.8	-64.1	-35.7	0	0	0	113.3	I506 V507 I513 D514 A515 W516 V522 L550 A553 W554 A557	I506-F510 HydrophobicContact CG2-CD2 4.12Å; I506-F510 HydrophobicContact CG2-CE2 3.47Å; I506-F510 VanDerWaalsContact CG2-CE2 3.47Å; I506-F510 HydrophobicContact CG2-CZ 3.78Å; I506-F510 WeakPolarHBondContact O-CD2 3.35Å; I506-F510 PolarHBondContact O-N 3.47Å; I506-F510 VanDerWaalsContact O-N 3.08Å; V507-F510 PolarHBondContact O-N 3.48Å; V507-F510 VanDerWaalsContact O-N 3.12Å; F510-I513 HydrophobicContact CD1-CD1 4.26Å; F510-D514 PolarHBondContact O-N 3.12Å; F510-A515 HydrophobicContact CB-CB 4.17Å; F510-A515 HydrophobicContact CD1-CB 4.36Å; F510-A515 PolarHBondContact O-N 3.04Å; F510-W516 HydrophobicContact CB-CZ2 4.38Å; F510-V522 HydrophobicContact CD1-CG2 4.35Å; F510-V522 HydrophobicContact CE1-CG2 4.32Å; F510-L550 HydrophobicContact CE1-CD1 3.75Å; F510-L550 HydrophobicContact CZ-CD1 4.29Å; F510-A553 HydrophobicContact CE2-CB 4.42Å; F510-A553 HydrophobicContact CZ-CB 4.06Å; F510-W554 HydrophobicContact CB-CE3 4.29Å; F510-W554 HydrophobicContact CB-CZ3 4.03Å; F510-W554 AromaticContact CD1-CE3 3.84Å; F510-W554 HydrophobicContact CD1-CE3 3.84Å; F510-W554 HydrophobicContact CD1-CZ3 4.39Å; F510-W554 AromaticContact CD2-CE3 3.79Å; F510-W554 HydrophobicContact CD2-CE3 3.79Å; F510-W554 HydrophobicContact CD2-CZ3 4.18Å; F510-W554 HydrophobicContact CE1-CB 4.03Å; F510-W554 HydrophobicContact CE1-CE3 4.04Å; F510-W554 HydrophobicContact CE2-CB 4.48Å; F510-W554 AromaticContact CE2-CE3 3.98Å; F510-W554 HydrophobicContact CE2-CE3 3.98Å; F510-W554 AromaticContact CG-CE3 3.72Å; F510-W554 HydrophobicContact CG-CE3 3.72Å; F510-W554 AromaticContact CG-CZ3 3.97Å; F510-W554 HydrophobicContact CG-CZ3 3.97Å; F510-W554 HydrophobicContact CZ-CB 3.81Å; F510-W554 HydrophobicContact CZ-CE3 4.11Å; F510-A557 HydrophobicContact CD2-CB 4.17Å; F510-A557 HydrophobicContact CE2-CB 3.97Å
511	D	94.3	Very high	95	Very high	71 Å²	71	62.1 Å²	62.1	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-64.3	-45.5	171.9	-71.8	-23.8	0	0	0	112.1	V507 K508 L509 I513 D514 W516	V507-D511 PolarHBondContact O-N 3.37Å; K508-D511 PolarHBondContact O-N 2.7Å; L509-D511 VanDerWaalsContact C-N 3.29Å; L509-D511 PolarHBondContact O-N 2.9Å; D511-I513 VanDerWaalsContact C-N 3.35Å; D511-I513 PolarHBondContact O-N 2.92Å; D511-D514 PolarHBondContact O-N 3.14Å; D511-D514 VanDerWaalsContact O-N 3.08Å; D511-W516 PolarHBondContact OD1-NE1 2.94Å
512	S	95.3	Very high	95.1	Very high	55 Å²	55	60.9 Å²	60.9	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-67	-36.9	-175.4	-55.9	0	0	0	0	112.1	K508 L509 D514	K508-S512 WeakPolarHBondContact O-CB 3.47Å; K508-S512 PolarHBondContact O-N 2.96Å; K508-S512 PolarHBondContact O-OG 3.38Å; L509-S512 PolarHBondContact O-N 3.28Å; S512-D514 PolarHBondContact O-N 2.95Å
513	I	95.9	Very high	95.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.6	176.1	73.5	178.5	0	0	0	112.3	L487 F491 L509 F510 D511 A515 R521 V522 L525	L487-I513 HydrophobicContact CD1-CB 4.11Å; L487-I513 HydrophobicContact CD1-CG2 4.48Å; L487-I513 HydrophobicContact CD2-CB 4.47Å; L487-I513 HydrophobicContact CD2-CG2 4.23Å; F491-I513 HydrophobicContact CD2-CG2 3.95Å; F491-I513 HydrophobicContact CE2-CG2 4.23Å; L509-I513 HydrophobicContact CD1-CG2 3.79Å; L509-I513 WeakPolarHBondContact O-CG1 3.14Å; L509-I513 WeakPolarHBondContact O-CG2 3.19Å; L509-I513 PolarHBondContact O-N 2.93Å; F510-I513 HydrophobicContact CD1-CD1 4.26Å; D511-I513 VanDerWaalsContact C-N 3.35Å; D511-I513 PolarHBondContact O-N 2.92Å; I513-A515 VanDerWaalsContact C-N 3.26Å; I513-A515 HydrophobicContact CD1-CB 4.01Å; I513-A515 HydrophobicContact CG1-CB 3.83Å; I513-A515 PolarHBondContact O-N 2.81Å; I513-R521 WeakPolarHBondContact O-CD 3.48Å; I513-R521 PolarHBondContact O-NH1 3.43Å; I513-V522 HydrophobicContact CD1-CG2 4.04Å; I513-L525 HydrophobicContact CB-CD2 4.28Å; I513-L525 HydrophobicContact CD1-CD2 3.95Å; I513-L525 HydrophobicContact CG2-CD2 3.6Å
514	D	94.8	Very high	95.4	Very high	33 Å²	33	56.3 Å²	56.3	18%	0.176	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	38.7	-176.4	-169.8	35.1	0	0	0	113	F510 D511 S512 W516 R517 K518	F510-D514 PolarHBondContact O-N 3.12Å; D511-D514 PolarHBondContact O-N 3.14Å; D511-D514 VanDerWaalsContact O-N 3.08Å; S512-D514 PolarHBondContact O-N 2.95Å; D514-W516 PolarHBondContact O-N 3.05Å; D514-R517 PolarHBondContact O-N 3.36Å; D514-R517 WeakPolarHBondContact OD1-CB 3.37Å; D514-R517 IonicContact OD1-NE 3.37Å; D514-R517 IonicContact OD2-CZ 3.21Å; D514-R517 IonicContact OD2-NE 3.67Å; D514-R517 PolarHBondContact OD2-NE 3.17Å; D514-R517 IonicContact OD2-NH2 2.75Å; D514-R517 PolarHBondContact OD2-NH2 2.71Å; D514-K518 PolarHBondContact O-N 3.22Å
515	A	95.2	Very high	95.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.4	-177.5	0	0	0	0	0	112.2	F510 I513 R517 K518 P519 V522 W554	F510-A515 HydrophobicContact CB-CB 4.17Å; F510-A515 HydrophobicContact CD1-CB 4.36Å; F510-A515 PolarHBondContact O-N 3.04Å; I513-A515 VanDerWaalsContact C-N 3.26Å; I513-A515 HydrophobicContact CD1-CB 4.01Å; I513-A515 HydrophobicContact CG1-CB 3.83Å; I513-A515 PolarHBondContact O-N 2.81Å; A515-R517 VanDerWaalsContact C-N 3.25Å; A515-R517 PolarHBondContact O-N 3.12Å; A515-K518 CarbonylContact O-C 3.59Å; A515-K518 VanDerWaalsContact O-C 3.25Å; A515-K518 PolarHBondContact O-N 2.95Å; A515-P519 WeakPolarHBondContact O-CA 3.42Å; A515-V522 HydrophobicContact CB-CG2 3.73Å; A515-W554 VanDerWaalsContact C-CH2 3.45Å; A515-W554 HydrophobicContact CB-CD2 4.41Å; A515-W554 HydrophobicContact CB-CE3 4.07Å; A515-W554 HydrophobicContact CB-CH2 3.53Å; A515-W554 HydrophobicContact CB-CZ2 3.87Å; A515-W554 HydrophobicContact CB-CZ3 3.63Å; A515-W554 WeakPolarHBondContact O-CZ2 3.16Å
516	W	92.5	Very high	95.7	Very high	93 Å²	93	45.9 Å²	45.9	35%	0.352	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.8	-179.8	-51.8	107.1	0	0	0	114.2	F510 D511 D514 W554 A557	F510-W516 HydrophobicContact CB-CZ2 4.38Å; D511-W516 PolarHBondContact OD1-NE1 2.94Å; D514-W516 PolarHBondContact O-N 3.05Å; W516-W554 AromaticContact CD2-CH2 3.7Å; W516-W554 HydrophobicContact CD2-CH2 3.7Å; W516-W554 AromaticContact CD2-CZ3 3.84Å; W516-W554 HydrophobicContact CD2-CZ3 3.84Å; W516-W554 AromaticContact CE3-CH2 3.39Å; W516-W554 HydrophobicContact CE3-CH2 3.39Å; W516-W554 AromaticContact CE3-CZ3 3.66Å; W516-W554 HydrophobicContact CE3-CZ3 3.66Å; W516-W554 HydrophobicContact CG-CH2 4.22Å; W516-W554 HydrophobicContact CH2-CH2 4.48Å; W516-W554 AromaticContact CH2-CZ3 3.91Å; W516-W554 HydrophobicContact CH2-CZ3 3.91Å; W516-W554 HydrophobicContact CZ2-CZ3 4.07Å; W516-W554 AromaticContact CZ3-CH2 3.82Å; W516-W554 HydrophobicContact CZ3-CH2 3.82Å; W516-W554 AromaticContact CZ3-CZ3 3.69Å; W516-W554 HydrophobicContact CZ3-CZ3 3.69Å; W516-A557 HydrophobicContact CH2-CB 3.96Å
517	R	92.2	Very high	95.8	Very high	181 Å²	181	45.6 Å²	45.6	68%	0.683	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-31.2	176.1	-175.6	173.9	58.8	149.1	-1.1	111.9	D514 A515	D514-R517 PolarHBondContact O-N 3.36Å; D514-R517 WeakPolarHBondContact OD1-CB 3.37Å; D514-R517 IonicContact OD1-NE 3.37Å; D514-R517 IonicContact OD2-CZ 3.21Å; D514-R517 IonicContact OD2-NE 3.67Å; D514-R517 PolarHBondContact OD2-NE 3.17Å; D514-R517 IonicContact OD2-NH2 2.75Å; D514-R517 PolarHBondContact OD2-NH2 2.71Å; A515-R517 VanDerWaalsContact C-N 3.25Å; A515-R517 PolarHBondContact O-N 3.12Å
518	K	95	Very high	96	Very high	28 Å²	28	43 Å²	43	12%	0.122	20%	0.201	C	C	.	.			trans	-125.7	70.1	-177.8	-66.5	-175.7	171.8	-167.7	0	110.1	E480 D514 A515 Q520 R521	E480-K518 IonicContact OE1-NZ 3.58Å; E480-K518 PolarHBondContact OE1-NZ 2.95Å; E480-K518 IonicContact OE2-NZ 2.8Å; E480-K518 PolarHBondContact OE2-NZ 2.82Å; D514-K518 PolarHBondContact O-N 3.22Å; A515-K518 CarbonylContact O-C 3.59Å; A515-K518 VanDerWaalsContact O-C 3.25Å; A515-K518 PolarHBondContact O-N 2.95Å; K518-Q520 PolarHBondContact O-N 3.36Å; K518-Q520 VanDerWaalsContact O-N 3.13Å; K518-R521 HydrophobicContact CB-CG 4.1Å; K518-R521 WeakPolarHBondContact O-CB 3.34Å; K518-R521 PolarHBondContact O-N 2.88Å
519	P	95.6	Very high	96.1	Very high	58 Å²	58	36.1 Å²	36.1	38%	0.377	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.2	-173	23.6	-34.8	0	0	0	113.4	A515 R521 V522 W554	A515-P519 WeakPolarHBondContact O-CA 3.42Å; P519-R521 PolarHBondContact O-N 3.18Å; P519-R521 VanDerWaalsContact O-N 3.11Å; P519-V522 PolarHBondContact O-N 3.16Å; P519-V522 VanDerWaalsContact O-N 3.16Å; P519-W554 HydrophobicContact CB-CZ2 4.01Å
520	Q	96.2	Very high	96.1	Very high	95 Å²	95	37.2 Å²	37.2	44%	0.444	18%	0.176	S	C	.	.	H	α-helix	trans	-57.8	-23.6	175.6	69.7	-82	15.6	0	0	113.5	K518 V522 E523 Q524	K518-Q520 PolarHBondContact O-N 3.36Å; K518-Q520 VanDerWaalsContact O-N 3.13Å; Q520-V522 PolarHBondContact O-N 2.95Å; Q520-E523 WeakPolarHBondContact O-CB 3.43Å; Q520-E523 PolarHBondContact O-N 3.32Å; Q520-E523 VanDerWaalsContact O-N 3.16Å; Q520-Q524 WeakPolarHBondContact O-CG 3.39Å; Q520-Q524 PolarHBondContact O-N 3.23Å
521	R	97	Very high	96.2	Very high	21 Å²	21	37.1 Å²	37.1	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-28.6	178.6	-73.4	179.9	169.2	-179.3	-5.3	113	I513 K518 P519 Q524 L525	I513-R521 WeakPolarHBondContact O-CD 3.48Å; I513-R521 PolarHBondContact O-NH1 3.43Å; K518-R521 HydrophobicContact CB-CG 4.1Å; K518-R521 WeakPolarHBondContact O-CB 3.34Å; K518-R521 PolarHBondContact O-N 2.88Å; P519-R521 PolarHBondContact O-N 3.18Å; P519-R521 VanDerWaalsContact O-N 3.11Å; R521-Q524 PolarHBondContact O-N 3.28Å; R521-L525 WeakPolarHBondContact O-CB 3.46Å; R521-L525 WeakPolarHBondContact O-CD1 3.43Å; R521-L525 PolarHBondContact O-N 2.98Å
522	V	97.6	Very high	96.3	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-46.4	175.5	179.9	0	0	0	0	110.1	F510 I513 A515 P519 Q520 A526 L550 W554	F510-V522 HydrophobicContact CD1-CG2 4.35Å; F510-V522 HydrophobicContact CE1-CG2 4.32Å; I513-V522 HydrophobicContact CD1-CG2 4.04Å; A515-V522 HydrophobicContact CB-CG2 3.73Å; P519-V522 PolarHBondContact O-N 3.16Å; P519-V522 VanDerWaalsContact O-N 3.16Å; Q520-V522 PolarHBondContact O-N 2.95Å; V522-A526 WeakPolarHBondContact O-CB 3.38Å; V522-A526 PolarHBondContact O-N 3.05Å; V522-L550 HydrophobicContact CG1-CD2 4.33Å; V522-L550 HydrophobicContact CG1-CG 3.93Å; V522-W554 HydrophobicContact CB-CG 4.2Å; V522-W554 HydrophobicContact CG1-CB 3.79Å; V522-W554 HydrophobicContact CG1-CG 3.96Å; V522-W554 HydrophobicContact CG2-CB 4.28Å; V522-W554 HydrophobicContact CG2-CD2 3.79Å; V522-W554 HydrophobicContact CG2-CE3 4.36Å; V522-W554 HydrophobicContact CG2-CG 3.71Å
523	E	97.5	Very high	96.2	Very high	77 Å²	77	32.3 Å²	32.3	36%	0.36	15%	0.147	S	C	.	.	H	α-helix	trans	-63	-45.9	176.1	-177.6	57.6	-147.4	0	0	111.1	Q520 L525 A526 L527 R551	Q520-E523 WeakPolarHBondContact O-CB 3.43Å; Q520-E523 PolarHBondContact O-N 3.32Å; Q520-E523 VanDerWaalsContact O-N 3.16Å; E523-L525 PolarHBondContact O-N 3.49Å; E523-A526 PolarHBondContact O-N 3.13Å; E523-L527 HydrophobicContact CG-CD1 3.97Å; E523-L527 HydrophobicContact CG-CG 4.45Å; E523-L527 WeakPolarHBondContact O-CG 3.49Å; E523-L527 PolarHBondContact O-N 3.38Å; E523-L527 WeakPolarHBondContact OE1-CG 3.22Å; E523-R551 IonicContact OE1-CZ 3.24Å; E523-R551 IonicContact OE1-NE 3.69Å; E523-R551 PolarHBondContact OE1-NE 2.88Å; E523-R551 IonicContact OE1-NH2 3.3Å; E523-R551 PolarHBondContact OE1-NH2 2.78Å; E523-R551 IonicContact OE2-CZ 3.49Å; E523-R551 IonicContact OE2-NE 3.09Å; E523-R551 PolarHBondContact OE2-NE 3.49Å; E523-R551 IonicContact OE2-NH2 2.76Å; E523-R551 PolarHBondContact OE2-NH2 3.4Å
524	Q	97.9	Very high	96.2	Very high	14 Å²	14	34.6 Å²	34.6	7%	0.065	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-45	-179.2	-67.8	175.2	-38.7	0	0	111.9	D434 V435 L484 Q520 R521 L527 T528	D434-Q524 PolarHBondContact OD2-NE2 2.85Å; V435-Q524 HydrophobicContact CG2-CB 4.12Å; V435-Q524 HydrophobicContact CG2-CG 3.86Å; L484-Q524 HydrophobicContact CD1-CB 3.77Å; L484-Q524 HydrophobicContact CD2-CB 3.94Å; L484-Q524 HydrophobicContact CD2-CG 4.21Å; Q520-Q524 WeakPolarHBondContact O-CG 3.39Å; Q520-Q524 PolarHBondContact O-N 3.23Å; R521-Q524 PolarHBondContact O-N 3.28Å; Q524-L527 PolarHBondContact O-N 2.98Å; Q524-T528 WeakPolarHBondContact O-CG2 2.92Å; Q524-T528 PolarHBondContact O-N 2.9Å; Q524-T528 PolarHBondContact O-OG1 3.35Å
525	L	97.6	Very high	96.2	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-42.1	175.9	-93.7	54.1	0	0	0	111.8	L484 L487 V488 I513 R521 E523 L527 T528 S529 L550	L484-L525 HydrophobicContact CD1-CD1 3.56Å; L487-L525 HydrophobicContact CB-CD1 4.41Å; V488-L525 HydrophobicContact CG2-CD1 3.78Å; V488-L525 HydrophobicContact CG2-CG 4.33Å; I513-L525 HydrophobicContact CB-CD2 4.28Å; I513-L525 HydrophobicContact CD1-CD2 3.95Å; I513-L525 HydrophobicContact CG2-CD2 3.6Å; R521-L525 WeakPolarHBondContact O-CB 3.46Å; R521-L525 WeakPolarHBondContact O-CD1 3.43Å; R521-L525 PolarHBondContact O-N 2.98Å; E523-L525 PolarHBondContact O-N 3.49Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 3.45Å; L525-T528 WeakPolarHBondContact CA-OG1 3.43Å; L525-T528 PolarHBondContact O-N 3.21Å; L525-T528 PolarHBondContact O-OG1 2.95Å; L525-S529 WeakPolarHBondContact O-CB 3.17Å; L525-S529 PolarHBondContact O-N 3.33Å; L525-S529 PolarHBondContact O-OG 3.43Å; L525-S529 VanDerWaalsContact O-OG 3.09Å; L525-L550 HydrophobicContact CB-CD2 4.37Å
526	A	97.4	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-45.1	175.8	0	0	0	0	0	111.5	V522 E523 E530 L550 R551	V522-A526 WeakPolarHBondContact O-CB 3.38Å; V522-A526 PolarHBondContact O-N 3.05Å; E523-A526 PolarHBondContact O-N 3.13Å; A526-E530 VanDerWaalsContact O-CB 3.28Å; A526-E530 WeakPolarHBondContact O-CB 3.41Å; A526-E530 PolarHBondContact O-N 2.99Å; A526-L550 HydrophobicContact CB-CD2 4.21Å; A526-R551 VanDerWaalsContact CB-CZ 3.47Å
527	L	97.6	Very high	96	Very high	20 Å²	20	33 Å²	33	11%	0.105	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-43.3	177.9	-69.8	169.5	0	0	0	112.4	L429 V435 E523 Q524 L525 E530 A531	L429-L527 HydrophobicContact CB-CD2 4.31Å; V435-L527 HydrophobicContact CG1-CB 4.15Å; E523-L527 HydrophobicContact CG-CD1 3.97Å; E523-L527 HydrophobicContact CG-CG 4.45Å; E523-L527 WeakPolarHBondContact O-CG 3.49Å; E523-L527 PolarHBondContact O-N 3.38Å; E523-L527 WeakPolarHBondContact OE1-CG 3.22Å; Q524-L527 PolarHBondContact O-N 2.98Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 3.45Å; L527-E530 PolarHBondContact O-N 3.21Å; L527-A531 WeakPolarHBondContact O-CB 3.19Å; L527-A531 PolarHBondContact O-N 3.08Å
528	T	97.9	Very high	96	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-39.2	178.5	53.2	0	0	0	0	112.1	V435 A438 T439 V488 Q524 L525 A531 D532	V435-T528 HydrophobicContact CG1-CG2 3.83Å; A438-T528 HydrophobicContact CB-CG2 4.2Å; T439-T528 WeakPolarHBondContact OG1-CG2 3.49Å; V488-T528 HydrophobicContact CG1-CG2 4.29Å; V488-T528 HydrophobicContact CG2-CG2 3.93Å; V488-T528 WeakPolarHBondContact CG2-OG1 3.43Å; Q524-T528 WeakPolarHBondContact O-CG2 2.92Å; Q524-T528 PolarHBondContact O-N 2.9Å; Q524-T528 PolarHBondContact O-OG1 3.35Å; L525-T528 WeakPolarHBondContact CA-OG1 3.43Å; L525-T528 PolarHBondContact O-N 3.21Å; L525-T528 PolarHBondContact O-OG1 2.95Å; T528-A531 WeakPolarHBondContact O-CB 3.41Å; T528-A531 PolarHBondContact O-N 3.02Å; T528-D532 PolarHBondContact O-N 2.89Å
529	S	96.9	Very high	95.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-74.6	-31.7	178.1	-57.9	0	0	0	0	112.4	H496 L525 D532 V533 Y544	H496-S529 PolarHBondContact CE1-O 2.96Å; L525-S529 WeakPolarHBondContact O-CB 3.17Å; L525-S529 PolarHBondContact O-N 3.33Å; L525-S529 PolarHBondContact O-OG 3.43Å; L525-S529 VanDerWaalsContact O-OG 3.09Å; S529-D532 PolarHBondContact O-N 3.13Å; S529-V533 PolarHBondContact O-N 3.36Å; S529-V533 VanDerWaalsContact O-N 3.09Å; S529-Y544 WeakPolarHBondContact CB-OH 3.26Å
530	E	97.3	Very high	95.7	Very high	25 Å²	25	31 Å²	31	12%	0.117	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-41.1	169.6	-174.9	170.5	170.5	0	0	111.3	L429 A526 L527 D532 V533 R534 Y544	L429-E530 HydrophobicContact CD1-CB 4.15Å; L429-E530 HydrophobicContact CD1-CG 3.94Å; A526-E530 VanDerWaalsContact O-CB 3.28Å; A526-E530 WeakPolarHBondContact O-CB 3.41Å; A526-E530 PolarHBondContact O-N 2.99Å; L527-E530 PolarHBondContact O-N 3.21Å; E530-D532 VanDerWaalsContact C-N 3.31Å; E530-D532 PolarHBondContact O-N 2.97Å; E530-V533 PolarHBondContact O-N 3.14Å; E530-R534 WeakPolarHBondContact O-CB 3.5Å; E530-R534 PolarHBondContact O-N 3.28Å; E530-R534 IonicContact OE1-CZ 3.61Å; E530-R534 IonicContact OE1-NE 3.48Å; E530-R534 IonicContact OE1-NH1 3.76Å; E530-R534 PolarHBondContact OE1-NH1 2.93Å; E530-R534 IonicContact OE1-NH2 2.69Å; E530-R534 PolarHBondContact OE1-NH2 3.35Å; E530-Y544 HydrophobicContact CB-CD1 3.63Å; E530-Y544 HydrophobicContact CB-CE1 4.22Å; E530-Y544 HydrophobicContact CB-CG 4.24Å; E530-Y544 HydrophobicContact CG-CD1 4.12Å; E530-Y544 HydrophobicContact CG-CG 4.34Å
531	A	97.6	Very high	95.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-38	174.6	0	0	0	0	0	112.4	M425 A426 L429 T439 L527 T528 G535	M425-A531 HydrophobicContact CB-CB 4.36Å; M425-A531 HydrophobicContact CG-CB 4.22Å; A426-A531 HydrophobicContact CB-CB 3.83Å; L429-A531 HydrophobicContact CD1-CB 3.99Å; T439-A531 HydrophobicContact CG2-CB 4.12Å; L527-A531 WeakPolarHBondContact O-CB 3.19Å; L527-A531 PolarHBondContact O-N 3.08Å; T528-A531 WeakPolarHBondContact O-CB 3.41Å; T528-A531 PolarHBondContact O-N 3.02Å; A531-G535 VanDerWaalsContact O-CA 3.3Å; A531-G535 WeakPolarHBondContact O-CA 3.43Å; A531-G535 PolarHBondContact O-N 3.11Å
532	D	96.7	Very high	95.2	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-47.9	175.1	-177.1	20.7	0	0	0	111.8	H418 H442 H492 H496 T528 S529 E530 R534 G535	H418-D532 IonicContact CE1-OD1 3.8Å; H418-D532 PolarHBondContact CE1-OD1 2.94Å; H418-D532 IonicContact NE2-OD1 3.75Å; H418-D532 PolarHBondContact NE2-OD1 2.81Å; H442-D532 IonicContact CD2-OD1 3.99Å; H442-D532 IonicContact CD2-OD2 3.69Å; H442-D532 IonicContact NE2-OD1 2.73Å; H442-D532 PolarHBondContact NE2-OD1 3.49Å; H492-D532 IonicContact CD2-OD2 3.85Å; H492-D532 PolarHBondContact CD2-OD2 3.09Å; H496-D532 IonicContact CD2-OD2 2.83Å; H496-D532 IonicContact CE1-OD2 2.84Å; H496-D532 PolarHBondContact CE1-OD2 2.97Å; H496-D532 IonicContact NE2-OD2 3.38Å; H496-D532 PolarHBondContact NE2-OD2 2.96Å; T528-D532 PolarHBondContact O-N 2.89Å; S529-D532 PolarHBondContact O-N 3.13Å; E530-D532 VanDerWaalsContact C-N 3.31Å; E530-D532 PolarHBondContact O-N 2.97Å; D532-R534 PolarHBondContact O-N 2.99Å; D532-G535 PolarHBondContact O-N 3.36Å
533	V	94.8	Very high	95	Very high	17 Å²	17	36.9 Å²	36.9	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-41.9	178.3	157.6	0	0	0	0	113.2	S529 E530 R536 F539 A542 Y544	S529-V533 PolarHBondContact O-N 3.36Å; S529-V533 VanDerWaalsContact O-N 3.09Å; E530-V533 PolarHBondContact O-N 3.14Å; V533-R536 PolarHBondContact O-NE 2.78Å; V533-R536 PolarHBondContact O-NH2 3.11Å; V533-F539 WeakPolarHBondContact O-CB 3.3Å; V533-A542 HydrophobicContact CG1-CB 4.27Å; V533-Y544 HydrophobicContact CB-CD2 3.77Å; V533-Y544 HydrophobicContact CB-CE2 4.04Å; V533-Y544 HydrophobicContact CB-CG 4.49Å; V533-Y544 HydrophobicContact CG1-CD2 3.86Å; V533-Y544 HydrophobicContact CG2-CD2 3.59Å; V533-Y544 HydrophobicContact CG2-CE2 3.4Å; V533-Y544 VanDerWaalsContact CG2-CE2 3.4Å
534	R	95.6	Very high	94.9	Very high	48 Å²	48	33.3 Å²	33.3	18%	0.181	20%	0.196	C	C	.	.	H	α-helix	trans	-85	-18.1	-177.8	-70.6	-173.1	178.1	153.3	17.8	113.3	M425 E530 D532 R536 F539 E540 A542	M425-R534 HydrophobicContact CE-CB 3.81Å; M425-R534 HydrophobicContact CG-CB 3.73Å; M425-R534 HydrophobicContact SD-CB 3.86Å; E530-R534 WeakPolarHBondContact O-CB 3.5Å; E530-R534 PolarHBondContact O-N 3.28Å; E530-R534 IonicContact OE1-CZ 3.61Å; E530-R534 IonicContact OE1-NE 3.48Å; E530-R534 IonicContact OE1-NH1 3.76Å; E530-R534 PolarHBondContact OE1-NH1 2.93Å; E530-R534 IonicContact OE1-NH2 2.69Å; E530-R534 PolarHBondContact OE1-NH2 3.35Å; D532-R534 PolarHBondContact O-N 2.99Å; R534-R536 PolarHBondContact O-N 2.89Å; R534-F539 WeakPolarHBondContact CA-O 3.46Å; R534-E540 WeakPolarHBondContact CD-O 3.47Å; R534-E540 WeakPolarHBondContact O-CA 3.42Å; R534-A542 PolarHBondContact NE-O 3.17Å; R534-A542 PolarHBondContact NH2-O 3.19Å
535	G	94.1	Very high	94.8	Very high	2 Å²	2	34 Å²	34	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	-78.6	33.7	176.1	0	0	0	0	0	114	H418 M421 A531 D532	H418-G535 PolarHBondContact ND1-O 2.96Å; M421-G535 WeakPolarHBondContact CB-O 3.09Å; A531-G535 VanDerWaalsContact O-CA 3.3Å; A531-G535 WeakPolarHBondContact O-CA 3.43Å; A531-G535 PolarHBondContact O-N 3.11Å; D532-G535 PolarHBondContact O-N 3.36Å
536	R	93.3	Very high	94.8	Very high	25 Å²	25	35.8 Å²	35.8	9%	0.094	21%	0.209	C	C	.	.	S	Bend	trans	-127.2	147.5	-178	-61.9	174.9	-53.2	165.3	-7.6	109.4	W409 H418 V533 R534 G538 F539	W409-R536 WeakPolarHBondContact O-CD 3.49Å; W409-R536 PolarHBondContact O-NH1 3.16Å; H418-R536 VanDerWaalsContact CE1-CG 3.43Å; H418-R536 WeakPolarHBondContact CE1-CG 3.23Å; H418-R536 WeakPolarHBondContact ND1-CG 3.39Å; V533-R536 PolarHBondContact O-NE 2.78Å; V533-R536 PolarHBondContact O-NH2 3.11Å; R534-R536 PolarHBondContact O-N 2.89Å; R536-G538 PolarHBondContact O-N 2.89Å; R536-G538 VanDerWaalsContact O-N 3.13Å; R536-F539 HydrophobicContact CB-CB 4.2Å; R536-F539 HydrophobicContact CB-CD2 4.17Å; R536-F539 PolarHBondContact O-N 2.84Å
537	T	89.8	Confident	94.7	Very high	66 Å²	66	35.8 Å²	35.8	41%	0.405	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	118.9	-173.6	-58.2	0	0	0	0	111	E412 F539	E412-T537 PolarHBondContact OE2-N 3.45Å; E412-T537 PolarHBondContact OE2-OG1 3.24Å; T537-F539 VanDerWaalsContact C-N 3.35Å; T537-F539 WeakPolarHBondContact O-CD2 3.25Å
538	G	92	Very high	94.6	Very high	61 Å²	61	39.8 Å²	39.8	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	4	179.8	0	0	0	0	0	115.2	R536 E540	R536-G538 PolarHBondContact O-N 2.89Å; R536-G538 VanDerWaalsContact O-N 3.13Å; G538-E540 WeakPolarHBondContact CA-OE2 3.49Å; G538-E540 PolarHBondContact N-OE1 3.38Å; G538-E540 PolarHBondContact N-OE2 2.83Å; G538-E540 VanDerWaalsContact N-OE2 3.16Å
539	F	92.4	Very high	94.6	Very high	72 Å²	72	44.4 Å²	44.4	32%	0.316	24%	0.24	S	C	.	.			trans	-112.8	12.4	177.5	-70.3	-94.3	0	0	0	113	P411 V533 R534 R536 T537 S541 A542	P411-F539 HydrophobicContact CG-CD2 4.45Å; P411-F539 HydrophobicContact CG-CE2 3.97Å; V533-F539 WeakPolarHBondContact O-CB 3.3Å; R534-F539 WeakPolarHBondContact CA-O 3.46Å; R536-F539 HydrophobicContact CB-CB 4.2Å; R536-F539 HydrophobicContact CB-CD2 4.17Å; R536-F539 PolarHBondContact O-N 2.84Å; T537-F539 VanDerWaalsContact C-N 3.35Å; T537-F539 WeakPolarHBondContact O-CD2 3.25Å; F539-S541 PolarHBondContact O-N 3.39Å; F539-A542 HydrophobicContact CB-CB 4.04Å; F539-A542 HydrophobicContact CD1-CB 4.04Å; F539-A542 WeakPolarHBondContact O-CB 3.31Å; F539-A542 PolarHBondContact O-N 3.23Å
540	E	91.9	Very high	94.6	Very high	91 Å²	91	44.3 Å²	44.3	43%	0.425	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28	-173.1	-58.3	81.6	178.3	0	0	112.9	M425 R534 G538	M425-E540 HydrophobicContact CE-CB 4.2Å; R534-E540 WeakPolarHBondContact CD-O 3.47Å; R534-E540 WeakPolarHBondContact O-CA 3.42Å; G538-E540 WeakPolarHBondContact CA-OE2 3.49Å; G538-E540 PolarHBondContact N-OE1 3.38Å; G538-E540 PolarHBondContact N-OE2 2.83Å; G538-E540 VanDerWaalsContact N-OE2 3.16Å
541	S	92.2	Very high	94.6	Very high	120 Å²	120	45.5 Å²	45.5	84%	0.839	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	12.3	177.3	-58	0	0	0	0	113.4	F539 D543	F539-S541 PolarHBondContact O-N 3.39Å; S541-D543 PolarHBondContact O-N 2.55Å
542	A	91.6	Very high	94.5	Very high	23 Å²	23	50.4 Å²	50.4	19%	0.19	27%	0.266	C	S	.	.			trans	-63.5	136.2	-177.3	0	0	0	0	0	111.2	V533 R534 F539	V533-A542 HydrophobicContact CG1-CB 4.27Å; R534-A542 PolarHBondContact NE-O 3.17Å; R534-A542 PolarHBondContact NH2-O 3.19Å; F539-A542 HydrophobicContact CB-CB 4.04Å; F539-A542 HydrophobicContact CD1-CB 4.04Å; F539-A542 WeakPolarHBondContact O-CB 3.31Å; F539-A542 PolarHBondContact O-N 3.23Å
543	D	93.2	Very high	94.5	Very high	99 Å²	99	51.1 Å²	51.1	53%	0.529	27%	0.273	S	S	.	.			trans	-67.6	141.6	170.6	-171.4	28.4	0	0	0	110.2	S541 R548	S541-D543 PolarHBondContact O-N 2.55Å; D543-R548 IonicContact OD1-CZ 3.38Å; D543-R548 IonicContact OD1-NH1 3.48Å; D543-R548 PolarHBondContact OD1-NH1 3.07Å; D543-R548 IonicContact OD1-NH2 3.23Å; D543-R548 PolarHBondContact OD1-NH2 2.85Å; D543-R548 IonicContact OD2-CZ 3.52Å; D543-R548 IonicContact OD2-NH1 3.23Å; D543-R548 IonicContact OD2-NH2 2.83Å; D543-R548 PolarHBondContact OD2-NH2 3.13Å
544	Y	94.9	Very high	94.6	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.012	27%	0.271	C	S	.	.			trans	-126.9	76.2	179.1	-168.9	-114.6	0	0	0	110.6	I495 H496 S529 E530 V533 Q546 G547	I495-Y544 WeakPolarHBondContact CG2-OH 3.45Å; H496-Y544 PolarHBondContact CE1-OH 3.1Å; H496-Y544 AromaticContact ND1-CE2 3.56Å; H496-Y544 AromaticContact ND1-CZ 3.62Å; H496-Y544 PolarHBondContact ND1-OH 3.02Å; S529-Y544 WeakPolarHBondContact CB-OH 3.26Å; E530-Y544 HydrophobicContact CB-CD1 3.63Å; E530-Y544 HydrophobicContact CB-CE1 4.22Å; E530-Y544 HydrophobicContact CB-CG 4.24Å; E530-Y544 HydrophobicContact CG-CD1 4.12Å; E530-Y544 HydrophobicContact CG-CG 4.34Å; V533-Y544 HydrophobicContact CB-CD2 3.77Å; V533-Y544 HydrophobicContact CB-CE2 4.04Å; V533-Y544 HydrophobicContact CB-CG 4.49Å; V533-Y544 HydrophobicContact CG1-CD2 3.86Å; V533-Y544 HydrophobicContact CG2-CD2 3.59Å; V533-Y544 HydrophobicContact CG2-CE2 3.4Å; V533-Y544 VanDerWaalsContact CG2-CE2 3.4Å; Y544-Q546 HydrophobicContact CD2-CB 4.41Å; Y544-Q546 HydrophobicContact CE1-CB 3.98Å; Y544-Q546 HydrophobicContact CE2-CB 3.84Å; Y544-Q546 HydrophobicContact CE2-CG 4.23Å; Y544-Q546 PolarHBondContact O-N 2.83Å; Y544-G547 VanDerWaalsContact CE1-N 3.32Å; Y544-G547 PolarHBondContact O-N 3.24Å
545	P	96.5	Very high	94.6	Very high	27 Å²	27	55.1 Å²	55.1	18%	0.175	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-25.2	-178.7	26.4	-35.2	0	0	0	113.3	G547 R548 W549	P545-G547 VanDerWaalsContact C-N 3.3Å; P545-G547 PolarHBondContact O-N 2.94Å; P545-R548 WeakPolarHBondContact O-CA 3.46Å; P545-R548 WeakPolarHBondContact O-CB 3.48Å; P545-R548 PolarHBondContact O-N 2.88Å; P545-W549 HydrophobicContact CB-CD2 4.16Å; P545-W549 HydrophobicContact CB-CE3 4.15Å; P545-W549 HydrophobicContact CB-CH2 3.62Å; P545-W549 HydrophobicContact CB-CZ2 3.65Å; P545-W549 HydrophobicContact CB-CZ3 3.83Å; P545-W549 HydrophobicContact CG-CH2 3.64Å; P545-W549 HydrophobicContact CG-CZ2 4.17Å; P545-W549 HydrophobicContact CG-CZ3 3.79Å; P545-W549 PolarHBondContact O-N 3.33Å
546	Q	96.4	Very high	94.7	Very high	40 Å²	40	59.6 Å²	59.6	19%	0.187	32%	0.319	C	S	.	.	H	α-helix	trans	-57.3	-41.5	178.8	-66.3	87.2	-27.3	0	0	112.5	H496 F498 Y544 R548 W549 L550	H496-Q546 PolarHBondContact O-NE2 2.88Å; F498-Q546 HydrophobicContact CB-CB 4.27Å; F498-Q546 HydrophobicContact CB-CG 4.3Å; Y544-Q546 HydrophobicContact CD2-CB 4.41Å; Y544-Q546 HydrophobicContact CE1-CB 3.98Å; Y544-Q546 HydrophobicContact CE2-CB 3.84Å; Y544-Q546 HydrophobicContact CE2-CG 4.23Å; Y544-Q546 PolarHBondContact O-N 2.83Å; Q546-R548 VanDerWaalsContact C-N 3.3Å; Q546-R548 PolarHBondContact O-N 3.3Å; Q546-W549 HydrophobicContact CB-CE3 4.44Å; Q546-W549 HydrophobicContact CG-CE3 4.16Å; Q546-W549 HydrophobicContact CG-CZ3 4.11Å; Q546-W549 PolarHBondContact O-N 2.72Å; Q546-L550 WeakPolarHBondContact O-CB 3.48Å; Q546-L550 PolarHBondContact O-N 3.17Å
547	G	95.5	Very high	94.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-33.5	174.4	0	0	0	0	0	112.8	Y544 P545 R551	Y544-G547 VanDerWaalsContact CE1-N 3.32Å; Y544-G547 PolarHBondContact O-N 3.24Å; P545-G547 VanDerWaalsContact C-N 3.3Å; P545-G547 PolarHBondContact O-N 2.94Å; G547-R551 WeakPolarHBondContact O-CG 3.36Å; G547-R551 PolarHBondContact O-N 2.96Å; G547-R551 PolarHBondContact O-NH1 2.96Å
548	R	96	Very high	94.7	Very high	104 Å²	104	61.2 Å²	61.2	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-71.9	-45.7	175	-66.3	-168.8	-65.7	-87.5	4.9	111.3	D543 P545 Q546 L550 R551 E552	D543-R548 IonicContact OD1-CZ 3.38Å; D543-R548 IonicContact OD1-NH1 3.48Å; D543-R548 PolarHBondContact OD1-NH1 3.07Å; D543-R548 IonicContact OD1-NH2 3.23Å; D543-R548 PolarHBondContact OD1-NH2 2.85Å; D543-R548 IonicContact OD2-CZ 3.52Å; D543-R548 IonicContact OD2-NH1 3.23Å; D543-R548 IonicContact OD2-NH2 2.83Å; D543-R548 PolarHBondContact OD2-NH2 3.13Å; P545-R548 WeakPolarHBondContact O-CA 3.46Å; P545-R548 WeakPolarHBondContact O-CB 3.48Å; P545-R548 PolarHBondContact O-N 2.88Å; Q546-R548 VanDerWaalsContact C-N 3.3Å; Q546-R548 PolarHBondContact O-N 3.3Å; R548-L550 VanDerWaalsContact C-N 3.28Å; R548-L550 PolarHBondContact O-N 2.95Å; R548-R551 WeakPolarHBondContact O-CB 3.44Å; R548-R551 PolarHBondContact O-N 2.61Å; R548-R551 VanDerWaalsContact O-N 3.09Å; R548-E552 WeakPolarHBondContact O-CG 3.25Å; R548-E552 PolarHBondContact O-N 3.05Å
549	W	97.2	Very high	94.7	Very high	100 Å²	100	62.2 Å²	62.2	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-61.3	-36.2	177	-62.7	-34.2	0	0	0	112.8	F498 P499 P545 Q546 A553	F498-W549 HydrophobicContact CD1-CB 3.58Å; F498-W549 HydrophobicContact CE1-CB 3.69Å; F498-W549 WeakPolarHBondContact CE1-O 3.32Å; P499-W549 HydrophobicContact CB-CZ3 4.29Å; P499-W549 HydrophobicContact CG-CE3 3.55Å; P499-W549 HydrophobicContact CG-CH2 4.01Å; P499-W549 HydrophobicContact CG-CZ3 3.16Å; P545-W549 HydrophobicContact CB-CD2 4.16Å; P545-W549 HydrophobicContact CB-CE3 4.15Å; P545-W549 HydrophobicContact CB-CH2 3.62Å; P545-W549 HydrophobicContact CB-CZ2 3.65Å; P545-W549 HydrophobicContact CB-CZ3 3.83Å; P545-W549 HydrophobicContact CG-CH2 3.64Å; P545-W549 HydrophobicContact CG-CZ2 4.17Å; P545-W549 HydrophobicContact CG-CZ3 3.79Å; P545-W549 PolarHBondContact O-N 3.33Å; Q546-W549 HydrophobicContact CB-CE3 4.44Å; Q546-W549 HydrophobicContact CG-CE3 4.16Å; Q546-W549 HydrophobicContact CG-CZ3 4.11Å; Q546-W549 PolarHBondContact O-N 2.72Å; W549-A553 WeakPolarHBondContact O-CB 3.29Å; W549-A553 PolarHBondContact O-N 3.03Å
550	L	97.1	Very high	94.4	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-44.5	173.3	-179.9	65.6	0	0	0	111.8	I495 F498 L509 F510 V522 L525 A526 Q546 R548 W554	I495-L550 HydrophobicContact CD1-CD1 4.32Å; I495-L550 HydrophobicContact CD1-CD2 4.08Å; I495-L550 HydrophobicContact CG2-CD2 4.24Å; F498-L550 HydrophobicContact CD2-CB 4.39Å; F498-L550 HydrophobicContact CD2-CD1 4.11Å; F498-L550 HydrophobicContact CE2-CB 4.14Å; F498-L550 HydrophobicContact CE2-CD1 3.48Å; F498-L550 VanDerWaalsContact CE2-CD1 3.48Å; F498-L550 HydrophobicContact CE2-CG 4.43Å; F498-L550 HydrophobicContact CZ-CB 4.4Å; F498-L550 HydrophobicContact CZ-CD1 4.19Å; L509-L550 HydrophobicContact CD2-CD1 4.01Å; F510-L550 HydrophobicContact CE1-CD1 3.75Å; F510-L550 HydrophobicContact CZ-CD1 4.29Å; V522-L550 HydrophobicContact CG1-CD2 4.33Å; V522-L550 HydrophobicContact CG1-CG 3.93Å; L525-L550 HydrophobicContact CB-CD2 4.37Å; A526-L550 HydrophobicContact CB-CD2 4.21Å; Q546-L550 WeakPolarHBondContact O-CB 3.48Å; Q546-L550 PolarHBondContact O-N 3.17Å; R548-L550 VanDerWaalsContact C-N 3.28Å; R548-L550 PolarHBondContact O-N 2.95Å; L550-W554 WeakPolarHBondContact O-CB 3.45Å; L550-W554 PolarHBondContact O-N 2.81Å; L550-W554 VanDerWaalsContact O-N 3.09Å
551	R	97.1	Very high	94	Very high	50 Å²	50	63 Å²	63	19%	0.189	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-47.8	177.1	-67.1	170.1	-176.5	106.8	-10	111.7	E523 A526 G547 R548 A553 W554 E555	E523-R551 IonicContact OE1-CZ 3.24Å; E523-R551 IonicContact OE1-NE 3.69Å; E523-R551 PolarHBondContact OE1-NE 2.88Å; E523-R551 IonicContact OE1-NH2 3.3Å; E523-R551 PolarHBondContact OE1-NH2 2.78Å; E523-R551 IonicContact OE2-CZ 3.49Å; E523-R551 IonicContact OE2-NE 3.09Å; E523-R551 PolarHBondContact OE2-NE 3.49Å; E523-R551 IonicContact OE2-NH2 2.76Å; E523-R551 PolarHBondContact OE2-NH2 3.4Å; A526-R551 VanDerWaalsContact CB-CZ 3.47Å; G547-R551 WeakPolarHBondContact O-CG 3.36Å; G547-R551 PolarHBondContact O-N 2.96Å; G547-R551 PolarHBondContact O-NH1 2.96Å; R548-R551 WeakPolarHBondContact O-CB 3.44Å; R548-R551 PolarHBondContact O-N 2.61Å; R548-R551 VanDerWaalsContact O-N 3.09Å; R551-A553 PolarHBondContact O-N 2.83Å; R551-W554 WeakPolarHBondContact O-CB 3.34Å; R551-W554 PolarHBondContact O-N 2.87Å; R551-W554 VanDerWaalsContact O-N 3.1Å; R551-E555 WeakPolarHBondContact O-CG 3.41Å; R551-E555 PolarHBondContact O-N 3.05Å
552	E	96.8	Very high	93.5	Very high	103 Å²	103	61.7 Å²	61.7	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-59.5	-45	177	-72	171.3	-167.5	0	0	111.4	R548 W554 E555 V556	R548-E552 WeakPolarHBondContact O-CG 3.25Å; R548-E552 PolarHBondContact O-N 3.05Å; E552-W554 VanDerWaalsContact C-N 3.25Å; E552-W554 PolarHBondContact O-N 2.89Å; E552-E555 PolarHBondContact O-N 3.49Å; E552-V556 WeakPolarHBondContact O-CG2 3.41Å; E552-V556 PolarHBondContact O-N 2.83Å
553	A	96.7	Very high	92.9	Very high	23 Å²	23	67.3 Å²	67.3	19%	0.19	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-35	176.5	0	0	0	0	0	112.2	F498 I506 F510 W549 R551 A557	F498-A553 HydrophobicContact CE1-CB 4.17Å; F498-A553 HydrophobicContact CZ-CB 3.67Å; I506-A553 HydrophobicContact CG2-CB 4.16Å; F510-A553 HydrophobicContact CE2-CB 4.42Å; F510-A553 HydrophobicContact CZ-CB 4.06Å; W549-A553 WeakPolarHBondContact O-CB 3.29Å; W549-A553 PolarHBondContact O-N 3.03Å; R551-A553 PolarHBondContact O-N 2.83Å; A553-A557 VanDerWaalsContact O-CB 3.25Å; A553-A557 WeakPolarHBondContact O-CB 3.44Å; A553-A557 PolarHBondContact O-N 3.41Å
554	W	96.9	Very high	92.2	Very high	17 Å²	17	65.7 Å²	65.7	6%	0.064	35%	0.349	C	S	.	.	H	α-helix	trans	-70.3	-41	175.7	179	-123.8	0	0	0	112.6	F510 A515 W516 P519 V522 L550 R551 E552 A557 Q558	F510-W554 HydrophobicContact CB-CE3 4.29Å; F510-W554 HydrophobicContact CB-CZ3 4.03Å; F510-W554 AromaticContact CD1-CE3 3.84Å; F510-W554 HydrophobicContact CD1-CE3 3.84Å; F510-W554 HydrophobicContact CD1-CZ3 4.39Å; F510-W554 AromaticContact CD2-CE3 3.79Å; F510-W554 HydrophobicContact CD2-CE3 3.79Å; F510-W554 HydrophobicContact CD2-CZ3 4.18Å; F510-W554 HydrophobicContact CE1-CB 4.03Å; F510-W554 HydrophobicContact CE1-CE3 4.04Å; F510-W554 HydrophobicContact CE2-CB 4.48Å; F510-W554 AromaticContact CE2-CE3 3.98Å; F510-W554 HydrophobicContact CE2-CE3 3.98Å; F510-W554 AromaticContact CG-CE3 3.72Å; F510-W554 HydrophobicContact CG-CE3 3.72Å; F510-W554 AromaticContact CG-CZ3 3.97Å; F510-W554 HydrophobicContact CG-CZ3 3.97Å; F510-W554 HydrophobicContact CZ-CB 3.81Å; F510-W554 HydrophobicContact CZ-CE3 4.11Å; A515-W554 VanDerWaalsContact C-CH2 3.45Å; A515-W554 HydrophobicContact CB-CD2 4.41Å; A515-W554 HydrophobicContact CB-CE3 4.07Å; A515-W554 HydrophobicContact CB-CH2 3.53Å; A515-W554 HydrophobicContact CB-CZ2 3.87Å; A515-W554 HydrophobicContact CB-CZ3 3.63Å; A515-W554 WeakPolarHBondContact O-CZ2 3.16Å; W516-W554 AromaticContact CD2-CH2 3.7Å; W516-W554 HydrophobicContact CD2-CH2 3.7Å; W516-W554 AromaticContact CD2-CZ3 3.84Å; W516-W554 HydrophobicContact CD2-CZ3 3.84Å; W516-W554 AromaticContact CE3-CH2 3.39Å; W516-W554 HydrophobicContact CE3-CH2 3.39Å; W516-W554 AromaticContact CE3-CZ3 3.66Å; W516-W554 HydrophobicContact CE3-CZ3 3.66Å; W516-W554 HydrophobicContact CG-CH2 4.22Å; W516-W554 HydrophobicContact CH2-CH2 4.48Å; W516-W554 AromaticContact CH2-CZ3 3.91Å; W516-W554 HydrophobicContact CH2-CZ3 3.91Å; W516-W554 HydrophobicContact CZ2-CZ3 4.07Å; W516-W554 AromaticContact CZ3-CH2 3.82Å; W516-W554 HydrophobicContact CZ3-CH2 3.82Å; W516-W554 AromaticContact CZ3-CZ3 3.69Å; W516-W554 HydrophobicContact CZ3-CZ3 3.69Å; P519-W554 HydrophobicContact CB-CZ2 4.01Å; V522-W554 HydrophobicContact CB-CG 4.2Å; V522-W554 HydrophobicContact CG1-CB 3.79Å; V522-W554 HydrophobicContact CG1-CG 3.96Å; V522-W554 HydrophobicContact CG2-CB 4.28Å; V522-W554 HydrophobicContact CG2-CD2 3.79Å; V522-W554 HydrophobicContact CG2-CE3 4.36Å; V522-W554 HydrophobicContact CG2-CG 3.71Å; L550-W554 WeakPolarHBondContact O-CB 3.45Å; L550-W554 PolarHBondContact O-N 2.81Å; L550-W554 VanDerWaalsContact O-N 3.09Å; R551-W554 WeakPolarHBondContact O-CB 3.34Å; R551-W554 PolarHBondContact O-N 2.87Å; R551-W554 VanDerWaalsContact O-N 3.1Å; E552-W554 VanDerWaalsContact C-N 3.25Å; E552-W554 PolarHBondContact O-N 2.89Å; W554-A557 HydrophobicContact CE3-CB 4.33Å; W554-A557 PolarHBondContact O-N 2.89Å; W554-Q558 HydrophobicContact CD2-CG 4.04Å; W554-Q558 VanDerWaalsContact CE2-CD 3.4Å; W554-Q558 VanDerWaalsContact CE2-NE2 3.3Å; W554-Q558 HydrophobicContact CE3-CG 4.36Å; W554-Q558 HydrophobicContact CH2-CG 3.94Å; W554-Q558 HydrophobicContact CZ2-CG 3.61Å; W554-Q558 HydrophobicContact CZ3-CG 4.31Å; W554-Q558 WeakPolarHBondContact O-CB 3.44Å; W554-Q558 WeakPolarHBondContact O-CG 3.43Å; W554-Q558 PolarHBondContact O-N 2.82Å; W554-Q558 PolarHBondContact O-NE2 2.84Å
555	E	96.1	Very high	91.3	Very high	131 Å²	131	67.4 Å²	67.4	61%	0.612	36%	0.36	S	S	*	.	H	α-helix	trans	-60.6	-45.7	172.9	-71.2	177.2	177.3	0	0	111.2	R551 E552 Q558 S559	R551-E555 WeakPolarHBondContact O-CG 3.41Å; R551-E555 PolarHBondContact O-N 3.05Å; E552-E555 PolarHBondContact O-N 3.49Å; E555-Q558 PolarHBondContact O-N 2.88Å; E555-S559 WeakPolarHBondContact O-CB 3.48Å; E555-S559 PolarHBondContact O-N 3.4Å
556	V	94.8	Very high	90.5	Very high	96 Å²	96	69.8 Å²	69.8	58%	0.582	37%	0.374	S	S	*	.	H	α-helix	trans	-60.8	-47	175.1	173.3	0	0	0	0	110.8	E552 Q558 S559	E552-V556 WeakPolarHBondContact O-CG2 3.41Å; E552-V556 PolarHBondContact O-N 2.83Å; V556-Q558 VanDerWaalsContact C-N 3.34Å; V556-Q558 PolarHBondContact O-N 3.04Å; V556-S559 PolarHBondContact O-N 2.78Å; V556-S559 VanDerWaalsContact O-N 3.14Å; V556-S559 PolarHBondContact O-OG 3.46Å
557	A	92.7	Very high	89.8	Confident	20 Å²	20	74.4 Å²	74.4	17%	0.165	40%	0.396	C	S	.	.	H	α-helix	trans	-61.1	-40.5	179.8	0	0	0	0	0	112.6	F510 W516 A553 W554 S559	F510-A557 HydrophobicContact CD2-CB 4.17Å; F510-A557 HydrophobicContact CE2-CB 3.97Å; W516-A557 HydrophobicContact CH2-CB 3.96Å; A553-A557 VanDerWaalsContact O-CB 3.25Å; A553-A557 WeakPolarHBondContact O-CB 3.44Å; A553-A557 PolarHBondContact O-N 3.41Å; W554-A557 HydrophobicContact CE3-CB 4.33Å; W554-A557 PolarHBondContact O-N 2.89Å; A557-S559 VanDerWaalsContact C-N 3.33Å
558	Q	91	Very high	89.2	Confident	105 Å²	105	77.8 Å²	77.8	49%	0.491	42%	0.423	S	S	.	.	H	α-helix	trans	-70.5	-27	175.9	-74.3	-178.2	96.2	0	0	113.4	W554 E555 V556 V560	W554-Q558 HydrophobicContact CD2-CG 4.04Å; W554-Q558 VanDerWaalsContact CE2-CD 3.4Å; W554-Q558 VanDerWaalsContact CE2-NE2 3.3Å; W554-Q558 HydrophobicContact CE3-CG 4.36Å; W554-Q558 HydrophobicContact CH2-CG 3.94Å; W554-Q558 HydrophobicContact CZ2-CG 3.61Å; W554-Q558 HydrophobicContact CZ3-CG 4.31Å; W554-Q558 WeakPolarHBondContact O-CB 3.44Å; W554-Q558 WeakPolarHBondContact O-CG 3.43Å; W554-Q558 PolarHBondContact O-N 2.82Å; W554-Q558 PolarHBondContact O-NE2 2.84Å; E555-Q558 PolarHBondContact O-N 2.88Å; V556-Q558 VanDerWaalsContact C-N 3.34Å; V556-Q558 PolarHBondContact O-N 3.04Å; Q558-V560 PolarHBondContact O-N 2.96Å
559	S	90.9	Very high	88.4	Confident	83 Å²	83	75.4 Å²	75.4	58%	0.58	43%	0.431	S	S	*	.	H	α-helix	trans	-72.4	-13.4	-179.6	77.3	0	0	0	0	113.9	E555 V556 A557 P561	E555-S559 WeakPolarHBondContact O-CB 3.48Å; E555-S559 PolarHBondContact O-N 3.4Å; V556-S559 PolarHBondContact O-N 2.78Å; V556-S559 VanDerWaalsContact O-N 3.14Å; V556-S559 PolarHBondContact O-OG 3.46Å; A557-S559 VanDerWaalsContact C-N 3.33Å; S559-P561 VanDerWaalsContact O-CD 3.24Å; S559-P561 WeakPolarHBondContact O-CD 3.4Å
560	V	87.6	Confident	87.4	Confident	87 Å²	87	75.4 Å²	75.4	53%	0.527	43%	0.434	S	S	.	.	S	Bend	trans	-67.7	116.6	-177.9	-178.4	0	0	0	0	110.2	Q558 T562	Q558-V560 PolarHBondContact O-N 2.96Å; V560-T562 PolarHBondContact O-N 3.42Å
561	P	82.5	Confident	86.3	Confident	91 Å²	91	83.4 Å²	83.4	59%	0.591	47%	0.469	S	S	*	.			trans	-66.6	123	-177.9	-19.6	32.1	0	0	0	111.7	S559 K563	S559-P561 VanDerWaalsContact O-CD 3.24Å; S559-P561 WeakPolarHBondContact O-CD 3.4Å; P561-K563 PolarHBondContact O-N 3.3Å
562	T	81.5	Confident	85.1	Confident	94 Å²	94	85 Å²	85	58%	0.577	49%	0.492	S	S	*	.	H	α-helix	trans	-69.6	-20.5	175.3	55.5	0	0	0	0	112.8	V560 A564 V565 V566	V560-T562 PolarHBondContact O-N 3.42Å; T562-A564 PolarHBondContact O-N 2.77Å; T562-V565 WeakPolarHBondContact O-CB 3.48Å; T562-V565 PolarHBondContact O-N 2.94Å; T562-V565 VanDerWaalsContact O-N 3.11Å; T562-V566 WeakPolarHBondContact O-CG2 3.4Å; T562-V566 PolarHBondContact O-N 2.82Å
563	K	79.2	Confident	83.8	Confident	141 Å²	141	83.7 Å²	83.7	61%	0.613	50%	0.499	S	S	*	.	H	α-helix	trans	-56.1	-48.1	-177.3	-176.8	174.7	172.6	179.7	0	112.4	P561 V565 V566 E567	P561-K563 PolarHBondContact O-N 3.3Å; K563-V565 VanDerWaalsContact C-N 3.28Å; K563-V565 PolarHBondContact O-N 2.86Å; K563-V566 PolarHBondContact O-N 3.03Å; K563-E567 WeakPolarHBondContact CE-OE1 3.49Å; K563-E567 HydrophobicContact CG-CG 4.29Å; K563-E567 IonicContact NZ-OE1 2.69Å; K563-E567 WeakPolarHBondContact O-CB 3.34Å; K563-E567 VanDerWaalsContact O-CG 3.27Å; K563-E567 WeakPolarHBondContact O-CG 3.04Å; K563-E567 PolarHBondContact O-N 3.05Å
564	A	78	Confident	82.5	Confident	64 Å²	64	85.6 Å²	85.6	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-34.7	179.3	0	0	0	0	0	112.3	T562 A568	T562-A564 PolarHBondContact O-N 2.77Å; A564-A568 VanDerWaalsContact O-CB 3.32Å; A564-A568 WeakPolarHBondContact O-CB 3.46Å; A564-A568 PolarHBondContact O-N 2.6Å
565	V	76.4	Confident	81	Confident	40 Å²	40	87.2 Å²	87.2	24%	0.242	52%	0.518	C	S	.	.	H	α-helix	trans	-70.1	-42.6	177	-177.9	0	0	0	0	110.7	T562 K563 A568 F570 I575	T562-V565 WeakPolarHBondContact O-CB 3.48Å; T562-V565 PolarHBondContact O-N 2.94Å; T562-V565 VanDerWaalsContact O-N 3.11Å; K563-V565 VanDerWaalsContact C-N 3.28Å; K563-V565 PolarHBondContact O-N 2.86Å; V565-A568 PolarHBondContact O-N 2.84Å; V565-F570 HydrophobicContact CG1-CB 3.89Å; V565-F570 HydrophobicContact CG1-CD2 3.92Å; V565-F570 HydrophobicContact CG1-CG 4.11Å; V565-F570 WeakPolarHBondContact O-CD2 3.3Å; V565-F570 PolarHBondContact O-N 2.92Å; V565-I575 HydrophobicContact CG1-CB 4.38Å; V565-I575 HydrophobicContact CG1-CG2 4.05Å
566	V	79.5	Confident	79.4	Confident	76 Å²	76	87.3 Å²	87.3	46%	0.461	52%	0.517	S	S	.	.	H	α-helix	trans	-66.7	-41.9	175.7	175.7	0	0	0	0	111	T562 K563 A568 G569 I575	T562-V566 WeakPolarHBondContact O-CG2 3.4Å; T562-V566 PolarHBondContact O-N 2.82Å; K563-V566 PolarHBondContact O-N 3.03Å; V566-A568 VanDerWaalsContact C-N 3.3Å; V566-A568 PolarHBondContact O-N 3.14Å; V566-G569 PolarHBondContact O-N 2.89Å; V566-I575 HydrophobicContact CG2-CD1 3.83Å; V566-I575 HydrophobicContact CG2-CG1 4.31Å; V566-I575 HydrophobicContact CG2-CG2 4.46Å
567	E	83.2	Confident	77.9	Confident	138 Å²	138	95.4 Å²	95.4	65%	0.645	54%	0.537	S	S	*	.	H	α-helix	trans	-65.3	-31.1	176.6	-75.3	175.3	165.9	0	0	112.6	K563 G569	K563-E567 WeakPolarHBondContact CE-OE1 3.49Å; K563-E567 HydrophobicContact CG-CG 4.29Å; K563-E567 IonicContact NZ-OE1 2.69Å; K563-E567 WeakPolarHBondContact O-CB 3.34Å; K563-E567 VanDerWaalsContact O-CG 3.27Å; K563-E567 WeakPolarHBondContact O-CG 3.04Å; K563-E567 PolarHBondContact O-N 3.05Å; E567-G569 PolarHBondContact O-N 2.96Å
568	A	81.7	Confident	77.1	Confident	70 Å²	70	99.2 Å²	99.2	58%	0.579	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-0.3	171.2	0	0	0	0	0	113.8	A564 V565 V566 F570	A564-A568 VanDerWaalsContact O-CB 3.32Å; A564-A568 WeakPolarHBondContact O-CB 3.46Å; A564-A568 PolarHBondContact O-N 2.6Å; V565-A568 PolarHBondContact O-N 2.84Å; V566-A568 VanDerWaalsContact C-N 3.3Å; V566-A568 PolarHBondContact O-N 3.14Å; A568-F570 HydrophobicContact CB-CD2 3.9Å; A568-F570 HydrophobicContact CB-CE2 3.89Å
569	G	78.6	Confident	76.4	Confident	54 Å²	54	98.8 Å²	98.8	56%	0.557	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.9	5.3	171.6	0	0	0	0	0	115.4	V566 E567	V566-G569 PolarHBondContact O-N 2.89Å; E567-G569 PolarHBondContact O-N 2.96Å
570	F	77.7	Confident	75.6	Confident	100 Å²	100	99.7 Å²	99.7	44%	0.439	56%	0.557	S	S	.	*			trans	-70.5	138.3	175.8	-65.1	-85	0	0	0	110.8	V565 A568 I575	V565-F570 HydrophobicContact CG1-CB 3.89Å; V565-F570 HydrophobicContact CG1-CD2 3.92Å; V565-F570 HydrophobicContact CG1-CG 4.11Å; V565-F570 WeakPolarHBondContact O-CD2 3.3Å; V565-F570 PolarHBondContact O-N 2.92Å; A568-F570 HydrophobicContact CB-CD2 3.9Å; A568-F570 HydrophobicContact CB-CE2 3.89Å; F570-I575 HydrophobicContact CB-CG1 4.17Å; F570-I575 WeakPolarHBondContact O-CG1 3.33Å
571	K	74.4	Confident	74.9	Confident	168 Å²	168	100.5 Å²	100.5	73%	0.73	56%	0.559	S	S	*	*			trans	-123	140.3	-176.2	-66.6	-174.1	-179.5	-179.5	0	112.4	A573 T574	K571-A573 PolarHBondContact O-N 3.01Å; K571-T574 PolarHBondContact N-OG1 2.96Å; K571-T574 PolarHBondContact O-N 3.39Å; K571-T574 VanDerWaalsContact O-N 3.11Å; K571-T574 PolarHBondContact O-OG1 3.31Å
572	A	71.9	Confident	74.4	Confident	83 Å²	83	101.1 Å²	101.1	69%	0.686	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	49.9	-120.6	171.9	0	0	0	0	0	113.1	T574 I575	A572-T574 PolarHBondContact O-N 3.26Å; A572-T574 VanDerWaalsContact O-N 3.13Å; A572-I575 WeakPolarHBondContact O-CB 3.48Å; A572-I575 PolarHBondContact O-N 3.18Å
573	A	67.7	Low	74	Confident	76 Å²	76	101.5 Å²	101.5	63%	0.628	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-60.6	-22.6	-176.7	0	0	0	0	0	113.9	K571 I575 K576	K571-A573 PolarHBondContact O-N 3.01Å; A573-I575 VanDerWaalsContact C-N 3.3Å; A573-K576 PolarHBondContact O-N 3.43Å
574	T	69.3	Low	73.6	Confident	63 Å²	63	98.7 Å²	98.7	39%	0.387	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-79.7	-10.3	176.2	65.5	0	0	0	0	113.4	K571 A572	K571-T574 PolarHBondContact N-OG1 2.96Å; K571-T574 PolarHBondContact O-N 3.39Å; K571-T574 VanDerWaalsContact O-N 3.11Å; K571-T574 PolarHBondContact O-OG1 3.31Å; A572-T574 PolarHBondContact O-N 3.26Å; A572-T574 VanDerWaalsContact O-N 3.13Å
575	I	65.3	Low	73.3	Confident	51 Å²	51	101.4 Å²	101.4	26%	0.262	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-71.1	-26.7	172.4	-63.2	164.4	0	0	0	110.3	V565 V566 F570 A572 A573	V565-I575 HydrophobicContact CG1-CB 4.38Å; V565-I575 HydrophobicContact CG1-CG2 4.05Å; V566-I575 HydrophobicContact CG2-CD1 3.83Å; V566-I575 HydrophobicContact CG2-CG1 4.31Å; V566-I575 HydrophobicContact CG2-CG2 4.46Å; F570-I575 HydrophobicContact CB-CG1 4.17Å; F570-I575 WeakPolarHBondContact O-CG1 3.33Å; A572-I575 WeakPolarHBondContact O-CB 3.48Å; A572-I575 PolarHBondContact O-N 3.18Å; A573-I575 VanDerWaalsContact C-N 3.3Å
576	K	64.2	Low	73	Confident	134 Å²	134	106.5 Å²	106.5	58%	0.583	58%	0.58	S	S	*	*			trans	-81.3	-25.2	-180	-64.1	-171.7	175.7	-169.8	0	113.8	A573	A573-K576 PolarHBondContact O-N 3.43Å
577	R	62.4	Low	72.4	Confident	265 Å²	265	109.3 Å²	109.3	100%	1	59%	0.59	S	S	*	*			trans	-87.5	0	179.2	-72.3	-172.1	-176.7	-178.3	1.9	109.9

Retrieved 577 of 577 residues in 405.2 ms (Link to these results)

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