A0A087XZI7_POEFO Loading...

Amyloid beta (A4) precursor-like protein 2

AlphaFold DB , UniProt , Accession A0A087XZI7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 717 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	47.2	Very low	249 Å²	249	108.1 Å²	108.1	100%	1.227	69%	0.693	S	S	*	*				0	122.1	0	-60.3	173.3	81.3	0	0	105.7
2	G	39.4	Very low	46.9	Very low	77 Å²	77	109.1 Å²	109.1	79%	0.794	69%	0.688	S	S	*	*			cis	-146.2	163.2	14.7	0	0	0	0	0	112.3
3	S	49.6	Very low	46.8	Very low	111 Å²	111	104.5 Å²	104.5	78%	0.776	67%	0.674	S	S	*	*			trans	-63	164.5	167.4	47.3	0	0	0	0	113.1
4	V	46	Very low	47	Very low	127 Å²	127	104.6 Å²	104.6	77%	0.77	67%	0.665	S	S	*	*			trans	107.7	130	156.6	-179	0	0	0	0	113.5
5	P	52.4	Low	46.8	Very low	72 Å²	72	102.5 Å²	102.5	47%	0.468	65%	0.65	S	S	.	*			cis	-144.8	160	-25.1	36.2	-17.7	0	0	0	115.9	I7	P5-I7 HydrophobicContact CB-CB 4.22Å; P5-I7 HydrophobicContact CB-CD1 3.81Å; P5-I7 HydrophobicContact CB-CG1 3.84Å; P5-I7 HydrophobicContact CG-CB 3.96Å; P5-I7 HydrophobicContact CG-CD1 3.79Å; P5-I7 HydrophobicContact CG-CG1 4.01Å; P5-I7 PolarHBondContact O-N 2.87Å
6	A	50.8	Low	46.7	Very low	85 Å²	85	102.3 Å²	102.3	70%	0.702	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	8.6	163.5	0	0	0	0	0	115.5
7	I	47.8	Very low	46.6	Very low	112 Å²	112	101.1 Å²	101.1	57%	0.574	64%	0.64	S	S	*	*	H	α-helix	trans	-77	-30.5	179.9	-61	164.1	0	0	0	110.7	P5 A9 L10 V11	P5-I7 HydrophobicContact CB-CB 4.22Å; P5-I7 HydrophobicContact CB-CD1 3.81Å; P5-I7 HydrophobicContact CB-CG1 3.84Å; P5-I7 HydrophobicContact CG-CB 3.96Å; P5-I7 HydrophobicContact CG-CD1 3.79Å; P5-I7 HydrophobicContact CG-CG1 4.01Å; P5-I7 PolarHBondContact O-N 2.87Å; I7-A9 VanDerWaalsContact C-N 3.32Å; I7-A9 PolarHBondContact O-N 3.16Å; I7-L10 PolarHBondContact O-N 3.24Å; I7-V11 HydrophobicContact CG2-CG2 4.4Å; I7-V11 WeakPolarHBondContact O-CG2 3.43Å; I7-V11 PolarHBondContact O-N 3.38Å; I7-V11 VanDerWaalsContact O-N 3.16Å
8	S	45.7	Very low	46.4	Very low	87 Å²	87	98.7 Å²	98.7	61%	0.608	63%	0.631	S	S	*	*	H	α-helix	trans	-71	-26.8	-178.3	-160	0	0	0	0	113.6
9	A	47.6	Very low	46	Very low	77 Å²	77	99.4 Å²	99.4	64%	0.636	63%	0.629	S	S	*	*	H	α-helix	trans	-78.8	-28.9	175.1	0	0	0	0	0	111.9	I7 G13	I7-A9 VanDerWaalsContact C-N 3.32Å; I7-A9 PolarHBondContact O-N 3.16Å; A9-G13 PolarHBondContact O-N 3.15Å; A9-G13 VanDerWaalsContact O-N 3.15Å
10	L	48.8	Very low	45.7	Very low	110 Å²	110	97.3 Å²	97.3	58%	0.576	62%	0.621	S	S	*	*	H	α-helix	trans	-75.4	-31.5	178.8	-128.1	153	0	0	0	111.7	I7 I14	I7-L10 PolarHBondContact O-N 3.24Å; L10-I14 HydrophobicContact CD2-CD1 3.45Å; L10-I14 VanDerWaalsContact CD2-CD1 3.45Å; L10-I14 HydrophobicContact CD2-CG1 4.24Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.32Å; L10-I14 PolarHBondContact O-N 3.25Å
11	V	48.5	Very low	45.3	Very low	82 Å²	82	94.3 Å²	94.3	50%	0.497	61%	0.609	S	S	.	*	H	α-helix	trans	-72.6	-37.3	175.3	177.6	0	0	0	0	112.1	I7 V15	I7-V11 HydrophobicContact CG2-CG2 4.4Å; I7-V11 WeakPolarHBondContact O-CG2 3.43Å; I7-V11 PolarHBondContact O-N 3.38Å; I7-V11 VanDerWaalsContact O-N 3.16Å; V11-V15 HydrophobicContact CG1-CG2 4.16Å; V11-V15 WeakPolarHBondContact O-CB 3.16Å; V11-V15 WeakPolarHBondContact O-CG2 3.48Å; V11-V15 PolarHBondContact O-N 3.31Å; V11-V15 VanDerWaalsContact O-N 3.13Å
12	L	43.8	Very low	45	Very low	120 Å²	120	90.4 Å²	90.4	63%	0.628	58%	0.582	S	S	*	*	H	α-helix	trans	-74.9	-27.6	175.7	-82.2	160.4	0	0	0	113.2	V16	L12-V16 WeakPolarHBondContact O-CG2 3.24Å
13	G	46	Very low	44.9	Very low	49 Å²	49	93 Å²	93	51%	0.505	58%	0.576	S	S	.	*	H	α-helix	trans	-76.8	-19.3	174.9	0	0	0	0	0	114.9	A9 P17	A9-G13 PolarHBondContact O-N 3.15Å; A9-G13 VanDerWaalsContact O-N 3.15Å; G13-P17 VanDerWaalsContact O-CD 3.26Å; G13-P17 WeakPolarHBondContact O-CD 3.34Å; G13-P17 WeakPolarHBondContact O-CG 3.26Å
14	I	49.6	Very low	44.2	Very low	107 Å²	107	94.3 Å²	94.3	55%	0.549	57%	0.57	S	S	.	*	H	α-helix	trans	-100.2	-31.5	178.9	-65.5	175.5	0	0	0	111.9	L10 A18	L10-I14 HydrophobicContact CD2-CD1 3.45Å; L10-I14 VanDerWaalsContact CD2-CD1 3.45Å; L10-I14 HydrophobicContact CD2-CG1 4.24Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.32Å; L10-I14 PolarHBondContact O-N 3.25Å; I14-A18 VanDerWaalsContact O-CB 3.24Å; I14-A18 WeakPolarHBondContact O-CB 3.49Å; I14-A18 PolarHBondContact O-N 3.13Å
15	V	44.3	Very low	43.6	Very low	72 Å²	72	90.7 Å²	90.7	44%	0.436	55%	0.553	S	S	.	*	H	α-helix	trans	-80.3	-28.6	-174.7	177.3	0	0	0	0	113.1	V11 L19	V11-V15 HydrophobicContact CG1-CG2 4.16Å; V11-V15 WeakPolarHBondContact O-CB 3.16Å; V11-V15 WeakPolarHBondContact O-CG2 3.48Å; V11-V15 PolarHBondContact O-N 3.31Å; V11-V15 VanDerWaalsContact O-N 3.13Å; V15-L19 HydrophobicContact CG1-CD1 4.13Å; V15-L19 HydrophobicContact CG1-CG 4.5Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 3.47Å; V15-L19 VanDerWaalsContact O-N 3.12Å
16	V	45.4	Very low	42.8	Very low	100 Å²	100	93.8 Å²	93.8	61%	0.606	57%	0.565	S	S	*	*	H	α-helix	trans	-74.5	-40.8	179.1	-178.4	0	0	0	0	112.8	L12 A18 A20	L12-V16 WeakPolarHBondContact O-CG2 3.24Å; V16-A18 VanDerWaalsContact C-N 3.33Å; V16-A20 PolarHBondContact O-N 3.12Å
17	P	44.3	Very low	42	Very low	81 Å²	81	92.8 Å²	92.8	53%	0.526	56%	0.556	S	S	.	*	H	α-helix	trans	-70.3	-28.7	170.8	-16.2	30.3	0	0	0	112.9	G13 G21	G13-P17 VanDerWaalsContact O-CD 3.26Å; G13-P17 WeakPolarHBondContact O-CD 3.34Å; G13-P17 WeakPolarHBondContact O-CG 3.26Å; P17-G21 PolarHBondContact O-N 2.86Å
18	A	42.2	Very low	41.2	Very low	58 Å²	58	90.5 Å²	90.5	48%	0.479	56%	0.555	S	S	.	*	H	α-helix	trans	-72	-31.4	178.5	0	0	0	0	0	113	I14 V16 Y22	I14-A18 VanDerWaalsContact O-CB 3.24Å; I14-A18 WeakPolarHBondContact O-CB 3.49Å; I14-A18 PolarHBondContact O-N 3.13Å; V16-A18 VanDerWaalsContact C-N 3.33Å; A18-Y22 WeakPolarHBondContact O-CB 3.42Å; A18-Y22 PolarHBondContact O-N 3.28Å
19	L	40	Very low	40.7	Very low	112 Å²	112	94.1 Å²	94.1	59%	0.586	57%	0.567	S	S	*	*	H	α-helix	trans	-79.5	-30.5	173.7	-71	172.7	0	0	0	112.7	V15 Y22 I23	V15-L19 HydrophobicContact CG1-CD1 4.13Å; V15-L19 HydrophobicContact CG1-CG 4.5Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 3.47Å; V15-L19 VanDerWaalsContact O-N 3.12Å; L19-Y22 PolarHBondContact O-N 3.19Å; L19-I23 WeakPolarHBondContact O-CG1 3.08Å; L19-I23 PolarHBondContact O-N 3.32Å
20	A	38.8	Very low	40.1	Very low	57 Å²	57	94.6 Å²	94.6	47%	0.471	57%	0.571	S	S	.	*	H	α-helix	trans	-68.4	-42.1	169.3	0	0	0	0	0	111.3	V16 Y22 I23 E24	V16-A20 PolarHBondContact O-N 3.12Å; A20-Y22 VanDerWaalsContact C-N 3.3Å; A20-Y22 PolarHBondContact O-N 2.8Å; A20-I23 PolarHBondContact O-N 3.23Å; A20-E24 PolarHBondContact O-N 2.92Å
21	G	38.3	Very low	39.3	Very low	36 Å²	36	92 Å²	92	37%	0.371	57%	0.57	S	S	.	*	H	α-helix	trans	-67.4	-23.9	173.6	0	0	0	0	0	114.1	P17 A25	P17-G21 PolarHBondContact O-N 2.86Å; G21-A25 WeakPolarHBondContact O-CB 3.36Å; G21-A25 PolarHBondContact O-N 3.46Å
22	Y	36.3	Very low	38.6	Very low	167 Å²	167	94.9 Å²	94.9	66%	0.655	59%	0.588	S	S	*	*	H	α-helix	trans	-82.8	-28.1	175.1	-150.1	-94.9	0	0	0	112.9	A18 L19 A20 L26	A18-Y22 WeakPolarHBondContact O-CB 3.42Å; A18-Y22 PolarHBondContact O-N 3.28Å; L19-Y22 PolarHBondContact O-N 3.19Å; A20-Y22 VanDerWaalsContact C-N 3.3Å; A20-Y22 PolarHBondContact O-N 2.8Å; Y22-L26 HydrophobicContact CD1-CD1 4.46Å; Y22-L26 PolarHBondContact O-N 3.01Å
23	I	36.5	Very low	37.9	Very low	130 Å²	130	92.5 Å²	92.5	67%	0.667	59%	0.593	S	S	*	*	H	α-helix	trans	-79.9	-32.6	172.4	-63.2	173	0	0	0	110.4	L19 A20 A27	L19-I23 WeakPolarHBondContact O-CG1 3.08Å; L19-I23 PolarHBondContact O-N 3.32Å; A20-I23 PolarHBondContact O-N 3.23Å; I23-A27 PolarHBondContact O-N 3.4Å
24	E	34.9	Very low	37	Very low	140 Å²	140	98.3 Å²	98.3	65%	0.654	61%	0.611	S	S	*	*	H	α-helix	trans	-74.3	-26.6	165.6	-85.1	180	160.6	0	0	112.9	A20 L26 A27 A28	A20-E24 PolarHBondContact O-N 2.92Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 3.46Å; E24-A27 CarbonylContact O-C 3.41Å; E24-A27 PolarHBondContact O-N 3.34Å; E24-A27 VanDerWaalsContact O-N 3.09Å; E24-A28 WeakPolarHBondContact O-CA 3.02Å; E24-A28 WeakPolarHBondContact O-CB 3.41Å; E24-A28 PolarHBondContact O-N 3.46Å
25	A	33.8	Very low	36.4	Very low	51 Å²	51	96.4 Å²	96.4	42%	0.421	62%	0.618	S	S	.	*	H	α-helix	trans	-74.4	-20.2	173.1	0	0	0	0	0	113.8	G21 A27	G21-A25 WeakPolarHBondContact O-CB 3.36Å; G21-A25 PolarHBondContact O-N 3.46Å; A25-A27 VanDerWaalsContact C-N 3.34Å
26	L	35.1	Very low	36.9	Very low	137 Å²	137	96.5 Å²	96.5	72%	0.717	63%	0.627	S	S	*	*	H	α-helix	trans	-80.8	-15.3	166.4	-79.5	162.2	0	0	0	112.8	Y22 E24	Y22-L26 HydrophobicContact CD1-CD1 4.46Å; Y22-L26 PolarHBondContact O-N 3.01Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 3.46Å
27	A	35.3	Very low	38.3	Very low	63 Å²	63	94.5 Å²	94.5	52%	0.521	62%	0.615	S	S	.	*	H	α-helix	trans	-103.3	-19.2	173.2	0	0	0	0	0	113.6	I23 E24 A25 A30	I23-A27 PolarHBondContact O-N 3.4Å; E24-A27 CarbonylContact O-C 3.41Å; E24-A27 PolarHBondContact O-N 3.34Å; E24-A27 VanDerWaalsContact O-N 3.09Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A27-A30 PolarHBondContact O-N 2.96Å
28	A	31	Very low	40.3	Very low	65 Å²	65	95.8 Å²	95.8	54%	0.537	61%	0.614	S	S	.	*	H	α-helix	trans	-93	-8.3	-178.3	0	0	0	0	0	112.9	E24	E24-A28 WeakPolarHBondContact O-CA 3.02Å; E24-A28 WeakPolarHBondContact O-CB 3.41Å; E24-A28 PolarHBondContact O-N 3.46Å
29	N	33.5	Very low	42.7	Very low	163 Å²	163	93.7 Å²	93.7	87%	0.872	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	10	157.2	-98.1	28.7	0	0	0	112.9
30	A	35.1	Very low	45.3	Very low	87 Å²	87	90.1 Å²	90.1	72%	0.719	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	22.1	175.4	0	0	0	0	0	112.8	A27	A27-A30 PolarHBondContact O-N 2.96Å
31	G	33	Very low	48	Very low	54 Å²	54	87.4 Å²	87.4	56%	0.557	55%	0.553	S	S	*	*			trans	-152.9	72.4	-170.7	0	0	0	0	0	115.9
32	T	32.8	Very low	50.7	Low	143 Å²	143	85.7 Å²	85.7	88%	0.877	54%	0.535	S	S	*	.	S	Bend	trans	179.7	89.4	148.7	33.3	0	0	0	0	105.6
33	G	29.7	Very low	53.4	Low	70 Å²	70	79 Å²	79	72%	0.722	51%	0.51	S	S	*	.	S	Bend	cis	90.2	100.2	41.4	0	0	0	0	0	108
34	L	27.8	Very low	56	Low	171 Å²	171	76.2 Å²	76.2	90%	0.895	49%	0.493	S	S	*	.			cis	-108.4	100.6	42.4	-68.1	98.7	0	0	0	114	A36	L34-A36 PolarHBondContact O-N 3.37Å
35	G	37.4	Very low	58.5	Low	67 Å²	67	73.8 Å²	73.8	69%	0.691	49%	0.491	S	S	*	.			trans	-69.9	85	143.7	0	0	0	0	0	107.4	V37	G35-V37 VanDerWaalsContact C-N 3.34Å; G35-V37 PolarHBondContact O-N 3.49Å
36	A	53.2	Low	61	Low	75 Å²	75	74 Å²	74	62%	0.62	50%	0.499	S	S	*	.			trans	-67.7	102.3	163.7	0	0	0	0	0	105.8	L34 E38	L34-A36 PolarHBondContact O-N 3.37Å; A36-E38 PolarHBondContact O-N 2.64Å; A36-E38 VanDerWaalsContact O-N 3.16Å
37	V	75.8	Confident	63.6	Low	58 Å²	58	68.8 Å²	68.8	35%	0.352	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-60	122.8	172.9	-178.1	0	0	0	0	106.8	G35 V52 I54	G35-V37 VanDerWaalsContact C-N 3.34Å; G35-V37 PolarHBondContact O-N 3.49Å; V37-V52 HydrophobicContact CB-CG1 4.41Å; V37-V52 HydrophobicContact CG1-CG1 3.58Å; V37-I54 WeakPolarHBondContact O-CG2 3.36Å
38	E	85	Confident	66.2	Low	107 Å²	107	66.1 Å²	66.1	50%	0.5	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-57.4	136.5	-175.2	-70.4	177.8	173.4	0	0	110.8	A36 Q40	A36-E38 PolarHBondContact O-N 2.64Å; A36-E38 VanDerWaalsContact O-N 3.16Å; E38-Q40 PolarHBondContact O-N 3.09Å
39	P	93.4	Very high	69.1	Low	14 Å²	14	63 Å²	63	9%	0.091	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-66.5	118.6	179.9	27.7	-34.6	0	0	0	109.9	I54 Y84 L87 I89 C124 V126	P39-I54 HydrophobicContact CB-CG2 4.21Å; P39-Y84 HydrophobicContact CB-CD1 4.02Å; P39-Y84 HydrophobicContact CB-CD2 3.74Å; P39-Y84 HydrophobicContact CB-CE1 3.87Å; P39-Y84 HydrophobicContact CB-CE2 3.57Å; P39-Y84 HydrophobicContact CB-CG 3.96Å; P39-L87 HydrophobicContact CB-CD1 3.94Å; P39-L87 HydrophobicContact CG-CD1 3.82Å; P39-I89 HydrophobicContact CG-CD1 4.46Å; P39-C124 HydrophobicContact CB-CB 4.18Å; P39-C124 HydrophobicContact CG-CB 4.19Å; P39-C124 WeakPolarHBondContact CG-O 3.31Å; P39-C124 WeakPolarHBondContact O-CB 3.2Å; P39-C124 PolarHBondContact O-N 3.48Å; P39-V126 HydrophobicContact CG-CG2 3.72Å
40	Q	95.1	Very high	71.9	Confident	37 Å²	37	55.4 Å²	55.4	17%	0.173	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.1	179.9	-63	178.7	34.3	0	0	111.2	E38 H51 V52 W59 Y84 Y122 M123	E38-Q40 PolarHBondContact O-N 3.09Å; Q40-H51 WeakPolarHBondContact O-CA 3.37Å; Q40-V52 HydrophobicContact CB-CG2 3.89Å; Q40-V52 PolarHBondContact O-N 3.21Å; Q40-W59 HydrophobicContact CB-CH2 3.92Å; Q40-Y84 PolarHBondContact N-OH 3.24Å; Q40-Y84 PolarHBondContact O-OH 3.08Å; Q40-Y122 CarbonylContact C-O 3.59Å; Q40-Y122 VanDerWaalsContact CA-O 3.25Å; Q40-Y122 WeakPolarHBondContact CA-O 3.5Å; Q40-M123 HydrophobicContact CG-CG 4.22Å
41	V	95.3	Very high	74.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.7	172.7	-61.7	0	0	0	0	110.1	M43 M50 H51 V76 Y79 Y84 P121 Y122	V41-M43 HydrophobicContact CG2-CE 4.47Å; V41-M50 CarbonylContact C-O 3.58Å; V41-M50 WeakPolarHBondContact CA-O 3.25Å; V41-H51 HydrophobicContact CG1-CB 4.13Å; V41-V76 HydrophobicContact CG2-CG1 4.07Å; V41-Y79 HydrophobicContact CB-CD1 4.02Å; V41-Y79 HydrophobicContact CB-CE1 4.04Å; V41-Y79 HydrophobicContact CG1-CD1 3.91Å; V41-Y79 HydrophobicContact CG1-CE1 3.89Å; V41-Y79 HydrophobicContact CG2-CD1 4.22Å; V41-Y84 HydrophobicContact CG1-CE2 3.95Å; V41-P121 WeakPolarHBondContact O-CA 3.42Å; V41-Y122 PolarHBondContact N-O 3.34Å; V41-Y122 PolarHBondContact O-N 2.69Å
42	A	94.6	Very high	77.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.8	178.4	0	0	0	0	0	110.1	M50 W59 I101 W104 V119 P121	A42-M50 HydrophobicContact CB-CB 4.36Å; A42-M50 PolarHBondContact N-O 3.17Å; A42-M50 PolarHBondContact O-N 3.19Å; A42-W59 HydrophobicContact CB-CE3 4.34Å; A42-W59 HydrophobicContact CB-CH2 3.8Å; A42-W59 HydrophobicContact CB-CZ3 3.6Å; A42-I101 HydrophobicContact CB-CD1 3.36Å; A42-W104 HydrophobicContact CB-CZ2 4.33Å; A42-V119 HydrophobicContact CB-CG2 3.92Å; A42-P121 HydrophobicContact CB-CB 4.25Å
43	M	92.7	Very high	80.4	Confident	27 Å²	27	44.6 Å²	44.6	13%	0.133	29%	0.292	C	S	.	.			trans	-126.6	134.7	-174.1	-62.3	-167.4	-177.9	0	0	110.4	V41 C69 V70 V76 Y79	V41-M43 HydrophobicContact CG2-CE 4.47Å; M43-C69 HydrophobicContact CB-CB 4.07Å; M43-V70 HydrophobicContact CE-CB 4.16Å; M43-V70 HydrophobicContact CE-CG2 3.84Å; M43-V70 HydrophobicContact SD-CB 3.87Å; M43-V70 HydrophobicContact SD-CG2 3.93Å; M43-V70 PolarHBondContact SD-N 3.27Å; M43-V76 HydrophobicContact CE-CB 4.16Å; M43-V76 HydrophobicContact CE-CG1 3.99Å; M43-V76 HydrophobicContact CE-CG2 3.81Å; M43-V76 HydrophobicContact SD-CG2 3.99Å; M43-Y79 HydrophobicContact CE-CD1 3.65Å; M43-Y79 HydrophobicContact CE-CE1 4.48Å; M43-Y79 HydrophobicContact CE-CG 4.05Å
44	F	90.7	Very high	83.2	Confident	71 Å²	71	44.4 Å²	44.4	31%	0.311	27%	0.274	S	S	.	.			trans	-141.8	117.1	174	-170.4	-91	0	0	0	108.4	G46 K47 W104 H117 V119	F44-G46 PolarHBondContact O-N 2.95Å; F44-K47 HydrophobicContact CD1-CB 4.37Å; F44-K47 HydrophobicContact CD1-CD 3.96Å; F44-K47 HydrophobicContact CD1-CG 3.9Å; F44-K47 HydrophobicContact CE1-CD 4.45Å; F44-K47 HydrophobicContact CE1-CG 4.49Å; F44-K47 PolarHBondContact O-N 3.46Å; F44-K47 VanDerWaalsContact O-N 3.1Å; F44-W104 HydrophobicContact CB-CD2 4.27Å; F44-W104 HydrophobicContact CB-CE3 3.88Å; F44-W104 HydrophobicContact CB-CH2 3.31Å; F44-W104 HydrophobicContact CB-CZ2 3.74Å; F44-W104 HydrophobicContact CB-CZ3 3.34Å; F44-H117 HydrophobicContact CD2-CB 4.28Å; F44-H117 AromaticContact CE1-CE1 3.98Å; F44-H117 AromaticContact CE1-ND1 3.99Å; F44-H117 HydrophobicContact CE2-CB 4.36Å; F44-H117 AromaticContact CE2-ND1 3.58Å; F44-H117 AromaticContact CZ-CE1 3.72Å; F44-H117 AromaticContact CZ-ND1 3.43Å; F44-H117 WeakPolarHBondContact CZ-ND1 3.37Å; F44-V119 HydrophobicContact CB-CG1 4.36Å; F44-V119 HydrophobicContact CD2-CG1 3.79Å
45	C	89	Confident	85.9	Confident	89 Å²	89	44.7 Å²	44.7	60%	0.601	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	135.6	-171.8	-66.3	0	0	0	0	112.7	K47 C69	C45-K47 VanDerWaalsContact C-N 3.31Å; C45-C69 WeakPolarHBondContact CA-SG 3.32Å; C45-C69 HydrophobicContact CB-CB 3.99Å; C45-C69 WeakPolarHBondContact CB-SG 3.3Å; C45-C69 WeakPolarHBondContact SG-CB 3.45Å; C45-C69 CovalentContact SG-SG 2.04Å; C45-C69 PolarHBondContact SG-SG 3.49Å
46	G	86	Confident	88.3	Confident	57 Å²	57	45 Å²	45	59%	0.588	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-0.5	-175.8	0	0	0	0	0	114.4	F44	F44-G46 PolarHBondContact O-N 2.95Å
47	K	88.6	Confident	89.9	Confident	26 Å²	26	42.9 Å²	42.9	11%	0.113	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-128.3	164.5	174.2	-57.1	-163	-171.9	-167.3	0	111.2	F44 C45 S68 W104 C105 H117	F44-K47 HydrophobicContact CD1-CB 4.37Å; F44-K47 HydrophobicContact CD1-CD 3.96Å; F44-K47 HydrophobicContact CD1-CG 3.9Å; F44-K47 HydrophobicContact CE1-CD 4.45Å; F44-K47 HydrophobicContact CE1-CG 4.49Å; F44-K47 PolarHBondContact O-N 3.46Å; F44-K47 VanDerWaalsContact O-N 3.1Å; C45-K47 VanDerWaalsContact C-N 3.31Å; K47-S68 WeakPolarHBondContact O-CB 3.46Å; K47-S68 PolarHBondContact O-OG 2.98Å; K47-W104 HydrophobicContact CB-CD2 4.38Å; K47-W104 HydrophobicContact CB-CE3 3.38Å; K47-W104 HydrophobicContact CB-CZ3 3.92Å; K47-W104 HydrophobicContact CD-CB 3.46Å; K47-W104 VanDerWaalsContact CD-CB 3.46Å; K47-W104 HydrophobicContact CD-CD2 4.15Å; K47-W104 HydrophobicContact CD-CE3 3.93Å; K47-W104 HydrophobicContact CD-CG 4.03Å; K47-W104 HydrophobicContact CG-CE3 4.3Å; K47-C105 WeakPolarHBondContact CB-O 3.06Å; K47-H117 WeakPolarHBondContact CE-NE2 3.33Å; K47-H117 PolarHBondContact NZ-CD2 2.95Å; K47-H117 PolarHBondContact NZ-NE2 3.14Å
48	L	90.1	Very high	90.6	Very high	7 Å²	7	49 Å²	49	4%	0.037	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-69.5	136.2	177.9	-66.2	-176.6	0	0	0	110.7	D62 G65 K67 W104 C105 K107	L48-D62 HydrophobicContact CB-CB 4.38Å; L48-G65 WeakPolarHBondContact CD2-O 3.3Å; L48-K67 WeakPolarHBondContact CA-O 3.43Å; L48-K67 WeakPolarHBondContact CD2-O 3.42Å; L48-W104 WeakPolarHBondContact O-CZ3 3.43Å; L48-C105 HydrophobicContact CB-CB 4.39Å; L48-C105 HydrophobicContact CD1-CB 3.91Å; L48-C105 HydrophobicContact CG-CB 4.36Å; L48-C105 PolarHBondContact N-O 3.03Å; L48-K107 HydrophobicContact CD2-CG 4.4Å
49	N	93.1	Very high	90.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.			trans	-56.7	149.8	174.6	-68.4	-14.6	0	0	0	110.4	P61 D62 K67 S68 C69 Y79	N49-P61 CarbonylContact O-C 3.59Å; N49-D62 WeakPolarHBondContact O-CB 3.33Å; N49-D62 PolarHBondContact O-N 2.87Å; N49-K67 PolarHBondContact N-O 2.03Å; N49-K67 VanDerWaalsContact N-O 3.08Å; N49-S68 PolarHBondContact ND2-O 3.3Å; N49-S68 WeakPolarHBondContact OD1-CA 3.3Å; N49-S68 PolarHBondContact OD1-O 3.42Å; N49-C69 PolarHBondContact OD1-N 3.34Å; N49-Y79 HydrophobicContact CB-CE1 3.59Å; N49-Y79 HydrophobicContact CB-CE2 4.33Å; N49-Y79 VanDerWaalsContact CB-CZ 3.5Å; N49-Y79 VanDerWaalsContact CB-OH 3.31Å; N49-Y79 WeakPolarHBondContact CB-OH 3.41Å
50	M	92.2	Very high	90.8	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148.2	177.7	-58.1	-70.3	-62.4	0	0	108.8	V41 A42 W59 E60 P61 I101 W104	V41-M50 CarbonylContact C-O 3.58Å; V41-M50 WeakPolarHBondContact CA-O 3.25Å; A42-M50 HydrophobicContact CB-CB 4.36Å; A42-M50 PolarHBondContact N-O 3.17Å; A42-M50 PolarHBondContact O-N 3.19Å; M50-W59 HydrophobicContact CB-CE3 3.76Å; M50-W59 HydrophobicContact CB-CZ3 4.3Å; M50-W59 HydrophobicContact CE-CB 3.86Å; M50-E60 CarbonylContact C-O 3.54Å; M50-E60 VanDerWaalsContact CA-O 3.3Å; M50-E60 WeakPolarHBondContact CA-O 3.43Å; M50-P61 VanDerWaalsContact SD-CA 3.58Å; M50-P61 HydrophobicContact SD-CB 3.85Å; M50-I101 HydrophobicContact CE-CG2 4.11Å; M50-I101 HydrophobicContact CG-CG2 4.25Å; M50-W104 HydrophobicContact CB-CZ2 4.38Å; M50-W104 HydrophobicContact CG-CD2 3.86Å; M50-W104 HydrophobicContact CG-CE3 4.01Å; M50-W104 HydrophobicContact CG-CH2 3.83Å; M50-W104 HydrophobicContact CG-CZ2 3.65Å; M50-W104 HydrophobicContact CG-CZ3 4.04Å; M50-W104 HydrophobicContact SD-CD2 4.44Å
51	H	93.5	Very high	90.6	Very high	18 Å²	18	50 Å²	50	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.6	173.4	72.8	93.7	0	0	0	110.1	Q40 V41 W59 E60 M83	Q40-H51 WeakPolarHBondContact O-CA 3.37Å; V41-H51 HydrophobicContact CG1-CB 4.13Å; H51-W59 CarbonylContact O-C 3.45Å; H51-W59 WeakPolarHBondContact O-CA 3.28Å; H51-E60 PolarHBondContact CD2-O 2.8Å; H51-E60 VanDerWaalsContact CD2-O 3.29Å; H51-E60 IonicContact CE1-OE2 2.97Å; H51-E60 PolarHBondContact N-O 3.47Å; H51-E60 PolarHBondContact O-N 2.87Å; H51-M83 HydrophobicContact CB-CE 4.21Å; H51-M83 HydrophobicContact CB-CG 4.44Å; H51-M83 WeakPolarHBondContact CD2-CE 3.39Å; H51-M83 VanDerWaalsContact CG-CE 3.48Å; H51-M83 VanDerWaalsContact NE2-CE 3.31Å; H51-M83 WeakPolarHBondContact NE2-CE 3.42Å
52	V	94.2	Very high	90.3	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.3	174.7	178.3	0	0	0	0	109.2	V37 Q40 I54 W59 Y84	V37-V52 HydrophobicContact CB-CG1 4.41Å; V37-V52 HydrophobicContact CG1-CG1 3.58Å; Q40-V52 HydrophobicContact CB-CG2 3.89Å; Q40-V52 PolarHBondContact O-N 3.21Å; V52-I54 PolarHBondContact O-N 3.02Å; V52-W59 HydrophobicContact CG2-CD2 3.82Å; V52-W59 HydrophobicContact CG2-CE3 3.78Å; V52-W59 HydrophobicContact CG2-CH2 3.63Å; V52-W59 HydrophobicContact CG2-CZ2 3.64Å; V52-W59 HydrophobicContact CG2-CZ3 3.7Å; V52-Y84 PolarHBondContact N-OH 2.9Å; V52-Y84 WeakPolarHBondContact O-CE1 3.32Å; V52-Y84 PolarHBondContact O-OH 3.49Å
53	N	90.6	Very high	89.9	Confident	34 Å²	34	55 Å²	55	18%	0.182	30%	0.298	C	S	.	.			trans	-77.2	110.2	168.3	-177.1	-38.4	0	0	0	108.5	Q55 T56 G57 R58 E60	N53-Q55 PolarHBondContact O-N 2.96Å; N53-Q55 VanDerWaalsContact O-N 3.1Å; N53-Q55 WeakPolarHBondContact OD1-CB 3.5Å; N53-Q55 PolarHBondContact OD1-N 2.9Å; N53-T56 WeakPolarHBondContact CB-OG1 3.37Å; N53-T56 PolarHBondContact O-N 3.39Å; N53-T56 VanDerWaalsContact O-N 3.11Å; N53-T56 PolarHBondContact OD1-N 3.11Å; N53-G57 WeakPolarHBondContact O-CA 3.45Å; N53-G57 PolarHBondContact O-N 3.07Å; N53-R58 PolarHBondContact N-O 3.24Å; N53-E60 HydrophobicContact CB-CG 4.32Å; N53-E60 PolarHBondContact ND2-OE1 3.31Å; N53-E60 VanDerWaalsContact ND2-OE1 3.07Å; N53-E60 PolarHBondContact ND2-OE2 3.05Å; N53-E60 VanDerWaalsContact ND2-OE2 3.13Å
54	I	88	Confident	89.6	Confident	66 Å²	66	57.2 Å²	57.2	34%	0.338	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.1	-175.1	60	175.1	0	0	0	114	V37 P39 V52 Y84 L87	V37-I54 WeakPolarHBondContact O-CG2 3.36Å; P39-I54 HydrophobicContact CB-CG2 4.21Å; V52-I54 PolarHBondContact O-N 3.02Å; I54-Y84 HydrophobicContact CG2-CD1 4.34Å; I54-Y84 HydrophobicContact CG2-CE1 3.95Å; I54-L87 HydrophobicContact CD1-CD1 4.5Å
55	Q	85.6	Confident	89.4	Confident	177 Å²	177	55.1 Å²	55.1	83%	0.827	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-32.7	177.9	-60	179.2	7.9	0	0	112.3	N53	N53-Q55 PolarHBondContact O-N 2.96Å; N53-Q55 VanDerWaalsContact O-N 3.1Å; N53-Q55 WeakPolarHBondContact OD1-CB 3.5Å; N53-Q55 PolarHBondContact OD1-N 2.9Å
56	T	87.3	Confident	89.3	Confident	74 Å²	74	54.6 Å²	54.6	45%	0.454	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-13.2	-173.5	70.5	0	0	0	0	113.7	N53 R58	N53-T56 WeakPolarHBondContact CB-OG1 3.37Å; N53-T56 PolarHBondContact O-N 3.39Å; N53-T56 VanDerWaalsContact O-N 3.11Å; N53-T56 PolarHBondContact OD1-N 3.11Å; T56-R58 PolarHBondContact O-N 3.13Å; T56-R58 PolarHBondContact OG1-N 3.39Å
57	G	86.9	Confident	89.5	Confident	31 Å²	31	55.4 Å²	55.4	32%	0.32	30%	0.296	S	S	.	.			trans	66.6	7.9	-173.2	0	0	0	0	0	115	N53	N53-G57 WeakPolarHBondContact O-CA 3.45Å; N53-G57 PolarHBondContact O-N 3.07Å
58	R	89.8	Confident	89.5	Confident	187 Å²	187	55.6 Å²	55.6	71%	0.706	30%	0.301	S	S	*	.			trans	-92.7	147.5	-175.3	-65.6	-173	-178.9	-137	0.3	112	N53 T56 E60	N53-R58 PolarHBondContact N-O 3.24Å; T56-R58 PolarHBondContact O-N 3.13Å; T56-R58 PolarHBondContact OG1-N 3.39Å; R58-E60 PolarHBondContact O-N 2.72Å
59	W	91.4	Very high	89.5	Confident	64 Å²	64	57.3 Å²	57.3	24%	0.242	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	120.6	171.2	-71.6	99.4	0	0	0	110.8	Q40 A42 M50 H51 V52 I101 P121	Q40-W59 HydrophobicContact CB-CH2 3.92Å; A42-W59 HydrophobicContact CB-CE3 4.34Å; A42-W59 HydrophobicContact CB-CH2 3.8Å; A42-W59 HydrophobicContact CB-CZ3 3.6Å; M50-W59 HydrophobicContact CB-CE3 3.76Å; M50-W59 HydrophobicContact CB-CZ3 4.3Å; M50-W59 HydrophobicContact CE-CB 3.86Å; H51-W59 CarbonylContact O-C 3.45Å; H51-W59 WeakPolarHBondContact O-CA 3.28Å; V52-W59 HydrophobicContact CG2-CD2 3.82Å; V52-W59 HydrophobicContact CG2-CE3 3.78Å; V52-W59 HydrophobicContact CG2-CH2 3.63Å; V52-W59 HydrophobicContact CG2-CZ2 3.64Å; V52-W59 HydrophobicContact CG2-CZ3 3.7Å; W59-I101 HydrophobicContact CB-CG2 3.97Å; W59-I101 HydrophobicContact CD2-CD1 3.62Å; W59-I101 HydrophobicContact CD2-CG1 4.03Å; W59-I101 HydrophobicContact CD2-CG2 4.36Å; W59-I101 HydrophobicContact CE3-CD1 3.82Å; W59-I101 HydrophobicContact CG-CD1 4.23Å; W59-I101 HydrophobicContact CG-CG1 4.17Å; W59-I101 HydrophobicContact CG-CG2 3.95Å; W59-I101 HydrophobicContact CH2-CD1 3.95Å; W59-I101 HydrophobicContact CZ2-CD1 3.75Å; W59-I101 HydrophobicContact CZ2-CG1 4.36Å; W59-I101 HydrophobicContact CZ3-CD1 3.97Å; W59-P121 HydrophobicContact CH2-CB 3.79Å; W59-P121 HydrophobicContact CZ2-CB 4.26Å
60	E	91.2	Very high	89.3	Confident	69 Å²	69	59.7 Å²	59.7	32%	0.322	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.7	178	-69.3	178.6	176	0	0	109.9	M50 H51 N53 R58	M50-E60 CarbonylContact C-O 3.54Å; M50-E60 VanDerWaalsContact CA-O 3.3Å; M50-E60 WeakPolarHBondContact CA-O 3.43Å; H51-E60 PolarHBondContact CD2-O 2.8Å; H51-E60 VanDerWaalsContact CD2-O 3.29Å; H51-E60 IonicContact CE1-OE2 2.97Å; H51-E60 PolarHBondContact N-O 3.47Å; H51-E60 PolarHBondContact O-N 2.87Å; N53-E60 HydrophobicContact CB-CG 4.32Å; N53-E60 PolarHBondContact ND2-OE1 3.31Å; N53-E60 VanDerWaalsContact ND2-OE1 3.07Å; N53-E60 PolarHBondContact ND2-OE2 3.05Å; N53-E60 VanDerWaalsContact ND2-OE2 3.13Å; R58-E60 PolarHBondContact O-N 2.72Å
61	P	90.8	Very high	88.8	Confident	45 Å²	45	63.6 Å²	63.6	29%	0.292	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	156.5	177.3	32.8	-36.5	0	0	0	111.6	N49 M50 P63 C105	N49-P61 CarbonylContact O-C 3.59Å; M50-P61 VanDerWaalsContact SD-CA 3.58Å; M50-P61 HydrophobicContact SD-CB 3.85Å; P61-P63 VanDerWaalsContact O-N 3.14Å; P61-C105 HydrophobicContact CB-CB 4.38Å; P61-C105 WeakPolarHBondContact CB-SG 3.45Å; P61-C105 VanDerWaalsContact CG-SG 3.54Å
62	D	89.6	Confident	88.7	Confident	7 Å²	7	66.6 Å²	66.6	4%	0.037	39%	0.389	C	S	.	.			trans	-43.4	118.2	175.1	179.1	-115.7	0	0	0	111.7	L48 N49 S64 G65 T66 K67 Y79	L48-D62 HydrophobicContact CB-CB 4.38Å; N49-D62 WeakPolarHBondContact O-CB 3.33Å; N49-D62 PolarHBondContact O-N 2.87Å; D62-S64 PolarHBondContact O-N 2.97Å; D62-S64 VanDerWaalsContact OD1-CB 3.3Å; D62-S64 WeakPolarHBondContact OD1-CB 3.38Å; D62-S64 PolarHBondContact OD1-N 3.15Å; D62-G65 PolarHBondContact O-N 3.39Å; D62-G65 PolarHBondContact OD1-N 3.06Å; D62-T66 PolarHBondContact OD1-N 3.07Å; D62-K67 HydrophobicContact CB-CB 4.39Å; D62-K67 WeakPolarHBondContact OD1-CB 3.47Å; D62-K67 WeakPolarHBondContact OD1-CG 3.34Å; D62-K67 PolarHBondContact OD1-N 2.95Å; D62-K67 VanDerWaalsContact OD1-N 3.1Å; D62-K67 WeakPolarHBondContact OD2-CB 3.32Å; D62-K67 WeakPolarHBondContact OD2-CG 3.31Å; D62-Y79 WeakPolarHBondContact CB-OH 3.49Å; D62-Y79 WeakPolarHBondContact OD2-CE2 3.38Å; D62-Y79 PolarHBondContact OD2-OH 2.7Å
63	P	87.4	Confident	88.4	Confident	97 Å²	97	68.6 Å²	68.6	63%	0.63	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.1	-175.1	25	-33.8	0	0	0	111.9	P61 G65 M83	P61-P63 VanDerWaalsContact O-N 3.14Å; P63-G65 PolarHBondContact O-N 3.14Å; P63-M83 VanDerWaalsContact CD-SD 3.56Å; P63-M83 HydrophobicContact CG-CE 3.78Å; P63-M83 HydrophobicContact CG-SD 3.99Å
64	S	86.2	Confident	88.5	Confident	75 Å²	75	72 Å²	72	52%	0.524	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.9	176.2	-58.8	0	0	0	0	113	D62 T66	D62-S64 PolarHBondContact O-N 2.97Å; D62-S64 VanDerWaalsContact OD1-CB 3.3Å; D62-S64 WeakPolarHBondContact OD1-CB 3.38Å; D62-S64 PolarHBondContact OD1-N 3.15Å; S64-T66 WeakPolarHBondContact O-CG2 3.34Å; S64-T66 PolarHBondContact O-N 3.28Å; S64-T66 VanDerWaalsContact O-N 3.08Å; S64-T66 PolarHBondContact O-OG1 3.32Å
65	G	85.7	Confident	88.7	Confident	27 Å²	27	69.4 Å²	69.4	28%	0.278	40%	0.402	S	S	.	.	S	Bend	trans	63.9	13.8	177.2	0	0	0	0	0	114.8	L48 D62 P63	L48-G65 WeakPolarHBondContact CD2-O 3.3Å; D62-G65 PolarHBondContact O-N 3.39Å; D62-G65 PolarHBondContact OD1-N 3.06Å; P63-G65 PolarHBondContact O-N 3.14Å
66	T	86.2	Confident	89.1	Confident	77 Å²	77	61 Å²	61	47%	0.472	36%	0.363	S	S	.	.			trans	-136.4	-25.8	-168.4	50.3	0	0	0	0	114	D62 S64	D62-T66 PolarHBondContact OD1-N 3.07Å; S64-T66 WeakPolarHBondContact O-CG2 3.34Å; S64-T66 PolarHBondContact O-N 3.28Å; S64-T66 VanDerWaalsContact O-N 3.08Å; S64-T66 PolarHBondContact O-OG1 3.32Å
67	K	90.1	Very high	89.4	Confident	74 Å²	74	58.4 Å²	58.4	32%	0.322	35%	0.346	S	S	.	.			trans	-75	134.3	-178.5	-54.3	-75.9	-168.3	148.7	0	110.1	L48 N49 D62 Y79 E82	L48-K67 WeakPolarHBondContact CA-O 3.43Å; L48-K67 WeakPolarHBondContact CD2-O 3.42Å; N49-K67 PolarHBondContact N-O 2.03Å; N49-K67 VanDerWaalsContact N-O 3.08Å; D62-K67 HydrophobicContact CB-CB 4.39Å; D62-K67 WeakPolarHBondContact OD1-CB 3.47Å; D62-K67 WeakPolarHBondContact OD1-CG 3.34Å; D62-K67 PolarHBondContact OD1-N 2.95Å; D62-K67 VanDerWaalsContact OD1-N 3.1Å; D62-K67 WeakPolarHBondContact OD2-CB 3.32Å; D62-K67 WeakPolarHBondContact OD2-CG 3.31Å; K67-Y79 HydrophobicContact CB-CD2 4.4Å; K67-Y79 HydrophobicContact CB-CE2 3.79Å; K67-Y79 HydrophobicContact CG-CD2 4.47Å; K67-Y79 HydrophobicContact CG-CE2 3.98Å; K67-E82 VanDerWaalsContact CE-OE2 3.3Å; K67-E82 WeakPolarHBondContact CE-OE2 3.48Å; K67-E82 IonicContact NZ-OE1 2.95Å; K67-E82 PolarHBondContact NZ-OE1 2.91Å; K67-E82 IonicContact NZ-OE2 3.46Å; K67-E82 PolarHBondContact NZ-OE2 3.35Å
68	S	89.8	Confident	89.8	Confident	31 Å²	31	62.3 Å²	62.3	22%	0.217	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-131.2	177.8	-179.6	170.2	0	0	0	0	108.3	K47 N49 V70	K47-S68 WeakPolarHBondContact O-CB 3.46Å; K47-S68 PolarHBondContact O-OG 2.98Å; N49-S68 PolarHBondContact ND2-O 3.3Å; N49-S68 WeakPolarHBondContact OD1-CA 3.3Å; N49-S68 PolarHBondContact OD1-O 3.42Å; S68-V70 PolarHBondContact O-N 3.24Å
69	C	88.9	Confident	90	Very high	42 Å²	42	53.7 Å²	53.7	28%	0.284	32%	0.323	S	S	.	.			trans	-43.7	136.5	-176.4	76.2	0	0	0	0	113.2	M43 C45 N49	M43-C69 HydrophobicContact CB-CB 4.07Å; C45-C69 WeakPolarHBondContact CA-SG 3.32Å; C45-C69 HydrophobicContact CB-CB 3.99Å; C45-C69 WeakPolarHBondContact CB-SG 3.3Å; C45-C69 WeakPolarHBondContact SG-CB 3.45Å; C45-C69 CovalentContact SG-SG 2.04Å; C45-C69 PolarHBondContact SG-SG 3.49Å; N49-C69 PolarHBondContact OD1-N 3.34Å
70	V	89.6	Confident	90.2	Very high	50 Å²	50	50.6 Å²	50.6	30%	0.303	31%	0.311	S	S	.	.			trans	-106.7	132.4	179.5	-170.4	0	0	0	0	108.1	M43 S68 V76	M43-V70 HydrophobicContact CE-CB 4.16Å; M43-V70 HydrophobicContact CE-CG2 3.84Å; M43-V70 HydrophobicContact SD-CB 3.87Å; M43-V70 HydrophobicContact SD-CG2 3.93Å; M43-V70 PolarHBondContact SD-N 3.27Å; S68-V70 PolarHBondContact O-N 3.24Å; V70-V76 HydrophobicContact CB-CG2 4.47Å
71	G	81.9	Confident	90.4	Very high	86 Å²	86	51.7 Å²	51.7	89%	0.887	32%	0.316	S	S	*	.	S	Bend	trans	-83.4	-10.8	-173.4	0	0	0	0	0	115
72	T	90.4	Very high	90.5	Very high	80 Å²	80	53.7 Å²	53.7	49%	0.491	32%	0.322	S	S	.	.	S	Bend	trans	-123.2	146.3	-175.8	60.4	0	0	0	0	110.7	E74 G75 V76	T72-E74 VanDerWaalsContact C-N 3.32Å; T72-E74 WeakPolarHBondContact CB-OE2 3.5Å; T72-E74 PolarHBondContact O-N 2.98Å; T72-G75 PolarHBondContact O-N 3.26Å; T72-G75 VanDerWaalsContact O-N 3.14Å; T72-G75 PolarHBondContact OG1-N 3.06Å; T72-V76 PolarHBondContact O-N 3.17Å; T72-V76 VanDerWaalsContact O-N 3.12Å
73	K	89.1	Confident	90.7	Very high	48 Å²	48	54.6 Å²	54.6	21%	0.209	33%	0.326	C	S	.	.	H	α-helix	trans	-68.7	-33.9	-176.8	-60.8	-70.6	-179.3	154.2	0	111.7	G75 V76 L77 E94 Y122 I183 D184	K73-G75 VanDerWaalsContact C-N 3.25Å; K73-G75 PolarHBondContact O-N 3.04Å; K73-V76 WeakPolarHBondContact O-CB 3.5Å; K73-V76 PolarHBondContact O-N 2.8Å; K73-V76 VanDerWaalsContact O-N 3.1Å; K73-L77 PolarHBondContact O-N 3.1Å; K73-E94 VanDerWaalsContact NZ-CD 3.33Å; K73-E94 IonicContact NZ-OE1 3.57Å; K73-E94 PolarHBondContact NZ-OE1 3.16Å; K73-Y122 HydrophobicContact CD-CE1 3.71Å; K73-Y122 WeakPolarHBondContact CE-OH 3.4Å; K73-Y122 VanDerWaalsContact NZ-CE1 3.26Å; K73-Y122 PolarHBondContact NZ-OH 2.86Å; K73-I183 HydrophobicContact CB-CG2 3.95Å; K73-D184 HydrophobicContact CD-CB 4.19Å; K73-D184 WeakPolarHBondContact CD-OD2 3.37Å; K73-D184 WeakPolarHBondContact CE-OD2 3.43Å; K73-D184 HydrophobicContact CG-CB 4.31Å; K73-D184 IonicContact NZ-OD2 3.76Å; K73-D184 PolarHBondContact NZ-OD2 2.62Å
74	E	91.6	Very high	91.1	Very high	104 Å²	104	50.5 Å²	50.5	49%	0.486	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-39.2	172.1	-58.4	69.6	-154.1	0	0	111	T72 V76 L77 Q78 I183	T72-E74 VanDerWaalsContact C-N 3.32Å; T72-E74 WeakPolarHBondContact CB-OE2 3.5Å; T72-E74 PolarHBondContact O-N 2.98Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-L77 PolarHBondContact O-N 3.29Å; E74-Q78 PolarHBondContact O-N 2.88Å; E74-I183 HydrophobicContact CB-CD1 4.42Å; E74-I183 HydrophobicContact CG-CD1 3.8Å
75	G	93.4	Very high	91.4	Very high	13 Å²	13	51.5 Å²	51.5	13%	0.134	30%	0.303	C	S	.	.	H	α-helix	trans	-73.2	-27.3	177.2	0	0	0	0	0	112.9	T72 K73 Y79	T72-G75 PolarHBondContact O-N 3.26Å; T72-G75 VanDerWaalsContact O-N 3.14Å; T72-G75 PolarHBondContact OG1-N 3.06Å; K73-G75 VanDerWaalsContact C-N 3.25Å; K73-G75 PolarHBondContact O-N 3.04Å; G75-Y79 WeakPolarHBondContact O-CB 3.5Å; G75-Y79 PolarHBondContact O-N 3Å
76	V	93.8	Very high	91.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	33%	0.331	C	S	.	.	H	α-helix	trans	-68.6	-44.2	169.3	-179.5	0	0	0	0	110.7	V41 M43 V70 T72 K73 E74 Q78 Y79 C80 V92 Y122	V41-V76 HydrophobicContact CG2-CG1 4.07Å; M43-V76 HydrophobicContact CE-CB 4.16Å; M43-V76 HydrophobicContact CE-CG1 3.99Å; M43-V76 HydrophobicContact CE-CG2 3.81Å; M43-V76 HydrophobicContact SD-CG2 3.99Å; V70-V76 HydrophobicContact CB-CG2 4.47Å; T72-V76 PolarHBondContact O-N 3.17Å; T72-V76 VanDerWaalsContact O-N 3.12Å; K73-V76 WeakPolarHBondContact O-CB 3.5Å; K73-V76 PolarHBondContact O-N 2.8Å; K73-V76 VanDerWaalsContact O-N 3.1Å; E74-V76 VanDerWaalsContact C-N 3.34Å; V76-Q78 VanDerWaalsContact C-N 3.34Å; V76-Q78 PolarHBondContact O-N 3.05Å; V76-Y79 WeakPolarHBondContact O-CB 2.86Å; V76-Y79 PolarHBondContact O-N 3.05Å; V76-Y79 VanDerWaalsContact O-N 3.11Å; V76-C80 PolarHBondContact O-N 2.78Å; V76-V92 HydrophobicContact CB-CG2 4.45Å; V76-V92 HydrophobicContact CG1-CB 4.47Å; V76-V92 HydrophobicContact CG1-CG1 4.31Å; V76-V92 HydrophobicContact CG1-CG2 4.37Å; V76-Y122 HydrophobicContact CG1-CD1 3.84Å; V76-Y122 HydrophobicContact CG1-CD2 3.92Å; V76-Y122 HydrophobicContact CG1-CE1 4.33Å; V76-Y122 HydrophobicContact CG1-CE2 4.44Å; V76-Y122 HydrophobicContact CG1-CG 3.59Å; V76-Y122 HydrophobicContact CG2-CD2 4.48Å; V76-Y122 HydrophobicContact CG2-CE1 4.43Å; V76-Y122 HydrophobicContact CG2-CE2 4.22Å
77	L	93.8	Very high	91.9	Very high	19 Å²	19	56.6 Å²	56.6	10%	0.099	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-46.1	174.8	175.5	61.1	0	0	0	111.5	K73 E74 Y79 C80 Q81 I89 V92 I183	K73-L77 PolarHBondContact O-N 3.1Å; E74-L77 PolarHBondContact O-N 3.29Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 2.8Å; L77-C80 WeakPolarHBondContact O-CB 3.35Å; L77-C80 PolarHBondContact O-N 3.29Å; L77-Q81 HydrophobicContact CD1-CG 4.49Å; L77-Q81 WeakPolarHBondContact O-CG 3.45Å; L77-Q81 PolarHBondContact O-N 2.83Å; L77-I89 HydrophobicContact CD1-CG2 3.69Å; L77-V92 HydrophobicContact CB-CG1 4.07Å; L77-V92 HydrophobicContact CB-CG2 4.2Å; L77-V92 HydrophobicContact CD1-CG1 4.01Å; L77-I183 HydrophobicContact CD2-CD1 3.96Å; L77-I183 HydrophobicContact CD2-CG1 4.2Å
78	Q	94.6	Very high	91.9	Very high	112 Å²	112	60.5 Å²	60.5	52%	0.523	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-40.5	174.9	-173.2	179.6	-5.7	0	0	111.6	E74 V76 Q81 E82	E74-Q78 PolarHBondContact O-N 2.88Å; V76-Q78 VanDerWaalsContact C-N 3.34Å; V76-Q78 PolarHBondContact O-N 3.05Å; Q78-Q81 PolarHBondContact O-N 3.39Å; Q78-E82 PolarHBondContact NE2-OE1 3.24Å; Q78-E82 WeakPolarHBondContact O-CG 3.4Å; Q78-E82 PolarHBondContact O-N 2.99Å
79	Y	95.3	Very high	92.1	Very high	6 Å²	6	59.4 Å²	59.4	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-41	176.4	-173.6	-110.5	0	0	0	112.6	V41 M43 N49 D62 K67 G75 V76 L77 Q81 E82 M83	V41-Y79 HydrophobicContact CB-CD1 4.02Å; V41-Y79 HydrophobicContact CB-CE1 4.04Å; V41-Y79 HydrophobicContact CG1-CD1 3.91Å; V41-Y79 HydrophobicContact CG1-CE1 3.89Å; V41-Y79 HydrophobicContact CG2-CD1 4.22Å; M43-Y79 HydrophobicContact CE-CD1 3.65Å; M43-Y79 HydrophobicContact CE-CE1 4.48Å; M43-Y79 HydrophobicContact CE-CG 4.05Å; N49-Y79 HydrophobicContact CB-CE1 3.59Å; N49-Y79 HydrophobicContact CB-CE2 4.33Å; N49-Y79 VanDerWaalsContact CB-CZ 3.5Å; N49-Y79 VanDerWaalsContact CB-OH 3.31Å; N49-Y79 WeakPolarHBondContact CB-OH 3.41Å; D62-Y79 WeakPolarHBondContact CB-OH 3.49Å; D62-Y79 WeakPolarHBondContact OD2-CE2 3.38Å; D62-Y79 PolarHBondContact OD2-OH 2.7Å; K67-Y79 HydrophobicContact CB-CD2 4.4Å; K67-Y79 HydrophobicContact CB-CE2 3.79Å; K67-Y79 HydrophobicContact CG-CD2 4.47Å; K67-Y79 HydrophobicContact CG-CE2 3.98Å; G75-Y79 WeakPolarHBondContact O-CB 3.5Å; G75-Y79 PolarHBondContact O-N 3Å; V76-Y79 WeakPolarHBondContact O-CB 2.86Å; V76-Y79 PolarHBondContact O-N 3.05Å; V76-Y79 VanDerWaalsContact O-N 3.11Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 2.8Å; Y79-Q81 VanDerWaalsContact C-N 3.33Å; Y79-Q81 PolarHBondContact O-N 3.19Å; Y79-E82 PolarHBondContact O-N 3.1Å; Y79-M83 HydrophobicContact CD1-CG 4.23Å; Y79-M83 HydrophobicContact CD2-CG 4.31Å; Y79-M83 HydrophobicContact CE1-CG 3.74Å; Y79-M83 HydrophobicContact CE2-CG 3.82Å; Y79-M83 HydrophobicContact CE2-SD 4.07Å; Y79-M83 HydrophobicContact CG-CG 4.49Å; Y79-M83 VanDerWaalsContact CZ-CG 3.49Å; Y79-M83 WeakPolarHBondContact O-CB 3.46Å; Y79-M83 WeakPolarHBondContact O-CG 3.28Å; Y79-M83 PolarHBondContact O-N 3.07Å
80	C	95.2	Very high	92.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-44.3	172.2	-79.6	0	0	0	0	111.8	V76 L77 M83 Y84 I89 V92 C124	V76-C80 PolarHBondContact O-N 2.78Å; L77-C80 WeakPolarHBondContact O-CB 3.35Å; L77-C80 PolarHBondContact O-N 3.29Å; C80-M83 PolarHBondContact O-N 2.96Å; C80-Y84 WeakPolarHBondContact O-CD2 3.42Å; C80-Y84 PolarHBondContact O-N 3.41Å; C80-I89 HydrophobicContact CB-CG1 4.48Å; C80-I89 HydrophobicContact CB-CG2 3.95Å; C80-V92 HydrophobicContact CB-CG1 4.25Å; C80-V92 VanDerWaalsContact SG-CG1 3.52Å; C80-C124 HydrophobicContact CB-CB 3.66Å; C80-C124 WeakPolarHBondContact CB-SG 3.06Å; C80-C124 WeakPolarHBondContact SG-CB 2.76Å; C80-C124 CovalentContact SG-SG 2.04Å; C80-C124 PolarHBondContact SG-SG 3.06Å
81	Q	94.9	Very high	92.2	Very high	91 Å²	91	58.6 Å²	58.6	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-37.1	178.3	-71.1	171.5	-15.2	0	0	112.4	L77 Q78 Y79 I89	L77-Q81 HydrophobicContact CD1-CG 4.49Å; L77-Q81 WeakPolarHBondContact O-CG 3.45Å; L77-Q81 PolarHBondContact O-N 2.83Å; Q78-Q81 PolarHBondContact O-N 3.39Å; Y79-Q81 VanDerWaalsContact C-N 3.33Å; Y79-Q81 PolarHBondContact O-N 3.19Å; Q81-I89 HydrophobicContact CG-CB 3.94Å; Q81-I89 PolarHBondContact NE2-O 2.99Å; Q81-I89 VanDerWaalsContact NE2-O 3.08Å
82	E	93.9	Very high	92.7	Very high	88 Å²	88	54.5 Å²	54.5	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-67.5	-37.2	174.1	-74.4	178.9	-167.3	0	0	112.1	K67 Q78 Y79	K67-E82 VanDerWaalsContact CE-OE2 3.3Å; K67-E82 WeakPolarHBondContact CE-OE2 3.48Å; K67-E82 IonicContact NZ-OE1 2.95Å; K67-E82 PolarHBondContact NZ-OE1 2.91Å; K67-E82 IonicContact NZ-OE2 3.46Å; K67-E82 PolarHBondContact NZ-OE2 3.35Å; Q78-E82 PolarHBondContact NE2-OE1 3.24Å; Q78-E82 WeakPolarHBondContact O-CG 3.4Å; Q78-E82 PolarHBondContact O-N 2.99Å; Y79-E82 PolarHBondContact O-N 3.1Å
83	M	93.9	Very high	92.7	Very high	25 Å²	25	51 Å²	51	12%	0.123	26%	0.259	C	S	.	.	H	α-helix	trans	-81.4	-30.2	-177	-75	-51.6	-39.7	0	0	114.2	H51 P63 Y79 C80 P85	H51-M83 HydrophobicContact CB-CE 4.21Å; H51-M83 HydrophobicContact CB-CG 4.44Å; H51-M83 WeakPolarHBondContact CD2-CE 3.39Å; H51-M83 VanDerWaalsContact CG-CE 3.48Å; H51-M83 VanDerWaalsContact NE2-CE 3.31Å; H51-M83 WeakPolarHBondContact NE2-CE 3.42Å; P63-M83 VanDerWaalsContact CD-SD 3.56Å; P63-M83 HydrophobicContact CG-CE 3.78Å; P63-M83 HydrophobicContact CG-SD 3.99Å; Y79-M83 HydrophobicContact CD1-CG 4.23Å; Y79-M83 HydrophobicContact CD2-CG 4.31Å; Y79-M83 HydrophobicContact CE1-CG 3.74Å; Y79-M83 HydrophobicContact CE2-CG 3.82Å; Y79-M83 HydrophobicContact CE2-SD 4.07Å; Y79-M83 HydrophobicContact CG-CG 4.49Å; Y79-M83 VanDerWaalsContact CZ-CG 3.49Å; Y79-M83 WeakPolarHBondContact O-CB 3.46Å; Y79-M83 WeakPolarHBondContact O-CG 3.28Å; Y79-M83 PolarHBondContact O-N 3.07Å; C80-M83 PolarHBondContact O-N 2.96Å; M83-P85 WeakPolarHBondContact O-CD 3.32Å
84	Y	94.7	Very high	92.7	Very high	12 Å²	12	50.2 Å²	50.2	5%	0.047	26%	0.256	C	S	.	.			trans	-122.7	66.6	-179.5	-54.8	-70.4	0	0	0	110.6	P39 Q40 V41 V52 I54 C80 D86 L87 C124	P39-Y84 HydrophobicContact CB-CD1 4.02Å; P39-Y84 HydrophobicContact CB-CD2 3.74Å; P39-Y84 HydrophobicContact CB-CE1 3.87Å; P39-Y84 HydrophobicContact CB-CE2 3.57Å; P39-Y84 HydrophobicContact CB-CG 3.96Å; Q40-Y84 PolarHBondContact N-OH 3.24Å; Q40-Y84 PolarHBondContact O-OH 3.08Å; V41-Y84 HydrophobicContact CG1-CE2 3.95Å; V52-Y84 PolarHBondContact N-OH 2.9Å; V52-Y84 WeakPolarHBondContact O-CE1 3.32Å; V52-Y84 PolarHBondContact O-OH 3.49Å; I54-Y84 HydrophobicContact CG2-CD1 4.34Å; I54-Y84 HydrophobicContact CG2-CE1 3.95Å; C80-Y84 WeakPolarHBondContact O-CD2 3.42Å; C80-Y84 PolarHBondContact O-N 3.41Å; Y84-D86 PolarHBondContact O-N 3.08Å; Y84-L87 HydrophobicContact CD1-CD1 4.36Å; Y84-L87 HydrophobicContact CG-CD1 4.29Å; Y84-L87 PolarHBondContact O-N 2.73Å; Y84-L87 VanDerWaalsContact O-N 3.1Å; Y84-C124 HydrophobicContact CD2-CB 4.39Å; Y84-C124 HydrophobicContact CE2-CB 4.5Å
85	P	92.4	Very high	92.6	Very high	96 Å²	96	45.9 Å²	45.9	62%	0.623	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.7	-174.2	27.8	-36.2	0	0	0	113.3	M83 L87	M83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-L87 VanDerWaalsContact C-N 3.28Å
86	D	90.5	Very high	92.1	Very high	160 Å²	160	48.6 Å²	48.6	86%	0.856	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.3	179.3	-56.7	-40.9	0	0	0	112.6	Y84	Y84-D86 PolarHBondContact O-N 3.08Å
87	L	91.5	Very high	91.6	Very high	51 Å²	51	55.8 Å²	55.8	27%	0.267	28%	0.283	S	S	.	.	S	Bend	trans	-107.4	136.2	179.2	-58	-177.5	0	0	0	110.5	P39 I54 Y84 P85 I89 V126	P39-L87 HydrophobicContact CB-CD1 3.94Å; P39-L87 HydrophobicContact CG-CD1 3.82Å; I54-L87 HydrophobicContact CD1-CD1 4.5Å; Y84-L87 HydrophobicContact CD1-CD1 4.36Å; Y84-L87 HydrophobicContact CG-CD1 4.29Å; Y84-L87 PolarHBondContact O-N 2.73Å; Y84-L87 VanDerWaalsContact O-N 3.1Å; P85-L87 VanDerWaalsContact C-N 3.28Å; L87-I89 VanDerWaalsContact C-N 3.29Å; L87-I89 HydrophobicContact CB-CD1 3.71Å; L87-I89 HydrophobicContact CB-CG1 4.33Å; L87-I89 HydrophobicContact CD1-CD1 4.42Å; L87-I89 PolarHBondContact O-N 3.1Å; L87-V126 HydrophobicContact CB-CG1 4.28Å; L87-V126 HydrophobicContact CB-CG2 4.37Å; L87-V126 HydrophobicContact CD1-CG2 4.12Å
88	K	91.6	Very high	91.4	Very high	156 Å²	156	58.7 Å²	58.7	68%	0.678	30%	0.303	S	S	*	.			trans	-77.9	77.2	175.5	-170.9	-175.6	177.4	-173.2	0	110.3	T90 G127	K88-T90 HydrophobicContact CG-CG2 4.48Å; K88-T90 PolarHBondContact O-N 2.82Å; K88-G127 PolarHBondContact O-N 2.04Å
89	I	92.4	Very high	91.3	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	118	179.4	-49.8	-54.3	0	0	0	110.7	P39 L77 C80 Q81 L87 C124 L125 V126	P39-I89 HydrophobicContact CG-CD1 4.46Å; L77-I89 HydrophobicContact CD1-CG2 3.69Å; C80-I89 HydrophobicContact CB-CG1 4.48Å; C80-I89 HydrophobicContact CB-CG2 3.95Å; Q81-I89 HydrophobicContact CG-CB 3.94Å; Q81-I89 PolarHBondContact NE2-O 2.99Å; Q81-I89 VanDerWaalsContact NE2-O 3.08Å; L87-I89 VanDerWaalsContact C-N 3.29Å; L87-I89 HydrophobicContact CB-CD1 3.71Å; L87-I89 HydrophobicContact CB-CG1 4.33Å; L87-I89 HydrophobicContact CD1-CD1 4.42Å; L87-I89 PolarHBondContact O-N 3.1Å; I89-C124 HydrophobicContact CD1-CB 3.89Å; I89-C124 HydrophobicContact CG1-CB 4.34Å; I89-C124 HydrophobicContact CG2-CB 3.98Å; I89-L125 CarbonylContact C-O 3.21Å; I89-L125 VanDerWaalsContact CA-O 3.32Å; I89-L125 WeakPolarHBondContact CA-O 3.38Å; I89-V126 HydrophobicContact CD1-CG2 3.77Å
90	T	89.5	Confident	91.1	Very high	62 Å²	62	63 Å²	63	38%	0.38	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-30.9	-176.6	55.4	0	0	0	0	113.5	K88 L125 G127	K88-T90 HydrophobicContact CG-CG2 4.48Å; K88-T90 PolarHBondContact O-N 2.82Å; T90-L125 PolarHBondContact N-O 3.5Å; T90-L125 PolarHBondContact OG1-O 3.42Å; T90-G127 WeakPolarHBondContact CB-O 3.02Å; T90-G127 WeakPolarHBondContact CG2-O 3.17Å; T90-G127 PolarHBondContact OG1-O 3.11Å
91	N	91.3	Very high	90.9	Very high	13 Å²	13	63.1 Å²	63.1	7%	0.07	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	172.4	-178.7	-157	-11.4	0	0	0	110.9	L125 D182 I183 D184	N91-L125 HydrophobicContact CB-CB 4.41Å; N91-L125 HydrophobicContact CB-CD1 4.22Å; N91-L125 WeakPolarHBondContact O-CB 3.01Å; N91-L125 PolarHBondContact O-N 3.31Å; N91-D182 PolarHBondContact ND2-O 3.42Å; N91-D182 VanDerWaalsContact ND2-O 3.17Å; N91-I183 VanDerWaalsContact OD1-CA 3.31Å; N91-I183 WeakPolarHBondContact OD1-CA 3.42Å; N91-D184 PolarHBondContact OD1-N 3.1Å; N91-D184 VanDerWaalsContact OD1-N 3.14Å
92	V	92.4	Very high	90.6	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.3	174.7	-67.2	0	0	0	0	110.1	V76 L77 C80 M123 I183 D184	V76-V92 HydrophobicContact CB-CG2 4.45Å; V76-V92 HydrophobicContact CG1-CB 4.47Å; V76-V92 HydrophobicContact CG1-CG1 4.31Å; V76-V92 HydrophobicContact CG1-CG2 4.37Å; L77-V92 HydrophobicContact CB-CG1 4.07Å; L77-V92 HydrophobicContact CB-CG2 4.2Å; L77-V92 HydrophobicContact CD1-CG1 4.01Å; C80-V92 HydrophobicContact CB-CG1 4.25Å; C80-V92 VanDerWaalsContact SG-CG1 3.52Å; V92-M123 VanDerWaalsContact CA-O 3.32Å; V92-M123 WeakPolarHBondContact CA-O 2.8Å; V92-I183 HydrophobicContact CG2-CG2 3.97Å; V92-D184 WeakPolarHBondContact O-CA 3.35Å; V92-D184 PolarHBondContact O-N 3.3Å
93	V	90.7	Very high	90.1	Very high	7 Å²	7	64 Å²	64	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.6	176	65.7	0	0	0	0	110	Y122 M123 L125 H154 F186	V93-Y122 CarbonylContact O-C 3.46Å; V93-Y122 WeakPolarHBondContact O-CA 3.48Å; V93-M123 HydrophobicContact CG1-CB 3.89Å; V93-M123 HydrophobicContact CG1-CE 3.46Å; V93-M123 VanDerWaalsContact CG1-CE 3.46Å; V93-M123 HydrophobicContact CG1-CG 4.44Å; V93-M123 PolarHBondContact N-O 3.02Å; V93-M123 VanDerWaalsContact N-O 3.07Å; V93-M123 PolarHBondContact O-N 2.78Å; V93-L125 HydrophobicContact CB-CD1 4.43Å; V93-L125 HydrophobicContact CG1-CD1 4.17Å; V93-L125 HydrophobicContact CG1-CD2 3.89Å; V93-L125 HydrophobicContact CG1-CG 4.2Å; V93-H154 HydrophobicContact CG2-CB 3.98Å; V93-F186 HydrophobicContact CB-CZ 4.2Å; V93-F186 HydrophobicContact CG2-CE2 3.92Å; V93-F186 HydrophobicContact CG2-CZ 3.97Å
94	E	89.9	Confident	89.7	Confident	30 Å²	30	62.8 Å²	62.8	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.8	170.7	-69.7	-178.2	-179.8	0	0	110.9	K73 V120 Y122 H154 Q155	K73-E94 VanDerWaalsContact NZ-CD 3.33Å; K73-E94 IonicContact NZ-OE1 3.57Å; K73-E94 PolarHBondContact NZ-OE1 3.16Å; E94-V120 HydrophobicContact CB-CG1 4.2Å; E94-Y122 HydrophobicContact CG-CD1 4.04Å; E94-Y122 HydrophobicContact CG-CE1 3.57Å; E94-H154 PolarHBondContact O-CE1 3.37Å; E94-H154 PolarHBondContact O-ND1 2.99Å; E94-Q155 PolarHBondContact OE2-NE2 3.18Å
95	A	88.1	Confident	89.2	Confident	13 Å²	13	62.3 Å²	62.3	11%	0.107	32%	0.32	C	S	.	.			trans	-67.8	151.2	175.5	0	0	0	0	0	112	Q97 V120 P121 M123	A95-Q97 VanDerWaalsContact C-N 3.26Å; A95-Q97 PolarHBondContact O-N 2.87Å; A95-V120 VanDerWaalsContact O-CG1 3.31Å; A95-V120 WeakPolarHBondContact O-CG1 3.3Å; A95-P121 HydrophobicContact CB-CG 3.73Å; A95-P121 WeakPolarHBondContact CB-O 3.32Å; A95-P121 PolarHBondContact N-O 3.49Å; A95-M123 HydrophobicContact CB-CG 4.17Å; A95-M123 HydrophobicContact CB-SD 4.41Å
96	N	84	Confident	88.7	Confident	71 Å²	71	64 Å²	64	38%	0.38	32%	0.317	S	S	.	.	S	Bend	trans	-68.1	-24.8	179.9	-69.6	-20.2	0	0	0	113.6	H154 Y175	N96-H154 PolarHBondContact OD1-CE1 3.18Å; N96-H154 PolarHBondContact OD1-NE2 3.45Å; N96-Y175 HydrophobicContact CB-CE1 4.19Å; N96-Y175 PolarHBondContact ND2-O 2.92Å; N96-Y175 VanDerWaalsContact ND2-O 3.11Å; N96-Y175 WeakPolarHBondContact OD1-CE1 3.4Å; N96-Y175 PolarHBondContact OD1-OH 3.39Å
97	Q	82.6	Confident	87.9	Confident	151 Å²	151	61.3 Å²	61.3	71%	0.706	30%	0.298	S	S	*	.	S	Bend	trans	-127.9	140.8	-176.2	-64.2	-172.8	4.2	0	0	111.7	A95	A95-Q97 VanDerWaalsContact C-N 3.26Å; A95-Q97 PolarHBondContact O-N 2.87Å
98	P	90.5	Very high	86.9	Confident	80 Å²	80	66.6 Å²	66.6	52%	0.519	32%	0.321	S	S	.	.			trans	-72.4	143.9	172.8	31.3	-34.2	0	0	0	110.9	I118 V119 V120	P98-I118 HydrophobicContact CB-CG2 3.7Å; P98-I118 HydrophobicContact CG-CG2 4.36Å; P98-V119 WeakPolarHBondContact CA-O 3.49Å; P98-V120 HydrophobicContact CB-CG2 4.09Å
99	V	91.4	Very high	85.8	Confident	48 Å²	48	65.7 Å²	65.7	29%	0.291	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.3	179.3	-178.8	0	0	0	0	109.7	I101 I118 V119 P121	V99-I101 HydrophobicContact CB-CG1 4.5Å; V99-I101 HydrophobicContact CG1-CG1 4.02Å; V99-I118 WeakPolarHBondContact O-CA 3.31Å; V99-V119 PolarHBondContact N-O 3.31Å; V99-V119 PolarHBondContact O-N 2.86Å; V99-P121 HydrophobicContact CB-CG 4.49Å; V99-P121 HydrophobicContact CG2-CG 3.92Å
100	R	92.2	Very high	84.2	Confident	162 Å²	162	75.4 Å²	75.4	61%	0.611	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	108.8	171.5	-179.9	177.7	159	171.7	-6.4	109.5	E102 A116 H117 I118	R100-E102 IonicContact CZ-OE1 2.69Å; R100-E102 IonicContact NE-OE1 3.83Å; R100-E102 PolarHBondContact NE-OE1 3.13Å; R100-E102 IonicContact NH2-OE1 3.08Å; R100-E102 PolarHBondContact NH2-OE1 2.98Å; R100-A116 HydrophobicContact CG-CB 3.78Å; R100-A116 VanDerWaalsContact NE-CB 3.34Å; R100-H117 WeakPolarHBondContact CA-O 3.25Å; R100-I118 HydrophobicContact CB-CG1 4.18Å; R100-I118 HydrophobicContact CG-CG1 4.36Å
101	I	90.7	Very high	82.9	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.01	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.5	-179.5	-56.7	174.1	0	0	0	109.5	A42 M50 W59 V99 A116 H117 V119	A42-I101 HydrophobicContact CB-CD1 3.36Å; M50-I101 HydrophobicContact CE-CG2 4.11Å; M50-I101 HydrophobicContact CG-CG2 4.25Å; W59-I101 HydrophobicContact CB-CG2 3.97Å; W59-I101 HydrophobicContact CD2-CD1 3.62Å; W59-I101 HydrophobicContact CD2-CG1 4.03Å; W59-I101 HydrophobicContact CD2-CG2 4.36Å; W59-I101 HydrophobicContact CE3-CD1 3.82Å; W59-I101 HydrophobicContact CG-CD1 4.23Å; W59-I101 HydrophobicContact CG-CG1 4.17Å; W59-I101 HydrophobicContact CG-CG2 3.95Å; W59-I101 HydrophobicContact CH2-CD1 3.95Å; W59-I101 HydrophobicContact CZ2-CD1 3.75Å; W59-I101 HydrophobicContact CZ2-CG1 4.36Å; W59-I101 HydrophobicContact CZ3-CD1 3.97Å; V99-I101 HydrophobicContact CB-CG1 4.5Å; V99-I101 HydrophobicContact CG1-CG1 4.02Å; I101-A116 WeakPolarHBondContact O-CA 3.43Å; I101-H117 PolarHBondContact N-O 3.42Å; I101-H117 PolarHBondContact O-N 3.29Å; I101-V119 HydrophobicContact CD1-CG2 3.68Å; I101-V119 HydrophobicContact CG1-CG2 4.3Å
102	E	88.1	Confident	81.9	Confident	100 Å²	100	78.5 Å²	78.5	47%	0.467	38%	0.38	S	S	.	.			trans	-93.8	169.6	179.9	-47.4	-154.1	140.4	0	0	111.9	R100 W104 A116	R100-E102 IonicContact CZ-OE1 2.69Å; R100-E102 IonicContact NE-OE1 3.83Å; R100-E102 PolarHBondContact NE-OE1 3.13Å; R100-E102 IonicContact NH2-OE1 3.08Å; R100-E102 PolarHBondContact NH2-OE1 2.98Å; E102-W104 PolarHBondContact O-N 3.01Å; E102-A116 HydrophobicContact CB-CB 4.38Å; E102-A116 HydrophobicContact CG-CB 3.81Å
103	N	83.3	Confident	80.6	Confident	96 Å²	96	87 Å²	87	51%	0.513	42%	0.417	S	S	.	.			trans	57.2	39.8	172.2	-57.1	-48.4	0	0	0	115.6	C105 C112	N103-C105 PolarHBondContact O-N 3.3Å; N103-C112 VanDerWaalsContact O-CB 3.32Å; N103-C112 WeakPolarHBondContact O-CB 3.36Å
104	W	86.4	Confident	79.3	Confident	1 Å²	1	88.2 Å²	88.2	0%	0.004	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-66	132	174.4	-84	72.7	0	0	0	112.7	A42 F44 K47 L48 M50 E102 V119	A42-W104 HydrophobicContact CB-CZ2 4.33Å; F44-W104 HydrophobicContact CB-CD2 4.27Å; F44-W104 HydrophobicContact CB-CE3 3.88Å; F44-W104 HydrophobicContact CB-CH2 3.31Å; F44-W104 HydrophobicContact CB-CZ2 3.74Å; F44-W104 HydrophobicContact CB-CZ3 3.34Å; K47-W104 HydrophobicContact CB-CD2 4.38Å; K47-W104 HydrophobicContact CB-CE3 3.38Å; K47-W104 HydrophobicContact CB-CZ3 3.92Å; K47-W104 HydrophobicContact CD-CB 3.46Å; K47-W104 VanDerWaalsContact CD-CB 3.46Å; K47-W104 HydrophobicContact CD-CD2 4.15Å; K47-W104 HydrophobicContact CD-CE3 3.93Å; K47-W104 HydrophobicContact CD-CG 4.03Å; K47-W104 HydrophobicContact CG-CE3 4.3Å; L48-W104 WeakPolarHBondContact O-CZ3 3.43Å; M50-W104 HydrophobicContact CB-CZ2 4.38Å; M50-W104 HydrophobicContact CG-CD2 3.86Å; M50-W104 HydrophobicContact CG-CE3 4.01Å; M50-W104 HydrophobicContact CG-CH2 3.83Å; M50-W104 HydrophobicContact CG-CZ2 3.65Å; M50-W104 HydrophobicContact CG-CZ3 4.04Å; M50-W104 HydrophobicContact SD-CD2 4.44Å; E102-W104 PolarHBondContact O-N 3.01Å; W104-V119 HydrophobicContact CZ2-CG2 4.35Å
105	C	84.4	Confident	78.4	Confident	2 Å²	2	94.6 Å²	94.6	1%	0.014	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-87.5	140.7	179.9	-38	0	0	0	0	111.3	K47 L48 P61 N103 C112	K47-C105 WeakPolarHBondContact CB-O 3.06Å; L48-C105 HydrophobicContact CB-CB 4.39Å; L48-C105 HydrophobicContact CD1-CB 3.91Å; L48-C105 HydrophobicContact CG-CB 4.36Å; L48-C105 PolarHBondContact N-O 3.03Å; P61-C105 HydrophobicContact CB-CB 4.38Å; P61-C105 WeakPolarHBondContact CB-SG 3.45Å; P61-C105 VanDerWaalsContact CG-SG 3.54Å; N103-C105 PolarHBondContact O-N 3.3Å; C105-C112 HydrophobicContact CB-CB 4.02Å; C105-C112 WeakPolarHBondContact CB-SG 3.21Å; C105-C112 WeakPolarHBondContact SG-CB 3.39Å; C105-C112 CovalentContact SG-SG 2.03Å; C105-C112 PolarHBondContact SG-SG 3.23Å
106	K	81.8	Confident	78.2	Confident	130 Å²	130	95.6 Å²	95.6	57%	0.565	47%	0.468	S	S	*	.	B	Isolated β-bridge	trans	-77	148.2	170.8	-68.5	-173.9	180	-176.5	0	109.4	E108 K109	K106-E108 PolarHBondContact O-N 2.85Å; K106-K109 PolarHBondContact O-N 3.16Å; K106-K109 VanDerWaalsContact O-N 3.17Å
107	K	73.3	Confident	78.5	Confident	105 Å²	105	94.4 Å²	94.4	46%	0.457	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	135.8	173.8	-161.4	177.2	178.6	-179	0	110.1	L48 K109	L48-K107 HydrophobicContact CD2-CG 4.4Å; K107-K109 VanDerWaalsContact C-N 3.25Å; K107-K109 PolarHBondContact O-N 3.18Å
108	E	70.4	Confident	78.9	Confident	161 Å²	161	93 Å²	93	75%	0.752	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	5.5	178.2	-61.6	157.7	-153.6	0	0	116.7	K106	K106-E108 PolarHBondContact O-N 2.85Å
109	K	68.4	Low	79	Confident	138 Å²	138	89.8 Å²	89.8	60%	0.6	44%	0.435	S	S	*	.			trans	-118.7	123	175.9	-67	-171.8	179.2	-174.3	0	111.7	K106 K107 V111	K106-K109 PolarHBondContact O-N 3.16Å; K106-K109 VanDerWaalsContact O-N 3.17Å; K107-K109 VanDerWaalsContact C-N 3.25Å; K107-K109 PolarHBondContact O-N 3.18Å; K109-V111 VanDerWaalsContact C-N 3.27Å; K109-V111 PolarHBondContact O-N 2.7Å
110	K	59.8	Low	79	Confident	211 Å²	211	90.6 Å²	90.6	92%	0.917	44%	0.44	S	S	*	.	S	Bend	trans	-72.6	-12.3	178.9	-62.8	-171.1	178.8	-172.5	0	114.8
111	V	62.2	Low	79.1	Confident	100 Å²	100	82.9 Å²	82.9	61%	0.606	41%	0.411	S	S	*	.			trans	-99.6	109.6	-178.4	-177.7	0	0	0	0	109.2	K109 K113	K109-V111 VanDerWaalsContact C-N 3.27Å; K109-V111 PolarHBondContact O-N 2.7Å; V111-K113 HydrophobicContact CG1-CD 4.02Å; V111-K113 HydrophobicContact CG1-CG 3.91Å; V111-K113 PolarHBondContact O-N 3.07Å; V111-K113 VanDerWaalsContact O-N 3.14Å
112	C	70.3	Confident	79.2	Confident	40 Å²	40	84.5 Å²	84.5	27%	0.27	42%	0.417	S	S	.	.			trans	-85.3	84.3	-178.4	-50.6	0	0	0	0	109.3	N103 C105	N103-C112 VanDerWaalsContact O-CB 3.32Å; N103-C112 WeakPolarHBondContact O-CB 3.36Å; C105-C112 HydrophobicContact CB-CB 4.02Å; C105-C112 WeakPolarHBondContact CB-SG 3.21Å; C105-C112 WeakPolarHBondContact SG-CB 3.39Å; C105-C112 CovalentContact SG-SG 2.03Å; C105-C112 PolarHBondContact SG-SG 3.23Å
113	K	64.3	Low	79.4	Confident	180 Å²	180	80.8 Å²	80.8	78%	0.783	40%	0.4	S	S	*	.			trans	-116.3	107.2	172.6	-78.3	-179.2	-179.3	-170.3	0	108.1	V111	V111-K113 HydrophobicContact CG1-CD 4.02Å; V111-K113 HydrophobicContact CG1-CG 3.91Å; V111-K113 PolarHBondContact O-N 3.07Å; V111-K113 VanDerWaalsContact O-N 3.14Å
114	G	63.7	Low	79.9	Confident	32 Å²	32	76.4 Å²	76.4	33%	0.33	38%	0.377	S	S	.	.			trans	-167.5	152.9	-178	0	0	0	0	0	113.4
115	H	70.8	Confident	80.1	Confident	164 Å²	164	77.9 Å²	77.9	76%	0.759	39%	0.385	S	S	*	.			trans	-59.3	153.6	171.7	-56.1	-76.3	0	0	0	111.4	H117	H115-H117 PolarHBondContact O-CD2 2.91Å
116	A	84.4	Confident	80.4	Confident	33 Å²	33	81.1 Å²	81.1	27%	0.273	40%	0.404	S	S	.	.			trans	-67.2	142.3	174	0	0	0	0	0	111	R100 I101 E102	R100-A116 HydrophobicContact CG-CB 3.78Å; R100-A116 VanDerWaalsContact NE-CB 3.34Å; I101-A116 WeakPolarHBondContact O-CA 3.43Å; E102-A116 HydrophobicContact CB-CB 4.38Å; E102-A116 HydrophobicContact CG-CB 3.81Å
117	H	88.9	Confident	80.5	Confident	46 Å²	46	75.9 Å²	75.9	21%	0.213	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.6	173.7	-71	-83.7	0	0	0	110.1	F44 K47 R100 I101 H115 V119	F44-H117 HydrophobicContact CD2-CB 4.28Å; F44-H117 AromaticContact CE1-CE1 3.98Å; F44-H117 AromaticContact CE1-ND1 3.99Å; F44-H117 HydrophobicContact CE2-CB 4.36Å; F44-H117 AromaticContact CE2-ND1 3.58Å; F44-H117 AromaticContact CZ-CE1 3.72Å; F44-H117 AromaticContact CZ-ND1 3.43Å; F44-H117 WeakPolarHBondContact CZ-ND1 3.37Å; K47-H117 WeakPolarHBondContact CE-NE2 3.33Å; K47-H117 PolarHBondContact NZ-CD2 2.95Å; K47-H117 PolarHBondContact NZ-NE2 3.14Å; R100-H117 WeakPolarHBondContact CA-O 3.25Å; I101-H117 PolarHBondContact N-O 3.42Å; I101-H117 PolarHBondContact O-N 3.29Å; H115-H117 PolarHBondContact O-CD2 2.91Å; H117-V119 HydrophobicContact CB-CG1 4.41Å
118	I	91.4	Very high	80.8	Confident	121 Å²	121	79.2 Å²	79.2	62%	0.621	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.9	173.1	-58.9	175.8	0	0	0	106.9	P98 V99 R100	P98-I118 HydrophobicContact CB-CG2 3.7Å; P98-I118 HydrophobicContact CG-CG2 4.36Å; V99-I118 WeakPolarHBondContact O-CA 3.31Å; R100-I118 HydrophobicContact CB-CG1 4.18Å; R100-I118 HydrophobicContact CG-CG1 4.36Å
119	V	92.1	Very high	81.3	Confident	14 Å²	14	74.5 Å²	74.5	9%	0.085	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.6	-178	-65.5	0	0	0	0	109.5	A42 F44 P98 V99 I101 W104 H117 P121	A42-V119 HydrophobicContact CB-CG2 3.92Å; F44-V119 HydrophobicContact CB-CG1 4.36Å; F44-V119 HydrophobicContact CD2-CG1 3.79Å; P98-V119 WeakPolarHBondContact CA-O 3.49Å; V99-V119 PolarHBondContact N-O 3.31Å; V99-V119 PolarHBondContact O-N 2.86Å; I101-V119 HydrophobicContact CD1-CG2 3.68Å; I101-V119 HydrophobicContact CG1-CG2 4.3Å; W104-V119 HydrophobicContact CZ2-CG2 4.35Å; H117-V119 HydrophobicContact CB-CG1 4.41Å; V119-P121 VanDerWaalsContact O-CD 3.31Å; V119-P121 WeakPolarHBondContact O-CD 3.31Å
120	V	91.6	Very high	81.8	Confident	65 Å²	65	73.5 Å²	73.5	39%	0.394	39%	0.387	S	S	.	.			trans	-87	112.1	169	-179.6	0	0	0	0	107.1	E94 A95 P98	E94-V120 HydrophobicContact CB-CG1 4.2Å; A95-V120 VanDerWaalsContact O-CG1 3.31Å; A95-V120 WeakPolarHBondContact O-CG1 3.3Å; P98-V120 HydrophobicContact CB-CG2 4.09Å
121	P	93.9	Very high	82.8	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-73	163.3	177.5	30.3	-32.9	0	0	0	111.2	V41 A42 W59 A95 V99 V119	V41-P121 WeakPolarHBondContact O-CA 3.42Å; A42-P121 HydrophobicContact CB-CB 4.25Å; W59-P121 HydrophobicContact CH2-CB 3.79Å; W59-P121 HydrophobicContact CZ2-CB 4.26Å; A95-P121 HydrophobicContact CB-CG 3.73Å; A95-P121 WeakPolarHBondContact CB-O 3.32Å; A95-P121 PolarHBondContact N-O 3.49Å; V99-P121 HydrophobicContact CB-CG 4.49Å; V99-P121 HydrophobicContact CG2-CG 3.92Å; V119-P121 VanDerWaalsContact O-CD 3.31Å; V119-P121 WeakPolarHBondContact O-CD 3.31Å
122	Y	93.5	Very high	83.4	Confident	36 Å²	36	63.8 Å²	63.8	14%	0.141	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131	168.8	-72.9	-91	0	0	0	109.5	Q40 V41 K73 V76 V93 E94	Q40-Y122 CarbonylContact C-O 3.59Å; Q40-Y122 VanDerWaalsContact CA-O 3.25Å; Q40-Y122 WeakPolarHBondContact CA-O 3.5Å; V41-Y122 PolarHBondContact N-O 3.34Å; V41-Y122 PolarHBondContact O-N 2.69Å; K73-Y122 HydrophobicContact CD-CE1 3.71Å; K73-Y122 WeakPolarHBondContact CE-OH 3.4Å; K73-Y122 VanDerWaalsContact NZ-CE1 3.26Å; K73-Y122 PolarHBondContact NZ-OH 2.86Å; V76-Y122 HydrophobicContact CG1-CD1 3.84Å; V76-Y122 HydrophobicContact CG1-CD2 3.92Å; V76-Y122 HydrophobicContact CG1-CE1 4.33Å; V76-Y122 HydrophobicContact CG1-CE2 4.44Å; V76-Y122 HydrophobicContact CG1-CG 3.59Å; V76-Y122 HydrophobicContact CG2-CD2 4.48Å; V76-Y122 HydrophobicContact CG2-CE1 4.43Å; V76-Y122 HydrophobicContact CG2-CE2 4.22Å; V93-Y122 CarbonylContact O-C 3.46Å; V93-Y122 WeakPolarHBondContact O-CA 3.48Å; E94-Y122 HydrophobicContact CG-CD1 4.04Å; E94-Y122 HydrophobicContact CG-CE1 3.57Å
123	M	91.9	Very high	83.9	Confident	22 Å²	22	68.3 Å²	68.3	11%	0.108	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.8	170.6	-49.9	-168.2	-60	0	0	108.8	Q40 V92 V93 A95	Q40-M123 HydrophobicContact CG-CG 4.22Å; V92-M123 VanDerWaalsContact CA-O 3.32Å; V92-M123 WeakPolarHBondContact CA-O 2.8Å; V93-M123 HydrophobicContact CG1-CB 3.89Å; V93-M123 HydrophobicContact CG1-CE 3.46Å; V93-M123 VanDerWaalsContact CG1-CE 3.46Å; V93-M123 HydrophobicContact CG1-CG 4.44Å; V93-M123 PolarHBondContact N-O 3.02Å; V93-M123 VanDerWaalsContact N-O 3.07Å; V93-M123 PolarHBondContact O-N 2.78Å; A95-M123 HydrophobicContact CB-CG 4.17Å; A95-M123 HydrophobicContact CB-SD 4.41Å
124	C	93.5	Very high	85	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.027	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	106	178.2	-52.2	0	0	0	0	108.5	P39 C80 Y84 I89 V126	P39-C124 HydrophobicContact CB-CB 4.18Å; P39-C124 HydrophobicContact CG-CB 4.19Å; P39-C124 WeakPolarHBondContact CG-O 3.31Å; P39-C124 WeakPolarHBondContact O-CB 3.2Å; P39-C124 PolarHBondContact O-N 3.48Å; C80-C124 HydrophobicContact CB-CB 3.66Å; C80-C124 WeakPolarHBondContact CB-SG 3.06Å; C80-C124 WeakPolarHBondContact SG-CB 2.76Å; C80-C124 CovalentContact SG-SG 2.04Å; C80-C124 PolarHBondContact SG-SG 3.06Å; Y84-C124 HydrophobicContact CD2-CB 4.39Å; Y84-C124 HydrophobicContact CE2-CB 4.5Å; I89-C124 HydrophobicContact CD1-CB 3.89Å; I89-C124 HydrophobicContact CG1-CB 4.34Å; I89-C124 HydrophobicContact CG2-CB 3.98Å; C124-V126 PolarHBondContact O-N 3.32Å
125	L	90.6	Very high	86.1	Confident	32 Å²	32	66.2 Å²	66.2	17%	0.168	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.9	-173.4	-56.9	-175.9	0	0	0	110.8	I89 T90 N91 V93 F129	I89-L125 CarbonylContact C-O 3.21Å; I89-L125 VanDerWaalsContact CA-O 3.32Å; I89-L125 WeakPolarHBondContact CA-O 3.38Å; T90-L125 PolarHBondContact N-O 3.5Å; T90-L125 PolarHBondContact OG1-O 3.42Å; N91-L125 HydrophobicContact CB-CB 4.41Å; N91-L125 HydrophobicContact CB-CD1 4.22Å; N91-L125 WeakPolarHBondContact O-CB 3.01Å; N91-L125 PolarHBondContact O-N 3.31Å; V93-L125 HydrophobicContact CB-CD1 4.43Å; V93-L125 HydrophobicContact CG1-CD1 4.17Å; V93-L125 HydrophobicContact CG1-CD2 3.89Å; V93-L125 HydrophobicContact CG1-CG 4.2Å; L125-F129 HydrophobicContact CD1-CD2 3.88Å; L125-F129 HydrophobicContact CD1-CE2 4Å
126	V	91.1	Very high	87.1	Confident	70 Å²	70	61.8 Å²	61.8	42%	0.424	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.5	-175.9	-171.1	0	0	0	0	110	P39 L87 I89 C124	P39-V126 HydrophobicContact CG-CG2 3.72Å; L87-V126 HydrophobicContact CB-CG1 4.28Å; L87-V126 HydrophobicContact CB-CG2 4.37Å; L87-V126 HydrophobicContact CD1-CG2 4.12Å; I89-V126 HydrophobicContact CD1-CG2 3.77Å; C124-V126 PolarHBondContact O-N 3.32Å
127	G	84.9	Confident	87.3	Confident	19 Å²	19	62.8 Å²	62.8	20%	0.196	35%	0.347	C	S	.	.	S	Bend	trans	76.6	-152.8	171.7	0	0	0	0	0	114.2	K88 T90	K88-G127 PolarHBondContact O-N 2.04Å; T90-G127 WeakPolarHBondContact CB-O 3.02Å; T90-G127 WeakPolarHBondContact CG2-O 3.17Å; T90-G127 PolarHBondContact OG1-O 3.11Å
128	E	79.3	Confident	87.1	Confident	176 Å²	176	68.8 Å²	68.8	82%	0.822	38%	0.376	S	S	*	.	S	Bend	trans	-67.8	143.8	173.5	-67.6	-175.6	170.8	0	0	109.7	V130	E128-V130 PolarHBondContact O-N 3.1Å
129	F	80.9	Confident	86.9	Confident	62 Å²	62	71.4 Å²	71.4	27%	0.272	38%	0.383	S	S	.	.			trans	-67.1	125.7	-177.7	177.9	-88.9	0	0	0	110.7	L125 M177 P180 F186	L125-F129 HydrophobicContact CD1-CD2 3.88Å; L125-F129 HydrophobicContact CD1-CE2 4Å; F129-M177 HydrophobicContact CZ-CB 4.23Å; F129-M177 VanDerWaalsContact CZ-O 3.29Å; F129-M177 WeakPolarHBondContact CZ-O 3.47Å; F129-P180 HydrophobicContact CB-CG 3.52Å; F129-P180 HydrophobicContact CD1-CG 4.17Å; F129-P180 HydrophobicContact CD2-CB 4.41Å; F129-P180 HydrophobicContact CD2-CG 3.98Å; F129-P180 HydrophobicContact CG-CG 3.63Å; F129-F186 HydrophobicContact CD2-CE1 4.24Å; F129-F186 HydrophobicContact CE2-CD1 4.23Å; F129-F186 AromaticContact CE2-CE1 3.55Å; F129-F186 HydrophobicContact CE2-CE1 3.55Å; F129-F186 HydrophobicContact CE2-CZ 4.48Å; F129-F186 HydrophobicContact CZ-CD1 4.25Å; F129-F186 HydrophobicContact CZ-CE1 4.01Å
130	V	78	Confident	87	Confident	117 Å²	117	71.8 Å²	71.8	71%	0.709	39%	0.385	S	S	*	.			trans	-119.7	133.5	170.4	-176.1	0	0	0	0	106.4	E128	E128-V130 PolarHBondContact O-N 3.1Å
131	S	80.7	Confident	87.1	Confident	44 Å²	44	74.3 Å²	74.3	31%	0.308	39%	0.391	S	S	.	.			trans	-71.4	148.4	177	62.2	0	0	0	0	110.9	M177 E190	S131-M177 WeakPolarHBondContact CB-O 3.04Å; S131-E190 WeakPolarHBondContact CB-OE1 3.29Å; S131-E190 PolarHBondContact OG-OE1 2.85Å
132	D	75.3	Confident	87.1	Confident	62 Å²	62	78.5 Å²	78.5	33%	0.332	41%	0.41	S	S	.	.			trans	-65.9	139.1	-178.9	-63.1	-23.4	0	0	0	111	L134	D132-L134 PolarHBondContact O-N 3.41Å; D132-L134 VanDerWaalsContact O-N 3.11Å
133	V	80.8	Confident	87.1	Confident	136 Å²	136	80 Å²	80	82%	0.824	42%	0.417	S	S	*	.			trans	-72.7	110.1	175.3	-177	0	0	0	0	109.6
134	L	86.8	Confident	87.2	Confident	28 Å²	28	84.9 Å²	84.9	15%	0.147	44%	0.439	C	S	.	.			trans	-87.5	113.9	175.7	-61	-171.5	0	0	0	111.6	D132 F142 E190 V192	D132-L134 PolarHBondContact O-N 3.41Å; D132-L134 VanDerWaalsContact O-N 3.11Å; L134-F142 HydrophobicContact CB-CE2 4.22Å; L134-F142 HydrophobicContact CD1-CE2 4.09Å; L134-E190 HydrophobicContact CD1-CB 4.19Å; L134-E190 HydrophobicContact CD1-CG 3.78Å; L134-E190 HydrophobicContact CG-CG 4.33Å; L134-V192 HydrophobicContact CB-CG2 4.15Å; L134-V192 HydrophobicContact CD1-CG2 4.33Å
135	L	87.7	Confident	87.2	Confident	140 Å²	140	88.6 Å²	88.6	73%	0.733	46%	0.455	S	S	*	.			trans	-69.4	134.5	169	-61.7	176.2	0	0	0	110.4	P137	L135-P137 WeakPolarHBondContact O-CD 3.38Å
136	V	92.4	Very high	87.3	Confident	71 Å²	71	91.6 Å²	91.6	43%	0.43	47%	0.468	S	S	.	.			trans	-110.4	101.6	-179.6	-171.1	0	0	0	0	108.9	C140 F142 V192	V136-C140 HydrophobicContact CG1-CB 4.18Å; V136-F142 HydrophobicContact CG2-CB 3.83Å; V136-F142 HydrophobicContact CG2-CD2 4.15Å; V136-F142 HydrophobicContact CG2-CG 4.38Å; V136-V192 HydrophobicContact CG1-CG1 4.12Å; V136-V192 HydrophobicContact CG2-CG2 3.94Å
137	P	88.9	Confident	87.3	Confident	53 Å²	53	92.7 Å²	92.7	34%	0.344	47%	0.465	S	S	.	.			trans	-65.1	162.8	178.3	-19.1	31.3	0	0	0	112.4	L135 K139 C140	L135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-K139 PolarHBondContact O-N 2.92Å; P137-C140 VanDerWaalsContact O-CB 3.27Å; P137-C140 WeakPolarHBondContact O-CB 3.11Å; P137-C140 PolarHBondContact O-N 3.47Å; P137-C140 VanDerWaalsContact O-N 3.1Å
138	E	83.1	Confident	87.6	Confident	173 Å²	173	97.4 Å²	97.4	81%	0.808	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	138.4	175.8	-66.7	-172.8	177.2	0	0	112.1	C140	E138-C140 PolarHBondContact O-N 3.19Å
139	K	87.4	Confident	88.2	Confident	176 Å²	176	95.1 Å²	95.1	77%	0.765	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	-1.9	-179	-49.3	168.6	-175.6	166.6	0	114.8	P137 P195	P137-K139 PolarHBondContact O-N 2.92Å; K139-P195 HydrophobicContact CB-CG 4.28Å; K139-P195 WeakPolarHBondContact O-CD 3.36Å; K139-P195 WeakPolarHBondContact O-CG 3.29Å
140	C	93.9	Very high	88.8	Confident	21 Å²	21	94.5 Å²	94.5	14%	0.142	48%	0.476	C	S	.	.			trans	-86	164.3	170.1	-53	0	0	0	0	111.2	V136 P137 E138 V192 C193 C194	V136-C140 HydrophobicContact CG1-CB 4.18Å; P137-C140 VanDerWaalsContact O-CB 3.27Å; P137-C140 WeakPolarHBondContact O-CB 3.11Å; P137-C140 PolarHBondContact O-N 3.47Å; P137-C140 VanDerWaalsContact O-N 3.1Å; E138-C140 PolarHBondContact O-N 3.19Å; C140-V192 HydrophobicContact CB-CG1 3.64Å; C140-C193 CarbonylContact C-O 3.15Å; C140-C193 WeakPolarHBondContact CA-O 3.34Å; C140-C194 HydrophobicContact CB-CB 4.03Å; C140-C194 WeakPolarHBondContact CB-SG 3.49Å; C140-C194 WeakPolarHBondContact SG-CB 3.43Å; C140-C194 CovalentContact SG-SG 2.02Å; C140-C194 PolarHBondContact SG-SG 2.98Å
141	K	93.6	Very high	89.6	Confident	118 Å²	118	91.3 Å²	91.3	51%	0.513	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.6	-179.3	-66.5	-176.5	179.9	-176.4	0	110	F143 M170 V192 C193	K141-F143 HydrophobicContact CB-CD2 4.31Å; K141-F143 HydrophobicContact CB-CE2 3.43Å; K141-F143 VanDerWaalsContact CB-CE2 3.43Å; K141-F143 HydrophobicContact CB-CZ 3.68Å; K141-F143 HydrophobicContact CD-CE2 4.46Å; K141-F143 HydrophobicContact CD-CZ 3.99Å; K141-F143 WeakPolarHBondContact O-CD2 3.3Å; K141-M170 HydrophobicContact CD-CE 4.12Å; K141-M170 HydrophobicContact CD-SD 4.41Å; K141-M170 HydrophobicContact CG-CE 4.36Å; K141-V192 CarbonylContact O-C 3.52Å; K141-V192 WeakPolarHBondContact O-CA 3.32Å; K141-C193 PolarHBondContact N-O 3.44Å; K141-C193 PolarHBondContact O-N 3.46Å
142	F	95	Very high	90.3	Very high	89 Å²	89	90.7 Å²	90.7	39%	0.39	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	140.3	174.4	179.1	-92.6	0	0	0	110.9	L134 V136 E190 V192	L134-F142 HydrophobicContact CB-CE2 4.22Å; L134-F142 HydrophobicContact CD1-CE2 4.09Å; V136-F142 HydrophobicContact CG2-CB 3.83Å; V136-F142 HydrophobicContact CG2-CD2 4.15Å; V136-F142 HydrophobicContact CG2-CG 4.38Å; F142-E190 HydrophobicContact CE2-CB 3.92Å; F142-E190 HydrophobicContact CZ-CB 3.71Å; F142-E190 WeakPolarHBondContact CZ-OE2 3.36Å; F142-V192 HydrophobicContact CD2-CG2 4Å
143	F	94.4	Very high	91.1	Very high	68 Å²	68	89.1 Å²	89.1	30%	0.298	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.6	178.1	-60.4	-81.1	0	0	0	109.7	K141 E190 Y191 C193	K141-F143 HydrophobicContact CB-CD2 4.31Å; K141-F143 HydrophobicContact CB-CE2 3.43Å; K141-F143 VanDerWaalsContact CB-CE2 3.43Å; K141-F143 HydrophobicContact CB-CZ 3.68Å; K141-F143 HydrophobicContact CD-CE2 4.46Å; K141-F143 HydrophobicContact CD-CZ 3.99Å; K141-F143 WeakPolarHBondContact O-CD2 3.3Å; F143-E190 CarbonylContact O-C 3.49Å; F143-E190 WeakPolarHBondContact O-CA 3.46Å; F143-Y191 HydrophobicContact CB-CD1 4.43Å; F143-Y191 HydrophobicContact CB-CD2 4.01Å; F143-Y191 HydrophobicContact CB-CE1 3.98Å; F143-Y191 HydrophobicContact CB-CE2 3.53Å; F143-Y191 HydrophobicContact CB-CG 4.42Å; F143-Y191 VanDerWaalsContact CB-CZ 3.49Å; F143-Y191 HydrophobicContact CD2-CD2 4.34Å; F143-Y191 AromaticContact CD2-CE2 3.99Å; F143-Y191 HydrophobicContact CD2-CE2 3.99Å; F143-Y191 HydrophobicContact CG-CE2 4.02Å; F143-Y191 PolarHBondContact N-O 3.39Å; F143-Y191 PolarHBondContact O-N 2.98Å; F143-C193 HydrophobicContact CD2-CB 4.28Å; F143-C193 HydrophobicContact CE2-CB 3.96Å
144	H	93.9	Very high	91.5	Very high	124 Å²	124	82.9 Å²	82.9	57%	0.574	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.5	167.2	64.1	-86.1	0	0	0	110.3	L178 T189 E190	H144-L178 HydrophobicContact CB-CD1 4.06Å; H144-T189 CarbonylContact C-O 3.51Å; H144-T189 WeakPolarHBondContact CA-O 3.23Å; H144-E190 HydrophobicContact CB-CB 4.12Å
145	K	92.5	Very high	91.7	Very high	81 Å²	81	87 Å²	87	35%	0.352	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	120.9	175.5	-174	171.9	-178.5	-180	0	109.4	W157 V160 G188 T189 Y191	K145-W157 HydrophobicContact CG-CZ3 4.36Å; K145-V160 HydrophobicContact CD-CG1 3.78Å; K145-G188 CarbonylContact O-C 3.54Å; K145-G188 WeakPolarHBondContact O-CA 3.44Å; K145-T189 PolarHBondContact N-O 3.37Å; K145-T189 PolarHBondContact O-N 2.96Å; K145-Y191 HydrophobicContact CB-CE1 4.28Å
146	E	92.2	Very high	92	Very high	95 Å²	95	85.3 Å²	85.3	44%	0.444	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.7	-177.9	-168.7	-172.6	145.3	0	0	110.3	M148 L179	E146-M148 HydrophobicContact CG-SD 4.49Å; E146-L179 HydrophobicContact CG-CD1 4.26Å; E146-L179 WeakPolarHBondContact OE1-CD1 3.44Å
147	R	91.9	Very high	92.1	Very high	93 Å²	93	82 Å²	82	35%	0.351	39%	0.393	S	S	.	.			trans	-144.8	98.7	179.3	-75.9	-156.9	-66.5	171.5	0.4	110.4	D149 L150 W157 H187	R147-D149 WeakPolarHBondContact CB-OD1 3.49Å; R147-D149 PolarHBondContact O-N 3.27Å; R147-L150 HydrophobicContact CB-CB 4.31Å; R147-L150 HydrophobicContact CB-CD1 4.46Å; R147-L150 PolarHBondContact O-N 2.94Å; R147-L150 VanDerWaalsContact O-N 3.07Å; R147-W157 HydrophobicContact CB-CH2 4.23Å; R147-H187 PolarHBondContact N-O 2.92Å; R147-H187 PolarHBondContact O-ND1 2.95Å
148	M	90.8	Very high	92.3	Very high	118 Å²	118	82.3 Å²	82.3	58%	0.581	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.7	179.5	-62.9	-55.6	-72.3	0	0	113.7	E146 L150 L179 H187	E146-M148 HydrophobicContact CG-SD 4.49Å; M148-L150 PolarHBondContact O-N 3.45Å; M148-L179 HydrophobicContact SD-CD1 4.09Å; M148-H187 PolarHBondContact O-CE1 2.96Å; M148-H187 HydrophobicContact SD-CB 4.17Å
149	D	92.8	Very high	92.8	Very high	128 Å²	128	76.7 Å²	76.7	68%	0.684	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.4	176.2	63.4	-47.8	0	0	0	113.5	R147	R147-D149 WeakPolarHBondContact CB-OD1 3.49Å; R147-D149 PolarHBondContact O-N 3.27Å
150	L	93.2	Very high	93.2	Very high	50 Å²	50	69.6 Å²	69.6	26%	0.262	34%	0.344	S	S	.	.			trans	-132.2	131.6	-172.8	-74.2	164	0	0	0	112.4	R147 M148 H187	R147-L150 HydrophobicContact CB-CB 4.31Å; R147-L150 HydrophobicContact CB-CD1 4.46Å; R147-L150 PolarHBondContact O-N 2.94Å; R147-L150 VanDerWaalsContact O-N 3.07Å; M148-L150 PolarHBondContact O-N 3.45Å; L150-H187 PolarHBondContact O-ND1 3.19Å
151	C	95.1	Very high	93.3	Very high	50 Å²	50	68.6 Å²	68.6	34%	0.338	34%	0.338	S	S	.	.			trans	-123.7	96.3	177.2	-179	0	0	0	0	108.1	C181 K185	C151-C181 WeakPolarHBondContact CA-SG 3.34Å; C151-C181 HydrophobicContact CB-CB 3.85Å; C151-C181 WeakPolarHBondContact CB-SG 3.39Å; C151-C181 WeakPolarHBondContact SG-CB 3.39Å; C151-C181 CovalentContact SG-SG 2.02Å; C151-C181 PolarHBondContact SG-SG 2.96Å; C151-K185 VanDerWaalsContact SG-CB 3.59Å
152	I	94.7	Very high	93.4	Very high	30 Å²	30	68.5 Å²	68.5	15%	0.154	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	162	-171.2	64.7	175.8	0	0	0	110.9	Q156 W157 K185 F186	I152-Q156 HydrophobicContact CB-CB 4.19Å; I152-Q156 VanDerWaalsContact CB-OE1 3.31Å; I152-Q156 HydrophobicContact CD1-CB 3.95Å; I152-Q156 HydrophobicContact CG1-CB 4.21Å; I152-W157 HydrophobicContact CD1-CD2 3.9Å; I152-W157 HydrophobicContact CD1-CE3 4.38Å; I152-W157 HydrophobicContact CD1-CG 4.27Å; I152-W157 HydrophobicContact CD1-CH2 4.49Å; I152-W157 HydrophobicContact CD1-CZ2 3.97Å; I152-W157 HydrophobicContact CG1-CD2 3.99Å; I152-W157 VanDerWaalsContact CG1-CE2 3.42Å; I152-W157 HydrophobicContact CG1-CG 4.08Å; I152-W157 HydrophobicContact CG1-CZ2 3.89Å; I152-K185 VanDerWaalsContact O-CA 3.3Å; I152-K185 WeakPolarHBondContact O-CA 3.25Å; I152-F186 PolarHBondContact N-O 3.33Å; I152-F186 PolarHBondContact O-N 3.34Å
153	S	91.6	Very high	93.4	Very high	29 Å²	29	69.1 Å²	69.1	20%	0.203	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	161.8	-171.4	71.8	0	0	0	0	113.6	Q155 Q156 W157 D184	S153-Q155 VanDerWaalsContact C-N 3.28Å; S153-Q155 PolarHBondContact O-N 2.99Å; S153-Q156 WeakPolarHBondContact O-CB 3.36Å; S153-Q156 PolarHBondContact O-N 3.09Å; S153-Q156 WeakPolarHBondContact OG-CG 3.4Å; S153-Q156 PolarHBondContact OG-OE1 3.26Å; S153-W157 PolarHBondContact O-N 2.86Å; S153-W157 VanDerWaalsContact O-N 3.08Å; S153-D184 WeakPolarHBondContact CA-O 2.96Å
154	H	89.4	Confident	93.4	Very high	5 Å²	5	66.9 Å²	66.9	2%	0.023	34%	0.336	C	S	.	.	H	α-helix	trans	-47.2	-47.7	173.8	176.2	-115.9	0	0	0	113.3	V93 E94 N96 Q156 W157 H158 Y175 M177 D184 F186	V93-H154 HydrophobicContact CG2-CB 3.98Å; E94-H154 PolarHBondContact O-CE1 3.37Å; E94-H154 PolarHBondContact O-ND1 2.99Å; N96-H154 PolarHBondContact OD1-CE1 3.18Å; N96-H154 PolarHBondContact OD1-NE2 3.45Å; H154-Q156 VanDerWaalsContact C-N 3.32Å; H154-Q156 PolarHBondContact O-N 3.06Å; H154-W157 PolarHBondContact O-N 3.09Å; H154-H158 PolarHBondContact O-N 3.25Å; H154-Y175 AromaticContact CD2-CE2 3.94Å; H154-Y175 AromaticContact CE1-CZ 3.87Å; H154-Y175 PolarHBondContact CE1-OH 2.87Å; H154-Y175 AromaticContact NE2-CE2 3.31Å; H154-Y175 VanDerWaalsContact NE2-CE2 3.31Å; H154-Y175 WeakPolarHBondContact NE2-CE2 3.27Å; H154-Y175 AromaticContact NE2-CZ 3.49Å; H154-Y175 PolarHBondContact NE2-OH 3.21Å; H154-M177 HydrophobicContact CB-SD 4.44Å; H154-D184 PolarHBondContact N-O 2.73Å; H154-F186 HydrophobicContact CB-CE2 4.36Å
155	Q	90.2	Very high	93.5	Very high	116 Å²	116	61 Å²	61	54%	0.542	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-34.1	179.1	-66.1	-178.4	-0.3	0	0	113.2	E94 S153 H158 A159	E94-Q155 PolarHBondContact OE2-NE2 3.18Å; S153-Q155 VanDerWaalsContact C-N 3.28Å; S153-Q155 PolarHBondContact O-N 2.99Å; Q155-H158 WeakPolarHBondContact O-CB 3.43Å; Q155-A159 PolarHBondContact O-N 2.98Å; Q155-A159 VanDerWaalsContact O-N 3.13Å
156	Q	94.2	Very high	93.6	Very high	104 Å²	104	60.6 Å²	60.6	49%	0.486	32%	0.316	S	S	.	.	H	α-helix	trans	-71.8	-40	178.8	-67.1	174.3	-55.6	0	0	110.7	I152 S153 H154 A159 V160	I152-Q156 HydrophobicContact CB-CB 4.19Å; I152-Q156 VanDerWaalsContact CB-OE1 3.31Å; I152-Q156 HydrophobicContact CD1-CB 3.95Å; I152-Q156 HydrophobicContact CG1-CB 4.21Å; S153-Q156 WeakPolarHBondContact O-CB 3.36Å; S153-Q156 PolarHBondContact O-N 3.09Å; S153-Q156 WeakPolarHBondContact OG-CG 3.4Å; S153-Q156 PolarHBondContact OG-OE1 3.26Å; H154-Q156 VanDerWaalsContact C-N 3.32Å; H154-Q156 PolarHBondContact O-N 3.06Å; Q156-A159 WeakPolarHBondContact O-CB 3.03Å; Q156-A159 PolarHBondContact O-N 3.46Å; Q156-V160 WeakPolarHBondContact O-CG2 3.13Å; Q156-V160 PolarHBondContact O-N 3.32Å; Q156-V160 VanDerWaalsContact O-N 3.1Å
157	W	94.9	Very high	93.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-38.3	172.8	-81	121.9	0	0	0	113.1	K145 R147 I152 S153 H154 A159 V160 A161 M177 F186 H187 T189	K145-W157 HydrophobicContact CG-CZ3 4.36Å; R147-W157 HydrophobicContact CB-CH2 4.23Å; I152-W157 HydrophobicContact CD1-CD2 3.9Å; I152-W157 HydrophobicContact CD1-CE3 4.38Å; I152-W157 HydrophobicContact CD1-CG 4.27Å; I152-W157 HydrophobicContact CD1-CH2 4.49Å; I152-W157 HydrophobicContact CD1-CZ2 3.97Å; I152-W157 HydrophobicContact CG1-CD2 3.99Å; I152-W157 VanDerWaalsContact CG1-CE2 3.42Å; I152-W157 HydrophobicContact CG1-CG 4.08Å; I152-W157 HydrophobicContact CG1-CZ2 3.89Å; S153-W157 PolarHBondContact O-N 2.86Å; S153-W157 VanDerWaalsContact O-N 3.08Å; H154-W157 PolarHBondContact O-N 3.09Å; W157-A159 VanDerWaalsContact C-N 3.31Å; W157-A159 PolarHBondContact O-N 3.03Å; W157-V160 HydrophobicContact CE3-CB 4.12Å; W157-V160 HydrophobicContact CE3-CG1 4.14Å; W157-V160 HydrophobicContact CE3-CG2 4.34Å; W157-V160 HydrophobicContact CZ3-CG1 4.15Å; W157-V160 WeakPolarHBondContact O-CB 3.32Å; W157-V160 PolarHBondContact O-N 3.1Å; W157-V160 VanDerWaalsContact O-N 3.13Å; W157-A161 PolarHBondContact O-N 2.95Å; W157-M177 HydrophobicContact CB-CE 3.64Å; W157-M177 HydrophobicContact CB-SD 3.65Å; W157-M177 HydrophobicContact CG-SD 4.04Å; W157-F186 PolarHBondContact NE1-O 3.04Å; W157-H187 WeakPolarHBondContact CH2-O 3.36Å; W157-H187 WeakPolarHBondContact CZ2-O 3.44Å; W157-T189 HydrophobicContact CB-CG2 4.17Å; W157-T189 HydrophobicContact CD2-CG2 4.17Å; W157-T189 HydrophobicContact CE3-CG2 3.51Å; W157-T189 HydrophobicContact CG-CG2 4.47Å; W157-T189 HydrophobicContact CZ3-CG2 4.25Å
158	H	93.2	Very high	93.3	Very high	60 Å²	60	63.4 Å²	63.4	28%	0.278	33%	0.332	S	S	.	.	H	α-helix	trans	-55.5	-45.9	170.5	177.5	71.5	0	0	0	112	H154 Q155 V160 A161 K162 Y175	H154-H158 PolarHBondContact O-N 3.25Å; Q155-H158 WeakPolarHBondContact O-CB 3.43Å; H158-V160 VanDerWaalsContact C-N 3.31Å; H158-V160 PolarHBondContact O-N 3.42Å; H158-A161 PolarHBondContact O-N 3.31Å; H158-K162 VanDerWaalsContact O-CB 3.3Å; H158-K162 WeakPolarHBondContact O-CB 3.44Å; H158-K162 PolarHBondContact O-N 2.77Å; H158-Y175 HydrophobicContact CB-CD2 4.38Å; H158-Y175 HydrophobicContact CB-CE1 4.38Å; H158-Y175 HydrophobicContact CB-CE2 3.65Å; H158-Y175 AromaticContact CE1-CE1 3.69Å; H158-Y175 AromaticContact CG-CE1 3.95Å; H158-Y175 AromaticContact CG-CZ 3.68Å; H158-Y175 AromaticContact ND1-CD1 3.5Å; H158-Y175 AromaticContact ND1-CE1 2.96Å; H158-Y175 WeakPolarHBondContact ND1-CE1 3.48Å; H158-Y175 AromaticContact ND1-CE2 3.8Å; H158-Y175 AromaticContact ND1-CZ 3.15Å; H158-Y175 PolarHBondContact ND1-OH 3.35Å
159	A	94.6	Very high	93.3	Very high	55 Å²	55	63 Å²	63	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-40.1	177.3	0	0	0	0	0	111.9	Q155 Q156 W157 K162 E163	Q155-A159 PolarHBondContact O-N 2.98Å; Q155-A159 VanDerWaalsContact O-N 3.13Å; Q156-A159 WeakPolarHBondContact O-CB 3.03Å; Q156-A159 PolarHBondContact O-N 3.46Å; W157-A159 VanDerWaalsContact C-N 3.31Å; W157-A159 PolarHBondContact O-N 3.03Å; A159-K162 PolarHBondContact O-N 2.88Å; A159-E163 WeakPolarHBondContact O-CB 3.45Å; A159-E163 PolarHBondContact O-N 2.87Å
160	V	95.2	Very high	93.4	Very high	27 Å²	27	58.2 Å²	58.2	16%	0.164	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-46.5	175.9	173	0	0	0	0	111.6	K145 Q156 W157 H158 E163 A164	K145-V160 HydrophobicContact CD-CG1 3.78Å; Q156-V160 WeakPolarHBondContact O-CG2 3.13Å; Q156-V160 PolarHBondContact O-N 3.32Å; Q156-V160 VanDerWaalsContact O-N 3.1Å; W157-V160 HydrophobicContact CE3-CB 4.12Å; W157-V160 HydrophobicContact CE3-CG1 4.14Å; W157-V160 HydrophobicContact CE3-CG2 4.34Å; W157-V160 HydrophobicContact CZ3-CG1 4.15Å; W157-V160 WeakPolarHBondContact O-CB 3.32Å; W157-V160 PolarHBondContact O-N 3.1Å; W157-V160 VanDerWaalsContact O-N 3.13Å; H158-V160 VanDerWaalsContact C-N 3.31Å; H158-V160 PolarHBondContact O-N 3.42Å; V160-E163 PolarHBondContact O-N 3.23Å; V160-A164 WeakPolarHBondContact O-CB 3.03Å; V160-A164 PolarHBondContact O-N 3.11Å
161	A	94.9	Very high	93.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-45	177.2	0	0	0	0	0	111.6	W157 H158 E163 A164 C165 L172 T189 Y191	W157-A161 PolarHBondContact O-N 2.95Å; H158-A161 PolarHBondContact O-N 3.31Å; A161-E163 PolarHBondContact O-N 3.1Å; A161-A164 PolarHBondContact O-N 3.43Å; A161-C165 PolarHBondContact O-N 3.07Å; A161-C165 PolarHBondContact O-SG 3.41Å; A161-L172 HydrophobicContact CB-CD1 3.92Å; A161-L172 HydrophobicContact CB-CD2 4.13Å; A161-T189 HydrophobicContact CB-CG2 4.25Å; A161-Y191 HydrophobicContact CB-CD1 3.79Å; A161-Y191 HydrophobicContact CB-CD2 4.17Å; A161-Y191 HydrophobicContact CB-CE1 4.48Å; A161-Y191 HydrophobicContact CB-CG 3.63Å
162	K	95.6	Very high	93.4	Very high	117 Å²	117	60.5 Å²	60.5	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-44.2	178.6	-172.9	175.2	-177	173.3	0	112.2	H158 A159 S166 L172	H158-K162 VanDerWaalsContact O-CB 3.3Å; H158-K162 WeakPolarHBondContact O-CB 3.44Å; H158-K162 PolarHBondContact O-N 2.77Å; A159-K162 PolarHBondContact O-N 2.88Å; K162-S166 WeakPolarHBondContact O-CB 3.45Å; K162-S166 PolarHBondContact O-N 2.02Å; K162-S166 PolarHBondContact O-OG 2.04Å; K162-L172 HydrophobicContact CB-CD2 3.96Å
163	E	95.6	Very high	93.3	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-41.6	176.1	-167	-170.2	163.8	0	0	111.3	A159 V160 A161 S166 R167	A159-E163 WeakPolarHBondContact O-CB 3.45Å; A159-E163 PolarHBondContact O-N 2.87Å; V160-E163 PolarHBondContact O-N 3.23Å; A161-E163 PolarHBondContact O-N 3.1Å; E163-S166 PolarHBondContact O-N 3.19Å; E163-R167 WeakPolarHBondContact O-CG 3.41Å; E163-R167 PolarHBondContact O-N 3.11Å; E163-R167 IonicContact OE1-CZ 3.53Å; E163-R167 IonicContact OE1-NE 3.83Å; E163-R167 PolarHBondContact OE1-NE 3.21Å; E163-R167 IonicContact OE1-NH2 2.71Å; E163-R167 PolarHBondContact OE1-NH2 3.46Å
164	A	95.1	Very high	93.3	Very high	21 Å²	21	64.3 Å²	64.3	17%	0.174	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-44.6	178.8	0	0	0	0	0	112.6	V160 A161 R167 Y191	V160-A164 WeakPolarHBondContact O-CB 3.03Å; V160-A164 PolarHBondContact O-N 3.11Å; A161-A164 PolarHBondContact O-N 3.43Å; A164-R167 PolarHBondContact O-N 2.99Å; A164-Y191 HydrophobicContact CB-CE2 3.72Å; A164-Y191 VanDerWaalsContact CB-OH 3.31Å; A164-Y191 WeakPolarHBondContact CB-OH 3.34Å
165	C	95.4	Very high	93.5	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-43.4	173.2	-64.2	0	0	0	0	111.8	A161 R167 S168 S169 M170 L172 C193	A161-C165 PolarHBondContact O-N 3.07Å; A161-C165 PolarHBondContact O-SG 3.41Å; C165-R167 VanDerWaalsContact C-N 3.3Å; C165-R167 PolarHBondContact O-N 3.04Å; C165-S168 CarbonylContact O-C 3.52Å; C165-S168 PolarHBondContact O-N 3.39Å; C165-S169 PolarHBondContact O-N 3.05Å; C165-M170 CarbonylContact C-O 3.56Å; C165-M170 PolarHBondContact O-N 3.1Å; C165-M170 VanDerWaalsContact O-N 3.08Å; C165-L172 HydrophobicContact CB-CB 4.36Å; C165-C193 WeakPolarHBondContact CA-SG 3.44Å; C165-C193 HydrophobicContact CB-CB 3.73Å; C165-C193 WeakPolarHBondContact CB-SG 3.36Å; C165-C193 VanDerWaalsContact SG-CA 3.54Å; C165-C193 WeakPolarHBondContact SG-CB 3.39Å; C165-C193 CovalentContact SG-SG 2.03Å; C165-C193 PolarHBondContact SG-SG 3.38Å
166	S	94.9	Very high	93.5	Very high	72 Å²	72	59.5 Å²	59.5	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-61.9	-36.2	-178.2	-59.1	0	0	0	0	112.4	K162 E163 S168 S169 M170	K162-S166 WeakPolarHBondContact O-CB 3.45Å; K162-S166 PolarHBondContact O-N 2.02Å; K162-S166 PolarHBondContact O-OG 2.04Å; E163-S166 PolarHBondContact O-N 3.19Å; S166-S168 PolarHBondContact O-N 2.91Å; S166-S169 PolarHBondContact O-N 3.32Å; S166-S169 VanDerWaalsContact O-N 3.08Å; S166-M170 PolarHBondContact N-O 2.72Å
167	R	92.6	Very high	93.4	Very high	185 Å²	185	55 Å²	55	70%	0.698	29%	0.294	S	S	*	.	H	α-helix	trans	-62	-27	174.8	-73.7	174.3	-175.9	-171.7	0.3	113.2	E163 A164 C165 S169	E163-R167 WeakPolarHBondContact O-CG 3.41Å; E163-R167 PolarHBondContact O-N 3.11Å; E163-R167 IonicContact OE1-CZ 3.53Å; E163-R167 IonicContact OE1-NE 3.83Å; E163-R167 PolarHBondContact OE1-NE 3.21Å; E163-R167 IonicContact OE1-NH2 2.71Å; E163-R167 PolarHBondContact OE1-NH2 3.46Å; A164-R167 PolarHBondContact O-N 2.99Å; C165-R167 VanDerWaalsContact C-N 3.3Å; C165-R167 PolarHBondContact O-N 3.04Å; R167-S169 VanDerWaalsContact C-N 3.35Å
168	S	85.7	Confident	93.3	Very high	63 Å²	63	56.1 Å²	56.1	44%	0.441	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	14.3	177.5	-56.4	0	0	0	0	112.8	C165 S166 M170	C165-S168 CarbonylContact O-C 3.52Å; C165-S168 PolarHBondContact O-N 3.39Å; S166-S168 PolarHBondContact O-N 2.91Å; S168-M170 PolarHBondContact O-N 3.12Å
169	S	90.4	Very high	93.1	Very high	108 Å²	108	57 Å²	57	76%	0.755	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	31.6	-174.2	47.3	0	0	0	0	113.6	C165 S166 R167	C165-S169 PolarHBondContact O-N 3.05Å; S166-S169 PolarHBondContact O-N 3.32Å; S166-S169 VanDerWaalsContact O-N 3.08Å; R167-S169 VanDerWaalsContact C-N 3.35Å
170	M	93.8	Very high	92.9	Very high	28 Å²	28	56.9 Å²	56.9	14%	0.138	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	160.4	176.7	-71.9	177.6	145.5	0	0	109.5	K141 C165 S166 S168 C193 C194 P195	K141-M170 HydrophobicContact CD-CE 4.12Å; K141-M170 HydrophobicContact CD-SD 4.41Å; K141-M170 HydrophobicContact CG-CE 4.36Å; C165-M170 CarbonylContact C-O 3.56Å; C165-M170 PolarHBondContact O-N 3.1Å; C165-M170 VanDerWaalsContact O-N 3.08Å; S166-M170 PolarHBondContact N-O 2.72Å; S168-M170 PolarHBondContact O-N 3.12Å; M170-C193 HydrophobicContact CB-CB 3.82Å; M170-C193 HydrophobicContact SD-CB 4.02Å; M170-C194 CarbonylContact C-O 3.52Å; M170-C194 WeakPolarHBondContact CA-O 3.37Å; M170-C194 VanDerWaalsContact CB-O 3.27Å; M170-C194 WeakPolarHBondContact CB-O 3.48Å; M170-P195 HydrophobicContact CE-CG 4.04Å
171	M	94.8	Very high	92.7	Very high	111 Å²	111	57.7 Å²	57.7	55%	0.547	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.6	174.1	-64.4	-162.1	-60.8	0	0	110.4	H173 C193 C194 A196	M171-H173 PolarHBondContact O-N 3.45Å; M171-C193 CarbonylContact O-C 3.21Å; M171-C193 WeakPolarHBondContact O-CA 3.03Å; M171-C194 PolarHBondContact N-O 2.87Å; M171-C194 PolarHBondContact O-N 3.46Å; M171-A196 HydrophobicContact CE-CB 4.39Å; M171-A196 HydrophobicContact CG-CB 4.04Å; M171-A196 HydrophobicContact SD-CB 4.44Å
172	L	94.3	Very high	92.5	Very high	37 Å²	37	61.2 Å²	61.2	19%	0.194	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	121.6	171.8	-178.8	68.1	0	0	0	109.2	A161 K162 C165 Y175 Y191	A161-L172 HydrophobicContact CB-CD1 3.92Å; A161-L172 HydrophobicContact CB-CD2 4.13Å; K162-L172 HydrophobicContact CB-CD2 3.96Å; C165-L172 HydrophobicContact CB-CB 4.36Å; L172-Y175 HydrophobicContact CD2-CD1 4.11Å; L172-Y175 HydrophobicContact CD2-CG 4.5Å; L172-Y191 HydrophobicContact CD1-CD2 4.27Å; L172-Y191 HydrophobicContact CD1-CG 4.33Å
173	H	93.1	Very high	92.2	Very high	112 Å²	112	57.4 Å²	57.4	52%	0.519	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-56.6	-179.6	176.9	-87.6	0	0	0	111.4	M171 V192 C194	M171-H173 PolarHBondContact O-N 3.45Å; H173-V192 HydrophobicContact CB-CB 4.45Å; H173-V192 HydrophobicContact CB-CG1 4.33Å; H173-V192 WeakPolarHBondContact CB-O 3.13Å; H173-V192 PolarHBondContact N-O 2.8Å; H173-C194 HydrophobicContact CB-CB 4.28Å; H173-C194 WeakPolarHBondContact CB-SG 3.32Å
174	S	91.4	Very high	91.8	Very high	28 Å²	28	53 Å²	53	20%	0.196	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156	178.8	51.1	0	0	0	0	110.1	Y191 V192	S174-Y191 CarbonylContact O-C 3.53Å; S174-Y191 VanDerWaalsContact O-CA 3.32Å; S174-Y191 WeakPolarHBondContact O-CA 3.4Å; S174-V192 PolarHBondContact O-N 3.01Å; S174-V192 WeakPolarHBondContact OG-CB 3.36Å; S174-V192 WeakPolarHBondContact OG-CG2 3.43Å
175	Y	93.5	Very high	91.6	Very high	18 Å²	18	55.6 Å²	55.6	7%	0.071	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	155.4	177.4	74.2	-72.7	0	0	0	111.1	N96 H154 H158 L172 M177 E190	N96-Y175 HydrophobicContact CB-CE1 4.19Å; N96-Y175 PolarHBondContact ND2-O 2.92Å; N96-Y175 VanDerWaalsContact ND2-O 3.11Å; N96-Y175 WeakPolarHBondContact OD1-CE1 3.4Å; N96-Y175 PolarHBondContact OD1-OH 3.39Å; H154-Y175 AromaticContact CD2-CE2 3.94Å; H154-Y175 AromaticContact CE1-CZ 3.87Å; H154-Y175 PolarHBondContact CE1-OH 2.87Å; H154-Y175 AromaticContact NE2-CE2 3.31Å; H154-Y175 VanDerWaalsContact NE2-CE2 3.31Å; H154-Y175 WeakPolarHBondContact NE2-CE2 3.27Å; H154-Y175 AromaticContact NE2-CZ 3.49Å; H154-Y175 PolarHBondContact NE2-OH 3.21Å; H158-Y175 HydrophobicContact CB-CD2 4.38Å; H158-Y175 HydrophobicContact CB-CE1 4.38Å; H158-Y175 HydrophobicContact CB-CE2 3.65Å; H158-Y175 AromaticContact CE1-CE1 3.69Å; H158-Y175 AromaticContact CG-CE1 3.95Å; H158-Y175 AromaticContact CG-CZ 3.68Å; H158-Y175 AromaticContact ND1-CD1 3.5Å; H158-Y175 AromaticContact ND1-CE1 2.96Å; H158-Y175 WeakPolarHBondContact ND1-CE1 3.48Å; H158-Y175 AromaticContact ND1-CE2 3.8Å; H158-Y175 AromaticContact ND1-CZ 3.15Å; H158-Y175 PolarHBondContact ND1-OH 3.35Å; L172-Y175 HydrophobicContact CD2-CD1 4.11Å; L172-Y175 HydrophobicContact CD2-CG 4.5Å; Y175-M177 HydrophobicContact CD2-CE 3.5Å; Y175-M177 VanDerWaalsContact CD2-CE 3.5Å; Y175-M177 HydrophobicContact CE2-CE 3.57Å; Y175-E190 CarbonylContact C-O 3.54Å; Y175-E190 WeakPolarHBondContact CA-O 3.38Å; Y175-E190 VanDerWaalsContact CB-O 3.3Å; Y175-E190 WeakPolarHBondContact CB-O 3.4Å
176	G	91.3	Very high	91.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.3	-178.7	0	0	0	0	0	110.2	T189 E190	G176-T189 CarbonylContact O-C 3.57Å; G176-T189 WeakPolarHBondContact O-CA 3.47Å; G176-T189 WeakPolarHBondContact O-CB 3.46Å; G176-T189 PolarHBondContact O-OG1 3.48Å; G176-E190 PolarHBondContact N-O 3.49Å; G176-E190 PolarHBondContact O-N 3.33Å
177	M	91.4	Very high	91.6	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.044	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	150.7	179	-65.1	-62.4	99.7	0	0	111.6	F129 S131 H154 W157 Y175 F186 T189	F129-M177 HydrophobicContact CZ-CB 4.23Å; F129-M177 VanDerWaalsContact CZ-O 3.29Å; F129-M177 WeakPolarHBondContact CZ-O 3.47Å; S131-M177 WeakPolarHBondContact CB-O 3.04Å; H154-M177 HydrophobicContact CB-SD 4.44Å; W157-M177 HydrophobicContact CB-CE 3.64Å; W157-M177 HydrophobicContact CB-SD 3.65Å; W157-M177 HydrophobicContact CG-SD 4.04Å; Y175-M177 HydrophobicContact CD2-CE 3.5Å; Y175-M177 VanDerWaalsContact CD2-CE 3.5Å; Y175-M177 HydrophobicContact CE2-CE 3.57Å; M177-F186 HydrophobicContact CB-CB 4.17Å; M177-F186 HydrophobicContact CB-CD1 3.51Å; M177-F186 HydrophobicContact CB-CD2 3.86Å; M177-F186 HydrophobicContact CB-CE1 3.78Å; M177-F186 HydrophobicContact CB-CE2 4.14Å; M177-F186 HydrophobicContact CB-CG 3.55Å; M177-F186 HydrophobicContact CB-CZ 4.09Å; M177-F186 HydrophobicContact CG-CB 4.47Å; M177-F186 HydrophobicContact CG-CD1 4.13Å; M177-F186 HydrophobicContact CG-CD2 3.53Å; M177-F186 HydrophobicContact CG-CE1 4.25Å; M177-F186 HydrophobicContact CG-CE2 3.7Å; M177-F186 HydrophobicContact CG-CG 3.77Å; M177-F186 HydrophobicContact CG-CZ 4.06Å; M177-F186 HydrophobicContact SD-CB 4.19Å; M177-F186 HydrophobicContact SD-CD2 3.66Å; M177-F186 HydrophobicContact SD-CE2 4.32Å; M177-F186 HydrophobicContact SD-CG 4Å; M177-T189 WeakPolarHBondContact CE-OG1 3.46Å
178	L	91.7	Very high	91.7	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.131	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.9	176	-59.9	174.4	0	0	0	110.2	H144 H187 G188 E190	H144-L178 HydrophobicContact CB-CD1 4.06Å; L178-H187 PolarHBondContact O-N 3.22Å; L178-G188 PolarHBondContact N-O 3.5Å; L178-G188 PolarHBondContact O-N 3.37Å; L178-E190 HydrophobicContact CD1-CB 4.37Å; L178-E190 HydrophobicContact CD2-CB 4.42Å; L178-E190 HydrophobicContact CD2-CG 4.05Å; L178-E190 HydrophobicContact CG-CB 4.47Å; L178-E190 HydrophobicContact CG-CG 4.36Å
179	L	89.3	Confident	92.1	Very high	78 Å²	78	42.1 Å²	42.1	41%	0.408	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53	95.7	171.1	-61.9	171.1	0	0	0	113.6	E146 M148 C181 F186 H187	E146-L179 HydrophobicContact CG-CD1 4.26Å; E146-L179 WeakPolarHBondContact OE1-CD1 3.44Å; M148-L179 HydrophobicContact SD-CD1 4.09Å; L179-C181 PolarHBondContact O-N 2.84Å; L179-F186 WeakPolarHBondContact O-CA 3.42Å; L179-H187 HydrophobicContact CB-CB 4.13Å; L179-H187 PolarHBondContact O-N 3.09Å
180	P	90.8	Very high	92.3	Very high	52 Å²	52	38 Å²	38	34%	0.338	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	137.2	175.7	29.9	-36.9	0	0	0	109.9	F129 K185 F186	F129-P180 HydrophobicContact CB-CG 3.52Å; F129-P180 HydrophobicContact CD1-CG 4.17Å; F129-P180 HydrophobicContact CD2-CB 4.41Å; F129-P180 HydrophobicContact CD2-CG 3.98Å; F129-P180 HydrophobicContact CG-CG 3.63Å; P180-K185 WeakPolarHBondContact CA-O 3.33Å; P180-F186 HydrophobicContact CB-CD1 4.11Å; P180-F186 HydrophobicContact CB-CE1 4.03Å
181	C	91.3	Very high	92.4	Very high	44 Å²	44	37.6 Å²	37.6	30%	0.297	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-24.3	178.7	56.5	0	0	0	0	112.3	C151 L179 K185 F186 H187	C151-C181 WeakPolarHBondContact CA-SG 3.34Å; C151-C181 HydrophobicContact CB-CB 3.85Å; C151-C181 WeakPolarHBondContact CB-SG 3.39Å; C151-C181 WeakPolarHBondContact SG-CB 3.39Å; C151-C181 CovalentContact SG-SG 2.02Å; C151-C181 PolarHBondContact SG-SG 2.96Å; L179-C181 PolarHBondContact O-N 2.84Å; C181-K185 PolarHBondContact N-O 2.86Å; C181-K185 PolarHBondContact SG-O 3.02Å; C181-K185 VanDerWaalsContact SG-O 3.37Å; C181-F186 VanDerWaalsContact SG-C 3.56Å; C181-F186 PolarHBondContact SG-N 2.97Å; C181-F186 VanDerWaalsContact SG-N 3.36Å; C181-H187 WeakPolarHBondContact CB-NE2 3.27Å
182	D	90.2	Very high	92.5	Very high	74 Å²	74	32.3 Å²	32.3	40%	0.396	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	-179.9	176.5	-160	-3.1	0	0	0	108.7	N91 D184 K185	N91-D182 PolarHBondContact ND2-O 3.42Å; N91-D182 VanDerWaalsContact ND2-O 3.17Å; D182-D184 PolarHBondContact O-N 3.48Å; D182-K185 HydrophobicContact CB-CB 3.94Å; D182-K185 HydrophobicContact CB-CD 3.88Å; D182-K185 HydrophobicContact CB-CG 4.15Å; D182-K185 PolarHBondContact N-O 3.39Å; D182-K185 PolarHBondContact O-N 2.93Å; D182-K185 VanDerWaalsContact O-O 3.14Å; D182-K185 IonicContact OD2-NZ 3.77Å; D182-K185 PolarHBondContact OD2-NZ 3.23Å
183	I	89.4	Confident	92.6	Very high	38 Å²	38	30.6 Å²	30.6	20%	0.195	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	122.3	178.3	-61.5	165.8	0	0	0	109.8	K73 E74 L77 N91 V92 K185	K73-I183 HydrophobicContact CB-CG2 3.95Å; E74-I183 HydrophobicContact CB-CD1 4.42Å; E74-I183 HydrophobicContact CG-CD1 3.8Å; L77-I183 HydrophobicContact CD2-CD1 3.96Å; L77-I183 HydrophobicContact CD2-CG1 4.2Å; N91-I183 VanDerWaalsContact OD1-CA 3.31Å; N91-I183 WeakPolarHBondContact OD1-CA 3.42Å; V92-I183 HydrophobicContact CG2-CG2 3.97Å; I183-K185 PolarHBondContact O-N 3.09Å
184	D	87.7	Confident	92.7	Very high	9 Å²	9	26 Å²	26	5%	0.048	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	26.4	-174.2	-167.2	35.3	0	0	0	114.1	K73 N91 V92 S153 H154 D182	K73-D184 HydrophobicContact CD-CB 4.19Å; K73-D184 WeakPolarHBondContact CD-OD2 3.37Å; K73-D184 WeakPolarHBondContact CE-OD2 3.43Å; K73-D184 HydrophobicContact CG-CB 4.31Å; K73-D184 IonicContact NZ-OD2 3.76Å; K73-D184 PolarHBondContact NZ-OD2 2.62Å; N91-D184 PolarHBondContact OD1-N 3.1Å; N91-D184 VanDerWaalsContact OD1-N 3.14Å; V92-D184 WeakPolarHBondContact O-CA 3.35Å; V92-D184 PolarHBondContact O-N 3.3Å; S153-D184 WeakPolarHBondContact CA-O 2.96Å; H154-D184 PolarHBondContact N-O 2.73Å; D182-D184 PolarHBondContact O-N 3.48Å
185	K	91.6	Very high	92.7	Very high	76 Å²	76	27 Å²	27	33%	0.33	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.6	175.9	-52.3	-178	-159.2	148	0	112.9	C151 I152 P180 C181 D182 I183	C151-K185 VanDerWaalsContact SG-CB 3.59Å; I152-K185 VanDerWaalsContact O-CA 3.3Å; I152-K185 WeakPolarHBondContact O-CA 3.25Å; P180-K185 WeakPolarHBondContact CA-O 3.33Å; C181-K185 PolarHBondContact N-O 2.86Å; C181-K185 PolarHBondContact SG-O 3.02Å; C181-K185 VanDerWaalsContact SG-O 3.37Å; D182-K185 HydrophobicContact CB-CB 3.94Å; D182-K185 HydrophobicContact CB-CD 3.88Å; D182-K185 HydrophobicContact CB-CG 4.15Å; D182-K185 PolarHBondContact N-O 3.39Å; D182-K185 PolarHBondContact O-N 2.93Å; D182-K185 VanDerWaalsContact O-O 3.14Å; D182-K185 IonicContact OD2-NZ 3.77Å; D182-K185 PolarHBondContact OD2-NZ 3.23Å; I183-K185 PolarHBondContact O-N 3.09Å
186	F	94.4	Very high	92.1	Very high	1 Å²	1	29 Å²	29	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.9	-168.3	-56	-85.1	0	0	0	111.9	V93 F129 I152 H154 W157 M177 L179 P180 C181	V93-F186 HydrophobicContact CB-CZ 4.2Å; V93-F186 HydrophobicContact CG2-CE2 3.92Å; V93-F186 HydrophobicContact CG2-CZ 3.97Å; F129-F186 HydrophobicContact CD2-CE1 4.24Å; F129-F186 HydrophobicContact CE2-CD1 4.23Å; F129-F186 AromaticContact CE2-CE1 3.55Å; F129-F186 HydrophobicContact CE2-CE1 3.55Å; F129-F186 HydrophobicContact CE2-CZ 4.48Å; F129-F186 HydrophobicContact CZ-CD1 4.25Å; F129-F186 HydrophobicContact CZ-CE1 4.01Å; I152-F186 PolarHBondContact N-O 3.33Å; I152-F186 PolarHBondContact O-N 3.34Å; H154-F186 HydrophobicContact CB-CE2 4.36Å; W157-F186 PolarHBondContact NE1-O 3.04Å; M177-F186 HydrophobicContact CB-CB 4.17Å; M177-F186 HydrophobicContact CB-CD1 3.51Å; M177-F186 HydrophobicContact CB-CD2 3.86Å; M177-F186 HydrophobicContact CB-CE1 3.78Å; M177-F186 HydrophobicContact CB-CE2 4.14Å; M177-F186 HydrophobicContact CB-CG 3.55Å; M177-F186 HydrophobicContact CB-CZ 4.09Å; M177-F186 HydrophobicContact CG-CB 4.47Å; M177-F186 HydrophobicContact CG-CD1 4.13Å; M177-F186 HydrophobicContact CG-CD2 3.53Å; M177-F186 HydrophobicContact CG-CE1 4.25Å; M177-F186 HydrophobicContact CG-CE2 3.7Å; M177-F186 HydrophobicContact CG-CG 3.77Å; M177-F186 HydrophobicContact CG-CZ 4.06Å; M177-F186 HydrophobicContact SD-CB 4.19Å; M177-F186 HydrophobicContact SD-CD2 3.66Å; M177-F186 HydrophobicContact SD-CE2 4.32Å; M177-F186 HydrophobicContact SD-CG 4Å; L179-F186 WeakPolarHBondContact O-CA 3.42Å; P180-F186 HydrophobicContact CB-CD1 4.11Å; P180-F186 HydrophobicContact CB-CE1 4.03Å; C181-F186 VanDerWaalsContact SG-C 3.56Å; C181-F186 PolarHBondContact SG-N 2.97Å; C181-F186 VanDerWaalsContact SG-N 3.36Å
187	H	94.9	Very high	90.7	Very high	35 Å²	35	31.4 Å²	31.4	16%	0.162	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-13.9	174.8	-75.5	-57	0	0	0	113.7	R147 M148 L150 W157 L178 L179 C181	R147-H187 PolarHBondContact N-O 2.92Å; R147-H187 PolarHBondContact O-ND1 2.95Å; M148-H187 PolarHBondContact O-CE1 2.96Å; M148-H187 HydrophobicContact SD-CB 4.17Å; L150-H187 PolarHBondContact O-ND1 3.19Å; W157-H187 WeakPolarHBondContact CH2-O 3.36Å; W157-H187 WeakPolarHBondContact CZ2-O 3.44Å; L178-H187 PolarHBondContact O-N 3.22Å; L179-H187 HydrophobicContact CB-CB 4.13Å; L179-H187 PolarHBondContact O-N 3.09Å; C181-H187 WeakPolarHBondContact CB-NE2 3.27Å
188	G	94.3	Very high	88.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	178.1	179.5	0	0	0	0	0	114.6	K145 L178	K145-G188 CarbonylContact O-C 3.54Å; K145-G188 WeakPolarHBondContact O-CA 3.44Å; L178-G188 PolarHBondContact N-O 3.5Å; L178-G188 PolarHBondContact O-N 3.37Å
189	T	94.9	Very high	86.4	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.7	171.9	-175.1	0	0	0	0	110.8	H144 K145 W157 A161 G176 M177 Y191	H144-T189 CarbonylContact C-O 3.51Å; H144-T189 WeakPolarHBondContact CA-O 3.23Å; K145-T189 PolarHBondContact N-O 3.37Å; K145-T189 PolarHBondContact O-N 2.96Å; W157-T189 HydrophobicContact CB-CG2 4.17Å; W157-T189 HydrophobicContact CD2-CG2 4.17Å; W157-T189 HydrophobicContact CE3-CG2 3.51Å; W157-T189 HydrophobicContact CG-CG2 4.47Å; W157-T189 HydrophobicContact CZ3-CG2 4.25Å; A161-T189 HydrophobicContact CB-CG2 4.25Å; G176-T189 CarbonylContact O-C 3.57Å; G176-T189 WeakPolarHBondContact O-CA 3.47Å; G176-T189 WeakPolarHBondContact O-CB 3.46Å; G176-T189 PolarHBondContact O-OG1 3.48Å; M177-T189 WeakPolarHBondContact CE-OG1 3.46Å; T189-Y191 HydrophobicContact CG2-CD1 4.08Å; T189-Y191 HydrophobicContact CG2-CE1 4.44Å
190	E	95.1	Very high	83.7	Confident	22 Å²	22	50.3 Å²	50.3	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	147.2	165.3	53.1	-177.1	-179.5	0	0	109.7	S131 L134 F142 F143 H144 Y175 G176 L178	S131-E190 WeakPolarHBondContact CB-OE1 3.29Å; S131-E190 PolarHBondContact OG-OE1 2.85Å; L134-E190 HydrophobicContact CD1-CB 4.19Å; L134-E190 HydrophobicContact CD1-CG 3.78Å; L134-E190 HydrophobicContact CG-CG 4.33Å; F142-E190 HydrophobicContact CE2-CB 3.92Å; F142-E190 HydrophobicContact CZ-CB 3.71Å; F142-E190 WeakPolarHBondContact CZ-OE2 3.36Å; F143-E190 CarbonylContact O-C 3.49Å; F143-E190 WeakPolarHBondContact O-CA 3.46Å; H144-E190 HydrophobicContact CB-CB 4.12Å; Y175-E190 CarbonylContact C-O 3.54Å; Y175-E190 WeakPolarHBondContact CA-O 3.38Å; Y175-E190 VanDerWaalsContact CB-O 3.3Å; Y175-E190 WeakPolarHBondContact CB-O 3.4Å; G176-E190 PolarHBondContact N-O 3.49Å; G176-E190 PolarHBondContact O-N 3.33Å; L178-E190 HydrophobicContact CD1-CB 4.37Å; L178-E190 HydrophobicContact CD2-CB 4.42Å; L178-E190 HydrophobicContact CD2-CG 4.05Å; L178-E190 HydrophobicContact CG-CB 4.47Å; L178-E190 HydrophobicContact CG-CG 4.36Å
191	Y	95.4	Very high	80.9	Confident	19 Å²	19	56.7 Å²	56.7	8%	0.075	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	148.1	-172.8	56.5	-82.3	0	0	0	113.3	F143 K145 A161 A164 L172 S174 T189	F143-Y191 HydrophobicContact CB-CD1 4.43Å; F143-Y191 HydrophobicContact CB-CD2 4.01Å; F143-Y191 HydrophobicContact CB-CE1 3.98Å; F143-Y191 HydrophobicContact CB-CE2 3.53Å; F143-Y191 HydrophobicContact CB-CG 4.42Å; F143-Y191 VanDerWaalsContact CB-CZ 3.49Å; F143-Y191 HydrophobicContact CD2-CD2 4.34Å; F143-Y191 AromaticContact CD2-CE2 3.99Å; F143-Y191 HydrophobicContact CD2-CE2 3.99Å; F143-Y191 HydrophobicContact CG-CE2 4.02Å; F143-Y191 PolarHBondContact N-O 3.39Å; F143-Y191 PolarHBondContact O-N 2.98Å; K145-Y191 HydrophobicContact CB-CE1 4.28Å; A161-Y191 HydrophobicContact CB-CD1 3.79Å; A161-Y191 HydrophobicContact CB-CD2 4.17Å; A161-Y191 HydrophobicContact CB-CE1 4.48Å; A161-Y191 HydrophobicContact CB-CG 3.63Å; A164-Y191 HydrophobicContact CB-CE2 3.72Å; A164-Y191 VanDerWaalsContact CB-OH 3.31Å; A164-Y191 WeakPolarHBondContact CB-OH 3.34Å; L172-Y191 HydrophobicContact CD1-CD2 4.27Å; L172-Y191 HydrophobicContact CD1-CG 4.33Å; S174-Y191 CarbonylContact O-C 3.53Å; S174-Y191 VanDerWaalsContact O-CA 3.32Å; S174-Y191 WeakPolarHBondContact O-CA 3.4Å; T189-Y191 HydrophobicContact CG2-CD1 4.08Å; T189-Y191 HydrophobicContact CG2-CE1 4.44Å
192	V	95.6	Very high	77.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.4	177.6	-179.2	0	0	0	0	109.2	L134 V136 C140 K141 F142 H173 S174	L134-V192 HydrophobicContact CB-CG2 4.15Å; L134-V192 HydrophobicContact CD1-CG2 4.33Å; V136-V192 HydrophobicContact CG1-CG1 4.12Å; V136-V192 HydrophobicContact CG2-CG2 3.94Å; C140-V192 HydrophobicContact CB-CG1 3.64Å; K141-V192 CarbonylContact O-C 3.52Å; K141-V192 WeakPolarHBondContact O-CA 3.32Å; F142-V192 HydrophobicContact CD2-CG2 4Å; H173-V192 HydrophobicContact CB-CB 4.45Å; H173-V192 HydrophobicContact CB-CG1 4.33Å; H173-V192 WeakPolarHBondContact CB-O 3.13Å; H173-V192 PolarHBondContact N-O 2.8Å; S174-V192 PolarHBondContact O-N 3.01Å; S174-V192 WeakPolarHBondContact OG-CB 3.36Å; S174-V192 WeakPolarHBondContact OG-CG2 3.43Å
193	C	96.5	Very high	75.6	Confident	1 Å²	1	61 Å²	61	1%	0.007	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.8	172.7	-52.2	0	0	0	0	110	C140 K141 F143 C165 M170 M171	C140-C193 CarbonylContact C-O 3.15Å; C140-C193 WeakPolarHBondContact CA-O 3.34Å; K141-C193 PolarHBondContact N-O 3.44Å; K141-C193 PolarHBondContact O-N 3.46Å; F143-C193 HydrophobicContact CD2-CB 4.28Å; F143-C193 HydrophobicContact CE2-CB 3.96Å; C165-C193 WeakPolarHBondContact CA-SG 3.44Å; C165-C193 HydrophobicContact CB-CB 3.73Å; C165-C193 WeakPolarHBondContact CB-SG 3.36Å; C165-C193 VanDerWaalsContact SG-CA 3.54Å; C165-C193 WeakPolarHBondContact SG-CB 3.39Å; C165-C193 CovalentContact SG-SG 2.03Å; C165-C193 PolarHBondContact SG-SG 3.38Å; M170-C193 HydrophobicContact CB-CB 3.82Å; M170-C193 HydrophobicContact SD-CB 4.02Å; M171-C193 CarbonylContact O-C 3.21Å; M171-C193 WeakPolarHBondContact O-CA 3.03Å
194	C	95.5	Very high	73.1	Confident	15 Å²	15	64.6 Å²	64.6	10%	0.101	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.1	175.5	-65.1	0	0	0	0	110.6	C140 M170 M171 H173 A196	C140-C194 HydrophobicContact CB-CB 4.03Å; C140-C194 WeakPolarHBondContact CB-SG 3.49Å; C140-C194 WeakPolarHBondContact SG-CB 3.43Å; C140-C194 CovalentContact SG-SG 2.02Å; C140-C194 PolarHBondContact SG-SG 2.98Å; M170-C194 CarbonylContact C-O 3.52Å; M170-C194 WeakPolarHBondContact CA-O 3.37Å; M170-C194 VanDerWaalsContact CB-O 3.27Å; M170-C194 WeakPolarHBondContact CB-O 3.48Å; M171-C194 PolarHBondContact N-O 2.87Å; M171-C194 PolarHBondContact O-N 3.46Å; H173-C194 HydrophobicContact CB-CB 4.28Å; H173-C194 WeakPolarHBondContact CB-SG 3.32Å; C194-A196 PolarHBondContact O-N 3.2Å
195	P	92.4	Very high	70.3	Confident	49 Å²	49	70.3 Å²	70.3	32%	0.318	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	141.8	169.1	-21.7	31.3	0	0	0	109.6	K139 M170 S197	K139-P195 HydrophobicContact CB-CG 4.28Å; K139-P195 WeakPolarHBondContact O-CD 3.36Å; K139-P195 WeakPolarHBondContact O-CG 3.29Å; M170-P195 HydrophobicContact CE-CG 4.04Å; P195-S197 PolarHBondContact O-N 3.04Å; P195-S197 PolarHBondContact O-OG 3.06Å
196	A	79.6	Confident	67.4	Low	62 Å²	62	72.1 Å²	72.1	51%	0.512	41%	0.413	S	S	.	.			trans	-70.6	61.8	168.9	0	0	0	0	0	109.7	M171 C194	M171-A196 HydrophobicContact CE-CB 4.39Å; M171-A196 HydrophobicContact CG-CB 4.04Å; M171-A196 HydrophobicContact SD-CB 4.44Å; C194-A196 PolarHBondContact O-N 3.2Å
197	S	62.5	Low	64.3	Low	51 Å²	51	79.7 Å²	79.7	36%	0.357	45%	0.453	S	S	.	.			trans	-60.9	145	162.2	46.1	0	0	0	0	107	P195 F199	P195-S197 PolarHBondContact O-N 3.04Å; P195-S197 PolarHBondContact O-OG 3.06Å; S197-F199 PolarHBondContact O-N 3.13Å; S197-F199 WeakPolarHBondContact OG-CD2 3.3Å; S197-F199 WeakPolarHBondContact OG-CE2 3.13Å
198	R	50.2	Low	61.2	Low	249 Å²	249	83.6 Å²	83.6	94%	0.94	48%	0.482	S	S	*	.			trans	-67.8	67	165.4	-59.5	-177.2	-176	179.9	0.7	108.3	A200	R198-A200 PolarHBondContact O-N 3.17Å
199	F	42.2	Very low	58	Low	176 Å²	176	89 Å²	89	77%	0.772	52%	0.52	S	S	*	.			trans	-74.9	78.3	157.2	-71.1	-57.7	0	0	0	105.9	S197 E201	S197-F199 PolarHBondContact O-N 3.13Å; S197-F199 WeakPolarHBondContact OG-CD2 3.3Å; S197-F199 WeakPolarHBondContact OG-CE2 3.13Å; F199-E201 PolarHBondContact O-N 2.93Å; F199-E201 VanDerWaalsContact O-N 3.1Å
200	A	33.2	Very low	54.9	Low	84 Å²	84	97.2 Å²	97.2	69%	0.694	56%	0.558	S	S	*	*			trans	-67.5	94.1	149.4	0	0	0	0	0	105.3	R198 S202	R198-A200 PolarHBondContact O-N 3.17Å; A200-S202 PolarHBondContact O-N 3.11Å
201	E	31.1	Very low	51.8	Low	186 Å²	186	105.3 Å²	105.3	87%	0.869	60%	0.596	S	S	*	*			trans	-61.7	99.4	139.7	-80.3	-173.3	157.3	0	0	105.1	F199 P203	F199-E201 PolarHBondContact O-N 2.93Å; F199-E201 VanDerWaalsContact O-N 3.1Å; E201-P203 VanDerWaalsContact O-CD 3.28Å; E201-P203 WeakPolarHBondContact O-CD 3.33Å
202	S	27.4	Very low	48.5	Very low	100 Å²	100	112.9 Å²	112.9	70%	0.699	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-58.4	120.7	164.2	47.6	0	0	0	0	107.5	A200	A200-S202 PolarHBondContact O-N 3.11Å
203	P	42.9	Very low	45.3	Very low	108 Å²	108	120.1 Å²	120.1	70%	0.701	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-57.8	149.4	159.1	-12.9	27.4	0	0	0	108.3	E201	E201-P203 VanDerWaalsContact O-CD 3.28Å; E201-P203 WeakPolarHBondContact O-CD 3.33Å
204	P	37.1	Very low	42.2	Very low	114 Å²	114	126.8 Å²	126.8	74%	0.74	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-54.8	143	172.9	23.5	-32	0	0	0	109.6	S206	P204-S206 PolarHBondContact O-N 3.29Å
205	P	29.9	Very low	39	Very low	129 Å²	129	132.4 Å²	132.4	84%	0.838	74%	0.735	S	S	*	*			trans	-64.8	107.5	-168.5	25.3	-33.2	0	0	0	110.9	L207	P205-L207 PolarHBondContact O-N 2.89Å
206	S	31	Very low	36.1	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	75%	0.754	S	S	*	*			trans	-75.4	114.2	157.9	52.4	0	0	0	0	108.2	P204	P204-S206 PolarHBondContact O-N 3.29Å
207	L	29.4	Very low	33.8	Very low	161 Å²	161	141.2 Å²	141.2	84%	0.843	77%	0.766	S	S	*	*			trans	-54.3	146.1	165.2	-81.5	148.8	0	0	0	110.1	P205 S209	P205-L207 PolarHBondContact O-N 2.89Å; L207-S209 PolarHBondContact O-N 2.89Å
208	P	29.5	Very low	32.3	Very low	116 Å²	116	145.3 Å²	145.3	75%	0.753	78%	0.784	S	S	*	*			trans	-72.6	123	-161.6	28.6	-32.8	0	0	0	111.6	Q210	P208-Q210 PolarHBondContact O-N 3.31Å
209	S	27	Very low	31.4	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	78%	0.775	S	S	*	*			trans	-73	107.6	158.7	46.4	0	0	0	0	108.2	L207 E211	L207-S209 PolarHBondContact O-N 2.89Å; S209-E211 PolarHBondContact O-N 3.06Å
210	Q	29.8	Very low	30.8	Very low	172 Å²	172	140.6 Å²	140.6	80%	0.804	78%	0.775	S	S	*	*			trans	-63	124.1	155.9	-76.7	175	-40.5	0	0	107.5	P208 E212	P208-Q210 PolarHBondContact O-N 3.31Å; Q210-E212 PolarHBondContact O-N 2.89Å
211	E	29.1	Very low	30.8	Very low	193 Å²	193	141.5 Å²	141.5	90%	0.902	77%	0.771	S	S	*	*			trans	-75	109.7	157.8	-68.1	179.5	175	0	0	106.8	S209	S209-E211 PolarHBondContact O-N 3.06Å
212	E	27.1	Very low	30.7	Very low	177 Å²	177	140.4 Å²	140.4	83%	0.827	77%	0.766	S	S	*	*			trans	-128.5	117.5	150	-71.7	-171.1	176.8	0	0	106.6	Q210	Q210-E212 PolarHBondContact O-N 2.89Å
213	D	28.2	Very low	30.8	Very low	152 Å²	152	141 Å²	141	81%	0.813	76%	0.761	S	S	*	*			trans	-62.9	167.2	165.5	-80.8	-48.2	0	0	0	111.1
214	D	30.2	Very low	30.3	Very low	141 Å²	141	143.7 Å²	143.7	75%	0.754	77%	0.765	S	S	*	*			trans	102.8	104.6	159.9	-59	-25	0	0	0	118.7
215	D	29.7	Very low	30.1	Very low	133 Å²	133	144.8 Å²	144.8	71%	0.711	76%	0.764	S	S	*	*				69.9	129.1	124.2	-66.4	-22	0	0	0	123.9
216	D	31.2	Very low	30.3	Very low	136 Å²	136	144.6 Å²	144.6	73%	0.727	76%	0.76	S	S	*	*			trans	85.1	123.6	138	-67.1	-27.8	0	0	0	124.3
217	E	32.2	Very low	30.4	Very low	160 Å²	160	143.1 Å²	143.1	75%	0.748	76%	0.755	S	S	*	*			trans	69.2	112.7	135.5	-64.4	-169.7	172.6	0	0	122.9
218	D	29.9	Very low	30.5	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	76%	0.756	S	S	*	*				74.5	137.3	121.9	-72.1	-26.7	0	0	0	125.3
219	E	31.9	Very low	30.4	Very low	164 Å²	164	140.7 Å²	140.7	77%	0.766	75%	0.75	S	S	*	*			trans	88.8	106.5	140.7	-82.6	-168.2	-165.2	0	0	123.3
220	H	29.4	Very low	30.5	Very low	163 Å²	163	141.9 Å²	141.9	76%	0.755	75%	0.747	S	S	*	*				79.6	109.1	114.3	-94.7	-110.6	0	0	0	122.8
221	V	31.8	Very low	30.5	Very low	103 Å²	103	140 Å²	140	62%	0.624	74%	0.743	S	S	*	*				69.4	149.3	128	-135	0	0	0	0	124.5
222	E	29.3	Very low	30.4	Very low	162 Å²	162	139.1 Å²	139.1	76%	0.757	74%	0.739	S	S	*	*			trans	87.3	138.2	147.9	-63.2	-161.8	-177.4	0	0	115.9
223	N	30.9	Very low	31.5	Very low	113 Å²	113	134.7 Å²	134.7	60%	0.604	73%	0.725	S	S	*	*			cis	-179.8	168.3	-14.3	-114.6	-29.5	0	0	0	104.9
224	E	32.9	Very low	31.6	Very low	165 Å²	165	134 Å²	134	77%	0.771	72%	0.72	S	S	*	*			trans	71.9	142.9	147.9	-76.4	171.9	-152.2	0	0	118.8
225	D	32.5	Very low	31.6	Very low	137 Å²	137	134.4 Å²	134.4	73%	0.733	72%	0.718	S	S	*	*			cis	179.9	176.2	-18.3	-122.1	-18.1	0	0	0	106.2
226	V	33.7	Very low	31.5	Very low	124 Å²	124	135 Å²	135	75%	0.752	72%	0.717	S	S	*	*			trans	81.9	101.7	159	-149	0	0	0	0	115.9
227	A	33	Very low	31.2	Very low	82 Å²	82	134 Å²	134	68%	0.678	72%	0.715	S	S	*	*			cis	95.8	148.5	41.8	0	0	0	0	0	114.9
228	L	30.9	Very low	30.9	Very low	167 Å²	167	131.8 Å²	131.8	87%	0.874	71%	0.713	S	S	*	*			trans	83.6	129.5	161.2	-49.8	171	0	0	0	115.3
229	G	28	Very low	30.8	Very low	60 Å²	60	131.3 Å²	131.3	62%	0.619	72%	0.715	S	S	*	*			cis	145.2	138.8	10.4	0	0	0	0	0	109.3
230	D	29.4	Very low	30.5	Very low	139 Å²	139	132.8 Å²	132.8	74%	0.743	72%	0.719	S	S	*	*			trans	79.5	115	142.8	-56.8	-10	0	0	0	121.5
231	D	28.8	Very low	30.3	Very low	133 Å²	133	129.1 Å²	129.1	71%	0.711	72%	0.716	S	S	*	*				72.9	110.6	116.6	-65.2	-28.9	0	0	0	121.4
232	E	27.7	Very low	30.1	Very low	174 Å²	174	131.1 Å²	131.1	81%	0.813	72%	0.724	S	S	*	*				54.1	170.5	111.1	-99.3	-143.7	148.2	0	0	119.8
233	P	50.8	Low	30	Very low	83 Å²	83	132.2 Å²	132.2	54%	0.539	73%	0.726	S	S	.	*			cis	-137.9	-161.2	-48.7	31.7	-9.7	0	0	0	111.6
234	L	29.9	Very low	29.9	Very low	137 Å²	137	135.5 Å²	135.5	72%	0.717	74%	0.738	S	S	*	*			trans	102.5	127.6	143.8	-73.2	158.9	0	0	0	122
235	E	29.6	Very low	30.2	Very low	150 Å²	150	132.3 Å²	132.3	70%	0.701	73%	0.731	S	S	*	*			trans	84	147.4	131	-76.5	-173.7	-162.1	0	0	120.4
236	E	28.3	Very low	29.9	Very low	146 Å²	146	133.9 Å²	133.9	68%	0.682	74%	0.738	S	S	*	*			cis	-177.6	171.4	-16.9	-158.9	-178.1	-151.5	0	0	106
237	T	25.4	Very low	29.7	Very low	114 Å²	114	136.1 Å²	136.1	70%	0.699	74%	0.74	S	S	*	*			trans	88.4	148.5	153.3	76.8	0	0	0	0	120.1
238	V	25.8	Very low	29.5	Very low	115 Å²	115	142.2 Å²	142.2	70%	0.697	75%	0.752	S	S	*	*			cis	-174.3	156.4	-28.8	170.1	0	0	0	0	102.8
239	T	25.9	Very low	29.6	Very low	127 Å²	127	142.8 Å²	142.8	78%	0.779	75%	0.75	S	S	*	*			trans	92.2	146.2	155.4	70.2	0	0	0	0	118.4
240	K	26.2	Very low	29.7	Very low	195 Å²	195	149.1 Å²	149.1	85%	0.848	76%	0.763	S	S	*	*			cis	-172.6	138	-30.3	-140.7	176.7	-173.2	175.2	0	106.2
241	A	25.1	Very low	30.2	Very low	85 Å²	85	146.9 Å²	146.9	70%	0.702	76%	0.764	S	S	*	*			trans	53.1	121.7	144.8	0	0	0	0	0	122.4
242	N	27.6	Very low	30.4	Very low	146 Å²	146	146 Å²	146	78%	0.781	76%	0.763	S	S	*	*				179.8	124.8	97.9	-110.8	-9.9	0	0	0	114.7
243	K	26.7	Very low	30.8	Very low	185 Å²	185	144 Å²	144	80%	0.804	76%	0.758	S	S	*	*			trans	35.1	111.4	137.6	-66	-179.3	174.2	-175.3	0	122.7
244	E	29	Very low	30.1	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	77%	0.771	S	S	*	*				24.7	165.9	112.8	-77.5	-171.5	163.1	0	0	121.8
245	P	38.8	Very low	30.5	Very low	98 Å²	98	146.8 Å²	146.8	64%	0.636	76%	0.764	S	S	*	*			cis	-138.2	-177	-46.7	38.6	-19.9	0	0	0	110.8
246	I	26.7	Very low	30.8	Very low	171 Å²	171	148.2 Å²	148.2	88%	0.877	77%	0.77	S	S	*	*			trans	-163.1	115.4	141.1	-90.2	141.7	0	0	0	107.3
247	Q	30.8	Very low	31.3	Very low	171 Å²	171	147.1 Å²	147.1	80%	0.799	77%	0.769	S	S	*	*			trans	-77.7	152.2	166	-68.7	167.8	-19	0	0	109.7
248	K	27.6	Very low	31.9	Very low	210 Å²	210	149.8 Å²	149.8	91%	0.913	77%	0.774	S	S	*	*			trans	-159.7	107.5	136.4	-105	178	-174.3	-161.5	0	109.1
249	E	34	Very low	32.5	Very low	179 Å²	179	151.8 Å²	151.8	84%	0.836	78%	0.775	S	S	*	*			trans	-65.5	147.3	157.8	-63.5	169.8	170.2	0	0	108.9
250	E	30.2	Very low	32.9	Very low	192 Å²	192	152 Å²	152	90%	0.897	77%	0.768	S	S	*	*			trans	-152.9	114.9	142.7	-114	170.4	-156.7	0	0	108.2
251	A	38.4	Very low	33.3	Very low	92 Å²	92	150.3 Å²	150.3	76%	0.76	76%	0.763	S	S	*	*			trans	-77.1	138.1	163.7	0	0	0	0	0	108.6
252	V	33.4	Very low	33.9	Very low	115 Å²	115	153 Å²	153	70%	0.697	76%	0.76	S	S	*	*			trans	-142.2	103.8	159	179.1	0	0	0	0	106.9
253	D	35.6	Very low	34.2	Very low	131 Å²	131	154.2 Å²	154.2	70%	0.701	76%	0.762	S	S	*	*			trans	-63.7	131.2	151.4	-73.1	-59.7	0	0	0	108
254	E	36.8	Very low	34.9	Very low	173 Å²	173	151.3 Å²	151.3	81%	0.808	76%	0.755	S	S	*	*			trans	-145.4	103.7	151.1	-98.6	171.3	-162.8	0	0	106.5
255	D	37.6	Very low	35.6	Very low	107 Å²	107	150.5 Å²	150.5	57%	0.572	75%	0.751	S	S	*	*			trans	-63.4	121.2	164.5	-58.7	-75.2	0	0	0	108	R431	D255-R431 IonicContact OD1-NH1 2.66Å; D255-R431 PolarHBondContact OD1-NH1 3.49Å; D255-R431 VanDerWaalsContact OD1-NH1 3.1Å
256	E	36.7	Very low	35.3	Very low	179 Å²	179	151.2 Å²	151.2	84%	0.836	75%	0.75	S	S	*	*			trans	-107.3	99.7	159.2	-77.1	-171.4	162.7	0	0	107.3	E258	E256-E258 PolarHBondContact O-N 3.1Å; E256-E258 VanDerWaalsContact O-N 3.11Å
257	D	38.1	Very low	35.9	Very low	124 Å²	124	151.4 Å²	151.4	66%	0.663	75%	0.747	S	S	*	*			trans	-63.3	97.6	164	-67.4	-56.3	0	0	0	108.6	E259	D257-E259 PolarHBondContact O-N 3.34Å; D257-E259 VanDerWaalsContact O-N 3.09Å
258	E	38.3	Very low	36.1	Very low	169 Å²	169	150.1 Å²	150.1	79%	0.79	74%	0.736	S	S	*	*			trans	-74.1	87.5	155	-76.5	-177	166.5	0	0	107.2	E256 E260	E256-E258 PolarHBondContact O-N 3.1Å; E256-E258 VanDerWaalsContact O-N 3.11Å; E258-E260 PolarHBondContact O-N 3.11Å
259	E	38.7	Very low	36.4	Very low	158 Å²	158	146.2 Å²	146.2	74%	0.738	73%	0.725	S	S	*	*			trans	-60.3	83.6	153.7	-70.3	-173.2	163.6	0	0	107.6	D257 E261	D257-E259 PolarHBondContact O-N 3.34Å; D257-E259 VanDerWaalsContact O-N 3.09Å; E259-E261 PolarHBondContact O-N 3.35Å
260	E	34.7	Very low	36.5	Very low	132 Å²	132	141.2 Å²	141.2	62%	0.617	70%	0.699	S	S	*	*			trans	-66.3	85.8	149.3	-75	-171.1	161.7	0	0	106.2	E258 E262	E258-E260 PolarHBondContact O-N 3.11Å; E260-E262 PolarHBondContact O-N 3.2Å
261	E	34.5	Very low	36.5	Very low	158 Å²	158	137.1 Å²	137.1	74%	0.738	69%	0.687	S	S	*	*			trans	-54.6	89.3	147.4	-70.1	-173.5	161.1	0	0	106	E259 E263	E259-E261 PolarHBondContact O-N 3.35Å; E261-E263 PolarHBondContact O-N 2.94Å
262	E	36.9	Very low	36.5	Very low	141 Å²	141	136.5 Å²	136.5	66%	0.659	67%	0.665	S	S	*	*			trans	-57	101.1	152.5	-71.8	-102	-175.9	0	0	104.2	E260 D264	E260-E262 PolarHBondContact O-N 3.2Å; E262-D264 PolarHBondContact O-N 3.08Å
263	E	34	Very low	36.3	Very low	173 Å²	173	133.2 Å²	133.2	81%	0.808	66%	0.655	S	S	*	*			trans	-55.3	89.5	166.7	-73.3	177.5	160.4	0	0	106.6	E261 E265	E261-E263 PolarHBondContact O-N 2.94Å; E263-E265 PolarHBondContact O-N 2.81Å
264	D	43	Very low	36.4	Very low	123 Å²	123	133.1 Å²	133.1	66%	0.658	65%	0.654	S	S	*	*			trans	-67.9	65.6	164.9	-77.6	-45.5	0	0	0	107.8	E262	E262-D264 PolarHBondContact O-N 3.08Å
265	E	42.1	Very low	36.3	Very low	165 Å²	165	133.7 Å²	133.7	77%	0.771	66%	0.657	S	S	*	*			trans	-117.4	99.5	159.9	-79.3	-168.9	172.3	0	0	106.3	E263	E263-E265 PolarHBondContact O-N 2.81Å
266	D	34	Very low	36.6	Very low	113 Å²	113	137.1 Å²	137.1	60%	0.604	67%	0.669	S	S	*	*			trans	174.2	66.2	144.7	-81.3	-25	0	0	0	109.1	Y268	D266-Y268 HydrophobicContact CB-CD2 3.6Å; D266-Y268 HydrophobicContact CB-CE2 3.57Å; D266-Y268 PolarHBondContact O-N 2.92Å; D266-Y268 WeakPolarHBondContact OD1-CE2 3.31Å; D266-Y268 VanDerWaalsContact OD1-CZ 3.26Å; D266-Y268 PolarHBondContact OD1-OH 2.94Å; D266-Y268 VanDerWaalsContact OD1-OH 3.08Å; D266-Y268 VanDerWaalsContact OD2-CE2 3.3Å; D266-Y268 WeakPolarHBondContact OD2-CE2 3.38Å
267	E	37.9	Very low	36.5	Very low	174 Å²	174	134.2 Å²	134.2	81%	0.813	66%	0.664	S	S	*	*			trans	-70.2	71.7	152.9	-170.9	178.4	-176.6	0	0	108	N269	E267-N269 VanDerWaalsContact C-N 3.33Å; E267-N269 PolarHBondContact O-N 3.36Å
268	Y	36.8	Very low	36.2	Very low	145 Å²	145	135.2 Å²	135.2	57%	0.569	67%	0.67	S	S	*	*			trans	-74.1	95.5	164.6	-73.7	-66.3	0	0	0	107.9	D266 Y270	D266-Y268 HydrophobicContact CB-CD2 3.6Å; D266-Y268 HydrophobicContact CB-CE2 3.57Å; D266-Y268 PolarHBondContact O-N 2.92Å; D266-Y268 WeakPolarHBondContact OD1-CE2 3.31Å; D266-Y268 VanDerWaalsContact OD1-CZ 3.26Å; D266-Y268 PolarHBondContact OD1-OH 2.94Å; D266-Y268 VanDerWaalsContact OD1-OH 3.08Å; D266-Y268 VanDerWaalsContact OD2-CE2 3.3Å; D266-Y268 WeakPolarHBondContact OD2-CE2 3.38Å; Y268-Y270 PolarHBondContact O-N 3.08Å
269	N	32.3	Very low	36	Very low	128 Å²	128	135 Å²	135	68%	0.684	67%	0.672	S	S	*	*			trans	-52.5	102.7	165.1	-174.4	24.2	0	0	0	109.3	E267 V271	E267-N269 VanDerWaalsContact C-N 3.33Å; E267-N269 PolarHBondContact O-N 3.36Å; N269-V271 VanDerWaalsContact C-N 3.28Å; N269-V271 WeakPolarHBondContact ND2-CG2 3.05Å; N269-V271 PolarHBondContact O-N 3.48Å
270	Y	37.8	Very low	35.8	Very low	73 Å²	73	134.9 Å²	134.9	29%	0.286	68%	0.676	S	S	.	*			trans	-78.3	81.2	178.1	-133	-83.4	0	0	0	108.7	Y268 Y272 F336	Y268-Y270 PolarHBondContact O-N 3.08Å; Y270-Y272 HydrophobicContact CD1-CD1 4.49Å; Y270-Y272 AromaticContact CD1-CD2 3.54Å; Y270-Y272 HydrophobicContact CD1-CD2 3.54Å; Y270-Y272 HydrophobicContact CD1-CE1 4.28Å; Y270-Y272 AromaticContact CD1-CE2 3.27Å; Y270-Y272 HydrophobicContact CD1-CE2 3.27Å; Y270-Y272 HydrophobicContact CD1-CG 4.19Å; Y270-Y272 AromaticContact CD1-CZ 3.7Å; Y270-Y272 HydrophobicContact CE1-CD1 4.38Å; Y270-Y272 HydrophobicContact CE1-CD2 4.15Å; Y270-Y272 AromaticContact CE1-CE1 3.89Å; Y270-Y272 HydrophobicContact CE1-CE1 3.89Å; Y270-Y272 AromaticContact CE1-CE2 3.62Å; Y270-Y272 HydrophobicContact CE1-CE2 3.62Å; Y270-Y272 AromaticContact CE1-CZ 3.5Å; Y270-Y272 VanDerWaalsContact CE1-CZ 3.5Å; Y270-Y272 HydrophobicContact CG-CE2 4.29Å; Y270-Y272 PolarHBondContact O-N 3.11Å; Y270-F336 VanDerWaalsContact OH-CE1 3.23Å; Y270-F336 WeakPolarHBondContact OH-CE1 3.43Å
271	V	29.8	Very low	35.9	Very low	107 Å²	107	132.9 Å²	132.9	65%	0.648	68%	0.682	S	S	*	*			trans	-75.1	103.2	166	-178.9	0	0	0	0	106.6	N269 G273	N269-V271 VanDerWaalsContact C-N 3.28Å; N269-V271 WeakPolarHBondContact ND2-CG2 3.05Å; N269-V271 PolarHBondContact O-N 3.48Å; V271-G273 PolarHBondContact O-N 2.84Å
272	Y	38.3	Very low	35.8	Very low	78 Å²	78	134 Å²	134	31%	0.306	69%	0.688	S	S	.	*			trans	-74.1	71.9	159.1	-76.2	-90.6	0	0	0	108.5	Y270 H459	Y270-Y272 HydrophobicContact CD1-CD1 4.49Å; Y270-Y272 AromaticContact CD1-CD2 3.54Å; Y270-Y272 HydrophobicContact CD1-CD2 3.54Å; Y270-Y272 HydrophobicContact CD1-CE1 4.28Å; Y270-Y272 AromaticContact CD1-CE2 3.27Å; Y270-Y272 HydrophobicContact CD1-CE2 3.27Å; Y270-Y272 HydrophobicContact CD1-CG 4.19Å; Y270-Y272 AromaticContact CD1-CZ 3.7Å; Y270-Y272 HydrophobicContact CE1-CD1 4.38Å; Y270-Y272 HydrophobicContact CE1-CD2 4.15Å; Y270-Y272 AromaticContact CE1-CE1 3.89Å; Y270-Y272 HydrophobicContact CE1-CE1 3.89Å; Y270-Y272 AromaticContact CE1-CE2 3.62Å; Y270-Y272 HydrophobicContact CE1-CE2 3.62Å; Y270-Y272 AromaticContact CE1-CZ 3.5Å; Y270-Y272 VanDerWaalsContact CE1-CZ 3.5Å; Y270-Y272 HydrophobicContact CG-CE2 4.29Å; Y270-Y272 PolarHBondContact O-N 3.11Å; Y272-H459 WeakPolarHBondContact CB-ND1 3.34Å; Y272-H459 AromaticContact CD1-CE1 2.93Å; Y272-H459 WeakPolarHBondContact CD1-CE1 3.49Å; Y272-H459 AromaticContact CD1-ND1 3.34Å; Y272-H459 VanDerWaalsContact CD1-ND1 3.34Å; Y272-H459 WeakPolarHBondContact CD1-ND1 3.08Å; Y272-H459 AromaticContact CD1-NE2 3.48Å; Y272-H459 WeakPolarHBondContact CD1-NE2 3.15Å; Y272-H459 HydrophobicContact CD2-CB 3.52Å; Y272-H459 AromaticContact CD2-CD2 3.78Å; Y272-H459 AromaticContact CD2-CE1 3.54Å; Y272-H459 AromaticContact CD2-CG 3.13Å; Y272-H459 AromaticContact CD2-ND1 3.01Å; Y272-H459 WeakPolarHBondContact CD2-ND1 3.4Å; Y272-H459 AromaticContact CE1-CD2 3.75Å; Y272-H459 AromaticContact CE1-CE1 3.22Å; Y272-H459 WeakPolarHBondContact CE1-CE1 3.21Å; Y272-H459 AromaticContact CE1-ND1 3.79Å; Y272-H459 AromaticContact CE1-NE2 3.2Å; Y272-H459 WeakPolarHBondContact CE1-NE2 3.21Å; Y272-H459 HydrophobicContact CE2-CB 3.6Å; Y272-H459 AromaticContact CE2-CD2 3.39Å; Y272-H459 WeakPolarHBondContact CE2-CD2 3.42Å; Y272-H459 AromaticContact CE2-CE1 3.8Å; Y272-H459 AromaticContact CE2-CG 3.17Å; Y272-H459 AromaticContact CE2-ND1 3.51Å; Y272-H459 AromaticContact CE2-NE2 3.77Å; Y272-H459 HydrophobicContact CG-CB 4.32Å; Y272-H459 AromaticContact CG-CE1 3.07Å; Y272-H459 AromaticContact CG-CG 3.54Å; Y272-H459 AromaticContact CG-ND1 2.88Å; Y272-H459 AromaticContact CG-NE2 3.84Å; Y272-H459 AromaticContact CZ-CD2 3.34Å; Y272-H459 AromaticContact CZ-CE1 3.63Å; Y272-H459 AromaticContact CZ-CG 3.63Å; Y272-H459 AromaticContact CZ-ND1 3.84Å; Y272-H459 AromaticContact CZ-NE2 3.34Å; Y272-H459 VanDerWaalsContact CZ-NE2 3.34Å
273	G	28.9	Very low	35.6	Very low	46 Å²	46	136.6 Å²	136.6	47%	0.474	70%	0.7	S	S	.	*			trans	-87.1	103.5	163.3	0	0	0	0	0	106.6	V271 E275	V271-G273 PolarHBondContact O-N 2.84Å; G273-E275 PolarHBondContact O-N 2.97Å
274	D	38	Very low	35.6	Very low	129 Å²	129	137 Å²	137	69%	0.69	70%	0.702	S	S	*	*			trans	-64	92.4	146.4	-80.2	-24.3	0	0	0	105.3	E276	D274-E276 PolarHBondContact O-N 2.83Å
275	E	34.6	Very low	34.9	Very low	185 Å²	185	141 Å²	141	86%	0.864	71%	0.713	S	S	*	*			trans	-71.8	65.8	163.8	-75.5	-166.7	166.3	0	0	108.9	G273 T277	G273-E275 PolarHBondContact O-N 2.97Å; E275-T277 PolarHBondContact O-N 2.83Å
276	E	44.3	Very low	34.1	Very low	179 Å²	179	142.4 Å²	142.4	84%	0.836	72%	0.72	S	S	*	*			trans	-89.7	59	156.1	-70.5	-153.1	164.6	0	0	109.5	D274	D274-E276 PolarHBondContact O-N 2.83Å
277	T	33.1	Very low	33.8	Very low	119 Å²	119	146 Å²	146	73%	0.73	73%	0.733	S	S	*	*	S	Bend	trans	-145.3	114.9	159.6	49.3	0	0	0	0	112.5	E275	E275-T277 PolarHBondContact O-N 2.83Å
278	N	32.8	Very low	33.2	Very low	145 Å²	145	147 Å²	147	78%	0.775	74%	0.735	S	S	*	*			trans	66.9	78.2	162.5	-73.9	-41.2	0	0	0	119.7
279	I	34.4	Very low	32.7	Very low	164 Å²	164	149 Å²	149	84%	0.841	75%	0.749	S	S	*	*			trans	-102.2	75.3	142.2	-50.7	175.4	0	0	0	107.8
280	N	34.8	Very low	32.3	Very low	155 Å²	155	152.1 Å²	152.1	83%	0.829	76%	0.76	S	S	*	*			trans	-131.8	61.8	161.4	-93.5	-31.2	0	0	0	107.1
281	A	36.3	Very low	31.6	Very low	90 Å²	90	157.4 Å²	157.4	74%	0.744	79%	0.787	S	S	*	*	S	Bend	trans	-156	27.9	175.2	0	0	0	0	0	113.8
282	E	31.3	Very low	31.3	Very low	182 Å²	182	157.4 Å²	157.4	85%	0.85	79%	0.791	S	S	*	*	S	Bend	trans	-141.4	51.6	169.5	-69.2	-163.5	167.5	0	0	112.1
283	E	33.1	Very low	30.7	Very low	195 Å²	195	158 Å²	158	91%	0.911	81%	0.807	S	S	*	*			trans	-135.2	45	163.7	-78	-163.7	166	0	0	111.5
284	E	33.8	Very low	30.6	Very low	182 Å²	182	162.6 Å²	162.6	85%	0.85	82%	0.821	S	S	*	*			trans	-146.9	91.8	160.8	-75	-164.2	172.5	0	0	110.1
285	K	27.8	Very low	30	Very low	208 Å²	208	164.8 Å²	164.8	90%	0.904	83%	0.827	S	S	*	*			trans	175.8	87.4	145.5	-96.3	159.2	-166.3	178.6	0	110.3
286	E	25.7	Very low	30.2	Very low	194 Å²	194	160.5 Å²	160.5	91%	0.907	82%	0.815	S	S	*	*			trans	-160.2	82.3	147.1	-116.9	-178	-158.5	0	0	110.4
287	E	27.8	Very low	29.5	Very low	188 Å²	188	161.4 Å²	161.4	88%	0.879	82%	0.816	S	S	*	*			trans	-147.9	104.8	147.9	-78.9	-160.8	172.2	0	0	108.6
288	K	26.1	Very low	29.2	Very low	195 Å²	195	165.4 Å²	165.4	85%	0.848	82%	0.824	S	S	*	*			trans	151.6	103.2	144.6	-86	172.6	-172	-179.9	0	111.3
289	E	25.1	Very low	28.9	Very low	188 Å²	188	165.9 Å²	165.9	88%	0.879	83%	0.825	S	S	*	*				162.2	117.1	110.7	-93.1	171.8	-167.7	0	0	110.7
290	E	25.7	Very low	28.7	Very low	192 Å²	192	167.9 Å²	167.9	90%	0.897	83%	0.827	S	S	*	*			trans	-67.1	139	153.5	-69	-173.7	147.5	0	0	108.8
291	E	22.8	Very low	28.4	Very low	185 Å²	185	168.7 Å²	168.7	86%	0.864	83%	0.826	S	S	*	*				160.7	140.4	104.6	-158.1	176.4	-175.3	0	0	111.9
292	S	23.4	Very low	28	Very low	106 Å²	106	172.3 Å²	172.3	74%	0.741	83%	0.833	S	S	*	*			trans	88	110.2	147.4	158.7	0	0	0	0	121.3
293	S	24.8	Very low	27.9	Very low	91 Å²	91	171.6 Å²	171.6	64%	0.636	83%	0.83	S	S	*	*				116.1	100.1	121.1	175.6	0	0	0	0	119.8
294	N	27.1	Very low	27.8	Very low	143 Å²	143	168.8 Å²	168.8	77%	0.765	82%	0.819	S	S	*	*				75	96.7	128.7	-67.4	-38.1	0	0	0	122.7
295	Q	26.1	Very low	27.4	Very low	175 Å²	175	164.6 Å²	164.6	82%	0.818	81%	0.81	S	S	*	*				35.7	163	117.8	-75.3	-160	29.8	0	0	122.3
296	P	39	Very low	27.7	Very low	94 Å²	94	162.2 Å²	162.2	61%	0.61	81%	0.806	S	S	*	*			cis	-139.5	172.5	-27.8	35.7	-17.5	0	0	0	113.8
297	K	27.7	Very low	27.8	Very low	198 Å²	198	164.6 Å²	164.6	86%	0.861	81%	0.807	S	S	*	*				-177.4	115.6	129.2	-97.8	158.2	-166.4	177.3	0	115.4
298	K	26.9	Very low	27.9	Very low	204 Å²	204	164.7 Å²	164.7	89%	0.887	81%	0.805	S	S	*	*			trans	64.2	90.9	140.4	-72.9	-176.2	176	179.4	0	120.6
299	I	27.1	Very low	28.4	Very low	155 Å²	155	162.2 Å²	162.2	80%	0.795	80%	0.801	S	S	*	*			trans	-64.4	135.1	145.7	-66.5	160.3	0	0	0	110.2
300	K	30.3	Very low	28.5	Very low	206 Å²	206	160.8 Å²	160.8	90%	0.896	80%	0.799	S	S	*	*			trans	-107.2	125.5	148.6	-92	-173.5	177.5	-179.6	0	108.1
301	Q	29.5	Very low	29.2	Very low	171 Å²	171	161.5 Å²	161.5	80%	0.799	80%	0.8	S	S	*	*			trans	-60	142.6	174.6	-72.3	159.4	-58.6	0	0	111.4
302	N	26	Very low	29.4	Very low	166 Å²	166	160.3 Å²	160.3	89%	0.888	79%	0.794	S	S	*	*				-158.1	139.5	106.5	-104.2	3.1	0	0	0	111.9
303	Q	29.3	Very low	30	Very low	168 Å²	168	160.8 Å²	160.8	79%	0.785	79%	0.794	S	S	*	*			trans	-115.5	157.9	-174	-143.6	-168.5	15.6	0	0	107.7
304	I	30.9	Very low	30.4	Very low	135 Å²	135	161.2 Å²	161.2	69%	0.692	79%	0.793	S	S	*	*			trans	95.3	92.5	149.6	-59.5	159.8	0	0	0	117.6
305	S	25.5	Very low	31	Very low	94 Å²	94	159.1 Å²	159.1	66%	0.657	80%	0.795	S	S	*	*				97.1	128.8	107.6	90.6	0	0	0	0	122.5
306	L	34.3	Very low	31.4	Very low	159 Å²	159	161.2 Å²	161.2	83%	0.832	80%	0.796	S	S	*	*			trans	64.3	110.4	135.3	-93.5	82.8	0	0	0	119.3
307	R	27.8	Very low	32	Very low	243 Å²	243	159.7 Å²	159.7	92%	0.917	79%	0.787	S	S	*	*				-172.5	105.6	124.9	-96.8	161.7	-168.4	-137.1	4.8	107.7
308	K	29.7	Very low	34	Very low	191 Å²	191	152.8 Å²	152.8	83%	0.83	76%	0.76	S	S	*	*				53.1	109.6	98.2	-113.9	-176.7	-175.3	179.5	0	113.9
309	N	37.3	Very low	36	Very low	143 Å²	143	145.6 Å²	145.6	77%	0.765	73%	0.731	S	S	*	*			trans	45.1	109.5	153.5	-62.7	6.3	0	0	0	117.4
310	D	27	Very low	38.4	Very low	158 Å²	158	138.6 Å²	138.6	85%	0.845	70%	0.695	S	S	*	*				-139.5	116.7	126.9	-83.7	-42.4	0	0	0	109.2	H312	D310-H312 PolarHBondContact O-N 2.8Å
311	F	40.3	Very low	40.9	Very low	207 Å²	207	132.5 Å²	132.5	91%	0.908	67%	0.673	S	S	*	*			trans	-70.4	105.6	164.8	-123.2	-100.2	0	0	0	106.4
312	H	27.9	Very low	43.7	Very low	160 Å²	160	126.7 Å²	126.7	74%	0.741	65%	0.649	S	S	*	*			trans	-118.3	123.2	151.9	-87.8	-44.9	0	0	0	107	D310 V314	D310-H312 PolarHBondContact O-N 2.8Å; H312-V314 VanDerWaalsContact C-N 3.3Å; H312-V314 PolarHBondContact O-N 2.82Å
313	P	35	Very low	46.7	Very low	115 Å²	115	119 Å²	119	75%	0.747	61%	0.607	S	S	*	*			trans	-70.6	97.2	172.3	29.8	-27.8	0	0	0	105.9	A315	P313-A315 PolarHBondContact O-N 2.81Å; P313-A315 VanDerWaalsContact O-N 3.16Å
314	V	34.5	Very low	49.6	Very low	100 Å²	100	113.9 Å²	113.9	61%	0.606	58%	0.583	S	S	*	*			trans	-68.5	111	162	-176.1	0	0	0	0	104.1	H312 W316	H312-V314 VanDerWaalsContact C-N 3.3Å; H312-V314 PolarHBondContact O-N 2.82Å; V314-W316 VanDerWaalsContact CB-CD1 3.5Å; V314-W316 HydrophobicContact CG1-CG 4.13Å; V314-W316 VanDerWaalsContact CG1-NE1 3.26Å; V314-W316 PolarHBondContact O-N 3.04Å
315	A	39	Very low	52.3	Low	99 Å²	99	114.6 Å²	114.6	82%	0.818	58%	0.583	S	S	*	*			trans	-64.8	89.4	160	0	0	0	0	0	105.8	P313 S317	P313-A315 PolarHBondContact O-N 2.81Å; P313-A315 VanDerWaalsContact O-N 3.16Å; A315-S317 PolarHBondContact O-N 3.36Å
316	W	34.4	Very low	55.2	Low	220 Å²	220	111.8 Å²	111.8	83%	0.833	56%	0.562	S	S	*	*			trans	-71.7	106.5	159.6	-66.7	65	0	0	0	103.1	V314 D318	V314-W316 VanDerWaalsContact CB-CD1 3.5Å; V314-W316 HydrophobicContact CG1-CG 4.13Å; V314-W316 VanDerWaalsContact CG1-NE1 3.26Å; V314-W316 PolarHBondContact O-N 3.04Å; W316-D318 PolarHBondContact O-N 3.45Å
317	S	51.4	Low	57.6	Low	62 Å²	62	109.1 Å²	109.1	43%	0.434	55%	0.554	S	S	.	*			trans	-53.4	113.9	168.4	-147.4	0	0	0	0	106	A315	A315-S317 PolarHBondContact O-N 3.36Å
318	D	69.1	Low	60.3	Low	52 Å²	52	99.7 Å²	99.7	28%	0.278	53%	0.528	S	S	.	.			trans	-62.8	134.8	177.2	-158.8	-40.1	0	0	0	107.3	W316 V320 D321 V322 R346	W316-D318 PolarHBondContact O-N 3.45Å; D318-V320 PolarHBondContact O-N 2.95Å; D318-D321 HydrophobicContact CB-CB 4.14Å; D318-D321 WeakPolarHBondContact CB-OD2 3.27Å; D318-D321 CarbonylContact O-C 3.51Å; D318-D321 WeakPolarHBondContact O-CA 3.37Å; D318-D321 WeakPolarHBondContact O-CB 3.29Å; D318-D321 PolarHBondContact O-N 3.38Å; D318-V322 WeakPolarHBondContact O-CG2 3.45Å; D318-V322 PolarHBondContact O-N 3.14Å; D318-R346 IonicContact OD1-CZ 3.88Å; D318-R346 IonicContact OD1-NH2 3.77Å; D318-R346 PolarHBondContact OD1-NH2 3.43Å; D318-R346 IonicContact OD2-CZ 2.7Å; D318-R346 IonicContact OD2-NE 3.43Å; D318-R346 PolarHBondContact OD2-NE 3.48Å; D318-R346 VanDerWaalsContact OD2-NE 3.14Å; D318-R346 IonicContact OD2-NH2 3.42Å; D318-R346 PolarHBondContact OD2-NH2 2.03Å
319	D	69.1	Low	62.9	Low	54 Å²	54	93.7 Å²	93.7	29%	0.289	51%	0.505	S	S	.	.	H	α-helix	trans	-66	-15.1	-175.5	-53.2	-34.6	0	0	0	111.7	Y323 K338 Q342	D319-Y323 WeakPolarHBondContact O-CB 3.3Å; D319-Y323 PolarHBondContact O-N 2.95Å; D319-K338 WeakPolarHBondContact OD2-CE 3.43Å; D319-K338 IonicContact OD2-NZ 3.28Å; D319-K338 PolarHBondContact OD2-NZ 2.85Å; D319-Q342 PolarHBondContact OD2-NE2 3.48Å; D319-Q342 PolarHBondContact OD2-OE1 3.45Å
320	V	78.8	Confident	65	Low	7 Å²	7	92.7 Å²	92.7	4%	0.042	50%	0.5	C	S	.	.	H	α-helix	trans	-68.5	-40.6	166.2	177.4	0	0	0	0	111.6	D318 Y323 F324 A339 Q342 L343	D318-V320 PolarHBondContact O-N 2.95Å; V320-Y323 WeakPolarHBondContact O-CB 3.48Å; V320-Y323 PolarHBondContact O-N 3.26Å; V320-F324 HydrophobicContact CG1-CD2 4.25Å; V320-F324 HydrophobicContact CG1-CE2 3.66Å; V320-F324 WeakPolarHBondContact O-CD2 3.39Å; V320-F324 PolarHBondContact O-N 2.73Å; V320-A339 HydrophobicContact CG2-CB 4.49Å; V320-A339 WeakPolarHBondContact CG2-O 3.43Å; V320-Q342 HydrophobicContact CG2-CB 4.32Å; V320-L343 HydrophobicContact CG2-CB 4.24Å
321	D	83.1	Confident	68	Low	79 Å²	79	92.6 Å²	92.6	42%	0.422	49%	0.492	S	S	.	.	H	α-helix	trans	-68.3	-40.1	173.6	-63.4	-23.7	0	0	0	110.4	D318 Y323 F324 E325	D318-D321 HydrophobicContact CB-CB 4.14Å; D318-D321 WeakPolarHBondContact CB-OD2 3.27Å; D318-D321 CarbonylContact O-C 3.51Å; D318-D321 WeakPolarHBondContact O-CA 3.37Å; D318-D321 WeakPolarHBondContact O-CB 3.29Å; D318-D321 PolarHBondContact O-N 3.38Å; D321-Y323 PolarHBondContact O-N 3.32Å; D321-F324 PolarHBondContact O-N 3.24Å; D321-F324 VanDerWaalsContact O-N 3.11Å; D321-E325 WeakPolarHBondContact O-CG 3.25Å; D321-E325 PolarHBondContact O-N 3.19Å
322	V	86.8	Confident	70.3	Confident	49 Å²	49	82.7 Å²	82.7	30%	0.297	45%	0.449	S	S	.	.	H	α-helix	trans	-57.4	-41.1	172.7	178.1	0	0	0	0	110.3	D318 F324 E325 T326	D318-V322 WeakPolarHBondContact O-CG2 3.45Å; D318-V322 PolarHBondContact O-N 3.14Å; V322-F324 VanDerWaalsContact C-N 3.34Å; V322-F324 PolarHBondContact O-N 3.48Å; V322-E325 PolarHBondContact O-N 3.08Å; V322-T326 HydrophobicContact CG1-CG2 3.95Å; V322-T326 WeakPolarHBondContact O-CB 3.33Å; V322-T326 VanDerWaalsContact O-CG2 3.27Å; V322-T326 WeakPolarHBondContact O-CG2 3.38Å; V322-T326 PolarHBondContact O-N 3.08Å; V322-T326 PolarHBondContact O-OG1 3.01Å
323	Y	90.4	Very high	73.2	Confident	4 Å²	4	79 Å²	79	2%	0.016	43%	0.432	C	S	.	.	H	α-helix	trans	-59	-43.9	176.6	172.5	-96.8	0	0	0	112.3	D319 V320 D321 T326 E332 R335 F336 A339 L398 T401 H402 R405	D319-Y323 WeakPolarHBondContact O-CB 3.3Å; D319-Y323 PolarHBondContact O-N 2.95Å; V320-Y323 WeakPolarHBondContact O-CB 3.48Å; V320-Y323 PolarHBondContact O-N 3.26Å; D321-Y323 PolarHBondContact O-N 3.32Å; Y323-T326 PolarHBondContact O-OG1 3.45Å; Y323-E332 WeakPolarHBondContact CE2-OE1 3.4Å; Y323-E332 PolarHBondContact OH-OE1 3.27Å; Y323-R335 HydrophobicContact CD2-CB 3.98Å; Y323-R335 HydrophobicContact CE2-CB 4.36Å; Y323-F336 HydrophobicContact CE2-CB 3.98Å; Y323-A339 HydrophobicContact CD1-CB 4.45Å; Y323-A339 HydrophobicContact CD2-CB 4.19Å; Y323-A339 HydrophobicContact CG-CB 3.87Å; Y323-L398 HydrophobicContact CD1-CD1 3.31Å; Y323-L398 HydrophobicContact CE1-CD1 3.43Å; Y323-L398 VanDerWaalsContact CE1-CD1 3.43Å; Y323-L398 HydrophobicContact CE1-CG 4.46Å; Y323-L398 HydrophobicContact CG-CD1 4.1Å; Y323-T401 HydrophobicContact CE1-CG2 4.19Å; Y323-H402 WeakPolarHBondContact OH-CA 3.32Å; Y323-H402 VanDerWaalsContact OH-CB 3.28Å; Y323-H402 WeakPolarHBondContact OH-CB 3.28Å; Y323-H402 PolarHBondContact OH-N 3.38Å; Y323-R405 PolarHBondContact O-NH1 2.94Å; Y323-R405 PolarHBondContact O-NH2 3.49Å
324	F	90.2	Very high	75.8	Confident	60 Å²	60	75.7 Å²	75.7	26%	0.263	42%	0.418	S	S	.	.	H	α-helix	trans	-69.3	-33.2	178.1	-67.6	-63.4	0	0	0	113.1	V320 D321 V322 Q397 L398 T401 R405	V320-F324 HydrophobicContact CG1-CD2 4.25Å; V320-F324 HydrophobicContact CG1-CE2 3.66Å; V320-F324 WeakPolarHBondContact O-CD2 3.39Å; V320-F324 PolarHBondContact O-N 2.73Å; D321-F324 PolarHBondContact O-N 3.24Å; D321-F324 VanDerWaalsContact O-N 3.11Å; V322-F324 VanDerWaalsContact C-N 3.34Å; V322-F324 PolarHBondContact O-N 3.48Å; F324-Q397 HydrophobicContact CE1-CG 4.15Å; F324-Q397 HydrophobicContact CZ-CG 4Å; F324-L398 HydrophobicContact CZ-CB 4.47Å; F324-L398 HydrophobicContact CZ-CD1 4.07Å; F324-T401 HydrophobicContact CD1-CG2 4.04Å; F324-T401 HydrophobicContact CE1-CG2 4.1Å; F324-T401 WeakPolarHBondContact CE1-OG1 3.37Å; F324-R405 PolarHBondContact O-NH2 3.46Å; F324-R405 VanDerWaalsContact O-NH2 3.11Å
325	E	87.4	Confident	78.5	Confident	151 Å²	151	73.4 Å²	73.4	71%	0.706	40%	0.399	S	S	*	.	H	α-helix	trans	-78.9	-29.6	178.2	-68.6	-179.3	177.1	0	0	113.4	D321 V322	D321-E325 WeakPolarHBondContact O-CG 3.25Å; D321-E325 PolarHBondContact O-N 3.19Å; V322-E325 PolarHBondContact O-N 3.08Å
326	T	86.1	Confident	81	Confident	35 Å²	35	68.9 Å²	68.9	22%	0.215	36%	0.36	C	S	.	.	S	Bend	trans	-71.3	133.4	178.2	50.3	0	0	0	0	111.6	V322 Y323 R335 R405	V322-T326 HydrophobicContact CG1-CG2 3.95Å; V322-T326 WeakPolarHBondContact O-CB 3.33Å; V322-T326 VanDerWaalsContact O-CG2 3.27Å; V322-T326 WeakPolarHBondContact O-CG2 3.38Å; V322-T326 PolarHBondContact O-N 3.08Å; V322-T326 PolarHBondContact O-OG1 3.01Å; Y323-T326 PolarHBondContact O-OG1 3.45Å; T326-R335 PolarHBondContact OG1-NE 3.37Å; T326-R405 PolarHBondContact O-NH2 3.48Å
327	P	84.6	Confident	83.7	Confident	102 Å²	102	61.8 Å²	61.8	66%	0.662	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-66.7	157.5	173.3	29.2	-34.1	0	0	0	111.1	R335	P327-R335 PolarHBondContact O-NH2 3.36Å
328	A	84.6	Confident	85.6	Confident	45 Å²	45	63.9 Å²	63.9	37%	0.372	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-65.1	135.4	173.2	0	0	0	0	0	110.5	R405 M409	A328-R405 HydrophobicContact CB-CB 4.01Å; A328-R405 HydrophobicContact CB-CG 4.01Å; A328-M409 HydrophobicContact CB-CG 4.19Å; A328-M409 HydrophobicContact CB-SD 4.09Å
329	D	84.3	Confident	86.7	Confident	65 Å²	65	61.5 Å²	61.5	35%	0.348	33%	0.325	S	S	.	.			trans	-152.5	-179.1	176.7	73.4	11.9	0	0	0	109.8	K331 E332 R335 M409	D329-K331 PolarHBondContact O-N 3Å; D329-K331 WeakPolarHBondContact OD1-CA 3.24Å; D329-K331 WeakPolarHBondContact OD1-CB 3.39Å; D329-K331 PolarHBondContact OD1-N 3.22Å; D329-E332 WeakPolarHBondContact O-CB 3.43Å; D329-E332 PolarHBondContact O-N 3.46Å; D329-E332 PolarHBondContact OD1-N 2.89Å; D329-R335 VanDerWaalsContact CG-NH2 3.31Å; D329-R335 IonicContact OD1-CZ 2.69Å; D329-R335 IonicContact OD1-NH1 3.11Å; D329-R335 PolarHBondContact OD1-NH1 3.05Å; D329-R335 IonicContact OD1-NH2 3.09Å; D329-R335 PolarHBondContact OD1-NH2 2.85Å; D329-R335 IonicContact OD2-CZ 3.81Å; D329-R335 IonicContact OD2-NH1 3.54Å; D329-R335 PolarHBondContact OD2-NH1 3.05Å; D329-R335 IonicContact OD2-NH2 3.57Å; D329-M409 VanDerWaalsContact C-CE 3.42Å; D329-M409 WeakPolarHBondContact O-CE 3.02Å; D329-M409 VanDerWaalsContact O-SD 3.36Å
330	D	82.2	Confident	87.8	Confident	122 Å²	122	61.3 Å²	61.3	65%	0.652	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.5	-177.4	-55.1	-50.8	0	0	0	114.7	E332 R413	D330-E332 VanDerWaalsContact C-N 3.32Å; D330-R413 IonicContact OD1-CZ 3.48Å; D330-R413 IonicContact OD1-NE 3.41Å; D330-R413 IonicContact OD1-NH2 2.7Å; D330-R413 PolarHBondContact OD1-NH2 3.33Å
331	K	88.3	Confident	88.4	Confident	156 Å²	156	66.9 Å²	66.9	68%	0.678	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	12.9	177.8	-60	-177.6	-178.9	-179.3	0	113.3	D329 H333 G334 R335	D329-K331 PolarHBondContact O-N 3Å; D329-K331 WeakPolarHBondContact OD1-CA 3.24Å; D329-K331 WeakPolarHBondContact OD1-CB 3.39Å; D329-K331 PolarHBondContact OD1-N 3.22Å; K331-H333 VanDerWaalsContact C-N 3.28Å; K331-H333 PolarHBondContact O-N 3.48Å; K331-G334 PolarHBondContact O-N 2.93Å; K331-R335 PolarHBondContact O-N 2.72Å; K331-R335 VanDerWaalsContact O-N 3.09Å
332	E	89.8	Confident	88.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-53.7	-41.2	-179	179	57.9	-160.3	0	0	113.3	Y323 D329 D330 R335 F336 H402 R405 V406 M409	Y323-E332 WeakPolarHBondContact CE2-OE1 3.4Å; Y323-E332 PolarHBondContact OH-OE1 3.27Å; D329-E332 WeakPolarHBondContact O-CB 3.43Å; D329-E332 PolarHBondContact O-N 3.46Å; D329-E332 PolarHBondContact OD1-N 2.89Å; D330-E332 VanDerWaalsContact C-N 3.32Å; E332-R335 PolarHBondContact O-N 2.93Å; E332-R335 IonicContact OE2-CZ 3.1Å; E332-R335 IonicContact OE2-NE 3.49Å; E332-R335 IonicContact OE2-NH2 2.62Å; E332-R335 PolarHBondContact OE2-NH2 3.37Å; E332-F336 WeakPolarHBondContact O-CB 3.29Å; E332-F336 PolarHBondContact O-N 3.49Å; E332-H402 IonicContact OE1-ND1 2.72Å; E332-R405 HydrophobicContact CG-CB 4.36Å; E332-R405 VanDerWaalsContact OE1-CD 3.25Å; E332-R405 WeakPolarHBondContact OE1-CD 3.4Å; E332-R405 IonicContact OE1-NH1 3.59Å; E332-R405 IonicContact OE2-NH1 3.82Å; E332-V406 HydrophobicContact CG-CG2 4.48Å; E332-M409 HydrophobicContact CB-SD 3.89Å; E332-M409 HydrophobicContact CG-SD 4.29Å
333	H	88.3	Confident	89	Confident	83 Å²	83	64 Å²	64	38%	0.384	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-45.9	179.1	-72.6	81.9	0	0	0	112.3	K331 R335 F336 Q337	K331-H333 VanDerWaalsContact C-N 3.28Å; K331-H333 PolarHBondContact O-N 3.48Å; H333-R335 VanDerWaalsContact C-N 3.32Å; H333-R335 PolarHBondContact O-N 2.87Å; H333-F336 PolarHBondContact O-N 3.34Å; H333-Q337 WeakPolarHBondContact O-CG 3.34Å; H333-Q337 PolarHBondContact O-N 3.13Å
334	G	89.9	Confident	88.9	Confident	45 Å²	45	68.4 Å²	68.4	46%	0.464	35%	0.349	S	S	.	.	H	α-helix	trans	-63.5	-38.6	178.1	0	0	0	0	0	112.3	K331 K338	K331-G334 PolarHBondContact O-N 2.93Å; G334-K338 PolarHBondContact O-N 3.42Å; G334-K338 VanDerWaalsContact O-N 3.13Å
335	R	90.5	Very high	89	Confident	52 Å²	52	68.1 Å²	68.1	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-68.5	-42	175	-73.5	-163.4	-62.8	-77	-12.5	112.6	Y323 T326 P327 D329 K331 E332 H333 K338 A339	Y323-R335 HydrophobicContact CD2-CB 3.98Å; Y323-R335 HydrophobicContact CE2-CB 4.36Å; T326-R335 PolarHBondContact OG1-NE 3.37Å; P327-R335 PolarHBondContact O-NH2 3.36Å; D329-R335 VanDerWaalsContact CG-NH2 3.31Å; D329-R335 IonicContact OD1-CZ 2.69Å; D329-R335 IonicContact OD1-NH1 3.11Å; D329-R335 PolarHBondContact OD1-NH1 3.05Å; D329-R335 IonicContact OD1-NH2 3.09Å; D329-R335 PolarHBondContact OD1-NH2 2.85Å; D329-R335 IonicContact OD2-CZ 3.81Å; D329-R335 IonicContact OD2-NH1 3.54Å; D329-R335 PolarHBondContact OD2-NH1 3.05Å; D329-R335 IonicContact OD2-NH2 3.57Å; K331-R335 PolarHBondContact O-N 2.72Å; K331-R335 VanDerWaalsContact O-N 3.09Å; E332-R335 PolarHBondContact O-N 2.93Å; E332-R335 IonicContact OE2-CZ 3.1Å; E332-R335 IonicContact OE2-NE 3.49Å; E332-R335 IonicContact OE2-NH2 2.62Å; E332-R335 PolarHBondContact OE2-NH2 3.37Å; H333-R335 VanDerWaalsContact C-N 3.32Å; H333-R335 PolarHBondContact O-N 2.87Å; R335-K338 PolarHBondContact O-N 3.37Å; R335-A339 WeakPolarHBondContact O-CB 3.44Å; R335-A339 PolarHBondContact O-N 2.66Å
336	F	92.3	Very high	89.2	Confident	3 Å²	3	62.6 Å²	62.6	1%	0.013	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-45.2	176.8	170.1	-113.6	0	0	0	111.5	Y270 Y323 E332 H333 K338 A339 K340 L398 V399 H402	Y270-F336 VanDerWaalsContact OH-CE1 3.23Å; Y270-F336 WeakPolarHBondContact OH-CE1 3.43Å; Y323-F336 HydrophobicContact CE2-CB 3.98Å; E332-F336 WeakPolarHBondContact O-CB 3.29Å; E332-F336 PolarHBondContact O-N 3.49Å; H333-F336 PolarHBondContact O-N 3.34Å; F336-K338 PolarHBondContact O-N 3.11Å; F336-A339 PolarHBondContact O-N 3.18Å; F336-K340 VanDerWaalsContact O-CB 3.31Å; F336-K340 WeakPolarHBondContact O-CB 3.38Å; F336-K340 PolarHBondContact O-N 2.83Å; F336-L398 HydrophobicContact CD2-CD2 4.3Å; F336-L398 HydrophobicContact CD2-CG 4.01Å; F336-L398 HydrophobicContact CE2-CD2 4.06Å; F336-L398 HydrophobicContact CE2-CG 3.84Å; F336-V399 HydrophobicContact CE2-CG2 4.38Å; F336-V399 HydrophobicContact CZ-CG2 4.18Å; F336-H402 WeakPolarHBondContact CB-ND1 3.05Å; F336-H402 AromaticContact CD1-CD2 3.56Å; F336-H402 AromaticContact CD1-CE1 3.8Å; F336-H402 AromaticContact CD1-CG 3.79Å; F336-H402 AromaticContact CD1-ND1 3.95Å; F336-H402 AromaticContact CD1-NE2 3.56Å; F336-H402 HydrophobicContact CD2-CB 3.5Å; F336-H402 VanDerWaalsContact CD2-CB 3.5Å; F336-H402 AromaticContact CD2-CG 3.55Å; F336-H402 AromaticContact CD2-ND1 3.98Å; F336-H402 AromaticContact CE1-CD2 3.58Å; F336-H402 AromaticContact CE1-NE2 3.9Å; F336-H402 HydrophobicContact CE2-CB 3.67Å; F336-H402 AromaticContact CE2-CG 3.89Å; F336-H402 HydrophobicContact CG-CB 4Å; F336-H402 AromaticContact CG-CD2 3.78Å; F336-H402 AromaticContact CG-CE1 3.83Å; F336-H402 AromaticContact CG-CG 3.49Å; F336-H402 VanDerWaalsContact CG-CG 3.49Å; F336-H402 AromaticContact CG-ND1 3.54Å; F336-H402 AromaticContact CG-NE2 3.98Å; F336-H402 HydrophobicContact CZ-CB 4.29Å; F336-H402 AromaticContact CZ-CD2 3.86Å
337	Q	90.6	Very high	89.4	Confident	72 Å²	72	63.6 Å²	63.6	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-46.4	176.2	-73	179.3	11.4	0	0	111.8	H333 A339 K340 E341	H333-Q337 WeakPolarHBondContact O-CG 3.34Å; H333-Q337 PolarHBondContact O-N 3.13Å; Q337-A339 PolarHBondContact O-N 2.97Å; Q337-K340 PolarHBondContact O-N 2.86Å; Q337-E341 PolarHBondContact O-N 2.85Å
338	K	91.4	Very high	89.9	Confident	105 Å²	105	66.3 Å²	66.3	46%	0.457	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-43.7	177.4	-170.5	-176.1	174.9	-153.8	0	111.9	D319 G334 R335 F336 Q342	D319-K338 WeakPolarHBondContact OD2-CE 3.43Å; D319-K338 IonicContact OD2-NZ 3.28Å; D319-K338 PolarHBondContact OD2-NZ 2.85Å; G334-K338 PolarHBondContact O-N 3.42Å; G334-K338 VanDerWaalsContact O-N 3.13Å; R335-K338 PolarHBondContact O-N 3.37Å; F336-K338 PolarHBondContact O-N 3.11Å; K338-Q342 WeakPolarHBondContact O-CB 3.44Å; K338-Q342 WeakPolarHBondContact O-CG 3.47Å; K338-Q342 PolarHBondContact O-N 3.31Å; K338-Q342 VanDerWaalsContact O-N 3.07Å
339	A	92.2	Very high	90.3	Very high	2 Å²	2	68.2 Å²	68.2	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-39.8	177.1	0	0	0	0	0	111.7	V320 Y323 R335 F336 Q337 Q342 L343 L398	V320-A339 HydrophobicContact CG2-CB 4.49Å; V320-A339 WeakPolarHBondContact CG2-O 3.43Å; Y323-A339 HydrophobicContact CD1-CB 4.45Å; Y323-A339 HydrophobicContact CD2-CB 4.19Å; Y323-A339 HydrophobicContact CG-CB 3.87Å; R335-A339 WeakPolarHBondContact O-CB 3.44Å; R335-A339 PolarHBondContact O-N 2.66Å; F336-A339 PolarHBondContact O-N 3.18Å; Q337-A339 PolarHBondContact O-N 2.97Å; A339-Q342 PolarHBondContact O-N 3.47Å; A339-L343 WeakPolarHBondContact O-CB 3.05Å; A339-L343 PolarHBondContact O-N 2.93Å; A339-L398 HydrophobicContact CB-CD1 3.88Å; A339-L398 HydrophobicContact CB-CD2 4.28Å
340	K	91.9	Very high	90.8	Very high	50 Å²	50	68 Å²	68	22%	0.217	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-50.3	176.4	-176.8	-172.6	170.5	-166.3	0	111.4	F336 Q337 Q342 L343 E344 L398	F336-K340 VanDerWaalsContact O-CB 3.31Å; F336-K340 WeakPolarHBondContact O-CB 3.38Å; F336-K340 PolarHBondContact O-N 2.83Å; Q337-K340 PolarHBondContact O-N 2.86Å; K340-Q342 VanDerWaalsContact C-N 3.29Å; K340-Q342 PolarHBondContact O-N 2.91Å; K340-L343 WeakPolarHBondContact O-CB 3.38Å; K340-L343 PolarHBondContact O-N 3.46Å; K340-E344 WeakPolarHBondContact CE-OE1 3.39Å; K340-E344 WeakPolarHBondContact O-CG 3.12Å; K340-E344 PolarHBondContact O-N 3.06Å; K340-L398 HydrophobicContact CB-CD2 3.99Å
341	E	91.5	Very high	91.4	Very high	125 Å²	125	64.5 Å²	64.5	58%	0.584	30%	0.302	S	S	*	.	H	α-helix	trans	-58.9	-43.2	178.3	-175.3	-175.5	-178.6	0	0	111	Q337 L343 E344 V345	Q337-E341 PolarHBondContact O-N 2.85Å; E341-L343 PolarHBondContact O-N 3.43Å; E341-E344 PolarHBondContact O-N 2.93Å; E341-V345 WeakPolarHBondContact O-CG2 3.48Å; E341-V345 PolarHBondContact O-N 2.92Å
342	Q	90.9	Very high	91.7	Very high	55 Å²	55	61.1 Å²	61.1	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-36.6	178.1	-73.7	-167.2	10.5	0	0	113.5	D319 V320 K338 A339 K340 E344 V345 R346	D319-Q342 PolarHBondContact OD2-NE2 3.48Å; D319-Q342 PolarHBondContact OD2-OE1 3.45Å; V320-Q342 HydrophobicContact CG2-CB 4.32Å; K338-Q342 WeakPolarHBondContact O-CB 3.44Å; K338-Q342 WeakPolarHBondContact O-CG 3.47Å; K338-Q342 PolarHBondContact O-N 3.31Å; K338-Q342 VanDerWaalsContact O-N 3.07Å; A339-Q342 PolarHBondContact O-N 3.47Å; K340-Q342 VanDerWaalsContact C-N 3.29Å; K340-Q342 PolarHBondContact O-N 2.91Å; Q342-E344 VanDerWaalsContact C-N 3.34Å; Q342-V345 PolarHBondContact O-N 3.22Å; Q342-R346 WeakPolarHBondContact O-CB 3.29Å; Q342-R346 PolarHBondContact O-N 2.98Å
343	L	91.5	Very high	92	Very high	11 Å²	11	68.3 Å²	68.3	6%	0.058	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-42.5	174.8	-171.8	67.3	0	0	0	111.2	V320 A339 K340 E341 R346 H347 E394 K395 L398	V320-L343 HydrophobicContact CG2-CB 4.24Å; A339-L343 WeakPolarHBondContact O-CB 3.05Å; A339-L343 PolarHBondContact O-N 2.93Å; K340-L343 WeakPolarHBondContact O-CB 3.38Å; K340-L343 PolarHBondContact O-N 3.46Å; E341-L343 PolarHBondContact O-N 3.43Å; L343-R346 WeakPolarHBondContact O-CB 3.31Å; L343-R346 PolarHBondContact O-N 2.9Å; L343-H347 PolarHBondContact O-N 3.11Å; L343-E394 HydrophobicContact CD1-CB 3.73Å; L343-E394 HydrophobicContact CD1-CG 4.37Å; L343-E394 WeakPolarHBondContact CD1-OE2 3.42Å; L343-E394 HydrophobicContact CD2-CB 3.98Å; L343-E394 HydrophobicContact CG-CB 4.39Å; L343-K395 HydrophobicContact CD2-CB 4.17Å; L343-L398 HydrophobicContact CD2-CD2 4.26Å
344	E	89.5	Confident	92.4	Very high	97 Å²	97	64.7 Å²	64.7	45%	0.453	30%	0.3	S	S	.	.	H	α-helix	trans	-63.4	-44.5	175.2	-71.9	174.2	-177.7	0	0	111.8	K340 E341 Q342 R346 H347 R348	K340-E344 WeakPolarHBondContact CE-OE1 3.39Å; K340-E344 WeakPolarHBondContact O-CG 3.12Å; K340-E344 PolarHBondContact O-N 3.06Å; E341-E344 PolarHBondContact O-N 2.93Å; Q342-E344 VanDerWaalsContact C-N 3.34Å; E344-R346 VanDerWaalsContact C-N 3.31Å; E344-R346 PolarHBondContact O-N 3.42Å; E344-H347 PolarHBondContact O-N 3.34Å; E344-R348 WeakPolarHBondContact O-CB 3.37Å; E344-R348 PolarHBondContact O-N 3.5Å
345	V	91.9	Very high	92.6	Very high	54 Å²	54	70 Å²	70	33%	0.327	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-41	174.5	170.5	0	0	0	0	111.1	E341 Q342 R348 N349	E341-V345 WeakPolarHBondContact O-CG2 3.48Å; E341-V345 PolarHBondContact O-N 2.92Å; Q342-V345 PolarHBondContact O-N 3.22Å; V345-R348 PolarHBondContact O-N 3.27Å; V345-N349 WeakPolarHBondContact O-CB 3.41Å; V345-N349 PolarHBondContact O-N 2.95Å; V345-N349 PolarHBondContact O-ND2 2.91Å
346	R	90.3	Very high	92.8	Very high	36 Å²	36	72.6 Å²	72.6	14%	0.136	32%	0.319	C	S	.	.	H	α-helix	trans	-62.8	-47.8	177.5	-168.3	-167.3	-56.7	147	6.6	111.2	D318 Q342 L343 E344 N349 R350 E394	D318-R346 IonicContact OD1-CZ 3.88Å; D318-R346 IonicContact OD1-NH2 3.77Å; D318-R346 PolarHBondContact OD1-NH2 3.43Å; D318-R346 IonicContact OD2-CZ 2.7Å; D318-R346 IonicContact OD2-NE 3.43Å; D318-R346 PolarHBondContact OD2-NE 3.48Å; D318-R346 VanDerWaalsContact OD2-NE 3.14Å; D318-R346 IonicContact OD2-NH2 3.42Å; D318-R346 PolarHBondContact OD2-NH2 2.03Å; Q342-R346 WeakPolarHBondContact O-CB 3.29Å; Q342-R346 PolarHBondContact O-N 2.98Å; L343-R346 WeakPolarHBondContact O-CB 3.31Å; L343-R346 PolarHBondContact O-N 2.9Å; E344-R346 VanDerWaalsContact C-N 3.31Å; E344-R346 PolarHBondContact O-N 3.42Å; R346-N349 PolarHBondContact O-N 2.87Å; R346-R350 VanDerWaalsContact CD-NH2 3.27Å; R346-R350 WeakPolarHBondContact O-CG 3.35Å; R346-R350 PolarHBondContact O-N 2.86Å; R346-E394 IonicContact NH1-OE1 3.07Å; R346-E394 PolarHBondContact NH1-OE1 2.9Å; R346-E394 IonicContact NH1-OE2 3.43Å
347	H	92	Very high	93	Very high	56 Å²	56	76.6 Å²	76.6	26%	0.259	34%	0.337	S	S	.	.	H	α-helix	trans	-59.1	-48.3	176.5	176.9	61.8	0	0	0	111	L343 E344 N349 R350 M351 A391	L343-H347 PolarHBondContact O-N 3.11Å; E344-H347 PolarHBondContact O-N 3.34Å; H347-N349 VanDerWaalsContact C-N 3.35Å; H347-N349 PolarHBondContact O-N 2.89Å; H347-R350 PolarHBondContact O-N 2.89Å; H347-M351 VanDerWaalsContact CE1-CG 3.46Å; H347-M351 WeakPolarHBondContact CE1-CG 3.44Å; H347-M351 WeakPolarHBondContact O-CB 3.18Å; H347-M351 VanDerWaalsContact O-CG 3.32Å; H347-M351 WeakPolarHBondContact O-CG 3.31Å; H347-M351 PolarHBondContact O-N 3.49Å; H347-A391 HydrophobicContact CB-CB 4.19Å; H347-A391 WeakPolarHBondContact ND1-CB 3.37Å
348	R	93.4	Very high	93.2	Very high	159 Å²	159	77.6 Å²	77.6	60%	0.6	34%	0.338	S	S	*	.	H	α-helix	trans	-57.4	-45.2	177.5	-169.8	-179.1	71.7	-170.3	-0.9	112.3	E344 V345 M351 E352	E344-R348 WeakPolarHBondContact O-CB 3.37Å; E344-R348 PolarHBondContact O-N 3.5Å; V345-R348 PolarHBondContact O-N 3.27Å; R348-M351 PolarHBondContact O-N 2.96Å; R348-E352 WeakPolarHBondContact O-CB 3.49Å; R348-E352 PolarHBondContact O-N 2.62Å
349	N	94.4	Very high	93.3	Very high	84 Å²	84	76.6 Å²	76.6	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-39.5	179.3	-70	-22	0	0	0	112.3	V345 R346 H347 R353	V345-N349 WeakPolarHBondContact O-CB 3.41Å; V345-N349 PolarHBondContact O-N 2.95Å; V345-N349 PolarHBondContact O-ND2 2.91Å; R346-N349 PolarHBondContact O-N 2.87Å; H347-N349 VanDerWaalsContact C-N 3.35Å; H347-N349 PolarHBondContact O-N 2.89Å; N349-R353 PolarHBondContact O-N 3.45Å; N349-R353 VanDerWaalsContact O-N 3.15Å
350	R	93.6	Very high	93.3	Very high	62 Å²	62	81.8 Å²	81.8	23%	0.234	36%	0.359	C	S	.	.	H	α-helix	trans	-64.2	-45	174.7	-72.2	179.5	-175.8	165.5	-0.5	110.6	R346 H347 R353 V354 L387 E390 E394	R346-R350 VanDerWaalsContact CD-NH2 3.27Å; R346-R350 WeakPolarHBondContact O-CG 3.35Å; R346-R350 PolarHBondContact O-N 2.86Å; H347-R350 PolarHBondContact O-N 2.89Å; R350-R353 PolarHBondContact O-N 2.85Å; R350-V354 PolarHBondContact O-N 3.28Å; R350-V354 VanDerWaalsContact O-N 3.13Å; R350-L387 HydrophobicContact CB-CD1 4.37Å; R350-L387 HydrophobicContact CB-CD2 4.41Å; R350-E390 IonicContact CZ-OE1 3.34Å; R350-E390 IonicContact NH1-OE1 3.55Å; R350-E390 PolarHBondContact NH1-OE1 3Å; R350-E390 IonicContact NH2-OE1 2.67Å; R350-E394 IonicContact NH1-OE1 2.7Å; R350-E394 IonicContact NH1-OE2 3.32Å; R350-E394 PolarHBondContact NH1-OE2 3.11Å; R350-E394 IonicContact NH2-OE1 3.69Å
351	M	94.6	Very high	93.3	Very high	47 Å²	47	80.4 Å²	80.4	23%	0.232	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-43.3	177.2	-72.3	-66	-75.2	0	0	112.5	H347 R348 R353 V354 R355 V384 L387	H347-M351 VanDerWaalsContact CE1-CG 3.46Å; H347-M351 WeakPolarHBondContact CE1-CG 3.44Å; H347-M351 WeakPolarHBondContact O-CB 3.18Å; H347-M351 VanDerWaalsContact O-CG 3.32Å; H347-M351 WeakPolarHBondContact O-CG 3.31Å; H347-M351 PolarHBondContact O-N 3.49Å; R348-M351 PolarHBondContact O-N 2.96Å; M351-R353 VanDerWaalsContact C-N 3.29Å; M351-R353 PolarHBondContact O-N 2.89Å; M351-V354 PolarHBondContact O-N 2.66Å; M351-R355 WeakPolarHBondContact O-CB 3.3Å; M351-R355 PolarHBondContact O-N 2.87Å; M351-V384 HydrophobicContact CE-CG1 3.97Å; M351-L387 HydrophobicContact SD-CB 4.01Å; M351-L387 HydrophobicContact SD-CD1 4.1Å
352	E	95.1	Very high	93.2	Very high	86 Å²	86	77.8 Å²	77.8	40%	0.402	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-36.2	177.7	-166.3	-173.3	160.5	0	0	111.8	R348 R355 K356	R348-E352 WeakPolarHBondContact O-CB 3.49Å; R348-E352 PolarHBondContact O-N 2.62Å; E352-R355 PolarHBondContact O-N 3.47Å; E352-K356 WeakPolarHBondContact O-CG 3.35Å; E352-K356 PolarHBondContact O-N 3.15Å; E352-K356 WeakPolarHBondContact OE1-CE 3.41Å; E352-K356 IonicContact OE1-NZ 3.88Å; E352-K356 PolarHBondContact OE1-NZ 2.75Å
353	R	96.2	Very high	93.1	Very high	151 Å²	151	83 Å²	83	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-64.1	-48.6	174.2	-175.2	176.6	64.8	-168.3	-0.2	111.5	N349 R350 M351 R355 K356 E357	N349-R353 PolarHBondContact O-N 3.45Å; N349-R353 VanDerWaalsContact O-N 3.15Å; R350-R353 PolarHBondContact O-N 2.85Å; M351-R353 VanDerWaalsContact C-N 3.29Å; M351-R353 PolarHBondContact O-N 2.89Å; R353-R355 VanDerWaalsContact C-N 3.3Å; R353-R355 PolarHBondContact O-N 3.39Å; R353-K356 PolarHBondContact O-N 3.12Å; R353-E357 WeakPolarHBondContact CG-OE1 3.38Å; R353-E357 WeakPolarHBondContact O-CG 3.42Å; R353-E357 PolarHBondContact O-N 3.46Å
354	V	96.3	Very high	92.9	Very high	6 Å²	6	89.7 Å²	89.7	4%	0.036	40%	0.395	C	S	.	.	H	α-helix	trans	-61.7	-40.5	177.4	172.7	0	0	0	0	111.1	R350 M351 K356 E357 W358 F380 M383 V384 L387	R350-V354 PolarHBondContact O-N 3.28Å; R350-V354 VanDerWaalsContact O-N 3.13Å; M351-V354 PolarHBondContact O-N 2.66Å; V354-K356 PolarHBondContact O-N 3.17Å; V354-E357 PolarHBondContact O-N 2.81Å; V354-W358 WeakPolarHBondContact O-CB 3.35Å; V354-W358 PolarHBondContact O-N 2.9Å; V354-F380 HydrophobicContact CG1-CD1 4.14Å; V354-M383 HydrophobicContact CB-SD 4.35Å; V354-M383 HydrophobicContact CG1-CB 4.5Å; V354-M383 HydrophobicContact CG1-CG 4.03Å; V354-M383 HydrophobicContact CG1-SD 3.82Å; V354-M383 HydrophobicContact CG2-CG 3.98Å; V354-M383 HydrophobicContact CG2-SD 3.63Å; V354-V384 HydrophobicContact CG1-CG2 4.05Å; V354-L387 HydrophobicContact CB-CD1 4.29Å; V354-L387 HydrophobicContact CG2-CD1 3.44Å; V354-L387 VanDerWaalsContact CG2-CD1 3.44Å
355	R	93.9	Very high	92.7	Very high	156 Å²	156	85.1 Å²	85.1	59%	0.589	37%	0.374	S	S	*	.	H	α-helix	trans	-59.7	-46.6	174.6	-176.3	-169	151.3	143.6	-0.4	111.9	M351 E352 R353 W358 E359	M351-R355 WeakPolarHBondContact O-CB 3.3Å; M351-R355 PolarHBondContact O-N 2.87Å; E352-R355 PolarHBondContact O-N 3.47Å; R353-R355 VanDerWaalsContact C-N 3.3Å; R353-R355 PolarHBondContact O-N 3.39Å; R355-W358 PolarHBondContact O-N 2.87Å; R355-E359 IonicContact CZ-OE1 3.23Å; R355-E359 VanDerWaalsContact CZ-OE1 3.23Å; R355-E359 IonicContact NE-OE1 2.83Å; R355-E359 PolarHBondContact NE-OE1 2.94Å; R355-E359 IonicContact NH2-OE1 2.8Å; R355-E359 PolarHBondContact NH2-OE1 3.37Å; R355-E359 WeakPolarHBondContact O-CG 3.37Å; R355-E359 PolarHBondContact O-N 3.14Å
356	K	96.1	Very high	92.1	Very high	108 Å²	108	91.3 Å²	91.3	47%	0.47	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-45.3	177.6	-75.9	173.8	-175.7	164.6	0	111.7	E352 R353 V354 W358 E359 E360	E352-K356 WeakPolarHBondContact O-CG 3.35Å; E352-K356 PolarHBondContact O-N 3.15Å; E352-K356 WeakPolarHBondContact OE1-CE 3.41Å; E352-K356 IonicContact OE1-NZ 3.88Å; E352-K356 PolarHBondContact OE1-NZ 2.75Å; R353-K356 PolarHBondContact O-N 3.12Å; V354-K356 PolarHBondContact O-N 3.17Å; K356-W358 VanDerWaalsContact C-N 3.27Å; K356-W358 PolarHBondContact O-N 3.36Å; K356-E359 PolarHBondContact O-N 2.78Å; K356-E360 WeakPolarHBondContact O-CG 3.43Å; K356-E360 PolarHBondContact O-N 2.9Å
357	E	95.6	Very high	91.7	Very high	86 Å²	86	97.3 Å²	97.3	40%	0.402	43%	0.426	S	S	.	.	H	α-helix	trans	-60.7	-38.4	175.8	-72.3	175.9	-166.2	0	0	111.6	R353 V354 A361 F380	R353-E357 WeakPolarHBondContact CG-OE1 3.38Å; R353-E357 WeakPolarHBondContact O-CG 3.42Å; R353-E357 PolarHBondContact O-N 3.46Å; V354-E357 PolarHBondContact O-N 2.81Å; E357-A361 VanDerWaalsContact O-CB 3.24Å; E357-A361 WeakPolarHBondContact O-CB 3.4Å; E357-A361 PolarHBondContact O-N 3.23Å; E357-F380 HydrophobicContact CB-CE1 4.02Å; E357-F380 HydrophobicContact CB-CZ 4.39Å
358	W	94.7	Very high	91.4	Very high	94 Å²	94	97.7 Å²	97.7	36%	0.356	43%	0.429	S	S	.	.	H	α-helix	trans	-66.2	-47.9	175.3	-174.6	12.3	0	0	0	112	V354 R355 K356 E360 A361 D362 F380	V354-W358 WeakPolarHBondContact O-CB 3.35Å; V354-W358 PolarHBondContact O-N 2.9Å; R355-W358 PolarHBondContact O-N 2.87Å; K356-W358 VanDerWaalsContact C-N 3.27Å; K356-W358 PolarHBondContact O-N 3.36Å; W358-E360 VanDerWaalsContact C-N 3.29Å; W358-E360 PolarHBondContact O-N 3.01Å; W358-A361 PolarHBondContact O-N 3.18Å; W358-D362 WeakPolarHBondContact O-CB 3.34Å; W358-D362 PolarHBondContact O-N 3.28Å; W358-F380 HydrophobicContact CB-CB 4.43Å; W358-F380 HydrophobicContact CB-CD1 3.67Å; W358-F380 HydrophobicContact CB-CD2 4.2Å; W358-F380 HydrophobicContact CB-CE1 3.88Å; W358-F380 HydrophobicContact CB-CE2 4.38Å; W358-F380 HydrophobicContact CB-CG 3.84Å; W358-F380 HydrophobicContact CB-CZ 4.23Å; W358-F380 AromaticContact CD1-CD2 3.59Å; W358-F380 AromaticContact CD1-CG 3.84Å; W358-F380 HydrophobicContact CD2-CB 4.06Å; W358-F380 HydrophobicContact CD2-CG 4.36Å; W358-F380 HydrophobicContact CG-CB 3.97Å; W358-F380 HydrophobicContact CG-CD1 4.11Å; W358-F380 AromaticContact CG-CD2 3.96Å; W358-F380 HydrophobicContact CG-CD2 3.96Å; W358-F380 HydrophobicContact CG-CE2 4.49Å; W358-F380 AromaticContact CG-CG 3.75Å; W358-F380 HydrophobicContact CG-CG 3.75Å
359	E	92.9	Very high	91.3	Very high	83 Å²	83	93.8 Å²	93.8	39%	0.388	43%	0.425	S	S	.	.	H	α-helix	trans	-60.2	-38.3	177.1	-74.9	-179.8	-164.5	0	0	112.3	R355 K356 R363	R355-E359 IonicContact CZ-OE1 3.23Å; R355-E359 VanDerWaalsContact CZ-OE1 3.23Å; R355-E359 IonicContact NE-OE1 2.83Å; R355-E359 PolarHBondContact NE-OE1 2.94Å; R355-E359 IonicContact NH2-OE1 2.8Å; R355-E359 PolarHBondContact NH2-OE1 3.37Å; R355-E359 WeakPolarHBondContact O-CG 3.37Å; R355-E359 PolarHBondContact O-N 3.14Å; K356-E359 PolarHBondContact O-N 2.78Å; E359-R363 WeakPolarHBondContact O-CB 3.26Å; E359-R363 PolarHBondContact O-N 2.91Å; E359-R363 VanDerWaalsContact O-N 3.1Å
360	E	93.8	Very high	90.9	Very high	112 Å²	112	100.2 Å²	100.2	52%	0.523	44%	0.443	S	S	.	.	H	α-helix	trans	-68.3	-45	175.2	-73.9	-177.1	-173.7	0	0	112	K356 W358 R363 Q364	K356-E360 WeakPolarHBondContact O-CG 3.43Å; K356-E360 PolarHBondContact O-N 2.9Å; W358-E360 VanDerWaalsContact C-N 3.29Å; W358-E360 PolarHBondContact O-N 3.01Å; E360-R363 WeakPolarHBondContact O-CB 3.35Å; E360-R363 PolarHBondContact O-N 3.32Å; E360-Q364 WeakPolarHBondContact O-CG 3.43Å; E360-Q364 PolarHBondContact O-N 3.44Å; E360-Q364 VanDerWaalsContact O-N 3.1Å
361	A	91.2	Very high	90.6	Very high	20 Å²	20	100.6 Å²	100.6	17%	0.165	46%	0.459	C	S	.	.	H	α-helix	trans	-64.6	-40.8	177.9	0	0	0	0	0	111.8	E357 W358 Q364 A365 L376 F380	E357-A361 VanDerWaalsContact O-CB 3.24Å; E357-A361 WeakPolarHBondContact O-CB 3.4Å; E357-A361 PolarHBondContact O-N 3.23Å; W358-A361 PolarHBondContact O-N 3.18Å; A361-Q364 PolarHBondContact O-N 3.13Å; A361-A365 VanDerWaalsContact O-CB 3.28Å; A361-A365 WeakPolarHBondContact O-CB 3.47Å; A361-A365 PolarHBondContact O-N 3Å; A361-L376 HydrophobicContact CB-CD1 4.19Å; A361-L376 HydrophobicContact CB-CD2 4.08Å; A361-F380 HydrophobicContact CB-CE2 3.54Å; A361-F380 HydrophobicContact CB-CZ 3.77Å
362	D	88.8	Confident	90.3	Very high	70 Å²	70	103.7 Å²	103.7	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-64.7	-40.9	176.3	-173.9	65.9	0	0	0	111.8	W358 Q364 A365 R366	W358-D362 WeakPolarHBondContact O-CB 3.34Å; W358-D362 PolarHBondContact O-N 3.28Å; D362-Q364 VanDerWaalsContact C-N 3.29Å; D362-Q364 PolarHBondContact O-N 3.39Å; D362-A365 PolarHBondContact O-N 3.49Å; D362-R366 PolarHBondContact O-N 2.98Å
363	R	89.5	Confident	90	Very high	165 Å²	165	104 Å²	104	62%	0.623	47%	0.471	S	S	*	.	H	α-helix	trans	-58.9	-41.1	174.4	-168.3	-174.5	-50.3	-173.1	4.8	111.9	E359 E360 A365 R366	E359-R363 WeakPolarHBondContact O-CB 3.26Å; E359-R363 PolarHBondContact O-N 2.91Å; E359-R363 VanDerWaalsContact O-N 3.1Å; E360-R363 WeakPolarHBondContact O-CB 3.35Å; E360-R363 PolarHBondContact O-N 3.32Å; R363-A365 VanDerWaalsContact C-N 3.35Å; R363-R366 WeakPolarHBondContact O-CG 3.26Å
364	Q	86.4	Confident	89.7	Confident	152 Å²	152	102.4 Å²	102.4	71%	0.71	47%	0.469	S	S	*	.	H	α-helix	trans	-72.2	-29.6	176	-66.2	177	28.3	0	0	112	E360 A361 D362 R366	E360-Q364 WeakPolarHBondContact O-CG 3.43Å; E360-Q364 PolarHBondContact O-N 3.44Å; E360-Q364 VanDerWaalsContact O-N 3.1Å; A361-Q364 PolarHBondContact O-N 3.13Å; D362-Q364 VanDerWaalsContact C-N 3.29Å; D362-Q364 PolarHBondContact O-N 3.39Å; Q364-R366 VanDerWaalsContact C-N 3.29Å; Q364-R366 PolarHBondContact O-N 3.08Å
365	A	85.6	Confident	89.5	Confident	1 Å²	1	106 Å²	106	1%	0.008	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-80.1	2.5	-177.3	0	0	0	0	0	115.8	A361 D362 R363 N367 I368 R373 L376	A361-A365 VanDerWaalsContact O-CB 3.28Å; A361-A365 WeakPolarHBondContact O-CB 3.47Å; A361-A365 PolarHBondContact O-N 3Å; D362-A365 PolarHBondContact O-N 3.49Å; R363-A365 VanDerWaalsContact C-N 3.35Å; A365-N367 PolarHBondContact O-N 3.1Å; A365-N367 VanDerWaalsContact O-N 3.1Å; A365-I368 HydrophobicContact CB-CB 4.43Å; A365-I368 HydrophobicContact CB-CD1 3.79Å; A365-I368 HydrophobicContact CB-CG1 4.3Å; A365-I368 PolarHBondContact O-N 3.33Å; A365-I368 VanDerWaalsContact O-N 3.12Å; A365-R373 PolarHBondContact O-NE 3.28Å; A365-R373 PolarHBondContact O-NH2 3.48Å; A365-L376 HydrophobicContact CB-CD2 3.68Å
366	R	79.8	Confident	89.4	Confident	183 Å²	183	100.6 Å²	100.6	69%	0.691	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30.1	-179.4	-74.7	-176.4	176.2	-126	-1.1	114.1	D362 R363 Q364 R373	D362-R366 PolarHBondContact O-N 2.98Å; R363-R366 WeakPolarHBondContact O-CG 3.26Å; Q364-R366 VanDerWaalsContact C-N 3.29Å; Q364-R366 PolarHBondContact O-N 3.08Å; R366-R373 PolarHBondContact O-NH2 2.97Å
367	N	80.9	Confident	89.2	Confident	163 Å²	163	97.7 Å²	97.7	87%	0.872	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-108.3	10.2	-178.6	-62.7	-32	0	0	0	114.4	A365	A365-N367 PolarHBondContact O-N 3.1Å; A365-N367 VanDerWaalsContact O-N 3.1Å
368	I	86.9	Confident	89.2	Confident	63 Å²	63	98.4 Å²	98.4	32%	0.323	47%	0.469	S	S	.	.	S	Bend	trans	-86.5	145.9	-176.9	-65.2	-175.6	0	0	0	111	A365 E372	A365-I368 HydrophobicContact CB-CB 4.43Å; A365-I368 HydrophobicContact CB-CD1 3.79Å; A365-I368 HydrophobicContact CB-CG1 4.3Å; A365-I368 PolarHBondContact O-N 3.33Å; A365-I368 VanDerWaalsContact O-N 3.12Å; I368-E372 HydrophobicContact CG2-CB 3.34Å; I368-E372 HydrophobicContact CG2-CG 4.38Å; I368-E372 WeakPolarHBondContact CG2-OE2 3.18Å
369	P	90.2	Very high	89.2	Confident	78 Å²	78	99 Å²	99	51%	0.506	48%	0.475	S	S	.	.			trans	-54.5	148	173.1	-25.2	34.6	0	0	0	113.3	A371 E372 R373	P369-A371 PolarHBondContact O-N 3.28Å; P369-A371 VanDerWaalsContact O-N 3.13Å; P369-E372 PolarHBondContact O-N 2.91Å; P369-E372 VanDerWaalsContact O-N 3.14Å; P369-R373 PolarHBondContact O-N 3.14Å
370	R	85.8	Confident	89.3	Confident	218 Å²	218	95.6 Å²	95.6	82%	0.823	46%	0.459	S	S	*	.	H	α-helix	trans	-55.2	-36.5	-175	-171.4	178	178.5	174.9	0.6	113.8	R373 Q374	R370-R373 PolarHBondContact O-N 2.97Å; R370-Q374 PolarHBondContact O-N 3.46Å
371	A	88.6	Confident	89.4	Confident	70 Å²	70	94.9 Å²	94.9	58%	0.579	46%	0.456	S	S	*	.	H	α-helix	trans	-65.8	-45.7	179.6	0	0	0	0	0	112.4	P369 R373 Q374 T375	P369-A371 PolarHBondContact O-N 3.28Å; P369-A371 VanDerWaalsContact O-N 3.13Å; A371-R373 VanDerWaalsContact C-N 3.34Å; A371-Q374 WeakPolarHBondContact O-CB 3.03Å; A371-Q374 PolarHBondContact O-N 3.33Å; A371-T375 PolarHBondContact O-N 2.67Å; A371-T375 VanDerWaalsContact O-N 3.14Å
372	E	88.9	Confident	89.6	Confident	113 Å²	113	96.5 Å²	96.5	53%	0.528	47%	0.469	S	S	.	.	H	α-helix	trans	-69	-33.1	177.6	-73.3	170.9	-149.4	0	0	111.9	I368 P369 T375 L376	I368-E372 HydrophobicContact CG2-CB 3.34Å; I368-E372 HydrophobicContact CG2-CG 4.38Å; I368-E372 WeakPolarHBondContact CG2-OE2 3.18Å; P369-E372 PolarHBondContact O-N 2.91Å; P369-E372 VanDerWaalsContact O-N 3.14Å; E372-T375 WeakPolarHBondContact CA-OG1 3.45Å; E372-T375 PolarHBondContact O-N 2.73Å; E372-T375 PolarHBondContact O-OG1 3.31Å; E372-L376 PolarHBondContact O-N 3.32Å; E372-L376 VanDerWaalsContact O-N 3.09Å
373	R	88.2	Confident	89.9	Confident	92 Å²	92	95.9 Å²	95.9	35%	0.347	47%	0.465	S	S	.	.	H	α-helix	trans	-64.8	-39.4	171.3	-171.3	180	-63.9	165	0.7	111.9	A365 R366 P369 R370 A371 L376 V377	A365-R373 PolarHBondContact O-NE 3.28Å; A365-R373 PolarHBondContact O-NH2 3.48Å; R366-R373 PolarHBondContact O-NH2 2.97Å; P369-R373 PolarHBondContact O-N 3.14Å; R370-R373 PolarHBondContact O-N 2.97Å; A371-R373 VanDerWaalsContact C-N 3.34Å; R373-L376 WeakPolarHBondContact O-CB 3.42Å; R373-L376 PolarHBondContact O-N 2.92Å; R373-V377 WeakPolarHBondContact O-CG2 3.31Å; R373-V377 PolarHBondContact O-N 2.91Å; R373-V377 VanDerWaalsContact O-N 3.1Å
374	Q	90	Very high	90.2	Very high	117 Å²	117	89.5 Å²	89.5	55%	0.547	44%	0.444	S	S	.	.	H	α-helix	trans	-65.1	-39.8	177.6	-172	170.5	-0.8	0	0	111.6	R370 A371 L376 V377 Q378	R370-Q374 PolarHBondContact O-N 3.46Å; A371-Q374 WeakPolarHBondContact O-CB 3.03Å; A371-Q374 PolarHBondContact O-N 3.33Å; Q374-L376 VanDerWaalsContact C-N 3.32Å; Q374-L376 PolarHBondContact O-N 3.23Å; Q374-V377 PolarHBondContact O-N 3.49Å; Q374-Q378 WeakPolarHBondContact O-CG 3.4Å; Q374-Q378 PolarHBondContact O-N 2.69Å
375	T	92	Very high	90.7	Very high	81 Å²	81	88.2 Å²	88.2	50%	0.497	44%	0.438	S	S	.	.	H	α-helix	trans	-65.5	-34.6	174.5	50.3	0	0	0	0	112.7	A371 E372 Q378 H379	A371-T375 PolarHBondContact O-N 2.67Å; A371-T375 VanDerWaalsContact O-N 3.14Å; E372-T375 WeakPolarHBondContact CA-OG1 3.45Å; E372-T375 PolarHBondContact O-N 2.73Å; E372-T375 PolarHBondContact O-OG1 3.31Å; T375-Q378 PolarHBondContact O-N 3.22Å; T375-H379 WeakPolarHBondContact O-CB 3.5Å; T375-H379 PolarHBondContact O-N 2.97Å
376	L	91.9	Very high	91.1	Very high	43 Å²	43	91.4 Å²	91.4	23%	0.225	46%	0.46	C	S	.	.	H	α-helix	trans	-64.3	-46.1	175.5	-173.1	69.1	0	0	0	111.6	A361 A365 E372 R373 Q374 H379 F380	A361-L376 HydrophobicContact CB-CD1 4.19Å; A361-L376 HydrophobicContact CB-CD2 4.08Å; A365-L376 HydrophobicContact CB-CD2 3.68Å; E372-L376 PolarHBondContact O-N 3.32Å; E372-L376 VanDerWaalsContact O-N 3.09Å; R373-L376 WeakPolarHBondContact O-CB 3.42Å; R373-L376 PolarHBondContact O-N 2.92Å; Q374-L376 VanDerWaalsContact C-N 3.32Å; Q374-L376 PolarHBondContact O-N 3.23Å; L376-H379 PolarHBondContact O-N 3.41Å; L376-F380 HydrophobicContact CD1-CD2 4.18Å; L376-F380 HydrophobicContact CD1-CE2 3.69Å; L376-F380 HydrophobicContact CG-CD2 4.15Å; L376-F380 HydrophobicContact CG-CE2 4.03Å; L376-F380 WeakPolarHBondContact O-CD2 3.35Å; L376-F380 PolarHBondContact O-N 3.09Å; L376-F380 VanDerWaalsContact O-N 3.15Å
377	V	91.5	Very high	91.9	Very high	47 Å²	47	83.8 Å²	83.8	29%	0.285	43%	0.433	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176.8	173.6	0	0	0	0	110.7	R373 Q374 H379 F380 Q381	R373-V377 WeakPolarHBondContact O-CG2 3.31Å; R373-V377 PolarHBondContact O-N 2.91Å; R373-V377 VanDerWaalsContact O-N 3.1Å; Q374-V377 PolarHBondContact O-N 3.49Å; V377-H379 VanDerWaalsContact C-N 3.3Å; V377-H379 PolarHBondContact O-N 2.66Å; V377-F380 PolarHBondContact O-N 3.19Å; V377-Q381 HydrophobicContact CG1-CG 4.27Å; V377-Q381 WeakPolarHBondContact O-CB 3.35Å; V377-Q381 WeakPolarHBondContact O-CG 3.15Å; V377-Q381 PolarHBondContact O-N 3.26Å
378	Q	94.7	Very high	92.4	Very high	102 Å²	102	80.8 Å²	80.8	48%	0.477	41%	0.414	S	S	.	.	H	α-helix	trans	-60.9	-38	177.1	-74.7	176.2	-19.4	0	0	112.7	Q374 T375 Q381 A382	Q374-Q378 WeakPolarHBondContact O-CG 3.4Å; Q374-Q378 PolarHBondContact O-N 2.69Å; T375-Q378 PolarHBondContact O-N 3.22Å; Q378-Q381 PolarHBondContact O-N 2.8Å; Q378-A382 WeakPolarHBondContact O-CB 3.46Å; Q378-A382 PolarHBondContact O-N 3.04Å
379	H	94.9	Very high	92.7	Very high	106 Å²	106	85 Å²	85	49%	0.491	43%	0.432	S	S	.	.	H	α-helix	trans	-63.4	-47.1	176.8	174	-88.1	0	0	0	112.1	T375 L376 V377 A382 M383	T375-H379 WeakPolarHBondContact O-CB 3.5Å; T375-H379 PolarHBondContact O-N 2.97Å; L376-H379 PolarHBondContact O-N 3.41Å; V377-H379 VanDerWaalsContact C-N 3.3Å; V377-H379 PolarHBondContact O-N 2.66Å; H379-A382 PolarHBondContact O-N 3.4Å; H379-M383 VanDerWaalsContact CE1-CE 3.47Å; H379-M383 WeakPolarHBondContact CE1-CE 3.23Å; H379-M383 WeakPolarHBondContact O-CB 3.34Å; H379-M383 PolarHBondContact O-N 2.99Å
380	F	95.8	Very high	92.7	Very high	12 Å²	12	84.7 Å²	84.7	5%	0.053	42%	0.424	C	S	.	.	H	α-helix	trans	-70.4	-34.8	177.8	-76.9	-72.2	0	0	0	112.6	V354 E357 W358 A361 L376 V377 M383 V384	V354-F380 HydrophobicContact CG1-CD1 4.14Å; E357-F380 HydrophobicContact CB-CE1 4.02Å; E357-F380 HydrophobicContact CB-CZ 4.39Å; W358-F380 HydrophobicContact CB-CB 4.43Å; W358-F380 HydrophobicContact CB-CD1 3.67Å; W358-F380 HydrophobicContact CB-CD2 4.2Å; W358-F380 HydrophobicContact CB-CE1 3.88Å; W358-F380 HydrophobicContact CB-CE2 4.38Å; W358-F380 HydrophobicContact CB-CG 3.84Å; W358-F380 HydrophobicContact CB-CZ 4.23Å; W358-F380 AromaticContact CD1-CD2 3.59Å; W358-F380 AromaticContact CD1-CG 3.84Å; W358-F380 HydrophobicContact CD2-CB 4.06Å; W358-F380 HydrophobicContact CD2-CG 4.36Å; W358-F380 HydrophobicContact CG-CB 3.97Å; W358-F380 HydrophobicContact CG-CD1 4.11Å; W358-F380 AromaticContact CG-CD2 3.96Å; W358-F380 HydrophobicContact CG-CD2 3.96Å; W358-F380 HydrophobicContact CG-CE2 4.49Å; W358-F380 AromaticContact CG-CG 3.75Å; W358-F380 HydrophobicContact CG-CG 3.75Å; A361-F380 HydrophobicContact CB-CE2 3.54Å; A361-F380 HydrophobicContact CB-CZ 3.77Å; L376-F380 HydrophobicContact CD1-CD2 4.18Å; L376-F380 HydrophobicContact CD1-CE2 3.69Å; L376-F380 HydrophobicContact CG-CD2 4.15Å; L376-F380 HydrophobicContact CG-CE2 4.03Å; L376-F380 WeakPolarHBondContact O-CD2 3.35Å; L376-F380 PolarHBondContact O-N 3.09Å; L376-F380 VanDerWaalsContact O-N 3.15Å; V377-F380 PolarHBondContact O-N 3.19Å; F380-M383 PolarHBondContact O-N 3.07Å; F380-V384 WeakPolarHBondContact O-CG2 3.46Å; F380-V384 PolarHBondContact O-N 2.94Å
381	Q	95.1	Very high	93	Very high	97 Å²	97	75 Å²	75	45%	0.453	39%	0.39	S	S	.	.	H	α-helix	trans	-58.7	-50.7	171	-77.7	177.5	-33.9	0	0	111.2	V377 Q378 M383 V384 E385	V377-Q381 HydrophobicContact CG1-CG 4.27Å; V377-Q381 WeakPolarHBondContact O-CB 3.35Å; V377-Q381 WeakPolarHBondContact O-CG 3.15Å; V377-Q381 PolarHBondContact O-N 3.26Å; Q378-Q381 PolarHBondContact O-N 2.8Å; Q381-M383 VanDerWaalsContact C-N 3.26Å; Q381-M383 PolarHBondContact O-N 3.26Å; Q381-V384 PolarHBondContact O-N 3.47Å; Q381-E385 WeakPolarHBondContact O-CG 3.25Å; Q381-E385 PolarHBondContact O-N 3.41Å
382	A	96.1	Very high	92.9	Very high	53 Å²	53	74.5 Å²	74.5	44%	0.438	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-33.8	177.3	0	0	0	0	0	112.7	Q378 H379 S386	Q378-A382 WeakPolarHBondContact O-CB 3.46Å; Q378-A382 PolarHBondContact O-N 3.04Å; H379-A382 PolarHBondContact O-N 3.4Å; A382-S386 VanDerWaalsContact O-CB 3.28Å; A382-S386 WeakPolarHBondContact O-CB 3.34Å; A382-S386 PolarHBondContact O-N 3.08Å
383	M	94.9	Very high	92.8	Very high	57 Å²	57	72.1 Å²	72.1	28%	0.281	38%	0.382	S	S	.	.	H	α-helix	trans	-68.9	-40.2	176	-173.5	174.7	-73.6	0	0	112.3	V354 H379 F380 Q381 L387	V354-M383 HydrophobicContact CB-SD 4.35Å; V354-M383 HydrophobicContact CG1-CB 4.5Å; V354-M383 HydrophobicContact CG1-CG 4.03Å; V354-M383 HydrophobicContact CG1-SD 3.82Å; V354-M383 HydrophobicContact CG2-CG 3.98Å; V354-M383 HydrophobicContact CG2-SD 3.63Å; H379-M383 VanDerWaalsContact CE1-CE 3.47Å; H379-M383 WeakPolarHBondContact CE1-CE 3.23Å; H379-M383 WeakPolarHBondContact O-CB 3.34Å; H379-M383 PolarHBondContact O-N 2.99Å; F380-M383 PolarHBondContact O-N 3.07Å; Q381-M383 VanDerWaalsContact C-N 3.26Å; Q381-M383 PolarHBondContact O-N 3.26Å; M383-L387 WeakPolarHBondContact O-CG 3.35Å; M383-L387 PolarHBondContact O-N 3.03Å; M383-L387 VanDerWaalsContact O-N 3.09Å
384	V	96.9	Very high	92.8	Very high	31 Å²	31	69.6 Å²	69.6	19%	0.188	37%	0.374	C	S	.	.	H	α-helix	trans	-65.4	-50.4	174.5	167.6	0	0	0	0	110.4	M351 V354 F380 Q381 S386 L387 E388	M351-V384 HydrophobicContact CE-CG1 3.97Å; V354-V384 HydrophobicContact CG1-CG2 4.05Å; F380-V384 WeakPolarHBondContact O-CG2 3.46Å; F380-V384 PolarHBondContact O-N 2.94Å; Q381-V384 PolarHBondContact O-N 3.47Å; V384-S386 VanDerWaalsContact C-N 3.27Å; V384-S386 PolarHBondContact O-N 2.96Å; V384-L387 PolarHBondContact O-N 3.23Å; V384-E388 HydrophobicContact CG1-CG 4.33Å; V384-E388 WeakPolarHBondContact CG1-OE1 3.35Å; V384-E388 WeakPolarHBondContact O-CG 3.41Å; V384-E388 PolarHBondContact O-N 2.94Å
385	E	95.1	Very high	92.8	Very high	125 Å²	125	68.6 Å²	68.6	58%	0.584	37%	0.368	S	S	*	.	H	α-helix	trans	-55	-43.6	177.1	-72.7	171.9	-175	0	0	111.4	Q381 L387 E388 E389	Q381-E385 WeakPolarHBondContact O-CG 3.25Å; Q381-E385 PolarHBondContact O-N 3.41Å; E385-L387 PolarHBondContact O-N 3.47Å; E385-E388 PolarHBondContact O-N 3.32Å; E385-E389 PolarHBondContact O-N 3.16Å
386	S	95.4	Very high	92.5	Very high	69 Å²	69	70 Å²	70	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-37.6	176.7	179.6	0	0	0	0	113.3	A382 V384 E390	A382-S386 VanDerWaalsContact O-CB 3.28Å; A382-S386 WeakPolarHBondContact O-CB 3.34Å; A382-S386 PolarHBondContact O-N 3.08Å; V384-S386 VanDerWaalsContact C-N 3.27Å; V384-S386 PolarHBondContact O-N 2.96Å; S386-E390 WeakPolarHBondContact O-CB 3.16Å; S386-E390 PolarHBondContact O-N 3.01Å
387	L	95	Very high	92.4	Very high	23 Å²	23	73 Å²	73	12%	0.12	38%	0.382	C	S	.	.	H	α-helix	trans	-74.3	-33.1	178.2	-77.1	-179.8	0	0	0	112.3	R350 M351 V354 M383 V384 E385 A391	R350-L387 HydrophobicContact CB-CD1 4.37Å; R350-L387 HydrophobicContact CB-CD2 4.41Å; M351-L387 HydrophobicContact SD-CB 4.01Å; M351-L387 HydrophobicContact SD-CD1 4.1Å; V354-L387 HydrophobicContact CB-CD1 4.29Å; V354-L387 HydrophobicContact CG2-CD1 3.44Å; V354-L387 VanDerWaalsContact CG2-CD1 3.44Å; M383-L387 WeakPolarHBondContact O-CG 3.35Å; M383-L387 PolarHBondContact O-N 3.03Å; M383-L387 VanDerWaalsContact O-N 3.09Å; V384-L387 PolarHBondContact O-N 3.23Å; E385-L387 PolarHBondContact O-N 3.47Å; L387-A391 WeakPolarHBondContact O-CB 3.39Å; L387-A391 PolarHBondContact O-N 2.92Å
388	E	92.3	Very high	92.3	Very high	99 Å²	99	70.9 Å²	70.9	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-44.3	172.9	-72.6	176.1	176.5	0	0	111	V384 E385 A391 A392	V384-E388 HydrophobicContact CG1-CG 4.33Å; V384-E388 WeakPolarHBondContact CG1-OE1 3.35Å; V384-E388 WeakPolarHBondContact O-CG 3.41Å; V384-E388 PolarHBondContact O-N 2.94Å; E385-E388 PolarHBondContact O-N 3.32Å; E388-A391 PolarHBondContact O-N 3.02Å; E388-A392 WeakPolarHBondContact O-CB 3.33Å; E388-A392 PolarHBondContact O-N 2.87Å
389	E	93.1	Very high	91.9	Very high	151 Å²	151	68 Å²	68	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-64	-43.4	175.8	-171.8	175.7	-171.8	0	0	111.9	E385 A392 S393	E385-E389 PolarHBondContact O-N 3.16Å; E389-A392 PolarHBondContact O-N 3.27Å; E389-S393 PolarHBondContact O-N 2.99Å; E389-S393 PolarHBondContact O-OG 2.94Å
390	E	91.1	Very high	91.4	Very high	73 Å²	73	67.6 Å²	67.6	34%	0.341	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-48.7	175.4	-171.8	-176.8	157.1	0	0	110.9	R350 S386 A392 S393 E394	R350-E390 IonicContact CZ-OE1 3.34Å; R350-E390 IonicContact NH1-OE1 3.55Å; R350-E390 PolarHBondContact NH1-OE1 3Å; R350-E390 IonicContact NH2-OE1 2.67Å; S386-E390 WeakPolarHBondContact O-CB 3.16Å; S386-E390 PolarHBondContact O-N 3.01Å; E390-A392 PolarHBondContact O-N 2.78Å; E390-S393 PolarHBondContact O-N 3.33Å; E390-S393 PolarHBondContact O-OG 3.03Å; E390-E394 WeakPolarHBondContact O-CG 3.25Å; E390-E394 PolarHBondContact O-N 3.43Å
391	A	91.3	Very high	91.1	Very high	14 Å²	14	68.8 Å²	68.8	12%	0.116	37%	0.365	C	S	.	.	H	α-helix	trans	-65.4	-37.9	179.8	0	0	0	0	0	113.1	H347 L387 E388 S393 K395	H347-A391 HydrophobicContact CB-CB 4.19Å; H347-A391 WeakPolarHBondContact ND1-CB 3.37Å; L387-A391 WeakPolarHBondContact O-CB 3.39Å; L387-A391 PolarHBondContact O-N 2.92Å; E388-A391 PolarHBondContact O-N 3.02Å; A391-S393 VanDerWaalsContact C-N 3.32Å; A391-S393 PolarHBondContact O-N 3.29Å; A391-K395 VanDerWaalsContact O-CB 3.26Å; A391-K395 WeakPolarHBondContact O-CB 3.46Å; A391-K395 PolarHBondContact O-N 2.85Å
392	A	87	Confident	90.8	Very high	59 Å²	59	64.8 Å²	64.8	49%	0.488	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-42.9	173.3	0	0	0	0	0	111.1	E388 E389 E390 Q396	E388-A392 WeakPolarHBondContact O-CB 3.33Å; E388-A392 PolarHBondContact O-N 2.87Å; E389-A392 PolarHBondContact O-N 3.27Å; E390-A392 PolarHBondContact O-N 2.78Å; A392-Q396 WeakPolarHBondContact O-CB 3.42Å; A392-Q396 PolarHBondContact O-N 2.54Å
393	S	86.4	Confident	90.2	Very high	64 Å²	64	64.2 Å²	64.2	45%	0.448	34%	0.336	S	S	.	.	H	α-helix	trans	-68	-43	178.4	75.4	0	0	0	0	113.1	E389 E390 A391 K395 Q396 Q397	E389-S393 PolarHBondContact O-N 2.99Å; E389-S393 PolarHBondContact O-OG 2.94Å; E390-S393 PolarHBondContact O-N 3.33Å; E390-S393 PolarHBondContact O-OG 3.03Å; A391-S393 VanDerWaalsContact C-N 3.32Å; A391-S393 PolarHBondContact O-N 3.29Å; S393-K395 PolarHBondContact O-N 3Å; S393-Q396 PolarHBondContact O-N 3.33Å; S393-Q397 WeakPolarHBondContact O-CB 3.49Å; S393-Q397 PolarHBondContact O-N 2.86Å
394	E	89.3	Confident	89.8	Confident	38 Å²	38	63.3 Å²	63.3	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-42.2	176.5	-69.1	-179.1	139.5	0	0	110.5	L343 R346 R350 E390 Q397 L398	L343-E394 HydrophobicContact CD1-CB 3.73Å; L343-E394 HydrophobicContact CD1-CG 4.37Å; L343-E394 WeakPolarHBondContact CD1-OE2 3.42Å; L343-E394 HydrophobicContact CD2-CB 3.98Å; L343-E394 HydrophobicContact CG-CB 4.39Å; R346-E394 IonicContact NH1-OE1 3.07Å; R346-E394 PolarHBondContact NH1-OE1 2.9Å; R346-E394 IonicContact NH1-OE2 3.43Å; R350-E394 IonicContact NH1-OE1 2.7Å; R350-E394 IonicContact NH1-OE2 3.32Å; R350-E394 PolarHBondContact NH1-OE2 3.11Å; R350-E394 IonicContact NH2-OE1 3.69Å; E390-E394 WeakPolarHBondContact O-CG 3.25Å; E390-E394 PolarHBondContact O-N 3.43Å; E394-Q397 PolarHBondContact O-N 3.11Å; E394-L398 WeakPolarHBondContact O-CB 3.06Å; E394-L398 PolarHBondContact O-N 3.38Å
395	K	88.4	Confident	89.5	Confident	97 Å²	97	63.5 Å²	63.5	42%	0.422	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-43.5	177.1	-177.7	178.4	178.7	177.6	0	111.1	L343 A391 S393 L398 V399	L343-K395 HydrophobicContact CD2-CB 4.17Å; A391-K395 VanDerWaalsContact O-CB 3.26Å; A391-K395 WeakPolarHBondContact O-CB 3.46Å; A391-K395 PolarHBondContact O-N 2.85Å; S393-K395 PolarHBondContact O-N 3Å; K395-L398 PolarHBondContact O-N 3.49Å; K395-V399 VanDerWaalsContact O-CG2 3.32Å; K395-V399 WeakPolarHBondContact O-CG2 3.36Å; K395-V399 PolarHBondContact O-N 3.28Å
396	Q	85.8	Confident	89.1	Confident	111 Å²	111	57.9 Å²	57.9	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-47.8	177.8	-178.4	174.3	-7.1	0	0	111.3	A392 S393 L398 V399 E400	A392-Q396 WeakPolarHBondContact O-CB 3.42Å; A392-Q396 PolarHBondContact O-N 2.54Å; S393-Q396 PolarHBondContact O-N 3.33Å; Q396-L398 VanDerWaalsContact C-N 3.29Å; Q396-L398 PolarHBondContact O-N 3.24Å; Q396-V399 PolarHBondContact O-N 3.31Å; Q396-E400 HydrophobicContact CG-CG 4.28Å; Q396-E400 WeakPolarHBondContact CG-OE1 3.14Å; Q396-E400 PolarHBondContact NE2-OE1 2.81Å; Q396-E400 WeakPolarHBondContact O-CB 3.38Å; Q396-E400 WeakPolarHBondContact O-CG 3.4Å; Q396-E400 PolarHBondContact O-N 3.03Å
397	Q	89.6	Confident	88.5	Confident	106 Å²	106	58.6 Å²	58.6	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-58.4	-41.9	177.8	-176.3	-177.6	2.6	0	0	112.1	F324 S393 E394 T401	F324-Q397 HydrophobicContact CE1-CG 4.15Å; F324-Q397 HydrophobicContact CZ-CG 4Å; S393-Q397 WeakPolarHBondContact O-CB 3.49Å; S393-Q397 PolarHBondContact O-N 2.86Å; E394-Q397 PolarHBondContact O-N 3.11Å; Q397-T401 WeakPolarHBondContact O-CB 2.97Å; Q397-T401 PolarHBondContact O-N 3.03Å; Q397-T401 PolarHBondContact O-OG1 3.45Å
398	L	89.9	Confident	88.1	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-47.1	177.8	-173	71.7	0	0	0	111.4	Y323 F324 F336 A339 K340 L343 E394 K395 Q396 H402	Y323-L398 HydrophobicContact CD1-CD1 3.31Å; Y323-L398 HydrophobicContact CE1-CD1 3.43Å; Y323-L398 VanDerWaalsContact CE1-CD1 3.43Å; Y323-L398 HydrophobicContact CE1-CG 4.46Å; Y323-L398 HydrophobicContact CG-CD1 4.1Å; F324-L398 HydrophobicContact CZ-CB 4.47Å; F324-L398 HydrophobicContact CZ-CD1 4.07Å; F336-L398 HydrophobicContact CD2-CD2 4.3Å; F336-L398 HydrophobicContact CD2-CG 4.01Å; F336-L398 HydrophobicContact CE2-CD2 4.06Å; F336-L398 HydrophobicContact CE2-CG 3.84Å; A339-L398 HydrophobicContact CB-CD1 3.88Å; A339-L398 HydrophobicContact CB-CD2 4.28Å; K340-L398 HydrophobicContact CB-CD2 3.99Å; L343-L398 HydrophobicContact CD2-CD2 4.26Å; E394-L398 WeakPolarHBondContact O-CB 3.06Å; E394-L398 PolarHBondContact O-N 3.38Å; K395-L398 PolarHBondContact O-N 3.49Å; Q396-L398 VanDerWaalsContact C-N 3.29Å; Q396-L398 PolarHBondContact O-N 3.24Å; L398-H402 WeakPolarHBondContact O-CB 3.22Å; L398-H402 PolarHBondContact O-N 3.17Å
399	V	87.2	Confident	87.9	Confident	41 Å²	41	56.3 Å²	56.3	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-45.3	179.3	172.5	0	0	0	0	111.5	F336 K395 Q396 T401 H402 L403	F336-V399 HydrophobicContact CE2-CG2 4.38Å; F336-V399 HydrophobicContact CZ-CG2 4.18Å; K395-V399 VanDerWaalsContact O-CG2 3.32Å; K395-V399 WeakPolarHBondContact O-CG2 3.36Å; K395-V399 PolarHBondContact O-N 3.28Å; Q396-V399 PolarHBondContact O-N 3.31Å; V399-T401 VanDerWaalsContact C-N 3.33Å; V399-T401 PolarHBondContact O-N 3.43Å; V399-H402 PolarHBondContact O-N 3.07Å; V399-L403 HydrophobicContact CG1-CD1 3.83Å; V399-L403 HydrophobicContact CG1-CG 4.26Å; V399-L403 VanDerWaalsContact O-CG 3.29Å; V399-L403 WeakPolarHBondContact O-CG 3.04Å; V399-L403 PolarHBondContact O-N 3.5Å
400	E	84.1	Confident	87.6	Confident	98 Å²	98	49.6 Å²	49.6	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-41.7	179.3	-74.1	177.2	-179.1	0	0	111.9	Q396 L403 A404	Q396-E400 HydrophobicContact CG-CG 4.28Å; Q396-E400 WeakPolarHBondContact CG-OE1 3.14Å; Q396-E400 PolarHBondContact NE2-OE1 2.81Å; Q396-E400 WeakPolarHBondContact O-CB 3.38Å; Q396-E400 WeakPolarHBondContact O-CG 3.4Å; Q396-E400 PolarHBondContact O-N 3.03Å; E400-L403 PolarHBondContact O-N 3.4Å; E400-A404 WeakPolarHBondContact O-CB 3.13Å; E400-A404 PolarHBondContact O-N 3.06Å
401	T	89.1	Confident	87.5	Confident	37 Å²	37	48.6 Å²	48.6	23%	0.227	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-44.2	176.7	-57.3	0	0	0	0	111.3	Y323 F324 Q397 V399 A404 R405	Y323-T401 HydrophobicContact CE1-CG2 4.19Å; F324-T401 HydrophobicContact CD1-CG2 4.04Å; F324-T401 HydrophobicContact CE1-CG2 4.1Å; F324-T401 WeakPolarHBondContact CE1-OG1 3.37Å; Q397-T401 WeakPolarHBondContact O-CB 2.97Å; Q397-T401 PolarHBondContact O-N 3.03Å; Q397-T401 PolarHBondContact O-OG1 3.45Å; V399-T401 VanDerWaalsContact C-N 3.33Å; V399-T401 PolarHBondContact O-N 3.43Å; T401-A404 PolarHBondContact O-N 3.37Å; T401-R405 WeakPolarHBondContact O-CG 3.38Å; T401-R405 PolarHBondContact O-N 2.88Å
402	H	87.9	Confident	87.4	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-48.8	177.1	178.3	58.9	0	0	0	112.1	Y323 E332 F336 L398 V399 A404 R405 V406	Y323-H402 WeakPolarHBondContact OH-CA 3.32Å; Y323-H402 VanDerWaalsContact OH-CB 3.28Å; Y323-H402 WeakPolarHBondContact OH-CB 3.28Å; Y323-H402 PolarHBondContact OH-N 3.38Å; E332-H402 IonicContact OE1-ND1 2.72Å; F336-H402 WeakPolarHBondContact CB-ND1 3.05Å; F336-H402 AromaticContact CD1-CD2 3.56Å; F336-H402 AromaticContact CD1-CE1 3.8Å; F336-H402 AromaticContact CD1-CG 3.79Å; F336-H402 AromaticContact CD1-ND1 3.95Å; F336-H402 AromaticContact CD1-NE2 3.56Å; F336-H402 HydrophobicContact CD2-CB 3.5Å; F336-H402 VanDerWaalsContact CD2-CB 3.5Å; F336-H402 AromaticContact CD2-CG 3.55Å; F336-H402 AromaticContact CD2-ND1 3.98Å; F336-H402 AromaticContact CE1-CD2 3.58Å; F336-H402 AromaticContact CE1-NE2 3.9Å; F336-H402 HydrophobicContact CE2-CB 3.67Å; F336-H402 AromaticContact CE2-CG 3.89Å; F336-H402 HydrophobicContact CG-CB 4Å; F336-H402 AromaticContact CG-CD2 3.78Å; F336-H402 AromaticContact CG-CE1 3.83Å; F336-H402 AromaticContact CG-CG 3.49Å; F336-H402 VanDerWaalsContact CG-CG 3.49Å; F336-H402 AromaticContact CG-ND1 3.54Å; F336-H402 AromaticContact CG-NE2 3.98Å; F336-H402 HydrophobicContact CZ-CB 4.29Å; F336-H402 AromaticContact CZ-CD2 3.86Å; L398-H402 WeakPolarHBondContact O-CB 3.22Å; L398-H402 PolarHBondContact O-N 3.17Å; V399-H402 PolarHBondContact O-N 3.07Å; H402-A404 VanDerWaalsContact C-N 3.33Å; H402-A404 PolarHBondContact O-N 2.91Å; H402-R405 PolarHBondContact O-N 3.41Å; H402-V406 WeakPolarHBondContact CE1-CG2 3.5Å; H402-V406 WeakPolarHBondContact O-CG2 3.27Å; H402-V406 PolarHBondContact O-N 2.92Å
403	L	83.9	Confident	87.6	Confident	42 Å²	42	52.8 Å²	52.8	22%	0.22	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-44.2	179.1	-70	172.3	0	0	0	111.6	V399 E400 R405 V406 E407	V399-L403 HydrophobicContact CG1-CD1 3.83Å; V399-L403 HydrophobicContact CG1-CG 4.26Å; V399-L403 VanDerWaalsContact O-CG 3.29Å; V399-L403 WeakPolarHBondContact O-CG 3.04Å; V399-L403 PolarHBondContact O-N 3.5Å; E400-L403 PolarHBondContact O-N 3.4Å; L403-R405 VanDerWaalsContact C-N 3.34Å; L403-R405 PolarHBondContact O-N 2.71Å; L403-V406 PolarHBondContact O-N 3.3Å; L403-E407 WeakPolarHBondContact O-CB 3.47Å; L403-E407 PolarHBondContact O-N 2.93Å
404	A	87	Confident	87.8	Confident	38 Å²	38	51.8 Å²	51.8	31%	0.314	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-38.9	177.3	0	0	0	0	0	112.6	E400 T401 H402 A408	E400-A404 WeakPolarHBondContact O-CB 3.13Å; E400-A404 PolarHBondContact O-N 3.06Å; T401-A404 PolarHBondContact O-N 3.37Å; H402-A404 VanDerWaalsContact C-N 3.33Å; H402-A404 PolarHBondContact O-N 2.91Å; A404-A408 WeakPolarHBondContact O-CB 3.34Å; A404-A408 PolarHBondContact O-N 2.7Å
405	R	89.8	Confident	87.9	Confident	35 Å²	35	55.2 Å²	55.2	13%	0.132	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-44.8	176.1	-72.8	177	178.6	178.6	0.5	111.9	Y323 F324 T326 A328 E332 T401 H402 L403 A408 M409	Y323-R405 PolarHBondContact O-NH1 2.94Å; Y323-R405 PolarHBondContact O-NH2 3.49Å; F324-R405 PolarHBondContact O-NH2 3.46Å; F324-R405 VanDerWaalsContact O-NH2 3.11Å; T326-R405 PolarHBondContact O-NH2 3.48Å; A328-R405 HydrophobicContact CB-CB 4.01Å; A328-R405 HydrophobicContact CB-CG 4.01Å; E332-R405 HydrophobicContact CG-CB 4.36Å; E332-R405 VanDerWaalsContact OE1-CD 3.25Å; E332-R405 WeakPolarHBondContact OE1-CD 3.4Å; E332-R405 IonicContact OE1-NH1 3.59Å; E332-R405 IonicContact OE2-NH1 3.82Å; T401-R405 WeakPolarHBondContact O-CG 3.38Å; T401-R405 PolarHBondContact O-N 2.88Å; H402-R405 PolarHBondContact O-N 3.41Å; L403-R405 VanDerWaalsContact C-N 3.34Å; L403-R405 PolarHBondContact O-N 2.71Å; R405-A408 PolarHBondContact O-N 3.37Å; R405-M409 WeakPolarHBondContact O-CB 3.3Å; R405-M409 VanDerWaalsContact O-CG 3.29Å; R405-M409 WeakPolarHBondContact O-CG 3.46Å; R405-M409 PolarHBondContact O-N 3.12Å
406	V	87.5	Confident	88.1	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-44	178.1	172.6	0	0	0	0	110.6	E332 H402 L403 A408 M409 L410 H452	E332-V406 HydrophobicContact CG-CG2 4.48Å; H402-V406 WeakPolarHBondContact CE1-CG2 3.5Å; H402-V406 WeakPolarHBondContact O-CG2 3.27Å; H402-V406 PolarHBondContact O-N 2.92Å; L403-V406 PolarHBondContact O-N 3.3Å; V406-A408 PolarHBondContact O-N 3.24Å; V406-M409 PolarHBondContact O-N 2.99Å; V406-L410 HydrophobicContact CG1-CD1 3.75Å; V406-L410 HydrophobicContact CG1-CG 4.19Å; V406-L410 WeakPolarHBondContact O-CB 3.36Å; V406-L410 VanDerWaalsContact O-CG 3.23Å; V406-L410 WeakPolarHBondContact O-CG 3.48Å; V406-L410 PolarHBondContact O-N 2.84Å; V406-H452 WeakPolarHBondContact CG1-NE2 3.37Å
407	E	82.3	Confident	88.6	Confident	83 Å²	83	49.1 Å²	49.1	39%	0.388	25%	0.252	S	S	.	.	H	α-helix	trans	-59.3	-47	175.3	-176.9	179	-173.9	0	0	111.8	L403 M409 L410 N411	L403-E407 WeakPolarHBondContact O-CB 3.47Å; L403-E407 PolarHBondContact O-N 2.93Å; E407-M409 PolarHBondContact O-N 3.42Å; E407-L410 PolarHBondContact O-N 3.27Å; E407-N411 WeakPolarHBondContact O-CB 3.5Å; E407-N411 VanDerWaalsContact O-CG 3.31Å; E407-N411 PolarHBondContact O-N 3.05Å; E407-N411 PolarHBondContact O-ND2 2.83Å; E407-N411 VanDerWaalsContact O-ND2 3.11Å
408	A	87.8	Confident	88.8	Confident	50 Å²	50	46.2 Å²	46.2	41%	0.413	24%	0.239	S	C	.	.	H	α-helix	trans	-60.6	-45.3	176.5	0	0	0	0	0	112.1	A404 R405 V406 N411 D412	A404-A408 WeakPolarHBondContact O-CB 3.34Å; A404-A408 PolarHBondContact O-N 2.7Å; R405-A408 PolarHBondContact O-N 3.37Å; V406-A408 PolarHBondContact O-N 3.24Å; A408-N411 PolarHBondContact O-N 2.88Å; A408-D412 PolarHBondContact O-N 2.79Å
409	M	87.8	Confident	89	Confident	24 Å²	24	50.4 Å²	50.4	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-41.4	177.7	-73.8	177.1	63.4	0	0	112.9	A328 D329 E332 R405 V406 E407 N411 D412 R413	A328-M409 HydrophobicContact CB-CG 4.19Å; A328-M409 HydrophobicContact CB-SD 4.09Å; D329-M409 VanDerWaalsContact C-CE 3.42Å; D329-M409 WeakPolarHBondContact O-CE 3.02Å; D329-M409 VanDerWaalsContact O-SD 3.36Å; E332-M409 HydrophobicContact CB-SD 3.89Å; E332-M409 HydrophobicContact CG-SD 4.29Å; R405-M409 WeakPolarHBondContact O-CB 3.3Å; R405-M409 VanDerWaalsContact O-CG 3.29Å; R405-M409 WeakPolarHBondContact O-CG 3.46Å; R405-M409 PolarHBondContact O-N 3.12Å; V406-M409 PolarHBondContact O-N 2.99Å; E407-M409 PolarHBondContact O-N 3.42Å; M409-N411 VanDerWaalsContact C-N 3.35Å; M409-D412 PolarHBondContact O-N 2.93Å; M409-R413 WeakPolarHBondContact O-CB 3.35Å; M409-R413 WeakPolarHBondContact O-CG 3.28Å; M409-R413 PolarHBondContact O-N 3.42Å
410	L	87.2	Confident	89.4	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-43.5	176.3	-72.8	169.9	0	0	0	110.9	V406 E407 R413 R414 K448 H452	V406-L410 HydrophobicContact CG1-CD1 3.75Å; V406-L410 HydrophobicContact CG1-CG 4.19Å; V406-L410 WeakPolarHBondContact O-CB 3.36Å; V406-L410 VanDerWaalsContact O-CG 3.23Å; V406-L410 WeakPolarHBondContact O-CG 3.48Å; V406-L410 PolarHBondContact O-N 2.84Å; E407-L410 PolarHBondContact O-N 3.27Å; L410-R413 PolarHBondContact O-N 3.23Å; L410-R414 WeakPolarHBondContact O-CB 3.18Å; L410-R414 PolarHBondContact O-N 2.77Å; L410-K448 HydrophobicContact CD2-CB 4.03Å; L410-K448 HydrophobicContact CD2-CD 4.17Å; L410-K448 HydrophobicContact CD2-CG 3.84Å; L410-H452 HydrophobicContact CD1-CB 3.93Å
411	N	88.4	Confident	90	Very high	53 Å²	53	48.2 Å²	48.2	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-44.1	176	-77.3	-38.2	0	0	0	112.2	E407 A408 M409 R414 R415	E407-N411 WeakPolarHBondContact O-CB 3.5Å; E407-N411 VanDerWaalsContact O-CG 3.31Å; E407-N411 PolarHBondContact O-N 3.05Å; E407-N411 PolarHBondContact O-ND2 2.83Å; E407-N411 VanDerWaalsContact O-ND2 3.11Å; A408-N411 PolarHBondContact O-N 2.88Å; M409-N411 VanDerWaalsContact C-N 3.35Å; N411-R414 PolarHBondContact OD1-NH1 3.05Å; N411-R414 PolarHBondContact OD1-NH2 3.47Å; N411-R415 WeakPolarHBondContact O-CB 3.36Å; N411-R415 PolarHBondContact O-N 2.02Å
412	D	89	Confident	90.2	Very high	83 Å²	83	49 Å²	49	44%	0.444	25%	0.252	S	S	.	.	H	α-helix	trans	-66.9	-44.3	177.5	-88.8	-35	0	0	0	112.3	A408 M409 R414 R415 V416	A408-D412 PolarHBondContact O-N 2.79Å; M409-D412 PolarHBondContact O-N 2.93Å; D412-R414 VanDerWaalsContact C-N 3.35Å; D412-R414 PolarHBondContact O-N 3.27Å; D412-R415 PolarHBondContact O-N 2.73Å; D412-R415 IonicContact OD1-CZ 3.51Å; D412-R415 IonicContact OD1-NE 3.64Å; D412-R415 IonicContact OD1-NH2 3.6Å; D412-R415 PolarHBondContact OD1-NH2 2.84Å; D412-R415 VanDerWaalsContact OD1-NH2 3.11Å; D412-V416 WeakPolarHBondContact O-CG2 3.27Å; D412-V416 PolarHBondContact O-N 2.72Å
413	R	90.7	Very high	90.5	Very high	78 Å²	78	51.1 Å²	51.1	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-44.2	175.7	-75.9	177.7	179.2	167	-4.8	111.6	D330 M409 L410 A417	D330-R413 IonicContact OD1-CZ 3.48Å; D330-R413 IonicContact OD1-NE 3.41Å; D330-R413 IonicContact OD1-NH2 2.7Å; D330-R413 PolarHBondContact OD1-NH2 3.33Å; M409-R413 WeakPolarHBondContact O-CB 3.35Å; M409-R413 WeakPolarHBondContact O-CG 3.28Å; M409-R413 PolarHBondContact O-N 3.42Å; L410-R413 PolarHBondContact O-N 3.23Å; R413-A417 VanDerWaalsContact O-CB 3.28Å; R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.28Å
414	R	91.1	Very high	91.1	Very high	42 Å²	42	49.2 Å²	49.2	16%	0.158	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-48.6	174.4	-180	-172.7	66.9	-137.1	1.2	111.2	L410 N411 D412 A417 L418 Y442 E446 D449 R485	L410-R414 WeakPolarHBondContact O-CB 3.18Å; L410-R414 PolarHBondContact O-N 2.77Å; N411-R414 PolarHBondContact OD1-NH1 3.05Å; N411-R414 PolarHBondContact OD1-NH2 3.47Å; D412-R414 VanDerWaalsContact C-N 3.35Å; D412-R414 PolarHBondContact O-N 3.27Å; R414-A417 PolarHBondContact O-N 3.44Å; R414-L418 WeakPolarHBondContact O-CB 3.28Å; R414-L418 PolarHBondContact O-N 3.32Å; R414-Y442 HydrophobicContact CG-CE2 3.93Å; R414-E446 WeakPolarHBondContact CD-OE1 3.36Å; R414-D449 IonicContact NH1-OD2 3.06Å; R414-R485 VanDerWaalsContact CD-CZ 3.49Å; R414-R485 VanDerWaalsContact CZ-CZ 3.48Å
415	R	91.4	Very high	91.3	Very high	111 Å²	111	48.2 Å²	48.2	42%	0.419	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-49.2	-178.7	-178.9	174.1	65.1	93	-1.7	111.6	N411 D412 A417 L418 E419	N411-R415 WeakPolarHBondContact O-CB 3.36Å; N411-R415 PolarHBondContact O-N 2.02Å; D412-R415 PolarHBondContact O-N 2.73Å; D412-R415 IonicContact OD1-CZ 3.51Å; D412-R415 IonicContact OD1-NE 3.64Å; D412-R415 IonicContact OD1-NH2 3.6Å; D412-R415 PolarHBondContact OD1-NH2 2.84Å; D412-R415 VanDerWaalsContact OD1-NH2 3.11Å; R415-A417 PolarHBondContact O-N 3.03Å; R415-L418 PolarHBondContact O-N 3.39Å; R415-E419 WeakPolarHBondContact CG-OE1 3.48Å; R415-E419 IonicContact NH1-OE1 3.55Å; R415-E419 PolarHBondContact NH1-OE1 3.3Å; R415-E419 VanDerWaalsContact NH1-OE1 3.09Å; R415-E419 WeakPolarHBondContact O-CB 3.48Å; R415-E419 WeakPolarHBondContact O-CG 3.29Å; R415-E419 PolarHBondContact O-N 2.67Å
416	V	93.5	Very high	91.4	Very high	68 Å²	68	54 Å²	54	41%	0.412	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-43	178.6	173.1	0	0	0	0	111.1	D412 L418 E419 N420	D412-V416 WeakPolarHBondContact O-CG2 3.27Å; D412-V416 PolarHBondContact O-N 2.72Å; V416-L418 VanDerWaalsContact C-N 3.34Å; V416-L418 PolarHBondContact O-N 3.29Å; V416-E419 PolarHBondContact O-N 3.06Å; V416-N420 WeakPolarHBondContact O-CB 3.39Å; V416-N420 VanDerWaalsContact O-CG 3.29Å; V416-N420 PolarHBondContact O-N 3.33Å; V416-N420 PolarHBondContact O-ND2 3.44Å
417	A	95.4	Very high	91.7	Very high	12 Å²	12	55.2 Å²	55.2	10%	0.099	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-38.6	177.7	0	0	0	0	0	112.3	R413 R414 R415 N420 Y421 Y442 A445	R413-A417 VanDerWaalsContact O-CB 3.28Å; R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.28Å; R414-A417 PolarHBondContact O-N 3.44Å; R415-A417 PolarHBondContact O-N 3.03Å; A417-N420 PolarHBondContact O-N 3.31Å; A417-Y421 WeakPolarHBondContact O-CB 3.47Å; A417-Y421 PolarHBondContact O-N 3.49Å; A417-Y442 HydrophobicContact CB-CD2 4.35Å; A417-A445 HydrophobicContact CB-CB 4.4Å
418	L	94.3	Very high	92.1	Very high	45 Å²	45	58.9 Å²	58.9	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-46.5	175	-176.7	62.2	0	0	0	111.7	R414 R415 V416 N420 Y421 L422 Y442	R414-L418 WeakPolarHBondContact O-CB 3.28Å; R414-L418 PolarHBondContact O-N 3.32Å; R415-L418 PolarHBondContact O-N 3.39Å; V416-L418 VanDerWaalsContact C-N 3.34Å; V416-L418 PolarHBondContact O-N 3.29Å; L418-N420 VanDerWaalsContact C-N 3.29Å; L418-N420 PolarHBondContact O-N 2.88Å; L418-Y421 HydrophobicContact CD1-CD1 4.12Å; L418-Y421 PolarHBondContact O-N 3.38Å; L418-L422 HydrophobicContact CD1-CG 4.37Å; L418-L422 HydrophobicContact CG-CD1 4.18Å; L418-L422 HydrophobicContact CG-CG 4.43Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.4Å; L418-L422 PolarHBondContact O-N 3.13Å; L418-Y442 HydrophobicContact CB-CD2 3.76Å; L418-Y442 HydrophobicContact CB-CE2 3.71Å; L418-Y442 HydrophobicContact CD1-CD2 4.16Å; L418-Y442 HydrophobicContact CD1-CE2 3.81Å; L418-Y442 HydrophobicContact CD2-CE2 4.47Å; L418-Y442 HydrophobicContact CG-CE2 4.19Å
419	E	94.1	Very high	92.1	Very high	90 Å²	90	60.9 Å²	60.9	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-56.7	-44.2	176.1	-74.9	173.8	-165.8	0	0	111	R415 V416 L422 A423	R415-E419 WeakPolarHBondContact CG-OE1 3.48Å; R415-E419 IonicContact NH1-OE1 3.55Å; R415-E419 PolarHBondContact NH1-OE1 3.3Å; R415-E419 VanDerWaalsContact NH1-OE1 3.09Å; R415-E419 WeakPolarHBondContact O-CB 3.48Å; R415-E419 WeakPolarHBondContact O-CG 3.29Å; R415-E419 PolarHBondContact O-N 2.67Å; V416-E419 PolarHBondContact O-N 3.06Å; E419-L422 PolarHBondContact O-N 2.88Å; E419-A423 WeakPolarHBondContact O-CB 3.42Å; E419-A423 PolarHBondContact O-N 3.47Å
420	N	95.6	Very high	92.3	Very high	93 Å²	93	60.9 Å²	60.9	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-64.3	-40.9	176.6	-73.9	-24	0	0	0	112.9	V416 A417 L418 A423 A424	V416-N420 WeakPolarHBondContact O-CB 3.39Å; V416-N420 VanDerWaalsContact O-CG 3.29Å; V416-N420 PolarHBondContact O-N 3.33Å; V416-N420 PolarHBondContact O-ND2 3.44Å; A417-N420 PolarHBondContact O-N 3.31Å; L418-N420 VanDerWaalsContact C-N 3.29Å; L418-N420 PolarHBondContact O-N 2.88Å; N420-A423 PolarHBondContact O-N 3.26Å; N420-A424 PolarHBondContact O-N 3.38Å
421	Y	95.4	Very high	92.6	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-43.8	175.6	164	-111.3	0	0	0	112.2	A417 L418 A423 A424 L425 I435 L439 S489 L492 L493	A417-Y421 WeakPolarHBondContact O-CB 3.47Å; A417-Y421 PolarHBondContact O-N 3.49Å; L418-Y421 HydrophobicContact CD1-CD1 4.12Å; L418-Y421 PolarHBondContact O-N 3.38Å; Y421-A423 VanDerWaalsContact C-N 3.33Å; Y421-A423 PolarHBondContact O-N 2.91Å; Y421-A424 PolarHBondContact O-N 3.36Å; Y421-L425 HydrophobicContact CD1-CD1 4.19Å; Y421-L425 HydrophobicContact CD2-CD1 4.32Å; Y421-L425 HydrophobicContact CD2-CG 4.28Å; Y421-L425 HydrophobicContact CE1-CD1 3.62Å; Y421-L425 HydrophobicContact CE2-CD1 3.74Å; Y421-L425 HydrophobicContact CE2-CD2 4.24Å; Y421-L425 HydrophobicContact CE2-CG 3.88Å; Y421-L425 PolarHBondContact O-N 2.72Å; Y421-I435 HydrophobicContact CD2-CG2 4.5Å; Y421-I435 HydrophobicContact CE2-CG2 4.11Å; Y421-L439 HydrophobicContact CD2-CB 4Å; Y421-L439 HydrophobicContact CD2-CD1 4.29Å; Y421-L439 HydrophobicContact CE2-CB 4Å; Y421-L439 HydrophobicContact CE2-CD1 3.84Å; Y421-L439 HydrophobicContact CE2-CG 4.43Å; Y421-S489 WeakPolarHBondContact CE1-O 3.49Å; Y421-S489 PolarHBondContact OH-O 3.19Å; Y421-L492 HydrophobicContact CE1-CD1 4.4Å; Y421-L493 HydrophobicContact CE2-CD2 4.47Å; Y421-L493 HydrophobicContact CE2-CG 4.37Å; Y421-L493 WeakPolarHBondContact OH-CD1 3.29Å; Y421-L493 VanDerWaalsContact OH-CG 3.24Å; Y421-L493 WeakPolarHBondContact OH-CG 3.49Å
422	L	94.2	Very high	92.8	Very high	54 Å²	54	64.9 Å²	64.9	28%	0.283	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.6	-68.9	175.6	0	0	0	111.6	L418 E419 A424 L425 Q426 L492	L418-L422 HydrophobicContact CD1-CG 4.37Å; L418-L422 HydrophobicContact CG-CD1 4.18Å; L418-L422 HydrophobicContact CG-CG 4.43Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.4Å; L418-L422 PolarHBondContact O-N 3.13Å; E419-L422 PolarHBondContact O-N 2.88Å; L422-A424 VanDerWaalsContact C-N 3.32Å; L422-A424 PolarHBondContact O-N 3.24Å; L422-L425 PolarHBondContact O-N 2.98Å; L422-Q426 WeakPolarHBondContact O-CB 3.48Å; L422-Q426 VanDerWaalsContact O-CG 3.29Å; L422-Q426 WeakPolarHBondContact O-CG 3.38Å; L422-Q426 PolarHBondContact O-N 2.84Å; L422-L492 HydrophobicContact CD2-CD1 3.47Å; L422-L492 VanDerWaalsContact CD2-CD1 3.47Å
423	A	94.8	Very high	92.9	Very high	55 Å²	55	67 Å²	67	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-38.9	175.4	0	0	0	0	0	112	E419 N420 Y421 Q426 A427	E419-A423 WeakPolarHBondContact O-CB 3.42Å; E419-A423 PolarHBondContact O-N 3.47Å; N420-A423 PolarHBondContact O-N 3.26Å; Y421-A423 VanDerWaalsContact C-N 3.33Å; Y421-A423 PolarHBondContact O-N 2.91Å; A423-Q426 PolarHBondContact O-N 2.99Å; A423-A427 PolarHBondContact O-N 3.14Å; A423-A427 VanDerWaalsContact O-N 3.16Å
424	A	95.1	Very high	93.1	Very high	3 Å²	3	70.2 Å²	70.2	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-66.4	-38.7	175.2	0	0	0	0	0	112.4	N420 Y421 L422 R434 I435 A438	N420-A424 PolarHBondContact O-N 3.38Å; Y421-A424 PolarHBondContact O-N 3.36Å; L422-A424 VanDerWaalsContact C-N 3.32Å; L422-A424 PolarHBondContact O-N 3.24Å; A424-R434 HydrophobicContact CB-CG 4.22Å; A424-I435 HydrophobicContact CB-CG1 3.96Å; A424-I435 WeakPolarHBondContact O-CG1 3.36Å; A424-A438 HydrophobicContact CB-CB 4.18Å
425	L	92.5	Very high	93.2	Very high	17 Å²	17	68.2 Å²	68.2	9%	0.089	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-35.4	175.5	-76.8	175.6	0	0	0	113.1	Y421 L422 I435 L492 L493	Y421-L425 HydrophobicContact CD1-CD1 4.19Å; Y421-L425 HydrophobicContact CD2-CD1 4.32Å; Y421-L425 HydrophobicContact CD2-CG 4.28Å; Y421-L425 HydrophobicContact CE1-CD1 3.62Å; Y421-L425 HydrophobicContact CE2-CD1 3.74Å; Y421-L425 HydrophobicContact CE2-CD2 4.24Å; Y421-L425 HydrophobicContact CE2-CG 3.88Å; Y421-L425 PolarHBondContact O-N 2.72Å; L422-L425 PolarHBondContact O-N 2.98Å; L425-I435 HydrophobicContact CD2-CD1 4.16Å; L425-I435 HydrophobicContact CD2-CG1 4.32Å; L425-I435 HydrophobicContact CD2-CG2 3.75Å; L425-I435 HydrophobicContact CG-CG2 4.39Å; L425-L492 HydrophobicContact CD1-CB 3.91Å; L425-L493 HydrophobicContact CD2-CD2 3.92Å; L425-L493 HydrophobicContact CD2-CG 4.37Å
426	Q	92	Very high	93.3	Very high	155 Å²	155	63.1 Å²	63.1	72%	0.724	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.9	-178	-68.2	175.7	15.1	0	0	113.7	L422 A423	L422-Q426 WeakPolarHBondContact O-CB 3.48Å; L422-Q426 VanDerWaalsContact O-CG 3.29Å; L422-Q426 WeakPolarHBondContact O-CG 3.38Å; L422-Q426 PolarHBondContact O-N 2.84Å; A423-Q426 PolarHBondContact O-N 2.99Å
427	A	93	Very high	93.3	Very high	34 Å²	34	63.8 Å²	63.8	28%	0.281	33%	0.328	S	S	.	.	S	Bend	trans	-61	144.5	176.2	0	0	0	0	0	110.8	A423 P429 P430	A423-A427 PolarHBondContact O-N 3.14Å; A423-A427 VanDerWaalsContact O-N 3.16Å; A427-P429 CarbonylContact O-C 3.56Å; A427-P430 WeakPolarHBondContact O-CA 3.42Å; A427-P430 WeakPolarHBondContact O-CD 3.48Å; A427-P430 WeakPolarHBondContact O-CG 3.38Å
428	D	91	Very high	93.3	Very high	160 Å²	160	63.9 Å²	63.9	86%	0.856	33%	0.328	S	S	*	.	S	Bend	trans	-119.8	107.7	177.8	-171.2	14.5	0	0	0	110.3
429	P	88.5	Confident	93.3	Very high	91 Å²	91	61.7 Å²	61.7	59%	0.591	32%	0.317	S	S	*	.	S	Bend	cis	-78.9	150.5	-1.5	32.4	-34.7	0	0	0	112.9	A427 R431	A427-P429 CarbonylContact O-C 3.56Å; P429-R431 PolarHBondContact O-N 2.7Å
430	P	90.5	Very high	93.2	Very high	24 Å²	24	60.7 Å²	60.7	16%	0.156	31%	0.311	C	S	.	.			trans	-64.6	127.3	175	-10.2	15.9	0	0	0	111.3	A427 I435 V496 Y498 V499	A427-P430 WeakPolarHBondContact O-CA 3.42Å; A427-P430 WeakPolarHBondContact O-CD 3.48Å; A427-P430 WeakPolarHBondContact O-CG 3.38Å; P430-I435 HydrophobicContact CB-CD1 3.84Å; P430-V496 HydrophobicContact CB-CG1 4.31Å; P430-V496 HydrophobicContact CG-CG1 3.99Å; P430-Y498 WeakPolarHBondContact CB-OH 3.45Å; P430-Y498 WeakPolarHBondContact CD-OH 3.23Å; P430-Y498 HydrophobicContact CG-CE1 4.17Å; P430-Y498 WeakPolarHBondContact CG-OH 3.13Å; P430-Y498 PolarHBondContact O-OH 3.09Å; P430-V499 HydrophobicContact CB-CG2 4.15Å
431	R	93.4	Very high	93.1	Very high	121 Å²	121	61.6 Å²	61.6	46%	0.457	31%	0.311	S	S	.	.			trans	-99	113.1	-178.6	-63.5	-174.5	-175.7	-175.5	-1.5	110.7	D255 P429 H433 R434 I435	D255-R431 IonicContact OD1-NH1 2.66Å; D255-R431 PolarHBondContact OD1-NH1 3.49Å; D255-R431 VanDerWaalsContact OD1-NH1 3.1Å; P429-R431 PolarHBondContact O-N 2.7Å; R431-H433 PolarHBondContact O-N 3.37Å; R431-R434 HydrophobicContact CB-CB 4.13Å; R431-R434 PolarHBondContact O-N 3.4Å; R431-I435 WeakPolarHBondContact O-CG1 2.99Å; R431-I435 PolarHBondContact O-N 2.87Å; R431-I435 VanDerWaalsContact O-N 3.09Å
432	P	92.9	Very high	93	Very high	27 Å²	27	61.6 Å²	61.6	18%	0.175	31%	0.311	C	S	.	.	H	α-helix	trans	-53.6	-47.8	-176	-26.7	32.7	0	0	0	114.2	R434 I435 M436 V499 E502 L503	P432-R434 PolarHBondContact O-N 3.1Å; P432-I435 PolarHBondContact O-N 2.85Å; P432-M436 PolarHBondContact O-N 3.45Å; P432-V499 HydrophobicContact CB-CG1 4.29Å; P432-V499 HydrophobicContact CG-CG1 4.44Å; P432-V499 HydrophobicContact CG-CG2 4.45Å; P432-E502 VanDerWaalsContact CG-OE2 3.25Å; P432-E502 WeakPolarHBondContact CG-OE2 3.43Å; P432-L503 HydrophobicContact CB-CD1 4.48Å; P432-L503 HydrophobicContact CB-CD2 3.89Å; P432-L503 HydrophobicContact CB-CG 4.24Å
433	H	92.4	Very high	92.9	Very high	128 Å²	128	59 Å²	59	59%	0.593	30%	0.298	S	S	*	.	H	α-helix	trans	-58.9	-45	-179.7	-176.2	-105.1	0	0	0	113	R431 M436 Q437	R431-H433 PolarHBondContact O-N 3.37Å; H433-M436 PolarHBondContact O-N 2.92Å; H433-Q437 PolarHBondContact CE1-NE2 2.9Å; H433-Q437 WeakPolarHBondContact O-CG 3.46Å; H433-Q437 PolarHBondContact O-N 3.24Å
434	R	93.8	Very high	92.7	Very high	144 Å²	144	63.5 Å²	63.5	54%	0.543	30%	0.302	S	S	.	.	H	α-helix	trans	-67.5	-37.7	179.2	-173.1	176.3	175.4	163.5	0.4	111.8	A424 R431 P432 A438	A424-R434 HydrophobicContact CB-CG 4.22Å; R431-R434 HydrophobicContact CB-CB 4.13Å; R431-R434 PolarHBondContact O-N 3.4Å; P432-R434 PolarHBondContact O-N 3.1Å; R434-A438 WeakPolarHBondContact O-CB 3.47Å; R434-A438 PolarHBondContact O-N 2.99Å
435	I	94	Very high	92.5	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-45.7	175.3	-68.4	163.3	0	0	0	110	Y421 A424 L425 P430 R431 P432 A438 L439 L493 V499 L503	Y421-I435 HydrophobicContact CD2-CG2 4.5Å; Y421-I435 HydrophobicContact CE2-CG2 4.11Å; A424-I435 HydrophobicContact CB-CG1 3.96Å; A424-I435 WeakPolarHBondContact O-CG1 3.36Å; L425-I435 HydrophobicContact CD2-CD1 4.16Å; L425-I435 HydrophobicContact CD2-CG1 4.32Å; L425-I435 HydrophobicContact CD2-CG2 3.75Å; L425-I435 HydrophobicContact CG-CG2 4.39Å; P430-I435 HydrophobicContact CB-CD1 3.84Å; R431-I435 WeakPolarHBondContact O-CG1 2.99Å; R431-I435 PolarHBondContact O-N 2.87Å; R431-I435 VanDerWaalsContact O-N 3.09Å; P432-I435 PolarHBondContact O-N 2.85Å; I435-A438 PolarHBondContact O-N 3.35Å; I435-L439 VanDerWaalsContact O-CB 3.29Å; I435-L439 WeakPolarHBondContact O-CB 3.28Å; I435-L439 PolarHBondContact O-N 2.96Å; I435-L493 HydrophobicContact CG2-CD2 3.6Å; I435-V499 HydrophobicContact CD1-CG1 3.83Å; I435-V499 HydrophobicContact CD1-CG2 4.26Å; I435-L503 HydrophobicContact CB-CD1 4.23Å; I435-L503 HydrophobicContact CG2-CD1 3.93Å
436	M	93.3	Very high	92.4	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-44	177.6	179.1	55.4	68.3	0	0	112.6	P432 H433 L439 K440 L503 E506 I507	P432-M436 PolarHBondContact O-N 3.45Å; H433-M436 PolarHBondContact O-N 2.92Å; M436-L439 PolarHBondContact O-N 3.38Å; M436-K440 HydrophobicContact CG-CD 4.13Å; M436-K440 WeakPolarHBondContact O-CB 3.33Å; M436-K440 WeakPolarHBondContact O-CG 3.49Å; M436-K440 PolarHBondContact O-N 3.02Å; M436-K440 HydrophobicContact SD-CD 4.19Å; M436-K440 VanDerWaalsContact SD-CE 3.6Å; M436-K440 HydrophobicContact SD-CG 4.16Å; M436-L503 HydrophobicContact CB-CD1 4.27Å; M436-L503 HydrophobicContact CB-CD2 4.11Å; M436-L503 HydrophobicContact CE-CB 3.86Å; M436-L503 HydrophobicContact CE-CD1 4.23Å; M436-L503 HydrophobicContact CE-CD2 3.93Å; M436-L503 HydrophobicContact CE-CG 4.22Å; M436-E506 HydrophobicContact CE-CB 3.34Å; M436-E506 HydrophobicContact CE-CG 4.37Å; M436-E506 WeakPolarHBondContact CG-OE2 3.45Å; M436-E506 HydrophobicContact SD-CB 4.27Å; M436-I507 HydrophobicContact CE-CG1 3.78Å
437	Q	93.9	Very high	92.1	Very high	83 Å²	83	56.6 Å²	56.6	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-45.9	175.8	-75.1	179.9	-23.3	0	0	112.1	H433 L439 K440 K441	H433-Q437 PolarHBondContact CE1-NE2 2.9Å; H433-Q437 WeakPolarHBondContact O-CG 3.46Å; H433-Q437 PolarHBondContact O-N 3.24Å; Q437-L439 VanDerWaalsContact C-N 3.33Å; Q437-L439 PolarHBondContact O-N 3.06Å; Q437-K440 PolarHBondContact O-N 3.43Å; Q437-K441 PolarHBondContact O-N 2.92Å
438	A	94.9	Very high	91.8	Very high	13 Å²	13	59.7 Å²	59.7	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-38.3	178.1	0	0	0	0	0	111.8	A424 R434 I435 K441 Y442	A424-A438 HydrophobicContact CB-CB 4.18Å; R434-A438 WeakPolarHBondContact O-CB 3.47Å; R434-A438 PolarHBondContact O-N 2.99Å; I435-A438 PolarHBondContact O-N 3.35Å; A438-K441 PolarHBondContact O-N 3.49Å; A438-Y442 PolarHBondContact O-N 3.28Å
439	L	93.3	Very high	91.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-46.6	174.1	-178.6	66.7	0	0	0	111.6	Y421 I435 M436 Q437 K441 Y442 V443 L490 L493 I507	Y421-L439 HydrophobicContact CD2-CB 4Å; Y421-L439 HydrophobicContact CD2-CD1 4.29Å; Y421-L439 HydrophobicContact CE2-CB 4Å; Y421-L439 HydrophobicContact CE2-CD1 3.84Å; Y421-L439 HydrophobicContact CE2-CG 4.43Å; I435-L439 VanDerWaalsContact O-CB 3.29Å; I435-L439 WeakPolarHBondContact O-CB 3.28Å; I435-L439 PolarHBondContact O-N 2.96Å; M436-L439 PolarHBondContact O-N 3.38Å; Q437-L439 VanDerWaalsContact C-N 3.33Å; Q437-L439 PolarHBondContact O-N 3.06Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.98Å; L439-Y442 PolarHBondContact O-N 2.92Å; L439-V443 HydrophobicContact CD1-CG2 3.84Å; L439-V443 HydrophobicContact CG-CG2 4.1Å; L439-V443 WeakPolarHBondContact O-CB 3.36Å; L439-V443 VanDerWaalsContact O-CG2 3.25Å; L439-V443 WeakPolarHBondContact O-CG2 3.37Å; L439-V443 PolarHBondContact O-N 3.28Å; L439-L490 HydrophobicContact CD1-CD2 3.73Å; L439-L490 HydrophobicContact CD2-CD2 4.01Å; L439-L490 HydrophobicContact CG-CD2 4.36Å; L439-L493 HydrophobicContact CD2-CD1 3.86Å; L439-I507 HydrophobicContact CD2-CD1 4.43Å; L439-I507 HydrophobicContact CD2-CG1 3.91Å
440	K	92.4	Very high	91.6	Very high	69 Å²	69	49.8 Å²	49.8	30%	0.3	22%	0.219	S	C	.	.	H	α-helix	trans	-54.4	-46.6	174.5	-80.6	170.2	179.5	169.4	0	111.1	M436 Q437 V443 R444 E506 L510	M436-K440 HydrophobicContact CG-CD 4.13Å; M436-K440 WeakPolarHBondContact O-CB 3.33Å; M436-K440 WeakPolarHBondContact O-CG 3.49Å; M436-K440 PolarHBondContact O-N 3.02Å; M436-K440 HydrophobicContact SD-CD 4.19Å; M436-K440 VanDerWaalsContact SD-CE 3.6Å; M436-K440 HydrophobicContact SD-CG 4.16Å; Q437-K440 PolarHBondContact O-N 3.43Å; K440-V443 PolarHBondContact O-N 3.06Å; K440-R444 WeakPolarHBondContact O-CB 3.47Å; K440-R444 VanDerWaalsContact O-CG 3.26Å; K440-R444 WeakPolarHBondContact O-CG 3.31Å; K440-R444 PolarHBondContact O-N 3.11Å; K440-E506 IonicContact NZ-OE2 2.73Å; K440-L510 HydrophobicContact CB-CD1 4.35Å; K440-L510 HydrophobicContact CD-CD1 4.44Å; K440-L510 HydrophobicContact CG-CD1 3.45Å; K440-L510 VanDerWaalsContact CG-CD1 3.45Å
441	K	93.6	Very high	91.3	Very high	111 Å²	111	51.4 Å²	51.4	48%	0.483	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-45.3	176.6	-71.4	-172.3	179.7	-167.3	0	112.3	Q437 A438 L439 R444 A445	Q437-K441 PolarHBondContact O-N 2.92Å; A438-K441 PolarHBondContact O-N 3.49Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.98Å; K441-R444 PolarHBondContact O-N 2.89Å; K441-A445 PolarHBondContact O-N 3.42Å; K441-A445 VanDerWaalsContact O-N 3.08Å
442	Y	94.3	Very high	90.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-47.5	177.3	172.7	-105.6	0	0	0	112.5	R414 A417 L418 A438 L439 R444 A445 E446 S489	R414-Y442 HydrophobicContact CG-CE2 3.93Å; A417-Y442 HydrophobicContact CB-CD2 4.35Å; L418-Y442 HydrophobicContact CB-CD2 3.76Å; L418-Y442 HydrophobicContact CB-CE2 3.71Å; L418-Y442 HydrophobicContact CD1-CD2 4.16Å; L418-Y442 HydrophobicContact CD1-CE2 3.81Å; L418-Y442 HydrophobicContact CD2-CE2 4.47Å; L418-Y442 HydrophobicContact CG-CE2 4.19Å; A438-Y442 PolarHBondContact O-N 3.28Å; L439-Y442 PolarHBondContact O-N 2.92Å; Y442-R444 VanDerWaalsContact C-N 3.31Å; Y442-R444 PolarHBondContact O-N 3.41Å; Y442-A445 WeakPolarHBondContact O-CB 3.23Å; Y442-A445 PolarHBondContact O-N 3Å; Y442-E446 HydrophobicContact CE1-CG 4.01Å; Y442-E446 HydrophobicContact CE2-CG 4.06Å; Y442-E446 PolarHBondContact O-N 3.02Å; Y442-E446 PolarHBondContact OH-OE1 3.42Å; Y442-S489 VanDerWaalsContact CE1-CB 3.43Å; Y442-S489 PolarHBondContact OH-OG 3.48Å
443	V	91.4	Very high	90.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-33.6	-177.8	172.1	0	0	0	0	111.3	L439 K440 N447 M486 L510 Q514	L439-V443 HydrophobicContact CD1-CG2 3.84Å; L439-V443 HydrophobicContact CG-CG2 4.1Å; L439-V443 WeakPolarHBondContact O-CB 3.36Å; L439-V443 VanDerWaalsContact O-CG2 3.25Å; L439-V443 WeakPolarHBondContact O-CG2 3.37Å; L439-V443 PolarHBondContact O-N 3.28Å; K440-V443 PolarHBondContact O-N 3.06Å; V443-N447 WeakPolarHBondContact O-CB 3.48Å; V443-N447 PolarHBondContact O-N 3.01Å; V443-M486 HydrophobicContact CG1-SD 4.31Å; V443-L510 HydrophobicContact CB-CD2 4.01Å; V443-L510 HydrophobicContact CG1-CD2 3.59Å; V443-L510 HydrophobicContact CG1-CG 4.31Å; V443-L510 HydrophobicContact CG2-CD2 3.97Å; V443-Q514 VanDerWaalsContact CG1-CD 3.48Å; V443-Q514 HydrophobicContact CG1-CG 4.26Å; V443-Q514 PolarHBondContact O-NE2 3.21Å
444	R	89.9	Confident	90.2	Very high	148 Å²	148	41.7 Å²	41.7	56%	0.558	18%	0.184	S	C	*	.	H	α-helix	trans	-64.1	-41.6	168.6	-73.9	176.9	-166.6	171.3	2.9	112.6	K440 K441 Y442 N447 K448	K440-R444 WeakPolarHBondContact O-CB 3.47Å; K440-R444 VanDerWaalsContact O-CG 3.26Å; K440-R444 WeakPolarHBondContact O-CG 3.31Å; K440-R444 PolarHBondContact O-N 3.11Å; K441-R444 PolarHBondContact O-N 2.89Å; Y442-R444 VanDerWaalsContact C-N 3.31Å; Y442-R444 PolarHBondContact O-N 3.41Å; R444-N447 PolarHBondContact O-N 3.24Å; R444-K448 PolarHBondContact O-N 3.21Å
445	A	91.6	Very high	89.7	Confident	14 Å²	14	39.7 Å²	39.7	12%	0.116	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-44.4	178.4	0	0	0	0	0	111.9	A417 K441 Y442 N447 K448 D449	A417-A445 HydrophobicContact CB-CB 4.4Å; K441-A445 PolarHBondContact O-N 3.42Å; K441-A445 VanDerWaalsContact O-N 3.08Å; Y442-A445 WeakPolarHBondContact O-CB 3.23Å; Y442-A445 PolarHBondContact O-N 3Å; A445-N447 VanDerWaalsContact C-N 3.34Å; A445-N447 PolarHBondContact O-N 3.19Å; A445-K448 PolarHBondContact O-N 3.18Å; A445-D449 PolarHBondContact O-N 2.92Å
446	E	89.9	Confident	89.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-41.9	173.3	-72	-70.8	-171.6	0	0	112.1	R414 Y442 K448 D449 R450 I482 R485	R414-E446 WeakPolarHBondContact CD-OE1 3.36Å; Y442-E446 HydrophobicContact CE1-CG 4.01Å; Y442-E446 HydrophobicContact CE2-CG 4.06Å; Y442-E446 PolarHBondContact O-N 3.02Å; Y442-E446 PolarHBondContact OH-OE1 3.42Å; E446-K448 VanDerWaalsContact C-N 3.3Å; E446-K448 PolarHBondContact O-N 2.94Å; E446-D449 WeakPolarHBondContact O-CB 3.47Å; E446-D449 PolarHBondContact O-N 2.84Å; E446-R450 PolarHBondContact O-N 3.07Å; E446-I482 HydrophobicContact CB-CG2 4.42Å; E446-R485 IonicContact OE1-CZ 3.69Å; E446-R485 IonicContact OE1-NE 2.66Å; E446-R485 PolarHBondContact OE1-NE 2.99Å; E446-R485 IonicContact OE1-NH2 2.85Å; E446-R485 PolarHBondContact OE1-NH2 3.34Å; E446-R485 IonicContact OE2-CZ 2.73Å; E446-R485 IonicContact OE2-NE 3.61Å; E446-R485 IonicContact OE2-NH2 3.77Å; E446-R485 PolarHBondContact OE2-NH2 2.93Å
447	N	86.8	Confident	88.8	Confident	17 Å²	17	43.3 Å²	43.3	9%	0.091	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-36.1	177.9	-112.8	12.9	0	0	0	113.2	V443 R444 A445 D449 R450 Q451 Q514	V443-N447 WeakPolarHBondContact O-CB 3.48Å; V443-N447 PolarHBondContact O-N 3.01Å; R444-N447 PolarHBondContact O-N 3.24Å; A445-N447 VanDerWaalsContact C-N 3.34Å; A445-N447 PolarHBondContact O-N 3.19Å; N447-D449 VanDerWaalsContact C-N 3.32Å; N447-R450 WeakPolarHBondContact O-CB 3.42Å; N447-R450 PolarHBondContact O-N 3.21Å; N447-R450 PolarHBondContact OD1-NE 3.17Å; N447-R450 VanDerWaalsContact OD1-NE 3.1Å; N447-R450 PolarHBondContact OD1-NH2 3.21Å; N447-Q451 WeakPolarHBondContact O-CB 3.33Å; N447-Q451 VanDerWaalsContact O-CG 3.28Å; N447-Q451 WeakPolarHBondContact O-CG 3.35Å; N447-Q451 PolarHBondContact O-N 3.16Å; N447-Q514 PolarHBondContact ND2-NE2 3.02Å; N447-Q514 PolarHBondContact OD1-NE2 3.37Å; N447-Q514 PolarHBondContact OD1-OE1 2.75Å
448	K	86.4	Confident	88.4	Confident	99 Å²	99	42.4 Å²	42.4	43%	0.43	19%	0.188	S	C	.	.	H	α-helix	trans	-64.1	-40.4	176.7	-158.9	168.7	-171.6	156.9	0	111	L410 R444 A445 E446 H452	L410-K448 HydrophobicContact CD2-CB 4.03Å; L410-K448 HydrophobicContact CD2-CD 4.17Å; L410-K448 HydrophobicContact CD2-CG 3.84Å; R444-K448 PolarHBondContact O-N 3.21Å; A445-K448 PolarHBondContact O-N 3.18Å; E446-K448 VanDerWaalsContact C-N 3.3Å; E446-K448 PolarHBondContact O-N 2.94Å; K448-H452 VanDerWaalsContact O-CB 3.27Å; K448-H452 WeakPolarHBondContact O-CB 3.23Å; K448-H452 PolarHBondContact O-N 3.5Å
449	D	87.3	Confident	87.7	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.043	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-45.7	174.4	-171.2	17	0	0	0	112	R414 A445 E446 N447 Q451 H452 T453 H478 I482 R485	R414-D449 IonicContact NH1-OD2 3.06Å; A445-D449 PolarHBondContact O-N 2.92Å; E446-D449 WeakPolarHBondContact O-CB 3.47Å; E446-D449 PolarHBondContact O-N 2.84Å; N447-D449 VanDerWaalsContact C-N 3.32Å; D449-Q451 PolarHBondContact O-N 3.08Å; D449-H452 PolarHBondContact O-N 3.38Å; D449-T453 WeakPolarHBondContact O-CB 3.38Å; D449-T453 PolarHBondContact O-N 3.4Å; D449-T453 PolarHBondContact O-OG1 3.19Å; D449-H478 IonicContact OD1-CE1 3.62Å; D449-H478 PolarHBondContact OD1-CE1 3.35Å; D449-H478 IonicContact OD2-CE1 2.72Å; D449-H478 IonicContact OD2-NE2 3.14Å; D449-I482 HydrophobicContact CB-CD1 4.38Å; D449-R485 IonicContact OD2-NH2 3.72Å
450	R	86.6	Confident	87.2	Confident	34 Å²	34	44 Å²	44	13%	0.128	19%	0.194	C	C	.	.	H	α-helix	trans	-54.7	-55.6	173.8	-170.3	177.5	69	166.9	5	110.8	E446 N447 H452 T453 V454 L479 I482 Q514	E446-R450 PolarHBondContact O-N 3.07Å; N447-R450 WeakPolarHBondContact O-CB 3.42Å; N447-R450 PolarHBondContact O-N 3.21Å; N447-R450 PolarHBondContact OD1-NE 3.17Å; N447-R450 VanDerWaalsContact OD1-NE 3.1Å; N447-R450 PolarHBondContact OD1-NH2 3.21Å; R450-H452 PolarHBondContact O-N 3.07Å; R450-T453 PolarHBondContact O-N 3.26Å; R450-V454 VanDerWaalsContact O-CB 3.23Å; R450-V454 WeakPolarHBondContact O-CB 3.33Å; R450-V454 WeakPolarHBondContact O-CG2 3.48Å; R450-V454 PolarHBondContact O-N 3.04Å; R450-V454 VanDerWaalsContact O-N 3.11Å; R450-L479 HydrophobicContact CG-CD2 3.82Å; R450-I482 HydrophobicContact CB-CD1 4.28Å; R450-I482 HydrophobicContact CB-CG2 4.29Å; R450-Q514 PolarHBondContact NH1-O 2.85Å; R450-Q514 PolarHBondContact NH2-O 3.36Å
451	Q	84.3	Confident	86.9	Confident	58 Å²	58	43.2 Å²	43.2	27%	0.271	19%	0.193	S	C	.	.	H	α-helix	trans	-63.4	-38.6	-178.9	-71.3	-179.3	8.5	0	0	112.6	N447 D449 V454 R455	N447-Q451 WeakPolarHBondContact O-CB 3.33Å; N447-Q451 VanDerWaalsContact O-CG 3.28Å; N447-Q451 WeakPolarHBondContact O-CG 3.35Å; N447-Q451 PolarHBondContact O-N 3.16Å; D449-Q451 PolarHBondContact O-N 3.08Å; Q451-V454 WeakPolarHBondContact O-CB 3.32Å; Q451-V454 WeakPolarHBondContact O-CG1 3.47Å; Q451-V454 PolarHBondContact O-N 2.91Å; Q451-R455 WeakPolarHBondContact O-CB 3.33Å; Q451-R455 WeakPolarHBondContact O-CG 3.34Å; Q451-R455 PolarHBondContact O-N 3.44Å
452	H	84.3	Confident	86.4	Confident	46 Å²	46	41.7 Å²	41.7	21%	0.213	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-48.8	177.4	174	-100.8	0	0	0	111.5	V406 L410 K448 D449 R450 V454 R455 H456	V406-H452 WeakPolarHBondContact CG1-NE2 3.37Å; L410-H452 HydrophobicContact CD1-CB 3.93Å; K448-H452 VanDerWaalsContact O-CB 3.27Å; K448-H452 WeakPolarHBondContact O-CB 3.23Å; K448-H452 PolarHBondContact O-N 3.5Å; D449-H452 PolarHBondContact O-N 3.38Å; R450-H452 PolarHBondContact O-N 3.07Å; H452-V454 PolarHBondContact O-N 2.92Å; H452-R455 PolarHBondContact O-N 3.46Å; H452-H456 WeakPolarHBondContact O-CB 3.33Å; H452-H456 PolarHBondContact O-N 3.26Å
453	T	86.8	Confident	85.8	Confident	15 Å²	15	45.7 Å²	45.7	9%	0.092	23%	0.225	C	C	.	.	H	α-helix	trans	-54.7	-44.5	176.3	-62.2	0	0	0	0	111.5	D449 R450 Y457 V475 H478 L479	D449-T453 WeakPolarHBondContact O-CB 3.38Å; D449-T453 PolarHBondContact O-N 3.4Å; D449-T453 PolarHBondContact O-OG1 3.19Å; R450-T453 PolarHBondContact O-N 3.26Å; T453-Y457 PolarHBondContact O-N 3.49Å; T453-V475 HydrophobicContact CG2-CG1 4.05Å; T453-H478 HydrophobicContact CG2-CB 4.46Å; T453-H478 PolarHBondContact OG1-CE1 3.3Å; T453-H478 VanDerWaalsContact OG1-CE1 3.28Å; T453-H478 PolarHBondContact OG1-ND1 3.26Å; T453-L479 HydrophobicContact CG2-CD2 4.11Å; T453-L479 HydrophobicContact CG2-CG 4.39Å
454	V	84.8	Confident	85.3	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-53.5	-179.8	128.9	0	0	0	0	112.4	R450 Q451 H452 H456 Y457 Q458 L479 F521	R450-V454 VanDerWaalsContact O-CB 3.23Å; R450-V454 WeakPolarHBondContact O-CB 3.33Å; R450-V454 WeakPolarHBondContact O-CG2 3.48Å; R450-V454 PolarHBondContact O-N 3.04Å; R450-V454 VanDerWaalsContact O-N 3.11Å; Q451-V454 WeakPolarHBondContact O-CB 3.32Å; Q451-V454 WeakPolarHBondContact O-CG1 3.47Å; Q451-V454 PolarHBondContact O-N 2.91Å; H452-V454 PolarHBondContact O-N 2.92Å; V454-H456 VanDerWaalsContact C-N 3.33Å; V454-H456 PolarHBondContact O-N 2.94Å; V454-Y457 PolarHBondContact O-N 3.41Å; V454-Q458 PolarHBondContact O-N 3.46Å; V454-L479 HydrophobicContact CG2-CD1 4.26Å; V454-L479 HydrophobicContact CG2-CD2 3.95Å; V454-F521 HydrophobicContact CB-CD1 4.34Å; V454-F521 HydrophobicContact CB-CE1 3.67Å; V454-F521 HydrophobicContact CB-CE2 3.87Å; V454-F521 HydrophobicContact CB-CZ 3.36Å; V454-F521 HydrophobicContact CG1-CD1 3.92Å; V454-F521 HydrophobicContact CG1-CD2 3.36Å; V454-F521 HydrophobicContact CG1-CE1 3.52Å; V454-F521 HydrophobicContact CG1-CE2 2.88Å; V454-F521 HydrophobicContact CG1-CG 3.82Å; V454-F521 HydrophobicContact CG1-CZ 2.94Å; V454-F521 HydrophobicContact CG2-CD1 3.71Å; V454-F521 HydrophobicContact CG2-CE1 3.1Å; V454-F521 HydrophobicContact CG2-CE2 4.24Å; V454-F521 HydrophobicContact CG2-CG 4.45Å; V454-F521 HydrophobicContact CG2-CZ 3.39Å
455	R	83.4	Confident	85.2	Confident	103 Å²	103	45.5 Å²	45.5	39%	0.389	24%	0.24	S	C	.	.	H	α-helix	trans	-65.3	-39	-179.7	-71.7	-179.7	-173.5	113.5	2.9	110.9	Q451 H452 Y457 Q458 H459	Q451-R455 WeakPolarHBondContact O-CB 3.33Å; Q451-R455 WeakPolarHBondContact O-CG 3.34Å; Q451-R455 PolarHBondContact O-N 3.44Å; H452-R455 PolarHBondContact O-N 3.46Å; R455-Y457 VanDerWaalsContact C-N 3.33Å; R455-Y457 PolarHBondContact O-N 2.86Å; R455-Q458 PolarHBondContact O-N 3.32Å; R455-H459 PolarHBondContact O-N 3.24Å
456	H	83.9	Confident	84.9	Confident	59 Å²	59	52 Å²	52	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-45.6	174.1	-179.1	67.5	0	0	0	111.4	H452 V454 H459 V460	H452-H456 WeakPolarHBondContact O-CB 3.33Å; H452-H456 PolarHBondContact O-N 3.26Å; V454-H456 VanDerWaalsContact C-N 3.33Å; V454-H456 PolarHBondContact O-N 2.94Å; H456-H459 PolarHBondContact O-N 3.25Å; H456-V460 WeakPolarHBondContact O-CG2 3.36Å; H456-V460 PolarHBondContact O-N 3.19Å
457	Y	84.9	Confident	84.6	Confident	20 Å²	20	56.9 Å²	56.9	8%	0.078	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-44.7	177.2	-177.1	-109	0	0	0	112.8	T453 V454 R455 H459 V460 L461 A468 K472 V475	T453-Y457 PolarHBondContact O-N 3.49Å; V454-Y457 PolarHBondContact O-N 3.41Å; R455-Y457 VanDerWaalsContact C-N 3.33Å; R455-Y457 PolarHBondContact O-N 2.86Å; Y457-H459 VanDerWaalsContact C-N 3.32Å; Y457-H459 PolarHBondContact O-N 2.94Å; Y457-V460 PolarHBondContact O-N 2.7Å; Y457-L461 WeakPolarHBondContact O-CB 3.33Å; Y457-L461 PolarHBondContact O-N 3Å; Y457-A468 HydrophobicContact CE2-CB 4.14Å; Y457-A468 VanDerWaalsContact CE2-O 3.29Å; Y457-A468 WeakPolarHBondContact CE2-O 3.47Å; Y457-A468 PolarHBondContact OH-O 2.83Å; Y457-K472 HydrophobicContact CE2-CB 4.22Å; Y457-K472 WeakPolarHBondContact OH-CB 3.31Å; Y457-K472 WeakPolarHBondContact OH-CG 3.5Å; Y457-V475 HydrophobicContact CD2-CB 4.26Å; Y457-V475 HydrophobicContact CD2-CG1 4.32Å; Y457-V475 HydrophobicContact CD2-CG2 3.74Å; Y457-V475 HydrophobicContact CE2-CG2 4.49Å; Y457-V475 HydrophobicContact CG-CG1 4.08Å; Y457-V475 HydrophobicContact CG-CG2 4.2Å
458	Q	84.9	Confident	84.4	Confident	64 Å²	64	56 Å²	56	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-43.2	176.3	-77.4	-175.6	-34.8	0	0	112.3	V454 R455 L461 A462 F521 S524 I525	V454-Q458 PolarHBondContact O-N 3.46Å; R455-Q458 PolarHBondContact O-N 3.32Å; Q458-L461 WeakPolarHBondContact O-CB 3.27Å; Q458-L461 PolarHBondContact O-N 2.89Å; Q458-A462 PolarHBondContact O-N 3.38Å; Q458-F521 HydrophobicContact CG-CE2 3.92Å; Q458-F521 HydrophobicContact CG-CZ 4.04Å; Q458-S524 PolarHBondContact NE2-OG 3.47Å; Q458-S524 VanDerWaalsContact NE2-OG 3.1Å; Q458-I525 HydrophobicContact CG-CD1 4.46Å; Q458-I525 HydrophobicContact CG-CG1 4.16Å
459	H	80.8	Confident	84.4	Confident	35 Å²	35	54.7 Å²	54.7	16%	0.162	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-50.1	175.4	168.5	47.4	0	0	0	111.6	Y272 R455 H456 Y457 L461 A462 V463	Y272-H459 WeakPolarHBondContact CB-ND1 3.34Å; Y272-H459 AromaticContact CD1-CE1 2.93Å; Y272-H459 WeakPolarHBondContact CD1-CE1 3.49Å; Y272-H459 AromaticContact CD1-ND1 3.34Å; Y272-H459 VanDerWaalsContact CD1-ND1 3.34Å; Y272-H459 WeakPolarHBondContact CD1-ND1 3.08Å; Y272-H459 AromaticContact CD1-NE2 3.48Å; Y272-H459 WeakPolarHBondContact CD1-NE2 3.15Å; Y272-H459 HydrophobicContact CD2-CB 3.52Å; Y272-H459 AromaticContact CD2-CD2 3.78Å; Y272-H459 AromaticContact CD2-CE1 3.54Å; Y272-H459 AromaticContact CD2-CG 3.13Å; Y272-H459 AromaticContact CD2-ND1 3.01Å; Y272-H459 WeakPolarHBondContact CD2-ND1 3.4Å; Y272-H459 AromaticContact CE1-CD2 3.75Å; Y272-H459 AromaticContact CE1-CE1 3.22Å; Y272-H459 WeakPolarHBondContact CE1-CE1 3.21Å; Y272-H459 AromaticContact CE1-ND1 3.79Å; Y272-H459 AromaticContact CE1-NE2 3.2Å; Y272-H459 WeakPolarHBondContact CE1-NE2 3.21Å; Y272-H459 HydrophobicContact CE2-CB 3.6Å; Y272-H459 AromaticContact CE2-CD2 3.39Å; Y272-H459 WeakPolarHBondContact CE2-CD2 3.42Å; Y272-H459 AromaticContact CE2-CE1 3.8Å; Y272-H459 AromaticContact CE2-CG 3.17Å; Y272-H459 AromaticContact CE2-ND1 3.51Å; Y272-H459 AromaticContact CE2-NE2 3.77Å; Y272-H459 HydrophobicContact CG-CB 4.32Å; Y272-H459 AromaticContact CG-CE1 3.07Å; Y272-H459 AromaticContact CG-CG 3.54Å; Y272-H459 AromaticContact CG-ND1 2.88Å; Y272-H459 AromaticContact CG-NE2 3.84Å; Y272-H459 AromaticContact CZ-CD2 3.34Å; Y272-H459 AromaticContact CZ-CE1 3.63Å; Y272-H459 AromaticContact CZ-CG 3.63Å; Y272-H459 AromaticContact CZ-ND1 3.84Å; Y272-H459 AromaticContact CZ-NE2 3.34Å; Y272-H459 VanDerWaalsContact CZ-NE2 3.34Å; R455-H459 PolarHBondContact O-N 3.24Å; H456-H459 PolarHBondContact O-N 3.25Å; Y457-H459 VanDerWaalsContact C-N 3.32Å; Y457-H459 PolarHBondContact O-N 2.94Å; H459-L461 PolarHBondContact O-N 3.45Å; H459-A462 WeakPolarHBondContact O-CB 3.18Å; H459-A462 PolarHBondContact O-N 3.43Å; H459-V463 WeakPolarHBondContact CE1-CG2 3.28Å; H459-V463 PolarHBondContact O-N 3.32Å
460	V	83.7	Confident	84.4	Confident	11 Å²	11	61.3 Å²	61.3	7%	0.067	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-33	-178.6	-178.4	0	0	0	0	110.7	H456 Y457 A462 V463 D464 K467 A468 M471	H456-V460 WeakPolarHBondContact O-CG2 3.36Å; H456-V460 PolarHBondContact O-N 3.19Å; Y457-V460 PolarHBondContact O-N 2.7Å; V460-A462 VanDerWaalsContact C-N 3.3Å; V460-A462 PolarHBondContact O-N 3.04Å; V460-V463 PolarHBondContact O-N 3.5Å; V460-D464 HydrophobicContact CG1-CB 4.47Å; V460-D464 CarbonylContact O-C 3.59Å; V460-D464 WeakPolarHBondContact O-CA 3.32Å; V460-D464 PolarHBondContact O-N 2.95Å; V460-K467 HydrophobicContact CG1-CB 4.1Å; V460-K467 HydrophobicContact CG1-CD 4.07Å; V460-K467 HydrophobicContact CG1-CG 4.02Å; V460-A468 HydrophobicContact CG1-CB 4.23Å; V460-M471 HydrophobicContact CB-CE 3.52Å; V460-M471 HydrophobicContact CG1-CE 3.24Å; V460-M471 HydrophobicContact CG2-CE 3.82Å
461	L	84.7	Confident	84.1	Confident	53 Å²	53	61.3 Å²	61.3	28%	0.277	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-37.9	172.3	-173	66.6	0	0	0	112.6	Y457 Q458 H459 A468	Y457-L461 WeakPolarHBondContact O-CB 3.33Å; Y457-L461 PolarHBondContact O-N 3Å; Q458-L461 WeakPolarHBondContact O-CB 3.27Å; Q458-L461 PolarHBondContact O-N 2.89Å; H459-L461 PolarHBondContact O-N 3.45Å; L461-A468 HydrophobicContact CB-CB 3.98Å; L461-A468 HydrophobicContact CD1-CB 3.74Å
462	A	83.6	Confident	84.1	Confident	80 Å²	80	63.9 Å²	63.9	66%	0.661	34%	0.335	S	S	*	.	H	α-helix	trans	-72.2	-36.2	178.2	0	0	0	0	0	113.1	Q458 H459 V460	Q458-A462 PolarHBondContact O-N 3.38Å; H459-A462 WeakPolarHBondContact O-CB 3.18Å; H459-A462 PolarHBondContact O-N 3.43Å; V460-A462 VanDerWaalsContact C-N 3.3Å; V460-A462 PolarHBondContact O-N 3.04Å
463	V	82.3	Confident	84	Confident	83 Å²	83	65.7 Å²	65.7	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-93.5	-38.3	-175.7	175.2	0	0	0	0	113.4	H459 V460	H459-V463 WeakPolarHBondContact CE1-CG2 3.28Å; H459-V463 PolarHBondContact O-N 3.32Å; V460-V463 PolarHBondContact O-N 3.5Å
464	D	80.3	Confident	83.9	Confident	63 Å²	63	71.9 Å²	71.9	34%	0.337	38%	0.38	S	S	.	.			trans	-144.8	87.7	-176.1	-173.1	-16.8	0	0	0	110.9	V460 E466 K467 A468	V460-D464 HydrophobicContact CG1-CB 4.47Å; V460-D464 CarbonylContact O-C 3.59Å; V460-D464 WeakPolarHBondContact O-CA 3.32Å; V460-D464 PolarHBondContact O-N 2.95Å; D464-E466 PolarHBondContact O-N 3.23Å; D464-E466 PolarHBondContact OD1-N 3.45Å; D464-K467 HydrophobicContact CB-CB 3.94Å; D464-K467 PolarHBondContact O-N 2.96Å; D464-K467 PolarHBondContact OD1-N 3.47Å; D464-K467 VanDerWaalsContact OD2-CB 3.23Å; D464-K467 WeakPolarHBondContact OD2-CB 3.35Å; D464-A468 WeakPolarHBondContact O-CB 3.42Å; D464-A468 PolarHBondContact O-N 3.11Å
465	P	87.6	Confident	83.9	Confident	83 Å²	83	72.3 Å²	72.3	54%	0.539	38%	0.383	S	S	.	.	H	α-helix	trans	-64.7	-26.5	-177.7	25.5	-34	0	0	0	112.9	A469	P465-A469 WeakPolarHBondContact O-CB 3.41Å; P465-A469 PolarHBondContact O-N 3.4Å
466	E	85.8	Confident	83.9	Confident	149 Å²	149	71.3 Å²	71.3	70%	0.696	38%	0.384	S	S	*	.	H	α-helix	trans	-72.1	-44.4	177.7	-66.4	-168.6	175.3	0	0	111.1	D464 A469 Q470	D464-E466 PolarHBondContact O-N 3.23Å; D464-E466 PolarHBondContact OD1-N 3.45Å; E466-A469 PolarHBondContact O-N 2.91Å; E466-Q470 WeakPolarHBondContact O-CG 3.44Å; E466-Q470 PolarHBondContact O-N 2.71Å
467	K	82.8	Confident	84	Confident	103 Å²	103	72.3 Å²	72.3	45%	0.448	39%	0.394	S	S	.	.	H	α-helix	trans	-64.5	-40.8	173	-173.7	177.6	-179	-179.2	0	111.3	V460 D464 A469 Q470 M471	V460-K467 HydrophobicContact CG1-CB 4.1Å; V460-K467 HydrophobicContact CG1-CD 4.07Å; V460-K467 HydrophobicContact CG1-CG 4.02Å; D464-K467 HydrophobicContact CB-CB 3.94Å; D464-K467 PolarHBondContact O-N 2.96Å; D464-K467 PolarHBondContact OD1-N 3.47Å; D464-K467 VanDerWaalsContact OD2-CB 3.23Å; D464-K467 WeakPolarHBondContact OD2-CB 3.35Å; K467-A469 VanDerWaalsContact C-N 3.32Å; K467-A469 PolarHBondContact O-N 3.36Å; K467-Q470 PolarHBondContact O-N 3.29Å; K467-Q470 VanDerWaalsContact O-N 3.15Å; K467-M471 HydrophobicContact CG-CE 4.26Å; K467-M471 HydrophobicContact CG-CG 4.5Å; K467-M471 HydrophobicContact CG-SD 4.06Å; K467-M471 WeakPolarHBondContact O-CG 3.15Å; K467-M471 PolarHBondContact O-N 3.49Å
468	A	83.4	Confident	84	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-60.4	-39.8	174.6	0	0	0	0	0	112.4	Y457 V460 L461 D464 Q470 M471 K472	Y457-A468 HydrophobicContact CE2-CB 4.14Å; Y457-A468 VanDerWaalsContact CE2-O 3.29Å; Y457-A468 WeakPolarHBondContact CE2-O 3.47Å; Y457-A468 PolarHBondContact OH-O 2.83Å; V460-A468 HydrophobicContact CG1-CB 4.23Å; L461-A468 HydrophobicContact CB-CB 3.98Å; L461-A468 HydrophobicContact CD1-CB 3.74Å; D464-A468 WeakPolarHBondContact O-CB 3.42Å; D464-A468 PolarHBondContact O-N 3.11Å; A468-Q470 VanDerWaalsContact C-N 3.3Å; A468-Q470 PolarHBondContact O-N 3.05Å; A468-M471 PolarHBondContact O-N 3.17Å; A468-K472 PolarHBondContact O-N 3.5Å
469	A	86.8	Confident	84.1	Confident	70 Å²	70	72.7 Å²	72.7	58%	0.579	40%	0.397	S	S	*	.	H	α-helix	trans	-61.5	-38.9	175.2	0	0	0	0	0	112.3	P465 E466 K467	P465-A469 WeakPolarHBondContact O-CB 3.41Å; P465-A469 PolarHBondContact O-N 3.4Å; E466-A469 PolarHBondContact O-N 2.91Å; K467-A469 VanDerWaalsContact C-N 3.32Å; K467-A469 PolarHBondContact O-N 3.36Å
470	Q	86.1	Confident	84.4	Confident	147 Å²	147	78 Å²	78	69%	0.687	42%	0.416	S	S	*	.	H	α-helix	trans	-69.2	-36.5	177.6	-66.1	173.6	32.4	0	0	112.7	E466 K467 A468	E466-Q470 WeakPolarHBondContact O-CG 3.44Å; E466-Q470 PolarHBondContact O-N 2.71Å; K467-Q470 PolarHBondContact O-N 3.29Å; K467-Q470 VanDerWaalsContact O-N 3.15Å; A468-Q470 VanDerWaalsContact C-N 3.3Å; A468-Q470 PolarHBondContact O-N 3.05Å
471	M	80.9	Confident	84.6	Confident	35 Å²	35	80.3 Å²	80.3	17%	0.172	43%	0.429	C	S	.	.	H	α-helix	trans	-82.9	-15.8	-178.4	-63.2	-176.5	-43.7	0	0	113.8	V460 K467 A468 S473 Q474 V475	V460-M471 HydrophobicContact CB-CE 3.52Å; V460-M471 HydrophobicContact CG1-CE 3.24Å; V460-M471 HydrophobicContact CG2-CE 3.82Å; K467-M471 HydrophobicContact CG-CE 4.26Å; K467-M471 HydrophobicContact CG-CG 4.5Å; K467-M471 HydrophobicContact CG-SD 4.06Å; K467-M471 WeakPolarHBondContact O-CG 3.15Å; K467-M471 PolarHBondContact O-N 3.49Å; A468-M471 PolarHBondContact O-N 3.17Å; M471-S473 VanDerWaalsContact C-N 3.31Å; M471-S473 PolarHBondContact O-N 2.98Å; M471-Q474 WeakPolarHBondContact O-CB 3.48Å; M471-Q474 PolarHBondContact O-N 3.45Å; M471-V475 PolarHBondContact O-N 3.35Å
472	K	83.7	Confident	84.7	Confident	112 Å²	112	78 Å²	78	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-52.3	-44.1	-173	-174.4	173.6	-178.8	173.2	0	113.6	Y457 A468 V475 M476	Y457-K472 HydrophobicContact CE2-CB 4.22Å; Y457-K472 WeakPolarHBondContact OH-CB 3.31Å; Y457-K472 WeakPolarHBondContact OH-CG 3.5Å; A468-K472 PolarHBondContact O-N 3.5Å; K472-V475 PolarHBondContact O-N 2.94Å; K472-M476 WeakPolarHBondContact O-CB 3.39Å; K472-M476 VanDerWaalsContact O-CG 3.31Å; K472-M476 WeakPolarHBondContact O-CG 3.01Å; K472-M476 PolarHBondContact O-N 3.32Å
473	S	82.3	Confident	84.8	Confident	83 Å²	83	78.8 Å²	78.8	58%	0.58	41%	0.407	S	S	*	.	H	α-helix	trans	-65.8	-40.4	-179.9	55	0	0	0	0	112.3	M471 T477	M471-S473 VanDerWaalsContact C-N 3.31Å; M471-S473 PolarHBondContact O-N 2.98Å; S473-T477 WeakPolarHBondContact O-CB 3.34Å; S473-T477 PolarHBondContact O-N 3.41Å; S473-T477 PolarHBondContact O-OG1 3.47Å
474	Q	84	Confident	85	Confident	146 Å²	146	80 Å²	80	68%	0.682	41%	0.408	S	S	*	.	H	α-helix	trans	-65.6	-45.1	176.9	-176.1	178.4	-7.1	0	0	110.9	M471 T477 H478	M471-Q474 WeakPolarHBondContact O-CB 3.48Å; M471-Q474 PolarHBondContact O-N 3.45Å; Q474-T477 WeakPolarHBondContact O-CB 2.93Å; Q474-T477 PolarHBondContact O-N 2.96Å; Q474-H478 PolarHBondContact O-N 2.97Å
475	V	85.6	Confident	85.4	Confident	20 Å²	20	79.1 Å²	79.1	12%	0.121	40%	0.4	C	S	.	.	H	α-helix	trans	-60.1	-48.6	176.8	169.1	0	0	0	0	111.3	T453 Y457 M471 K472 T477 H478 L479	T453-V475 HydrophobicContact CG2-CG1 4.05Å; Y457-V475 HydrophobicContact CD2-CB 4.26Å; Y457-V475 HydrophobicContact CD2-CG1 4.32Å; Y457-V475 HydrophobicContact CD2-CG2 3.74Å; Y457-V475 HydrophobicContact CE2-CG2 4.49Å; Y457-V475 HydrophobicContact CG-CG1 4.08Å; Y457-V475 HydrophobicContact CG-CG2 4.2Å; M471-V475 PolarHBondContact O-N 3.35Å; K472-V475 PolarHBondContact O-N 2.94Å; V475-T477 VanDerWaalsContact C-N 3.26Å; V475-T477 PolarHBondContact O-N 2.99Å; V475-H478 PolarHBondContact O-N 3.06Å; V475-L479 HydrophobicContact CG1-CD1 4.11Å; V475-L479 WeakPolarHBondContact O-CG 3.42Å; V475-L479 PolarHBondContact O-N 3.01Å
476	M	82.9	Confident	85.4	Confident	82 Å²	82	76 Å²	76	40%	0.404	38%	0.378	S	S	.	.	H	α-helix	trans	-61.8	-35	177.4	-71.8	-58.4	-60.8	0	0	112.7	K472 R480	K472-M476 WeakPolarHBondContact O-CB 3.39Å; K472-M476 VanDerWaalsContact O-CG 3.31Å; K472-M476 WeakPolarHBondContact O-CG 3.01Å; K472-M476 PolarHBondContact O-N 3.32Å; M476-R480 WeakPolarHBondContact O-CG 3.47Å; M476-R480 PolarHBondContact O-N 3.3Å
477	T	86.4	Confident	85.5	Confident	80 Å²	80	71.6 Å²	71.6	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-66.7	-46.3	175.5	-55.9	0	0	0	0	110.6	S473 Q474 V475 L479 R480 V481	S473-T477 WeakPolarHBondContact O-CB 3.34Å; S473-T477 PolarHBondContact O-N 3.41Å; S473-T477 PolarHBondContact O-OG1 3.47Å; Q474-T477 WeakPolarHBondContact O-CB 2.93Å; Q474-T477 PolarHBondContact O-N 2.96Å; V475-T477 VanDerWaalsContact C-N 3.26Å; V475-T477 PolarHBondContact O-N 2.99Å; T477-L479 VanDerWaalsContact C-N 3.35Å; T477-L479 PolarHBondContact O-N 2.73Å; T477-R480 PolarHBondContact O-N 3.49Å; T477-V481 WeakPolarHBondContact O-CG2 3.33Å; T477-V481 PolarHBondContact O-N 2.77Å
478	H	85.7	Confident	85.8	Confident	58 Å²	58	72.6 Å²	72.6	27%	0.269	37%	0.366	S	S	.	.	H	α-helix	trans	-59.8	-44.1	178.5	-170	-136.5	0	0	0	112.1	D449 T453 Q474 V475 R480 V481 I482	D449-H478 IonicContact OD1-CE1 3.62Å; D449-H478 PolarHBondContact OD1-CE1 3.35Å; D449-H478 IonicContact OD2-CE1 2.72Å; D449-H478 IonicContact OD2-NE2 3.14Å; T453-H478 HydrophobicContact CG2-CB 4.46Å; T453-H478 PolarHBondContact OG1-CE1 3.3Å; T453-H478 VanDerWaalsContact OG1-CE1 3.28Å; T453-H478 PolarHBondContact OG1-ND1 3.26Å; Q474-H478 PolarHBondContact O-N 2.97Å; V475-H478 PolarHBondContact O-N 3.06Å; H478-R480 VanDerWaalsContact C-N 3.34Å; H478-R480 PolarHBondContact O-N 3.37Å; H478-V481 PolarHBondContact O-N 3.2Å; H478-I482 WeakPolarHBondContact O-CG1 3.36Å; H478-I482 PolarHBondContact O-N 2.73Å
479	L	86.6	Confident	86.1	Confident	33 Å²	33	73 Å²	73	17%	0.173	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-39.2	177.8	-65.4	174.3	0	0	0	112.9	R450 T453 V454 V475 T477 I482 E483	R450-L479 HydrophobicContact CG-CD2 3.82Å; T453-L479 HydrophobicContact CG2-CD2 4.11Å; T453-L479 HydrophobicContact CG2-CG 4.39Å; V454-L479 HydrophobicContact CG2-CD1 4.26Å; V454-L479 HydrophobicContact CG2-CD2 3.95Å; V475-L479 HydrophobicContact CG1-CD1 4.11Å; V475-L479 WeakPolarHBondContact O-CG 3.42Å; V475-L479 PolarHBondContact O-N 3.01Å; T477-L479 VanDerWaalsContact C-N 3.35Å; T477-L479 PolarHBondContact O-N 2.73Å; L479-I482 PolarHBondContact O-N 3.5Å; L479-E483 PolarHBondContact O-N 3.03Å; L479-E483 VanDerWaalsContact O-N 3.11Å
480	R	86.6	Confident	86.2	Confident	148 Å²	148	70.4 Å²	70.4	56%	0.558	34%	0.344	S	S	*	.	H	α-helix	trans	-65.2	-42.1	174	-73.1	179.2	-169.8	166.1	2.3	112.1	M476 T477 H478 I482 E483 E484	M476-R480 WeakPolarHBondContact O-CG 3.47Å; M476-R480 PolarHBondContact O-N 3.3Å; T477-R480 PolarHBondContact O-N 3.49Å; H478-R480 VanDerWaalsContact C-N 3.34Å; H478-R480 PolarHBondContact O-N 3.37Å; R480-I482 VanDerWaalsContact C-N 3.3Å; R480-I482 PolarHBondContact O-N 3.14Å; R480-E483 PolarHBondContact O-N 3.24Å; R480-E484 WeakPolarHBondContact O-CB 3.26Å; R480-E484 WeakPolarHBondContact O-CG 3.22Å; R480-E484 PolarHBondContact O-N 3.47Å
481	V	88.7	Confident	86.3	Confident	58 Å²	58	66.2 Å²	66.2	35%	0.352	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-41.1	177.3	170.8	0	0	0	0	110.9	T477 H478 R485	T477-V481 WeakPolarHBondContact O-CG2 3.33Å; T477-V481 PolarHBondContact O-N 2.77Å; H478-V481 PolarHBondContact O-N 3.2Å; V481-R485 WeakPolarHBondContact O-CB 3.26Å; V481-R485 PolarHBondContact O-N 2.93Å
482	I	87.1	Confident	86.7	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-48.5	174.8	-67.2	166.5	0	0	0	110.7	E446 D449 R450 H478 L479 R480 R485 M486	E446-I482 HydrophobicContact CB-CG2 4.42Å; D449-I482 HydrophobicContact CB-CD1 4.38Å; R450-I482 HydrophobicContact CB-CD1 4.28Å; R450-I482 HydrophobicContact CB-CG2 4.29Å; H478-I482 WeakPolarHBondContact O-CG1 3.36Å; H478-I482 PolarHBondContact O-N 2.73Å; L479-I482 PolarHBondContact O-N 3.5Å; R480-I482 VanDerWaalsContact C-N 3.3Å; R480-I482 PolarHBondContact O-N 3.14Å; I482-R485 PolarHBondContact O-N 2.94Å; I482-M486 WeakPolarHBondContact O-CB 3.42Å; I482-M486 PolarHBondContact O-N 3.34Å
483	E	84.4	Confident	87	Confident	97 Å²	97	61.1 Å²	61.1	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-47.4	179.4	-174.7	178.8	-170.9	0	0	112.2	L479 R480 R485 M486 N487	L479-E483 PolarHBondContact O-N 3.03Å; L479-E483 VanDerWaalsContact O-N 3.11Å; R480-E483 PolarHBondContact O-N 3.24Å; E483-R485 PolarHBondContact O-N 3.34Å; E483-M486 PolarHBondContact O-N 3.42Å; E483-N487 WeakPolarHBondContact O-CB 3.19Å; E483-N487 VanDerWaalsContact O-CG 3.24Å; E483-N487 PolarHBondContact O-N 2.92Å; E483-N487 PolarHBondContact O-ND2 3.31Å
484	E	86.8	Confident	87	Confident	110 Å²	110	62.6 Å²	62.6	51%	0.514	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-45.1	177.9	-74.3	174.8	-174.1	0	0	111.6	R480 N487 Q488	R480-E484 WeakPolarHBondContact O-CB 3.26Å; R480-E484 WeakPolarHBondContact O-CG 3.22Å; R480-E484 PolarHBondContact O-N 3.47Å; E484-N487 PolarHBondContact O-N 2.96Å; E484-Q488 WeakPolarHBondContact O-CB 3.42Å; E484-Q488 VanDerWaalsContact O-CG 3.25Å; E484-Q488 WeakPolarHBondContact O-CG 3.2Å; E484-Q488 PolarHBondContact O-N 3.27Å
485	R	89.4	Confident	87	Confident	44 Å²	44	63.4 Å²	63.4	17%	0.166	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-39.2	178.4	-177.3	173.8	63	-141.9	-1	112.3	R414 E446 D449 V481 I482 E483 Q488 S489	R414-R485 VanDerWaalsContact CD-CZ 3.49Å; R414-R485 VanDerWaalsContact CZ-CZ 3.48Å; E446-R485 IonicContact OE1-CZ 3.69Å; E446-R485 IonicContact OE1-NE 2.66Å; E446-R485 PolarHBondContact OE1-NE 2.99Å; E446-R485 IonicContact OE1-NH2 2.85Å; E446-R485 PolarHBondContact OE1-NH2 3.34Å; E446-R485 IonicContact OE2-CZ 2.73Å; E446-R485 IonicContact OE2-NE 3.61Å; E446-R485 IonicContact OE2-NH2 3.77Å; E446-R485 PolarHBondContact OE2-NH2 2.93Å; D449-R485 IonicContact OD2-NH2 3.72Å; V481-R485 WeakPolarHBondContact O-CB 3.26Å; V481-R485 PolarHBondContact O-N 2.93Å; I482-R485 PolarHBondContact O-N 2.94Å; E483-R485 PolarHBondContact O-N 3.34Å; R485-Q488 PolarHBondContact O-N 3.37Å; R485-S489 WeakPolarHBondContact O-CB 3.33Å; R485-S489 PolarHBondContact O-N 3.2Å; R485-S489 PolarHBondContact O-OG 2.82Å
486	M	87.7	Confident	87.1	Confident	17 Å²	17	63.6 Å²	63.6	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-47.7	173.2	-176.8	175.2	63.8	0	0	110.7	V443 I482 E483 Q488 S489 L490	V443-M486 HydrophobicContact CG1-SD 4.31Å; I482-M486 WeakPolarHBondContact O-CB 3.42Å; I482-M486 PolarHBondContact O-N 3.34Å; E483-M486 PolarHBondContact O-N 3.42Å; M486-Q488 PolarHBondContact O-N 2.95Å; M486-S489 PolarHBondContact O-N 3.43Å; M486-S489 VanDerWaalsContact O-N 3.15Å; M486-L490 HydrophobicContact CG-CD1 3.97Å; M486-L490 WeakPolarHBondContact O-CG 3.39Å; M486-L490 PolarHBondContact O-N 3.01Å
487	N	87.8	Confident	87.2	Confident	56 Å²	56	64.1 Å²	64.1	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-61.9	-41.6	177.6	-72.6	-26.1	0	0	0	112.5	E483 E484 S489 L490 S491	E483-N487 WeakPolarHBondContact O-CB 3.19Å; E483-N487 VanDerWaalsContact O-CG 3.24Å; E483-N487 PolarHBondContact O-N 2.92Å; E483-N487 PolarHBondContact O-ND2 3.31Å; E484-N487 PolarHBondContact O-N 2.96Å; N487-S489 VanDerWaalsContact C-N 3.32Å; N487-S489 PolarHBondContact O-N 2.91Å; N487-L490 PolarHBondContact O-N 3.49Å; N487-S491 PolarHBondContact O-N 3.16Å
488	Q	88.8	Confident	87.2	Confident	125 Å²	125	65.9 Å²	65.9	58%	0.584	31%	0.314	S	S	*	.	H	α-helix	trans	-60.2	-42.9	173.6	-74.1	171.6	14.6	0	0	111.5	E484 R485 M486 S491	E484-Q488 WeakPolarHBondContact O-CB 3.42Å; E484-Q488 VanDerWaalsContact O-CG 3.25Å; E484-Q488 WeakPolarHBondContact O-CG 3.2Å; E484-Q488 PolarHBondContact O-N 3.27Å; R485-Q488 PolarHBondContact O-N 3.37Å; M486-Q488 PolarHBondContact O-N 2.95Å; Q488-S491 WeakPolarHBondContact O-CB 3.41Å; Q488-S491 PolarHBondContact O-N 2.89Å; Q488-S491 PolarHBondContact O-OG 3.42Å
489	S	89.6	Confident	87.3	Confident	8 Å²	8	63.1 Å²	63.1	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-69.8	-37.7	-179.8	-58.9	0	0	0	0	112.5	Y421 Y442 R485 M486 N487 S491 L492	Y421-S489 WeakPolarHBondContact CE1-O 3.49Å; Y421-S489 PolarHBondContact OH-O 3.19Å; Y442-S489 VanDerWaalsContact CE1-CB 3.43Å; Y442-S489 PolarHBondContact OH-OG 3.48Å; R485-S489 WeakPolarHBondContact O-CB 3.33Å; R485-S489 PolarHBondContact O-N 3.2Å; R485-S489 PolarHBondContact O-OG 2.82Å; M486-S489 PolarHBondContact O-N 3.43Å; M486-S489 VanDerWaalsContact O-N 3.15Å; N487-S489 VanDerWaalsContact C-N 3.32Å; N487-S489 PolarHBondContact O-N 2.91Å; S489-S491 VanDerWaalsContact C-N 3.31Å; S489-S491 PolarHBondContact O-N 3.07Å; S489-L492 WeakPolarHBondContact O-CB 3.49Å; S489-L492 PolarHBondContact O-N 3.37Å
490	L	88.6	Confident	87.4	Confident	15 Å²	15	61.8 Å²	61.8	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-36.9	172	-71.7	163.4	0	0	0	111.6	L439 M486 N487 L492 L493 I507 L511	L439-L490 HydrophobicContact CD1-CD2 3.73Å; L439-L490 HydrophobicContact CD2-CD2 4.01Å; L439-L490 HydrophobicContact CG-CD2 4.36Å; M486-L490 HydrophobicContact CG-CD1 3.97Å; M486-L490 WeakPolarHBondContact O-CG 3.39Å; M486-L490 PolarHBondContact O-N 3.01Å; N487-L490 PolarHBondContact O-N 3.49Å; L490-L492 PolarHBondContact O-N 2.96Å; L490-L493 HydrophobicContact CD2-CD1 4.37Å; L490-L493 WeakPolarHBondContact O-CB 3.38Å; L490-L493 PolarHBondContact O-N 3.44Å; L490-L493 VanDerWaalsContact O-N 3.08Å; L490-I507 HydrophobicContact CD2-CG2 4.19Å; L490-L511 HydrophobicContact CD1-CD1 4.17Å; L490-L511 HydrophobicContact CD1-CD2 3.76Å
491	S	89	Confident	87.5	Confident	59 Å²	59	62.7 Å²	62.7	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-21.6	178.9	82.8	0	0	0	0	113.6	N487 Q488 S489 L493 Y494	N487-S491 PolarHBondContact O-N 3.16Å; Q488-S491 WeakPolarHBondContact O-CB 3.41Å; Q488-S491 PolarHBondContact O-N 2.89Å; Q488-S491 PolarHBondContact O-OG 3.42Å; S489-S491 VanDerWaalsContact C-N 3.31Å; S489-S491 PolarHBondContact O-N 3.07Å; S491-L493 PolarHBondContact O-N 3.36Å; S491-Y494 PolarHBondContact O-N 2.99Å
492	L	89.7	Confident	87.5	Confident	36 Å²	36	65.8 Å²	65.8	19%	0.188	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-66.1	-25.5	177.7	-61	175.9	0	0	0	112.9	Y421 L422 L425 S489 L490 Y494 K495	Y421-L492 HydrophobicContact CE1-CD1 4.4Å; L422-L492 HydrophobicContact CD2-CD1 3.47Å; L422-L492 VanDerWaalsContact CD2-CD1 3.47Å; L425-L492 HydrophobicContact CD1-CB 3.91Å; S489-L492 WeakPolarHBondContact O-CB 3.49Å; S489-L492 PolarHBondContact O-N 3.37Å; L490-L492 PolarHBondContact O-N 2.96Å; L492-Y494 PolarHBondContact O-N 3.47Å; L492-K495 HydrophobicContact CD2-CD 4.12Å; L492-K495 VanDerWaalsContact O-CB 3.3Å; L492-K495 WeakPolarHBondContact O-CB 3.28Å; L492-K495 PolarHBondContact O-N 3.22Å; L492-K495 VanDerWaalsContact O-N 3.11Å
493	L	88.4	Confident	87.7	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-60.4	-35.1	174.1	-77.7	146.2	0	0	0	111.8	Y421 L425 I435 L439 L490 S491 K495 V496 L503 I507	Y421-L493 HydrophobicContact CE2-CD2 4.47Å; Y421-L493 HydrophobicContact CE2-CG 4.37Å; Y421-L493 WeakPolarHBondContact OH-CD1 3.29Å; Y421-L493 VanDerWaalsContact OH-CG 3.24Å; Y421-L493 WeakPolarHBondContact OH-CG 3.49Å; L425-L493 HydrophobicContact CD2-CD2 3.92Å; L425-L493 HydrophobicContact CD2-CG 4.37Å; I435-L493 HydrophobicContact CG2-CD2 3.6Å; L439-L493 HydrophobicContact CD2-CD1 3.86Å; L490-L493 HydrophobicContact CD2-CD1 4.37Å; L490-L493 WeakPolarHBondContact O-CB 3.38Å; L490-L493 PolarHBondContact O-N 3.44Å; L490-L493 VanDerWaalsContact O-N 3.08Å; S491-L493 PolarHBondContact O-N 3.36Å; L493-K495 PolarHBondContact O-N 3.05Å; L493-K495 VanDerWaalsContact O-N 3.1Å; L493-V496 CarbonylContact O-C 3.57Å; L493-V496 PolarHBondContact O-N 2.75Å; L493-L503 HydrophobicContact CD2-CD1 4.3Å; L493-I507 HydrophobicContact CD1-CD1 3.71Å
494	Y	83	Confident	87.8	Confident	114 Å²	114	63 Å²	63	45%	0.447	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-67.7	-10.3	179.1	-61.8	-59.6	0	0	0	113.7	S491 L492 V496 A500	S491-Y494 PolarHBondContact O-N 2.99Å; L492-Y494 PolarHBondContact O-N 3.47Å; Y494-V496 PolarHBondContact O-N 3.34Å; Y494-A500 HydrophobicContact CD1-CB 4.07Å; Y494-A500 HydrophobicContact CE1-CB 4.44Å
495	K	84.6	Confident	88	Confident	163 Å²	163	63.8 Å²	63.8	71%	0.709	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-72.5	-17.5	168.8	-60.6	-177.4	177	177.8	0	112.3	L492 L493 P497	L492-K495 HydrophobicContact CD2-CD 4.12Å; L492-K495 VanDerWaalsContact O-CB 3.3Å; L492-K495 WeakPolarHBondContact O-CB 3.28Å; L492-K495 PolarHBondContact O-N 3.22Å; L492-K495 VanDerWaalsContact O-N 3.11Å; L493-K495 PolarHBondContact O-N 3.05Å; L493-K495 VanDerWaalsContact O-N 3.1Å; K495-P497 WeakPolarHBondContact O-CD 3.23Å
496	V	87.7	Confident	88	Confident	25 Å²	25	65.9 Å²	65.9	15%	0.152	32%	0.322	C	S	.	.	S	Bend	trans	-120.8	75	176.9	-166.2	0	0	0	0	109	P430 L493 Y494 Y498 V499 A500	P430-V496 HydrophobicContact CB-CG1 4.31Å; P430-V496 HydrophobicContact CG-CG1 3.99Å; L493-V496 CarbonylContact O-C 3.57Å; L493-V496 PolarHBondContact O-N 2.75Å; Y494-V496 PolarHBondContact O-N 3.34Å; V496-Y498 VanDerWaalsContact C-N 3.28Å; V496-Y498 HydrophobicContact CG1-CD1 3.77Å; V496-Y498 HydrophobicContact CG1-CE1 3.38Å; V496-Y498 PolarHBondContact O-N 3.04Å; V496-Y498 VanDerWaalsContact O-N 3.13Å; V496-V499 HydrophobicContact CB-CB 4.39Å; V496-V499 HydrophobicContact CB-CG2 4.42Å; V496-V499 HydrophobicContact CG1-CB 4Å; V496-V499 HydrophobicContact CG1-CG2 3.56Å; V496-V499 PolarHBondContact O-N 3.02Å; V496-A500 PolarHBondContact O-N 3.26Å
497	P	84.8	Confident	88	Confident	92 Å²	92	65.6 Å²	65.6	60%	0.597	32%	0.321	S	S	*	.	H	α-helix	trans	-61.3	-30.3	-164.3	21.1	-33	0	0	0	114.6	K495 E501	K495-P497 WeakPolarHBondContact O-CD 3.23Å; P497-E501 PolarHBondContact O-N 3.03Å; P497-E501 VanDerWaalsContact O-N 3.17Å
498	Y	86.5	Confident	88	Confident	117 Å²	117	64.1 Å²	64.1	46%	0.459	31%	0.313	S	S	.	.	H	α-helix	trans	-69.6	-37	178.1	81.5	-95	0	0	0	112.3	P430 V496 E502	P430-Y498 WeakPolarHBondContact CB-OH 3.45Å; P430-Y498 WeakPolarHBondContact CD-OH 3.23Å; P430-Y498 HydrophobicContact CG-CE1 4.17Å; P430-Y498 WeakPolarHBondContact CG-OH 3.13Å; P430-Y498 PolarHBondContact O-OH 3.09Å; V496-Y498 VanDerWaalsContact C-N 3.28Å; V496-Y498 HydrophobicContact CG1-CD1 3.77Å; V496-Y498 HydrophobicContact CG1-CE1 3.38Å; V496-Y498 PolarHBondContact O-N 3.04Å; V496-Y498 VanDerWaalsContact O-N 3.13Å; Y498-E502 PolarHBondContact O-N 3.48Å
499	V	88.4	Confident	88	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-74	-39.6	176	178.8	0	0	0	0	110	P430 P432 I435 V496 E501 E502 L503	P430-V499 HydrophobicContact CB-CG2 4.15Å; P432-V499 HydrophobicContact CB-CG1 4.29Å; P432-V499 HydrophobicContact CG-CG1 4.44Å; P432-V499 HydrophobicContact CG-CG2 4.45Å; I435-V499 HydrophobicContact CD1-CG1 3.83Å; I435-V499 HydrophobicContact CD1-CG2 4.26Å; V496-V499 HydrophobicContact CB-CB 4.39Å; V496-V499 HydrophobicContact CB-CG2 4.42Å; V496-V499 HydrophobicContact CG1-CB 4Å; V496-V499 HydrophobicContact CG1-CG2 3.56Å; V496-V499 PolarHBondContact O-N 3.02Å; V499-E501 VanDerWaalsContact C-N 3.29Å; V499-E501 PolarHBondContact O-N 2.92Å; V499-E502 PolarHBondContact O-N 3.38Å; V499-L503 HydrophobicContact CG1-CD1 3.47Å; V499-L503 VanDerWaalsContact CG1-CD1 3.47Å; V499-L503 HydrophobicContact CG1-CG 3.89Å; V499-L503 WeakPolarHBondContact O-CB 3.23Å; V499-L503 WeakPolarHBondContact O-CG 3.29Å; V499-L503 PolarHBondContact O-N 3.4Å
500	A	87.8	Confident	87.9	Confident	5 Å²	5	64.1 Å²	64.1	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-41	179.2	0	0	0	0	0	111.9	Y494 V496 Q504	Y494-A500 HydrophobicContact CD1-CB 4.07Å; Y494-A500 HydrophobicContact CE1-CB 4.44Å; V496-A500 PolarHBondContact O-N 3.26Å; A500-Q504 WeakPolarHBondContact O-CB 3.31Å; A500-Q504 PolarHBondContact O-N 2.86Å; A500-Q504 VanDerWaalsContact O-N 3.11Å
501	E	87.9	Confident	87.6	Confident	167 Å²	167	64.9 Å²	64.9	78%	0.78	32%	0.321	S	S	*	.	H	α-helix	trans	-66.8	-37.5	177.1	-170.3	173.4	-168.5	0	0	112.5	P497 V499	P497-E501 PolarHBondContact O-N 3.03Å; P497-E501 VanDerWaalsContact O-N 3.17Å; V499-E501 VanDerWaalsContact C-N 3.29Å; V499-E501 PolarHBondContact O-N 2.92Å
502	E	90.3	Very high	87.4	Confident	124 Å²	124	68.8 Å²	68.8	58%	0.579	33%	0.332	S	S	*	.	H	α-helix	trans	-71.2	-37.4	178.7	-173.7	174.9	172.9	0	0	112.6	P432 Y498 V499	P432-E502 VanDerWaalsContact CG-OE2 3.25Å; P432-E502 WeakPolarHBondContact CG-OE2 3.43Å; Y498-E502 PolarHBondContact O-N 3.48Å; V499-E502 PolarHBondContact O-N 3.38Å
503	L	90.6	Very high	86.9	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-91.4	-6.1	-175.9	-63.8	-174.5	0	0	0	114.2	P432 I435 M436 L493 V499 D505 E506 I507	P432-L503 HydrophobicContact CB-CD1 4.48Å; P432-L503 HydrophobicContact CB-CD2 3.89Å; P432-L503 HydrophobicContact CB-CG 4.24Å; I435-L503 HydrophobicContact CB-CD1 4.23Å; I435-L503 HydrophobicContact CG2-CD1 3.93Å; M436-L503 HydrophobicContact CB-CD1 4.27Å; M436-L503 HydrophobicContact CB-CD2 4.11Å; M436-L503 HydrophobicContact CE-CB 3.86Å; M436-L503 HydrophobicContact CE-CD1 4.23Å; M436-L503 HydrophobicContact CE-CD2 3.93Å; M436-L503 HydrophobicContact CE-CG 4.22Å; L493-L503 HydrophobicContact CD2-CD1 4.3Å; V499-L503 HydrophobicContact CG1-CD1 3.47Å; V499-L503 VanDerWaalsContact CG1-CD1 3.47Å; V499-L503 HydrophobicContact CG1-CG 3.89Å; V499-L503 WeakPolarHBondContact O-CB 3.23Å; V499-L503 WeakPolarHBondContact O-CG 3.29Å; V499-L503 PolarHBondContact O-N 3.4Å; L503-D505 PolarHBondContact O-N 2.98Å; L503-E506 PolarHBondContact O-N 3.31Å; L503-I507 HydrophobicContact CB-CD1 3.86Å; L503-I507 HydrophobicContact CB-CG1 4.37Å; L503-I507 WeakPolarHBondContact O-CD1 3.28Å; L503-I507 VanDerWaalsContact O-CG1 3.26Å; L503-I507 WeakPolarHBondContact O-CG1 3.14Å; L503-I507 PolarHBondContact O-N 3.4Å
504	Q	87.3	Confident	86.2	Confident	39 Å²	39	74 Å²	74	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-56.9	-45.1	-170	-171.4	66.7	42.6	0	0	112.9	A500 I507 D508	A500-Q504 WeakPolarHBondContact O-CB 3.31Å; A500-Q504 PolarHBondContact O-N 2.86Å; A500-Q504 VanDerWaalsContact O-N 3.11Å; Q504-I507 PolarHBondContact O-N 3.15Å; Q504-D508 PolarHBondContact NE2-OD1 3.47Å; Q504-D508 PolarHBondContact O-N 3.23Å
505	D	89.4	Confident	85.8	Confident	125 Å²	125	73.8 Å²	73.8	67%	0.668	36%	0.357	S	S	*	.	H	α-helix	trans	-65.1	-42.7	-178.8	-66.8	-24.8	0	0	0	111.3	L503 I507 D508 D509	L503-D505 PolarHBondContact O-N 2.98Å; D505-I507 VanDerWaalsContact C-N 3.34Å; D505-I507 PolarHBondContact O-N 3.03Å; D505-D508 PolarHBondContact O-N 3.03Å; D505-D509 PolarHBondContact O-N 2.73Å
506	E	89.8	Confident	85.4	Confident	88 Å²	88	68.7 Å²	68.7	41%	0.411	35%	0.346	S	S	.	.	H	α-helix	trans	-67.3	-33	177.2	-73	-172.4	-126.5	0	0	112.8	M436 K440 L503 L510	M436-E506 HydrophobicContact CE-CB 3.34Å; M436-E506 HydrophobicContact CE-CG 4.37Å; M436-E506 WeakPolarHBondContact CG-OE2 3.45Å; M436-E506 HydrophobicContact SD-CB 4.27Å; K440-E506 IonicContact NZ-OE2 2.73Å; L503-E506 PolarHBondContact O-N 3.31Å; E506-L510 WeakPolarHBondContact O-CB 3.17Å; E506-L510 PolarHBondContact O-N 2.93Å; E506-L510 VanDerWaalsContact O-N 3.14Å
507	I	88.4	Confident	84.4	Confident	11 Å²	11	70.6 Å²	70.6	6%	0.056	36%	0.355	C	S	.	.	H	α-helix	trans	-69.6	-43.4	174.7	-66.2	159.5	0	0	0	110.1	M436 L439 L490 L493 L503 Q504 D505 D509 L510 L511	M436-I507 HydrophobicContact CE-CG1 3.78Å; L439-I507 HydrophobicContact CD2-CD1 4.43Å; L439-I507 HydrophobicContact CD2-CG1 3.91Å; L490-I507 HydrophobicContact CD2-CG2 4.19Å; L493-I507 HydrophobicContact CD1-CD1 3.71Å; L503-I507 HydrophobicContact CB-CD1 3.86Å; L503-I507 HydrophobicContact CB-CG1 4.37Å; L503-I507 WeakPolarHBondContact O-CD1 3.28Å; L503-I507 VanDerWaalsContact O-CG1 3.26Å; L503-I507 WeakPolarHBondContact O-CG1 3.14Å; L503-I507 PolarHBondContact O-N 3.4Å; Q504-I507 PolarHBondContact O-N 3.15Å; D505-I507 VanDerWaalsContact C-N 3.34Å; D505-I507 PolarHBondContact O-N 3.03Å; I507-D509 VanDerWaalsContact C-N 3.34Å; I507-D509 PolarHBondContact O-N 2.8Å; I507-L510 WeakPolarHBondContact O-CB 3.5Å; I507-L510 PolarHBondContact O-N 2.77Å; I507-L511 HydrophobicContact CG2-CD1 3.89Å; I507-L511 HydrophobicContact CG2-CG 4.27Å; I507-L511 VanDerWaalsContact O-CG 3.31Å; I507-L511 WeakPolarHBondContact O-CG 3.39Å; I507-L511 PolarHBondContact O-N 3.41Å
508	D	87.9	Confident	83.6	Confident	25 Å²	25	68.6 Å²	68.6	13%	0.134	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-42.9	179	-77.6	-12	0	0	0	110.8	Q504 D505 L511 Q512 P549	Q504-D508 PolarHBondContact NE2-OD1 3.47Å; Q504-D508 PolarHBondContact O-N 3.23Å; D505-D508 PolarHBondContact O-N 3.03Å; D508-L511 PolarHBondContact O-N 3.37Å; D508-Q512 WeakPolarHBondContact O-CB 3.12Å; D508-Q512 PolarHBondContact O-N 3.37Å; D508-P549 WeakPolarHBondContact OD2-CB 3.47Å
509	D	89.3	Confident	82.9	Confident	112 Å²	112	66.4 Å²	66.4	60%	0.599	33%	0.334	S	S	*	.	H	α-helix	trans	-59.8	-47	174.3	-77.4	-16.5	0	0	0	111.7	D505 I507 L511 Q512 E513	D505-D509 PolarHBondContact O-N 2.73Å; I507-D509 VanDerWaalsContact C-N 3.34Å; I507-D509 PolarHBondContact O-N 2.8Å; D509-L511 PolarHBondContact O-N 3.38Å; D509-Q512 PolarHBondContact O-N 2.73Å; D509-E513 PolarHBondContact O-N 3.33Å
510	L	86.8	Confident	82.2	Confident	22 Å²	22	73 Å²	73	12%	0.115	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-42	178.2	-179.6	118.2	0	0	0	112.2	K440 V443 E506 I507 Q514	K440-L510 HydrophobicContact CB-CD1 4.35Å; K440-L510 HydrophobicContact CD-CD1 4.44Å; K440-L510 HydrophobicContact CG-CD1 3.45Å; K440-L510 VanDerWaalsContact CG-CD1 3.45Å; V443-L510 HydrophobicContact CB-CD2 4.01Å; V443-L510 HydrophobicContact CG1-CD2 3.59Å; V443-L510 HydrophobicContact CG1-CG 4.31Å; V443-L510 HydrophobicContact CG2-CD2 3.97Å; E506-L510 WeakPolarHBondContact O-CB 3.17Å; E506-L510 PolarHBondContact O-N 2.93Å; E506-L510 VanDerWaalsContact O-N 3.14Å; I507-L510 WeakPolarHBondContact O-CB 3.5Å; I507-L510 PolarHBondContact O-N 2.77Å; L510-Q514 VanDerWaalsContact O-CG 3.27Å; L510-Q514 WeakPolarHBondContact O-CG 3.48Å; L510-Q514 PolarHBondContact O-N 2.76Å
511	L	82.6	Confident	81.2	Confident	31 Å²	31	74.3 Å²	74.3	16%	0.162	37%	0.37	C	S	.	.	H	α-helix	trans	-72.7	-33.1	178.4	-68.8	176.6	0	0	0	112.6	L490 I507 D508 D509 Q514 K515	L490-L511 HydrophobicContact CD1-CD1 4.17Å; L490-L511 HydrophobicContact CD1-CD2 3.76Å; I507-L511 HydrophobicContact CG2-CD1 3.89Å; I507-L511 HydrophobicContact CG2-CG 4.27Å; I507-L511 VanDerWaalsContact O-CG 3.31Å; I507-L511 WeakPolarHBondContact O-CG 3.39Å; I507-L511 PolarHBondContact O-N 3.41Å; D508-L511 PolarHBondContact O-N 3.37Å; D509-L511 PolarHBondContact O-N 3.38Å; L511-Q514 WeakPolarHBondContact O-CB 3.37Å; L511-Q514 PolarHBondContact O-N 3.31Å; L511-K515 WeakPolarHBondContact O-CB 3.46Å; L511-K515 PolarHBondContact O-N 2.76Å
512	Q	83.9	Confident	80.1	Confident	140 Å²	140	70.2 Å²	70.2	65%	0.654	35%	0.353	S	S	*	.	H	α-helix	trans	-68.1	-41	177.3	-172.3	167.1	-4.2	0	0	111.6	D508 D509 Q514 K515 A516	D508-Q512 WeakPolarHBondContact O-CB 3.12Å; D508-Q512 PolarHBondContact O-N 3.37Å; D509-Q512 PolarHBondContact O-N 2.73Å; Q512-Q514 VanDerWaalsContact C-N 3.34Å; Q512-Q514 PolarHBondContact O-N 3.33Å; Q512-K515 PolarHBondContact O-N 2.97Å; Q512-A516 PolarHBondContact O-N 2.91Å
513	E	80.3	Confident	79.1	Confident	136 Å²	136	67.2 Å²	67.2	64%	0.636	35%	0.346	S	S	*	.	H	α-helix	trans	-57.1	-47.4	171.3	-173.6	175.9	-163.5	0	0	110.8	D509 K515 A516 D517	D509-E513 PolarHBondContact O-N 3.33Å; E513-K515 VanDerWaalsContact C-N 3.3Å; E513-K515 PolarHBondContact O-N 2.79Å; E513-A516 PolarHBondContact O-N 3.15Å; E513-D517 PolarHBondContact O-N 3.38Å
514	Q	72.5	Confident	77.6	Confident	13 Å²	13	69.5 Å²	69.5	6%	0.061	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-35.4	177.6	-70.4	-126.4	-21.3	0	0	114.5	V443 N447 R450 L510 L511 Q512 M518	V443-Q514 VanDerWaalsContact CG1-CD 3.48Å; V443-Q514 HydrophobicContact CG1-CG 4.26Å; V443-Q514 PolarHBondContact O-NE2 3.21Å; N447-Q514 PolarHBondContact ND2-NE2 3.02Å; N447-Q514 PolarHBondContact OD1-NE2 3.37Å; N447-Q514 PolarHBondContact OD1-OE1 2.75Å; R450-Q514 PolarHBondContact NH1-O 2.85Å; R450-Q514 PolarHBondContact NH2-O 3.36Å; L510-Q514 VanDerWaalsContact O-CG 3.27Å; L510-Q514 WeakPolarHBondContact O-CG 3.48Å; L510-Q514 PolarHBondContact O-N 2.76Å; L511-Q514 WeakPolarHBondContact O-CB 3.37Å; L511-Q514 PolarHBondContact O-N 3.31Å; Q512-Q514 VanDerWaalsContact C-N 3.34Å; Q512-Q514 PolarHBondContact O-N 3.33Å; Q514-M518 PolarHBondContact O-N 3.18Å
515	K	74.4	Confident	76.1	Confident	110 Å²	110	69.7 Å²	69.7	48%	0.478	36%	0.364	S	S	.	.	H	α-helix	trans	-72.4	-38.9	179.5	-176.9	168.7	172.3	45.7	0	111.2	L511 Q512 E513 M518 D519	L511-K515 WeakPolarHBondContact O-CB 3.46Å; L511-K515 PolarHBondContact O-N 2.76Å; Q512-K515 PolarHBondContact O-N 2.97Å; E513-K515 VanDerWaalsContact C-N 3.3Å; E513-K515 PolarHBondContact O-N 2.79Å; K515-M518 HydrophobicContact CG-CE 4.37Å; K515-M518 PolarHBondContact O-N 3.23Å; K515-D519 IonicContact NZ-OD1 2.75Å; K515-D519 PolarHBondContact NZ-OD1 2.67Å; K515-D519 IonicContact NZ-OD2 3.42Å; K515-D519 PolarHBondContact NZ-OD2 3.48Å; K515-D519 VanDerWaalsContact NZ-OD2 3.07Å; K515-D519 WeakPolarHBondContact O-CB 3.39Å; K515-D519 PolarHBondContact O-N 3.33Å
516	A	75.9	Confident	74.5	Confident	57 Å²	57	68.3 Å²	68.3	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-45.4	175.3	0	0	0	0	0	111.6	Q512 E513 M518 D519 Q520	Q512-A516 PolarHBondContact O-N 2.91Å; E513-A516 PolarHBondContact O-N 3.15Å; A516-M518 VanDerWaalsContact C-N 3.29Å; A516-M518 PolarHBondContact O-N 3.1Å; A516-D519 PolarHBondContact O-N 2.63Å; A516-Q520 WeakPolarHBondContact O-CB 3.46Å; A516-Q520 PolarHBondContact O-N 3.06Å
517	D	67.6	Low	72.4	Confident	65 Å²	65	72.3 Å²	72.3	35%	0.348	38%	0.383	S	S	.	.	H	α-helix	trans	-59	-40.4	175.1	-76.4	-1.3	0	0	0	112.4	E513 F521	E513-D517 PolarHBondContact O-N 3.38Å; D517-F521 WeakPolarHBondContact O-CB 3.32Å; D517-F521 PolarHBondContact O-N 3.42Å
518	M	67.4	Low	70.1	Confident	49 Å²	49	75.2 Å²	75.2	24%	0.241	40%	0.404	C	S	.	.	H	α-helix	trans	-69.2	-45.8	178.9	-176.3	-174.7	66.9	0	0	112	Q514 K515 A516 Q520 F521 L522	Q514-M518 PolarHBondContact O-N 3.18Å; K515-M518 HydrophobicContact CG-CE 4.37Å; K515-M518 PolarHBondContact O-N 3.23Å; A516-M518 VanDerWaalsContact C-N 3.29Å; A516-M518 PolarHBondContact O-N 3.1Å; M518-Q520 VanDerWaalsContact C-N 3.33Å; M518-F521 WeakPolarHBondContact O-CB 3.45Å; M518-F521 PolarHBondContact O-N 2.94Å; M518-F521 VanDerWaalsContact O-N 3.16Å; M518-L522 HydrophobicContact CG-CD1 4Å; M518-L522 HydrophobicContact CG-CG 4.32Å; M518-L522 WeakPolarHBondContact O-CG 3.41Å; M518-L522 PolarHBondContact O-N 3.13Å; M518-L522 HydrophobicContact SD-CD1 4.49Å
519	D	71.8	Confident	67.7	Low	72 Å²	72	81.5 Å²	81.5	39%	0.385	43%	0.432	S	S	.	.	H	α-helix	trans	-67.1	-38.3	-178.3	-69.5	-19.5	0	0	0	110	K515 A516 F521 L522 S523	K515-D519 IonicContact NZ-OD1 2.75Å; K515-D519 PolarHBondContact NZ-OD1 2.67Å; K515-D519 IonicContact NZ-OD2 3.42Å; K515-D519 PolarHBondContact NZ-OD2 3.48Å; K515-D519 VanDerWaalsContact NZ-OD2 3.07Å; K515-D519 WeakPolarHBondContact O-CB 3.39Å; K515-D519 PolarHBondContact O-N 3.33Å; A516-D519 PolarHBondContact O-N 2.63Å; D519-F521 VanDerWaalsContact C-N 3.34Å; D519-F521 PolarHBondContact O-N 3.21Å; D519-L522 PolarHBondContact O-N 2.87Å; D519-S523 WeakPolarHBondContact O-CB 3.47Å; D519-S523 PolarHBondContact O-N 2.89Å; D519-S523 PolarHBondContact O-OG 3.06Å
520	Q	74.3	Confident	65.2	Low	138 Å²	138	81.7 Å²	81.7	65%	0.645	44%	0.44	S	S	*	.	H	α-helix	trans	-59	-45.2	169.4	-177.5	176.2	4.1	0	0	111.4	A516 M518 S523 S524	A516-Q520 WeakPolarHBondContact O-CB 3.46Å; A516-Q520 PolarHBondContact O-N 3.06Å; M518-Q520 VanDerWaalsContact C-N 3.33Å; Q520-S523 PolarHBondContact O-N 3.32Å; Q520-S523 PolarHBondContact O-OG 2.99Å; Q520-S524 PolarHBondContact O-N 3.35Å
521	F	66.8	Low	62.6	Low	33 Å²	33	88 Å²	88	15%	0.145	47%	0.474	C	S	.	.	H	α-helix	trans	-64.2	-48.9	177.5	174.3	-101.4	0	0	0	113.4	V454 Q458 D517 M518 D519 S523 S524 I525	V454-F521 HydrophobicContact CB-CD1 4.34Å; V454-F521 HydrophobicContact CB-CE1 3.67Å; V454-F521 HydrophobicContact CB-CE2 3.87Å; V454-F521 HydrophobicContact CB-CZ 3.36Å; V454-F521 HydrophobicContact CG1-CD1 3.92Å; V454-F521 HydrophobicContact CG1-CD2 3.36Å; V454-F521 HydrophobicContact CG1-CE1 3.52Å; V454-F521 HydrophobicContact CG1-CE2 2.88Å; V454-F521 HydrophobicContact CG1-CG 3.82Å; V454-F521 HydrophobicContact CG1-CZ 2.94Å; V454-F521 HydrophobicContact CG2-CD1 3.71Å; V454-F521 HydrophobicContact CG2-CE1 3.1Å; V454-F521 HydrophobicContact CG2-CE2 4.24Å; V454-F521 HydrophobicContact CG2-CG 4.45Å; V454-F521 HydrophobicContact CG2-CZ 3.39Å; Q458-F521 HydrophobicContact CG-CE2 3.92Å; Q458-F521 HydrophobicContact CG-CZ 4.04Å; D517-F521 WeakPolarHBondContact O-CB 3.32Å; D517-F521 PolarHBondContact O-N 3.42Å; M518-F521 WeakPolarHBondContact O-CB 3.45Å; M518-F521 PolarHBondContact O-N 2.94Å; M518-F521 VanDerWaalsContact O-N 3.16Å; D519-F521 VanDerWaalsContact C-N 3.34Å; D519-F521 PolarHBondContact O-N 3.21Å; F521-S523 PolarHBondContact O-N 3.42Å; F521-S524 WeakPolarHBondContact O-CB 3.48Å; F521-S524 PolarHBondContact O-N 3.01Å; F521-S524 PolarHBondContact O-OG 3.3Å; F521-I525 HydrophobicContact CD1-CD1 4.18Å; F521-I525 HydrophobicContact CE1-CD1 3.18Å; F521-I525 HydrophobicContact CE1-CG1 3.99Å; F521-I525 HydrophobicContact CE2-CD1 4.12Å; F521-I525 HydrophobicContact CE2-CG1 4.21Å; F521-I525 HydrophobicContact CZ-CD1 3.18Å; F521-I525 HydrophobicContact CZ-CG1 3.75Å; F521-I525 PolarHBondContact O-N 3.27Å
522	L	65.8	Low	60.1	Low	80 Å²	80	92.5 Å²	92.5	42%	0.419	50%	0.502	S	S	.	.	H	α-helix	trans	-61.6	-35.8	179.5	-70.6	174	0	0	0	111.6	M518 D519 S524 I525 S526	M518-L522 HydrophobicContact CG-CD1 4Å; M518-L522 HydrophobicContact CG-CG 4.32Å; M518-L522 WeakPolarHBondContact O-CG 3.41Å; M518-L522 PolarHBondContact O-N 3.13Å; M518-L522 HydrophobicContact SD-CD1 4.49Å; D519-L522 PolarHBondContact O-N 2.87Å; L522-S524 VanDerWaalsContact C-N 3.35Å; L522-I525 PolarHBondContact O-N 3.15Å; L522-S526 PolarHBondContact O-N 3.34Å; L522-S526 VanDerWaalsContact O-N 3.07Å
523	S	67.8	Low	58	Low	62 Å²	62	92 Å²	92	43%	0.434	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-40.3	173.6	72.5	0	0	0	0	112.2	D519 Q520 F521 I525 S526 E527	D519-S523 WeakPolarHBondContact O-CB 3.47Å; D519-S523 PolarHBondContact O-N 2.89Å; D519-S523 PolarHBondContact O-OG 3.06Å; Q520-S523 PolarHBondContact O-N 3.32Å; Q520-S523 PolarHBondContact O-OG 2.99Å; F521-S523 PolarHBondContact O-N 3.42Å; S523-I525 VanDerWaalsContact C-N 3.3Å; S523-I525 PolarHBondContact O-N 3.07Å; S523-S526 PolarHBondContact O-N 3.31Å; S523-S526 VanDerWaalsContact O-N 3.15Å; S523-E527 PolarHBondContact O-N 3.01Å
524	S	59.8	Low	55.5	Low	52 Å²	52	91.5 Å²	91.5	36%	0.364	52%	0.515	S	S	.	.	H	α-helix	trans	-65.8	-28.2	176.7	77.3	0	0	0	0	114	Q458 Q520 F521 L522	Q458-S524 PolarHBondContact NE2-OG 3.47Å; Q458-S524 VanDerWaalsContact NE2-OG 3.1Å; Q520-S524 PolarHBondContact O-N 3.35Å; F521-S524 WeakPolarHBondContact O-CB 3.48Å; F521-S524 PolarHBondContact O-N 3.01Å; F521-S524 PolarHBondContact O-OG 3.3Å; L522-S524 VanDerWaalsContact C-N 3.35Å
525	I	56.6	Low	53.4	Low	43 Å²	43	96 Å²	96	22%	0.221	55%	0.547	C	S	.	.	H	α-helix	trans	-76.8	-37.6	172.9	-67.3	-176.9	0	0	0	111.2	Q458 F521 L522 S523 E527 S528	Q458-I525 HydrophobicContact CG-CD1 4.46Å; Q458-I525 HydrophobicContact CG-CG1 4.16Å; F521-I525 HydrophobicContact CD1-CD1 4.18Å; F521-I525 HydrophobicContact CE1-CD1 3.18Å; F521-I525 HydrophobicContact CE1-CG1 3.99Å; F521-I525 HydrophobicContact CE2-CD1 4.12Å; F521-I525 HydrophobicContact CE2-CG1 4.21Å; F521-I525 HydrophobicContact CZ-CD1 3.18Å; F521-I525 HydrophobicContact CZ-CG1 3.75Å; F521-I525 PolarHBondContact O-N 3.27Å; L522-I525 PolarHBondContact O-N 3.15Å; S523-I525 VanDerWaalsContact C-N 3.3Å; S523-I525 PolarHBondContact O-N 3.07Å; I525-E527 VanDerWaalsContact C-N 3.32Å; I525-E527 PolarHBondContact O-N 3.47Å; I525-S528 PolarHBondContact O-OG 3.25Å
526	S	54.3	Low	51.5	Low	96 Å²	96	96.2 Å²	96.2	67%	0.671	56%	0.563	S	S	*	*	H	α-helix	trans	-71	-28.4	-175.1	-167.4	0	0	0	0	112.7	L522 S523	L522-S526 PolarHBondContact O-N 3.34Å; L522-S526 VanDerWaalsContact O-N 3.07Å; S523-S526 PolarHBondContact O-N 3.31Å; S523-S526 VanDerWaalsContact O-N 3.15Å
527	E	45.8	Very low	49.3	Very low	172 Å²	172	102.2 Å²	102.2	80%	0.804	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-10.8	-179.6	-80.2	-175.7	150.1	0	0	114.4	S523 I525 Q529	S523-E527 PolarHBondContact O-N 3.01Å; I525-E527 VanDerWaalsContact C-N 3.32Å; I525-E527 PolarHBondContact O-N 3.47Å; E527-Q529 PolarHBondContact O-N 3.2Å
528	S	41.3	Very low	47.5	Very low	71 Å²	71	107.6 Å²	107.6	50%	0.497	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.7	19.1	-176.1	73.7	0	0	0	0	115.3	I525	I525-S528 PolarHBondContact O-OG 3.25Å
529	Q	36.3	Very low	45.5	Very low	157 Å²	157	110.9 Å²	110.9	73%	0.734	63%	0.632	S	S	*	*			trans	-97.7	120.6	169	-70.7	-166.5	2	0	0	110.7	E527	E527-Q529 PolarHBondContact O-N 3.2Å
530	P	36.6	Very low	43.4	Very low	116 Å²	116	113.1 Å²	113.1	75%	0.753	65%	0.648	S	S	*	*			trans	-69.5	133	166.5	28.5	-30.2	0	0	0	109.5	V532	P530-V532 PolarHBondContact O-N 3.46Å
531	D	32.7	Very low	41.4	Very low	156 Å²	156	115.5 Å²	115.5	83%	0.834	66%	0.659	S	S	*	*			trans	-29.7	104.5	175.3	-97.8	-39.8	0	0	0	113.9
532	V	30.2	Very low	39.5	Very low	124 Å²	124	119.9 Å²	119.9	75%	0.752	69%	0.688	S	S	*	*			trans	-106.2	98	149.9	178.8	0	0	0	0	105.5	P530 V534	P530-V532 PolarHBondContact O-N 3.46Å; V532-V534 HydrophobicContact CG1-CG2 4.41Å; V532-V534 PolarHBondContact O-N 3.18Å
533	T	39.5	Very low	37.8	Very low	129 Å²	129	121.5 Å²	121.5	79%	0.791	70%	0.704	S	S	*	*			trans	-51.8	105.2	173.8	49.4	0	0	0	0	110
534	V	29.1	Very low	36	Very low	126 Å²	126	125.2 Å²	125.2	76%	0.764	72%	0.724	S	S	*	*			trans	-113.9	119.7	162.4	179.4	0	0	0	0	107.1	V532 S536	V532-V534 HydrophobicContact CG1-CG2 4.41Å; V532-V534 PolarHBondContact O-N 3.18Å; V534-S536 PolarHBondContact O-N 2.92Å
535	S	26.9	Very low	34.6	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	75%	0.745	S	S	*	*			trans	-46.6	116	178.8	-168.1	0	0	0	0	111.5	E537	S535-E537 PolarHBondContact O-N 2.9Å
536	S	34.3	Very low	33.6	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	78%	0.777	S	S	*	*			trans	-73.1	112.6	169.4	49.5	0	0	0	0	110.1	V534	V534-S536 PolarHBondContact O-N 2.92Å
537	E	31.2	Very low	33	Very low	183 Å²	183	134.3 Å²	134.3	86%	0.855	78%	0.782	S	S	*	*			trans	-122.6	104.2	153.5	-76.1	-170.8	128.1	0	0	109.2	S535	S535-E537 PolarHBondContact O-N 2.9Å
538	E	30	Very low	32.3	Very low	179 Å²	179	135.6 Å²	135.6	84%	0.836	79%	0.785	S	S	*	*			trans	63.7	87	143.7	-145.8	168.3	132.9	0	0	118.4
539	S	25.8	Very low	31.9	Very low	118 Å²	118	136.4 Å²	136.4	83%	0.825	79%	0.788	S	S	*	*			trans	-112.1	122.4	145.4	44.8	0	0	0	0	108.4	E541	S539-E541 PolarHBondContact O-N 3.41Å
540	V	27.1	Very low	31.8	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.715	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-65.1	117.6	-178.8	171.6	0	0	0	0	109.2	V542	V540-V542 PolarHBondContact O-N 3.28Å
541	E	30.9	Very low	31.6	Very low	188 Å²	188	139.6 Å²	139.6	88%	0.879	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-62.1	124.2	169.3	-71.3	179.6	154.8	0	0	110.3	S539	S539-E541 PolarHBondContact O-N 3.41Å
542	V	26.8	Very low	31.5	Very low	125 Å²	125	136.8 Å²	136.8	76%	0.758	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-101.7	129.5	161.3	-179.2	0	0	0	0	106.5	V540 V544	V540-V542 PolarHBondContact O-N 3.28Å; V542-V544 PolarHBondContact O-N 2.76Å
543	P	31.8	Very low	31.5	Very low	114 Å²	114	138.2 Å²	138.2	74%	0.74	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-68.9	134.2	-172.6	26.3	-31.9	0	0	0	111.7	S545	P543-S545 PolarHBondContact O-N 3.39Å
544	V	30.1	Very low	30.9	Very low	141 Å²	141	139.9 Å²	139.9	86%	0.855	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-57.4	124.2	171	174.6	0	0	0	0	109.3	V542	V542-V544 PolarHBondContact O-N 2.76Å
545	S	30.5	Very low	30.8	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-96.8	118	171.5	0.9	0	0	0	0	109.1	P543	P543-S545 PolarHBondContact O-N 3.39Å
546	E	35.6	Very low	30.9	Very low	190 Å²	190	140.9 Å²	140.9	89%	0.888	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-64.4	140.8	174	-67.6	174.7	148.6	0	0	112.3
547	G	40.6	Very low	30.7	Very low	76 Å²	76	140.8 Å²	140.8	78%	0.784	77%	0.772	S	S	*	*			trans	70.3	80.7	147.4	0	0	0	0	0	118.8
548	K	30.2	Very low	30.6	Very low	199 Å²	199	141 Å²	141	87%	0.865	78%	0.777	S	S	*	*			trans	-131.3	137.1	155.2	-74.7	-179.8	-179	176	0	110.9
549	P	33.8	Very low	30.4	Very low	88 Å²	88	135.3 Å²	135.3	57%	0.571	77%	0.767	S	S	*	*			trans	-61.9	152.7	176.3	25.7	-32.4	0	0	0	110.6	D508 R551	D508-P549 WeakPolarHBondContact OD2-CB 3.47Å; P549-R551 PolarHBondContact O-N 3.43Å
550	Y	33.9	Very low	30.4	Very low	140 Å²	140	134.6 Å²	134.6	55%	0.549	77%	0.768	S	S	.	*			trans	-62.8	106.2	-177.4	-139.9	-92.6	0	0	0	108.8
551	R	32.8	Very low	30.4	Very low	201 Å²	201	139.3 Å²	139.3	76%	0.758	77%	0.773	S	S	*	*			trans	-127.8	132.6	166.7	-75.7	-168.1	-178.2	-176.3	0.8	108.4	P549	P549-R551 PolarHBondContact O-N 3.43Å
552	P	30.6	Very low	30.1	Very low	96 Å²	96	135.8 Å²	135.8	62%	0.623	77%	0.77	S	S	*	*			trans	-54.7	144.5	167.6	-22.6	32.6	0	0	0	111	Q554	P552-Q554 PolarHBondContact O-N 3.45Å; P552-Q554 VanDerWaalsContact O-N 3.12Å
553	I	30.7	Very low	30.2	Very low	155 Å²	155	136.5 Å²	136.5	80%	0.795	77%	0.765	S	S	*	*			trans	-48.7	112.7	-175.2	-61.6	164.4	0	0	0	111.1	V555	I553-V555 HydrophobicContact CG2-CG2 3.94Å
554	Q	26.6	Very low	30.5	Very low	163 Å²	163	137.1 Å²	137.1	76%	0.762	77%	0.769	S	S	*	*			trans	-86.3	108.5	159.9	-69.6	-161.5	1.4	0	0	108.6	P552 T556	P552-Q554 PolarHBondContact O-N 3.45Å; P552-Q554 VanDerWaalsContact O-N 3.12Å; Q554-T556 PolarHBondContact O-N 3.3Å
555	V	27	Very low	30.6	Very low	133 Å²	133	140.1 Å²	140.1	81%	0.806	77%	0.773	S	S	*	*			trans	-74.2	94.4	171.2	-164.2	0	0	0	0	108	I553 S557	I553-V555 HydrophobicContact CG2-CG2 3.94Å; V555-S557 PolarHBondContact O-N 2.99Å
556	T	28.5	Very low	30.4	Very low	122 Å²	122	138.2 Å²	138.2	75%	0.748	77%	0.772	S	S	*	*			trans	-60.5	121	161.1	30.4	0	0	0	0	108.8	Q554 L558	Q554-T556 PolarHBondContact O-N 3.3Å; T556-L558 PolarHBondContact O-N 3.28Å; T556-L558 VanDerWaalsContact O-N 3.16Å
557	S	29.7	Very low	29.9	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	77%	0.769	S	S	*	*			trans	-40.6	116.6	167.1	177	0	0	0	0	111	V555 G559	V555-S557 PolarHBondContact O-N 2.99Å; S557-G559 PolarHBondContact O-N 2.98Å; S557-G559 VanDerWaalsContact O-N 3.17Å
558	L	28.9	Very low	29.4	Very low	186 Å²	186	139.8 Å²	139.8	97%	0.974	77%	0.768	S	S	*	*			trans	-73.8	100.2	164.5	-86	164.1	0	0	0	108.2	T556	T556-L558 PolarHBondContact O-N 3.28Å; T556-L558 VanDerWaalsContact O-N 3.16Å
559	G	26.6	Very low	29.3	Very low	60 Å²	60	135.1 Å²	135.1	62%	0.619	76%	0.76	S	S	*	*			trans	-158.5	104.1	169.7	0	0	0	0	0	111.3	S557	S557-G559 PolarHBondContact O-N 2.98Å; S557-G559 VanDerWaalsContact O-N 3.17Å
560	A	26.6	Very low	29	Very low	103 Å²	103	138.7 Å²	138.7	85%	0.851	77%	0.774	S	S	*	*			trans	64.1	105.5	159.5	0	0	0	0	0	118.4	S562	A560-S562 PolarHBondContact O-N 2.9Å
561	R	25.5	Very low	28.7	Very low	217 Å²	217	137.2 Å²	137.2	82%	0.819	78%	0.784	S	S	*	*			trans	-71.6	115.1	161.4	-174.3	172.1	172.1	166.3	-3.8	109.3	E563	R561-E563 IonicContact CZ-OE1 3.34Å; R561-E563 IonicContact NE-OE1 2.66Å; R561-E563 PolarHBondContact NE-OE1 2.93Å; R561-E563 IonicContact NH2-OE1 3.48Å; R561-E563 PolarHBondContact NH2-OE1 3.3Å
562	S	25.5	Very low	29.3	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-102.4	120.1	163.6	55.2	0	0	0	0	109.1	A560	A560-S562 PolarHBondContact O-N 2.9Å
563	E	28.1	Very low	29.3	Very low	140 Å²	140	139.3 Å²	139.3	65%	0.654	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-103.2	153.1	165.7	-77	-160.5	178.1	0	0	111	R561	R561-E563 IonicContact CZ-OE1 3.34Å; R561-E563 IonicContact NE-OE1 2.66Å; R561-E563 PolarHBondContact NE-OE1 2.93Å; R561-E563 IonicContact NH2-OE1 3.48Å; R561-E563 PolarHBondContact NH2-OE1 3.3Å
564	P	39	Very low	29.2	Very low	127 Å²	127	136 Å²	136	83%	0.825	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-90.5	167.1	-162	36.1	-33.3	0	0	0	114.7
565	E	31.1	Very low	29.2	Very low	204 Å²	204	136.4 Å²	136.4	95%	0.953	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.4	149.2	-169.3	-59.6	178.3	127.4	0	0	116.9
566	G	26.4	Very low	29.5	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	78%	0.781	S	S	*	*			trans	167.3	79.6	163.2	0	0	0	0	0	117.8
567	D	24.9	Very low	29.6	Very low	155 Å²	155	141 Å²	141	83%	0.829	79%	0.786	S	S	*	*			trans	66.1	138.3	143.2	-104.1	-16.4	0	0	0	125.8
568	L	30.1	Very low	29.5	Very low	144 Å²	144	139 Å²	139	75%	0.754	78%	0.783	S	S	*	*			trans	85.7	101.7	150.9	-68.5	159.3	0	0	0	122.8
569	S	28.2	Very low	29.4	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	78%	0.777	S	S	*	*				80.8	128.5	126.4	70.2	0	0	0	0	123.1
570	D	28.2	Very low	29.4	Very low	164 Å²	164	136.9 Å²	136.9	88%	0.877	78%	0.78	S	S	*	*			trans	85	114.1	147.3	-71.3	-18.8	0	0	0	123
571	S	27.2	Very low	29.5	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	78%	0.782	S	S	*	*			trans	-71.8	179.5	156.4	-144.5	0	0	0	0	110.4
572	P	46.3	Very low	29.7	Very low	98 Å²	98	135.2 Å²	135.2	64%	0.636	78%	0.784	S	S	*	*			cis	-143.6	168.4	6.1	34	-11.1	0	0	0	116.8
573	R	30.4	Very low	29.7	Very low	244 Å²	244	132.8 Å²	132.8	92%	0.921	78%	0.777	S	S	*	*				171.7	140.1	112.5	-93.5	170.7	-171.6	169.5	5	114.5
574	A	28.9	Very low	29.8	Very low	84 Å²	84	133.7 Å²	133.7	69%	0.694	79%	0.786	S	S	*	*			trans	-73.3	160.9	176.2	0	0	0	0	0	114.2
575	F	26.7	Very low	29.2	Very low	173 Å²	173	134.4 Å²	134.4	76%	0.759	78%	0.783	S	S	*	*				-171.4	113.8	113.7	-120.7	-111.4	0	0	0	114
576	K	32.9	Very low	29	Very low	151 Å²	151	127.9 Å²	127.9	66%	0.657	77%	0.77	S	S	*	*			trans	58.2	129.1	132.2	-79.2	-172.7	-175.3	156.3	0	124.9
577	K	30.9	Very low	29	Very low	199 Å²	199	131.8 Å²	131.8	87%	0.865	77%	0.772	S	S	*	*			trans	76.6	132.6	131.6	-79.8	-178.2	169.2	-172.4	0	117.4
578	G	27.4	Very low	29	Very low	71 Å²	71	131.9 Å²	131.9	73%	0.732	77%	0.771	S	S	*	*			cis	154.9	148	0.3	0	0	0	0	0	111.8
579	S	27.1	Very low	28.8	Very low	119 Å²	119	128 Å²	128	83%	0.832	77%	0.766	S	S	*	*			trans	65.5	115.4	150.9	-130.5	0	0	0	0	118.9
580	A	25.4	Very low	28.6	Very low	84 Å²	84	128 Å²	128	69%	0.694	77%	0.772	S	S	*	*				63.4	131.5	68.2	0	0	0	0	0	112.3
581	M	30.1	Very low	28.5	Very low	180 Å²	180	128.8 Å²	128.8	89%	0.887	77%	0.77	S	S	*	*			cis	-170.6	163.1	34.7	-89.3	-148.3	173.6	0	0	112.1
582	A	28.2	Very low	28.5	Very low	104 Å²	104	130.4 Å²	130.4	86%	0.86	77%	0.766	S	S	*	*			trans	59.6	146.2	140.1	0	0	0	0	0	120.9
583	G	26.6	Very low	27.6	Very low	64 Å²	64	135.9 Å²	135.9	66%	0.66	77%	0.774	S	S	*	*			cis	164.6	167.4	2.8	0	0	0	0	0	110.3
584	L	29.2	Very low	27.5	Very low	160 Å²	160	130.5 Å²	130.5	84%	0.838	77%	0.768	S	S	*	*			trans	64.8	147.3	157.4	-62.8	158.6	0	0	0	117.1
585	D	27.2	Very low	27.5	Very low	142 Å²	142	134.7 Å²	134.7	76%	0.759	78%	0.777	S	S	*	*			cis	-161.3	145.1	1	-94.2	-36.8	0	0	0	103.3
586	G	26.5	Very low	27.4	Very low	67 Å²	67	133.2 Å²	133.2	69%	0.691	78%	0.777	S	S	*	*				98.3	117.1	67.7	0	0	0	0	0	112.4
587	L	27.3	Very low	27.2	Very low	156 Å²	156	131.5 Å²	131.5	82%	0.817	78%	0.784	S	S	*	*			trans	107	118	147.6	-54.3	174.4	0	0	0	121.3
588	I	24.8	Very low	27.2	Very low	157 Å²	157	131.2 Å²	131.2	81%	0.805	78%	0.783	S	S	*	*				59	129.8	126	-53.8	169.1	0	0	0	116.9
589	G	24.3	Very low	27.8	Very low	62 Å²	62	133.1 Å²	133.1	64%	0.639	78%	0.782	S	S	*	*			cis	141.9	141.8	17.5	0	0	0	0	0	107.9
590	A	25.7	Very low	27.8	Very low	100 Å²	100	136.8 Å²	136.8	83%	0.826	78%	0.783	S	S	*	*			trans	58.4	147	165.6	0	0	0	0	0	117.5
591	E	26.4	Very low	27.9	Very low	182 Å²	182	141.1 Å²	141.1	85%	0.85	79%	0.791	S	S	*	*			cis	-164.4	148.2	10.8	-119.8	176.1	168.7	0	0	107.9
592	E	25.6	Very low	27.7	Very low	142 Å²	142	136.3 Å²	136.3	66%	0.664	79%	0.788	S	S	*	*			trans	19.9	125.2	141.8	-143.2	-167.1	-153.8	0	0	121.8
593	R	28.8	Very low	27.8	Very low	213 Å²	213	139.3 Å²	139.3	80%	0.804	78%	0.784	S	S	*	*				164.9	118	109.8	-86.2	177.8	-171.1	172.4	4	115
594	V	28.3	Very low	27.8	Very low	131 Å²	131	144 Å²	144	79%	0.794	79%	0.794	S	S	*	*			trans	8.4	124.7	140.4	-175.4	0	0	0	0	118.6
595	I	28.7	Very low	27.8	Very low	171 Å²	171	142.8 Å²	142.8	88%	0.877	79%	0.788	S	S	*	*				-151.8	137	125.1	-48.3	-175.6	0	0	0	110.7
596	N	25	Very low	27.9	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	79%	0.793	S	S	*	*			trans	-79.3	142.7	178.7	-173.5	11.2	0	0	0	113.5
597	S	28.1	Very low	28	Very low	116 Å²	116	146.8 Å²	146.8	81%	0.811	80%	0.796	S	S	*	*			trans	-172.6	115.2	147.8	52	0	0	0	0	114.5
598	K	30	Very low	27.9	Very low	193 Å²	193	146.6 Å²	146.6	84%	0.839	80%	0.796	S	S	*	*			trans	-78.9	163.5	147.6	-98.4	-179.5	179.9	174.3	0	108.8
599	P	41.5	Very low	28	Very low	111 Å²	111	147 Å²	147	72%	0.721	80%	0.795	S	S	*	*				-159.3	-172	53.8	38.1	-12.7	0	0	0	119.2
600	K	25.7	Very low	28.3	Very low	195 Å²	195	149.8 Å²	149.8	85%	0.848	80%	0.804	S	S	*	*			trans	93.5	115	162.2	-60.8	-176.7	178.2	179.4	0	116.4
601	M	28.7	Very low	28.4	Very low	175 Å²	175	152.8 Å²	152.8	86%	0.862	81%	0.806	S	S	*	*			cis	89.7	122.2	39.1	-151.4	176.7	-153.6	0	0	113.4
602	G	25.3	Very low	28.6	Very low	79 Å²	79	152.2 Å²	152.2	81%	0.814	81%	0.808	S	S	*	*			trans	-176.3	103.9	172.2	0	0	0	0	0	109.5
603	E	29.9	Very low	28.8	Very low	168 Å²	168	150.9 Å²	150.9	79%	0.785	81%	0.81	S	S	*	*			trans	-92.8	148	174.7	-64.7	174.6	142.6	0	0	110.2
604	D	27	Very low	28.8	Very low	163 Å²	163	148.8 Å²	148.8	87%	0.872	81%	0.814	S	S	*	*			trans	-155.8	145.1	132.4	-146.4	-1.6	0	0	0	111.1
605	L	29.1	Very low	28.7	Very low	134 Å²	134	150.5 Å²	150.5	70%	0.702	81%	0.814	S	S	*	*			trans	-83.1	158.5	-171.8	-79	97.5	0	0	0	113.9
606	V	28.6	Very low	28.8	Very low	144 Å²	144	148.6 Å²	148.6	87%	0.873	81%	0.81	S	S	*	*				-172	137.7	118.6	168.3	0	0	0	0	109.6
607	I	29.2	Very low	28.8	Very low	148 Å²	148	147 Å²	147	76%	0.759	81%	0.805	S	S	*	*			trans	-91.2	141.8	176.6	-64.4	169.3	0	0	0	109.7
608	D	24.4	Very low	28.7	Very low	152 Å²	152	152.6 Å²	152.6	81%	0.813	81%	0.81	S	S	*	*			trans	-156.3	145.5	141.1	-155.5	10.3	0	0	0	113
609	E	28.2	Very low	28.6	Very low	167 Å²	167	148.9 Å²	148.9	78%	0.78	81%	0.808	S	S	*	*			trans	-72.2	151.3	176.9	-73.4	174.6	107.9	0	0	112.4
610	S	29.5	Very low	27.9	Very low	119 Å²	119	148.6 Å²	148.6	83%	0.832	82%	0.815	S	S	*	*			trans	-174.4	117.9	133.7	28.6	0	0	0	0	111.8
611	L	29.1	Very low	27.9	Very low	164 Å²	164	148.3 Å²	148.3	86%	0.859	82%	0.817	S	S	*	*			trans	-65.7	142.7	154.6	-70.6	158.8	0	0	0	108.7
612	D	30	Very low	27.9	Very low	170 Å²	170	151.3 Å²	151.3	91%	0.909	82%	0.818	S	S	*	*			trans	-132.2	120.7	158	-142.5	-1.8	0	0	0	109.8
613	V	30.1	Very low	27.9	Very low	114 Å²	114	154.4 Å²	154.4	69%	0.691	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-103	125.1	-175.5	168.2	0	0	0	0	106.4	E615	V613-E615 PolarHBondContact O-N 3.19Å
614	N	28.6	Very low	27.7	Very low	168 Å²	168	150.9 Å²	150.9	90%	0.898	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.8	116	171.1	-107	-5.8	0	0	0	110.2
615	E	26.7	Very low	27.6	Very low	168 Å²	168	149.5 Å²	149.5	79%	0.785	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.4	129.3	174.8	-177.1	-178.7	-174.7	0	0	111.1	V613	V613-E615 PolarHBondContact O-N 3.19Å
616	V	30.3	Very low	27.6	Very low	131 Å²	131	149.9 Å²	149.9	79%	0.794	81%	0.812	S	S	*	*			trans	-140.5	100.4	156.9	-155.8	0	0	0	0	110.8
617	V	25.6	Very low	27.7	Very low	108 Å²	108	151.7 Å²	151.7	66%	0.655	81%	0.811	S	S	*	*			trans	-5.2	121.1	153	-173.6	0	0	0	0	117.5
618	Y	25.3	Very low	27.5	Very low	234 Å²	234	147.8 Å²	147.8	92%	0.918	81%	0.807	S	S	*	*			trans	-111.9	122.9	155	-96.1	-89.1	0	0	0	110
619	S	26.8	Very low	27.8	Very low	114 Å²	114	149.1 Å²	149.1	80%	0.797	81%	0.814	S	S	*	*			trans	-91.2	128.4	167.9	-67.2	0	0	0	0	109.6
620	A	26.8	Very low	27.9	Very low	105 Å²	105	149.1 Å²	149.1	87%	0.868	82%	0.815	S	S	*	*			trans	-93.6	130.3	174.8	0	0	0	0	0	110.3
621	E	26.3	Very low	28	Very low	190 Å²	190	150.1 Å²	150.1	89%	0.888	81%	0.81	S	S	*	*			trans	-113.2	125.3	167.6	-166.7	153.2	179.1	0	0	109.4
622	R	29.1	Very low	28.7	Very low	237 Å²	237	147.9 Å²	147.9	89%	0.894	81%	0.805	S	S	*	*			trans	-97.5	143.4	175.9	-66.9	-176.9	-163.5	121.5	2.9	109.4
623	V	25.2	Very low	28.5	Very low	145 Å²	145	149.9 Å²	149.9	88%	0.879	80%	0.801	S	S	*	*			trans	-135.5	142.3	148.7	178.3	0	0	0	0	110.7
624	S	24.9	Very low	28.4	Very low	93 Å²	93	156 Å²	156	65%	0.65	81%	0.812	S	S	*	*			trans	-82.3	171.1	-160.5	-165.1	0	0	0	0	117.1
625	V	25.6	Very low	28.9	Very low	135 Å²	135	152.7 Å²	152.7	82%	0.818	80%	0.8	S	S	*	*			trans	138.7	136.8	136.8	173	0	0	0	0	111.3
626	M	29.2	Very low	29.3	Very low	141 Å²	141	153.3 Å²	153.3	70%	0.695	81%	0.807	S	S	*	*			cis	-179.2	155.9	-27.2	-103.2	-81.3	-171.6	0	0	108.5
627	H	30.2	Very low	29.4	Very low	182 Å²	182	149.8 Å²	149.8	84%	0.843	80%	0.797	S	S	*	*			trans	77	129	169.7	-52.9	94.3	0	0	0	117.8
628	G	26.3	Very low	30	Very low	67 Å²	67	153.4 Å²	153.4	69%	0.691	81%	0.807	S	S	*	*			cis	130.5	115.5	7.5	0	0	0	0	0	109.9
629	D	29.4	Very low	30.7	Very low	179 Å²	179	149.3 Å²	149.3	96%	0.957	80%	0.801	S	S	*	*			trans	-169.4	148	147.7	-97.7	-20	0	0	0	111.5
630	E	31.3	Very low	31	Very low	168 Å²	168	153 Å²	153	79%	0.785	80%	0.803	S	S	*	*			trans	-118	150.2	-146.3	-119.5	-172.3	150.1	0	0	114.1
631	L	31.9	Very low	31.8	Very low	139 Å²	139	154.2 Å²	154.2	73%	0.728	81%	0.805	S	S	*	*			trans	80.5	158.9	145.2	-63.6	169.6	0	0	0	122.9
632	P	42.5	Very low	32.7	Very low	117 Å²	117	151.6 Å²	151.6	76%	0.76	80%	0.796	S	S	*	*			cis	-136.7	167.7	-18.6	29.1	-6.6	0	0	0	117.5
633	Y	27.4	Very low	33.3	Very low	212 Å²	212	143.2 Å²	143.2	83%	0.831	78%	0.783	S	S	*	*			trans	-26.4	143.8	166.7	-94.4	-104.9	0	0	0	121.7
634	R	27.3	Very low	34.6	Very low	244 Å²	244	146.1 Å²	146.1	92%	0.921	78%	0.78	S	S	*	*				-158.9	137.8	116.8	-120.8	-171.4	-179.4	126.8	0.8	112.9
635	P	38.8	Very low	36.1	Very low	98 Å²	98	144.5 Å²	144.5	64%	0.636	77%	0.768	S	S	*	*			trans	-95.7	145.4	179.6	36.4	-27.8	0	0	0	111.3
636	L	35.9	Very low	37.6	Very low	180 Å²	180	144.3 Å²	144.3	94%	0.942	76%	0.763	S	S	*	*			trans	-121.5	116	157.7	-85.9	172.8	0	0	0	107.9
637	G	31.1	Very low	39	Very low	57 Å²	57	142.4 Å²	142.4	59%	0.588	76%	0.76	S	S	*	*			trans	-68.8	154.2	168.1	0	0	0	0	0	111.4
638	E	38.9	Very low	40.4	Very low	184 Å²	184	136.1 Å²	136.1	86%	0.86	74%	0.739	S	S	*	*				56.8	98.2	127.9	-55.7	176	-169.6	0	0	116
639	D	39.3	Very low	42.2	Very low	149 Å²	149	136.9 Å²	136.9	80%	0.797	73%	0.726	S	S	*	*				-180	114.9	119.5	-86	-27.3	0	0	0	108.8
640	F	32.7	Very low	44.1	Very low	190 Å²	190	133.3 Å²	133.3	83%	0.833	71%	0.706	S	S	*	*			trans	179.5	82.2	136.5	-96.5	-66.5	0	0	0	109	I642	F640-I642 HydrophobicContact CB-CG1 4.36Å; F640-I642 HydrophobicContact CD1-CG1 4.2Å; F640-I642 PolarHBondContact O-N 2.97Å; F640-I642 VanDerWaalsContact O-N 3.09Å
641	S	44.7	Very low	46	Very low	131 Å²	131	126.8 Å²	126.8	92%	0.916	68%	0.684	S	S	*	*			trans	-61.7	100.8	150.3	-76.8	0	0	0	0	108.2
642	I	45.5	Very low	48.1	Very low	136 Å²	136	125.5 Å²	125.5	70%	0.697	68%	0.678	S	S	*	*			trans	-97.2	107.4	163.8	-63.2	177.8	0	0	0	106.9	F640	F640-I642 HydrophobicContact CB-CG1 4.36Å; F640-I642 HydrophobicContact CD1-CG1 4.2Å; F640-I642 PolarHBondContact O-N 2.97Å; F640-I642 VanDerWaalsContact O-N 3.09Å
643	G	40.8	Very low	49.8	Very low	60 Å²	60	125.4 Å²	125.4	62%	0.619	67%	0.67	S	S	*	*			trans	-57.5	136.4	172.9	0	0	0	0	0	111.1	S645	G643-S645 PolarHBondContact O-N 3.32Å
644	Y	53.4	Low	52.4	Low	206 Å²	206	119.8 Å²	119.8	81%	0.808	66%	0.657	S	S	*	*			trans	-58.7	97.9	169.7	-82.8	-95.8	0	0	0	109.9
645	S	56.5	Low	55	Low	59 Å²	59	112.8 Å²	112.8	41%	0.413	64%	0.637	S	S	.	*			trans	-92.4	139.9	160.4	59.7	0	0	0	0	108.8	G643 T647 A648	G643-S645 PolarHBondContact O-N 3.32Å; S645-T647 PolarHBondContact O-N 3.26Å; S645-T647 PolarHBondContact OG-OG1 2.69Å; S645-A648 PolarHBondContact O-N 2.86Å
646	N	56.4	Low	57.1	Low	132 Å²	132	110.7 Å²	110.7	71%	0.706	63%	0.629	S	S	*	*	H	α-helix	trans	-53	-13.2	178.9	-67.9	-19.5	0	0	0	114.2	I650	N646-I650 VanDerWaalsContact O-CD1 3.26Å; N646-I650 WeakPolarHBondContact O-CD1 3.38Å; N646-I650 VanDerWaalsContact O-CG1 3.22Å; N646-I650 WeakPolarHBondContact O-CG1 3.44Å; N646-I650 PolarHBondContact O-N 3.38Å
647	T	58.1	Low	59.6	Low	101 Å²	101	106.5 Å²	106.5	62%	0.62	61%	0.61	S	S	*	*	H	α-helix	trans	-76.1	-30.4	173.9	50.2	0	0	0	0	114.1	S645 G651	S645-T647 PolarHBondContact O-N 3.26Å; S645-T647 PolarHBondContact OG-OG1 2.69Å; T647-G651 PolarHBondContact O-N 3.26Å; T647-G651 VanDerWaalsContact O-N 3.08Å
648	A	60.7	Low	62.2	Low	49 Å²	49	106.1 Å²	106.1	41%	0.405	60%	0.601	S	S	.	*	H	α-helix	trans	-74.1	-35.8	178.3	0	0	0	0	0	111.9	S645 G651 L652	S645-A648 PolarHBondContact O-N 2.86Å; A648-G651 PolarHBondContact O-N 2.95Å; A648-L652 PolarHBondContact O-N 3.41Å
649	L	62.6	Low	64.7	Low	83 Å²	83	102 Å²	102	44%	0.435	58%	0.584	S	S	.	*	H	α-helix	trans	-67.7	-38.2	173.8	-76.2	167.8	0	0	0	112	L652 L653	L649-L652 PolarHBondContact O-N 2.85Å; L649-L653 WeakPolarHBondContact O-CB 3.46Å; L649-L653 WeakPolarHBondContact O-CG 3.44Å; L649-L653 PolarHBondContact O-N 2.89Å
650	I	69.4	Low	67	Low	104 Å²	104	97.3 Å²	97.3	53%	0.533	57%	0.566	S	S	.	*	H	α-helix	trans	-65.9	-41.3	174.3	-65	164.8	0	0	0	110.3	N646 L653 V654	N646-I650 VanDerWaalsContact O-CD1 3.26Å; N646-I650 WeakPolarHBondContact O-CD1 3.38Å; N646-I650 VanDerWaalsContact O-CG1 3.22Å; N646-I650 WeakPolarHBondContact O-CG1 3.44Å; N646-I650 PolarHBondContact O-N 3.38Å; I650-L653 PolarHBondContact O-N 2.85Å; I650-V654 HydrophobicContact CG2-CG2 4.47Å; I650-V654 VanDerWaalsContact O-CG2 3.27Å; I650-V654 WeakPolarHBondContact O-CG2 3.46Å; I650-V654 PolarHBondContact O-N 3.44Å
651	G	72.9	Confident	69.6	Low	31 Å²	31	91.6 Å²	91.6	32%	0.32	55%	0.547	S	S	.	.	H	α-helix	trans	-60.4	-44.9	174.7	0	0	0	0	0	113	T647 A648 V654 I655	T647-G651 PolarHBondContact O-N 3.26Å; T647-G651 VanDerWaalsContact O-N 3.08Å; A648-G651 PolarHBondContact O-N 2.95Å; G651-V654 PolarHBondContact O-N 2.86Å; G651-I655 VanDerWaalsContact O-CG1 3.28Å; G651-I655 WeakPolarHBondContact O-CG1 3.37Å; G651-I655 PolarHBondContact O-N 3.25Å
652	L	75.5	Confident	71.7	Confident	113 Å²	113	89.6 Å²	89.6	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-66.2	-37.4	176.8	-76.1	173	0	0	0	112.9	A648 L649 I655 A656	A648-L652 PolarHBondContact O-N 3.41Å; L649-L652 PolarHBondContact O-N 2.85Å; L652-I655 PolarHBondContact O-N 2.9Å; L652-A656 WeakPolarHBondContact O-CB 3.48Å; L652-A656 PolarHBondContact O-N 3.43Å
653	L	78.1	Confident	73.8	Confident	114 Å²	114	87.4 Å²	87.4	60%	0.597	52%	0.518	S	S	*	.	H	α-helix	trans	-66	-39.4	174.6	-77.7	170.6	0	0	0	112	L649 I650 I655 A656 V657	L649-L653 WeakPolarHBondContact O-CB 3.46Å; L649-L653 WeakPolarHBondContact O-CG 3.44Å; L649-L653 PolarHBondContact O-N 2.89Å; I650-L653 PolarHBondContact O-N 2.85Å; L653-I655 VanDerWaalsContact C-N 3.34Å; L653-A656 PolarHBondContact O-N 2.66Å; L653-V657 WeakPolarHBondContact O-CB 3.18Å; L653-V657 VanDerWaalsContact O-CG2 3.26Å; L653-V657 WeakPolarHBondContact O-CG2 3.25Å; L653-V657 PolarHBondContact O-N 3.47Å
654	V	81	Confident	76.1	Confident	94 Å²	94	88.6 Å²	88.6	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-65.8	-39.2	176	173.8	0	0	0	0	110.9	I650 G651 V657 A658	I650-V654 HydrophobicContact CG2-CG2 4.47Å; I650-V654 VanDerWaalsContact O-CG2 3.27Å; I650-V654 WeakPolarHBondContact O-CG2 3.46Å; I650-V654 PolarHBondContact O-N 3.44Å; G651-V654 PolarHBondContact O-N 2.86Å; V654-V657 PolarHBondContact O-N 2.96Å; V654-A658 WeakPolarHBondContact O-CB 3.28Å; V654-A658 PolarHBondContact O-N 2.92Å
655	I	82.3	Confident	77.5	Confident	97 Å²	97	83.3 Å²	83.3	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-66.2	-42.4	174.8	-66.6	164.4	0	0	0	110.8	G651 L652 L653 V657 A658 I659	G651-I655 VanDerWaalsContact O-CG1 3.28Å; G651-I655 WeakPolarHBondContact O-CG1 3.37Å; G651-I655 PolarHBondContact O-N 3.25Å; L652-I655 PolarHBondContact O-N 2.9Å; L653-I655 VanDerWaalsContact C-N 3.34Å; I655-V657 PolarHBondContact O-N 3.42Å; I655-A658 PolarHBondContact O-N 3.24Å; I655-I659 HydrophobicContact CG2-CD1 3.83Å; I655-I659 HydrophobicContact CG2-CG1 4.47Å; I655-I659 VanDerWaalsContact O-CG1 3.3Å; I655-I659 WeakPolarHBondContact O-CG1 3.25Å; I655-I659 PolarHBondContact O-N 3.39Å
656	A	83	Confident	78.5	Confident	55 Å²	55	83 Å²	83	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-63.8	-40.5	177	0	0	0	0	0	112.2	L652 L653 I659 A660	L652-A656 WeakPolarHBondContact O-CB 3.48Å; L652-A656 PolarHBondContact O-N 3.43Å; L653-A656 PolarHBondContact O-N 2.66Å; A656-I659 PolarHBondContact O-N 3.29Å; A656-A660 VanDerWaalsContact O-CB 3.32Å; A656-A660 WeakPolarHBondContact O-CB 3.35Å; A656-A660 PolarHBondContact O-N 3.38Å
657	V	88.8	Confident	79.5	Confident	92 Å²	92	81 Å²	81	56%	0.558	48%	0.484	S	S	*	.	H	α-helix	trans	-67.9	-37.5	174.6	173	0	0	0	0	111.1	L653 V654 I655 A660 T661	L653-V657 WeakPolarHBondContact O-CB 3.18Å; L653-V657 VanDerWaalsContact O-CG2 3.26Å; L653-V657 WeakPolarHBondContact O-CG2 3.25Å; L653-V657 PolarHBondContact O-N 3.47Å; V654-V657 PolarHBondContact O-N 2.96Å; I655-V657 PolarHBondContact O-N 3.42Å; V657-A660 PolarHBondContact O-N 2.86Å; V657-T661 HydrophobicContact CG1-CG2 4.32Å; V657-T661 WeakPolarHBondContact O-CB 3.37Å; V657-T661 VanDerWaalsContact O-CG2 3.25Å; V657-T661 WeakPolarHBondContact O-CG2 3.25Å; V657-T661 PolarHBondContact O-N 3.3Å; V657-T661 PolarHBondContact O-OG1 3.43Å
658	A	86.6	Confident	80.4	Confident	48 Å²	48	79.8 Å²	79.8	40%	0.397	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-43	174.1	0	0	0	0	0	111.7	V654 I655 T661 V662	V654-A658 WeakPolarHBondContact O-CB 3.28Å; V654-A658 PolarHBondContact O-N 2.92Å; I655-A658 PolarHBondContact O-N 3.24Å; A658-T661 WeakPolarHBondContact CA-OG1 3.4Å; A658-T661 PolarHBondContact O-N 2.96Å; A658-T661 PolarHBondContact O-OG1 3.4Å; A658-V662 VanDerWaalsContact O-CG2 3.28Å; A658-V662 WeakPolarHBondContact O-CG2 3.32Å; A658-V662 PolarHBondContact O-N 3.32Å
659	I	90.4	Very high	80.7	Confident	98 Å²	98	82.3 Å²	82.3	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-66.1	-44.9	176	-66.5	166.1	0	0	0	110.5	I655 A656 T661 V662 I663	I655-I659 HydrophobicContact CG2-CD1 3.83Å; I655-I659 HydrophobicContact CG2-CG1 4.47Å; I655-I659 VanDerWaalsContact O-CG1 3.3Å; I655-I659 WeakPolarHBondContact O-CG1 3.25Å; I655-I659 PolarHBondContact O-N 3.39Å; A656-I659 PolarHBondContact O-N 3.29Å; I659-T661 VanDerWaalsContact C-N 3.33Å; I659-T661 PolarHBondContact O-N 2.85Å; I659-V662 PolarHBondContact O-N 3.15Å; I659-I663 HydrophobicContact CG2-CD1 3.71Å; I659-I663 HydrophobicContact CG2-CG1 4.37Å; I659-I663 WeakPolarHBondContact O-CB 3.26Å; I659-I663 VanDerWaalsContact O-CG1 3.26Å; I659-I663 WeakPolarHBondContact O-CG1 3.49Å; I659-I663 PolarHBondContact O-N 3.31Å
660	A	88.5	Confident	80.7	Confident	51 Å²	51	83.5 Å²	83.5	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-62.2	-39.5	177.7	0	0	0	0	0	112.2	A656 V657 I663 V664	A656-A660 VanDerWaalsContact O-CB 3.32Å; A656-A660 WeakPolarHBondContact O-CB 3.35Å; A656-A660 PolarHBondContact O-N 3.38Å; V657-A660 PolarHBondContact O-N 2.86Å; A660-I663 PolarHBondContact O-N 3.28Å; A660-V664 WeakPolarHBondContact O-CB 3.17Å; A660-V664 VanDerWaalsContact O-CG2 3.25Å; A660-V664 WeakPolarHBondContact O-CG2 3.38Å; A660-V664 PolarHBondContact O-N 2.98Å
661	T	85.8	Confident	80.2	Confident	69 Å²	69	87.3 Å²	87.3	42%	0.423	50%	0.497	S	S	.	.	H	α-helix	trans	-69.6	-38.6	176.2	50.4	0	0	0	0	112	V657 A658 I659 I663 V664 I665	V657-T661 HydrophobicContact CG1-CG2 4.32Å; V657-T661 WeakPolarHBondContact O-CB 3.37Å; V657-T661 VanDerWaalsContact O-CG2 3.25Å; V657-T661 WeakPolarHBondContact O-CG2 3.25Å; V657-T661 PolarHBondContact O-N 3.3Å; V657-T661 PolarHBondContact O-OG1 3.43Å; A658-T661 WeakPolarHBondContact CA-OG1 3.4Å; A658-T661 PolarHBondContact O-N 2.96Å; A658-T661 PolarHBondContact O-OG1 3.4Å; I659-T661 VanDerWaalsContact C-N 3.33Å; I659-T661 PolarHBondContact O-N 2.85Å; T661-I663 VanDerWaalsContact C-N 3.34Å; T661-V664 PolarHBondContact O-N 3.49Å; T661-I665 VanDerWaalsContact O-CB 3.28Å; T661-I665 WeakPolarHBondContact O-CB 3.39Å; T661-I665 WeakPolarHBondContact O-CD1 3.46Å; T661-I665 WeakPolarHBondContact O-CG1 3.24Å; T661-I665 PolarHBondContact O-N 2.91Å
662	V	89.4	Confident	79	Confident	89 Å²	89	93.4 Å²	93.4	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-64.7	-38.6	172.4	172.1	0	0	0	0	111.3	A658 I659 S666	A658-V662 VanDerWaalsContact O-CG2 3.28Å; A658-V662 WeakPolarHBondContact O-CG2 3.32Å; A658-V662 PolarHBondContact O-N 3.32Å; I659-V662 PolarHBondContact O-N 3.15Å; V662-S666 WeakPolarHBondContact O-CB 3.33Å; V662-S666 PolarHBondContact O-N 3.38Å; V662-S666 PolarHBondContact O-OG 2.89Å
663	I	89.4	Confident	77.3	Confident	90 Å²	90	98.7 Å²	98.7	46%	0.462	53%	0.526	S	S	.	.	H	α-helix	trans	-66.4	-44.4	175.1	-68.8	167.2	0	0	0	110.6	I659 A660 T661 S666 L667	I659-I663 HydrophobicContact CG2-CD1 3.71Å; I659-I663 HydrophobicContact CG2-CG1 4.37Å; I659-I663 WeakPolarHBondContact O-CB 3.26Å; I659-I663 VanDerWaalsContact O-CG1 3.26Å; I659-I663 WeakPolarHBondContact O-CG1 3.49Å; I659-I663 PolarHBondContact O-N 3.31Å; A660-I663 PolarHBondContact O-N 3.28Å; T661-I663 VanDerWaalsContact C-N 3.34Å; I663-S666 PolarHBondContact O-N 2.94Å; I663-L667 HydrophobicContact CG2-CD1 3.82Å; I663-L667 HydrophobicContact CG2-CG 4.3Å; I663-L667 VanDerWaalsContact O-CB 3.31Å; I663-L667 WeakPolarHBondContact O-CB 3.33Å; I663-L667 VanDerWaalsContact O-CG 3.25Å; I663-L667 WeakPolarHBondContact O-CG 3.47Å; I663-L667 PolarHBondContact O-N 3.5Å
664	V	88.6	Confident	75.7	Confident	85 Å²	85	100.6 Å²	100.6	52%	0.515	53%	0.532	S	S	.	.	H	α-helix	trans	-66	-41.8	177	171.2	0	0	0	0	111	A660 T661 L667 V668	A660-V664 WeakPolarHBondContact O-CB 3.17Å; A660-V664 VanDerWaalsContact O-CG2 3.25Å; A660-V664 WeakPolarHBondContact O-CG2 3.38Å; A660-V664 PolarHBondContact O-N 2.98Å; T661-V664 PolarHBondContact O-N 3.49Å; V664-L667 PolarHBondContact O-N 3.47Å; V664-V668 HydrophobicContact CG1-CG2 4.26Å; V664-V668 VanDerWaalsContact O-CB 3.28Å; V664-V668 WeakPolarHBondContact O-CB 3.38Å; V664-V668 WeakPolarHBondContact O-CG2 3.44Å; V664-V668 PolarHBondContact O-N 2.88Å
665	I	82.6	Confident	73.5	Confident	95 Å²	95	105.9 Å²	105.9	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-64.9	-41.6	174.8	-68.7	164.8	0	0	0	109.9	T661 V668 L669	T661-I665 VanDerWaalsContact O-CB 3.28Å; T661-I665 WeakPolarHBondContact O-CB 3.39Å; T661-I665 WeakPolarHBondContact O-CD1 3.46Å; T661-I665 WeakPolarHBondContact O-CG1 3.24Å; T661-I665 PolarHBondContact O-N 2.91Å; I665-V668 CarbonylContact O-C 3.59Å; I665-V668 PolarHBondContact O-N 3.41Å; I665-L669 HydrophobicContact CG2-CD1 3.78Å; I665-L669 HydrophobicContact CG2-CG 4.16Å; I665-L669 VanDerWaalsContact O-CB 3.23Å; I665-L669 WeakPolarHBondContact O-CB 3.46Å; I665-L669 WeakPolarHBondContact O-CG 3.33Å; I665-L669 PolarHBondContact O-N 2.89Å
666	S	78.4	Confident	71.2	Confident	53 Å²	53	104.1 Å²	104.1	37%	0.371	55%	0.549	S	S	.	.	H	α-helix	trans	-65.5	-40.5	175.8	-59.8	0	0	0	0	111.5	V662 I663 L669 L670	V662-S666 WeakPolarHBondContact O-CB 3.33Å; V662-S666 PolarHBondContact O-N 3.38Å; V662-S666 PolarHBondContact O-OG 2.89Å; I663-S666 PolarHBondContact O-N 2.94Å; S666-L669 CarbonylContact O-C 3.13Å; S666-L669 PolarHBondContact O-N 3.49Å; S666-L670 VanDerWaalsContact O-CB 3.23Å; S666-L670 WeakPolarHBondContact O-CB 3.38Å; S666-L670 WeakPolarHBondContact O-CD1 3.3Å; S666-L670 WeakPolarHBondContact O-CG 3.42Å; S666-L670 PolarHBondContact O-N 2.89Å
667	L	78.1	Confident	68.7	Low	91 Å²	91	107 Å²	107	48%	0.476	56%	0.561	S	S	.	*	H	α-helix	trans	-69.9	-34.2	174.9	-74	172	0	0	0	112.4	I663 V664 R671	I663-L667 HydrophobicContact CG2-CD1 3.82Å; I663-L667 HydrophobicContact CG2-CG 4.3Å; I663-L667 VanDerWaalsContact O-CB 3.31Å; I663-L667 WeakPolarHBondContact O-CB 3.33Å; I663-L667 VanDerWaalsContact O-CG 3.25Å; I663-L667 WeakPolarHBondContact O-CG 3.47Å; I663-L667 PolarHBondContact O-N 3.5Å; V664-L667 PolarHBondContact O-N 3.47Å; L667-R671 WeakPolarHBondContact O-CB 3.28Å; L667-R671 VanDerWaalsContact O-CG 3.29Å; L667-R671 WeakPolarHBondContact O-CG 3.36Å; L667-R671 PolarHBondContact O-N 3.46Å
668	V	75.5	Confident	65.9	Low	75 Å²	75	109.3 Å²	109.3	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-73.3	-35	173.6	169.3	0	0	0	0	110.7	V664 I665 R671 K672	V664-V668 HydrophobicContact CG1-CG2 4.26Å; V664-V668 VanDerWaalsContact O-CB 3.28Å; V664-V668 WeakPolarHBondContact O-CB 3.38Å; V664-V668 WeakPolarHBondContact O-CG2 3.44Å; V664-V668 PolarHBondContact O-N 2.88Å; I665-V668 CarbonylContact O-C 3.59Å; I665-V668 PolarHBondContact O-N 3.41Å; V668-R671 CarbonylContact O-C 3.6Å; V668-K672 WeakPolarHBondContact O-CB 3.27Å; V668-K672 PolarHBondContact O-N 2.86Å
669	L	67.6	Low	63.2	Low	101 Å²	101	111.8 Å²	111.8	53%	0.529	58%	0.583	S	S	.	*	H	α-helix	trans	-73.7	-34.2	173.3	-72	176	0	0	0	111.8	I665 S666 K672 R673	I665-L669 HydrophobicContact CG2-CD1 3.78Å; I665-L669 HydrophobicContact CG2-CG 4.16Å; I665-L669 VanDerWaalsContact O-CB 3.23Å; I665-L669 WeakPolarHBondContact O-CB 3.46Å; I665-L669 WeakPolarHBondContact O-CG 3.33Å; I665-L669 PolarHBondContact O-N 2.89Å; S666-L669 CarbonylContact O-C 3.13Å; S666-L669 PolarHBondContact O-N 3.49Å; L669-K672 CarbonylContact O-C 3.59Å; L669-K672 PolarHBondContact O-N 3.33Å; L669-R673 VanDerWaalsContact O-CB 3.27Å; L669-R673 WeakPolarHBondContact O-CB 3.26Å; L669-R673 PolarHBondContact O-N 3.34Å
670	L	62.8	Low	60.4	Low	108 Å²	108	113.4 Å²	113.4	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-69.9	-41.2	170.6	-73.7	166.3	0	0	0	110.8	S666 K672 R673 Q674	S666-L670 VanDerWaalsContact O-CB 3.23Å; S666-L670 WeakPolarHBondContact O-CB 3.38Å; S666-L670 WeakPolarHBondContact O-CD1 3.3Å; S666-L670 WeakPolarHBondContact O-CG 3.42Å; S666-L670 PolarHBondContact O-N 2.89Å; L670-K672 VanDerWaalsContact C-N 3.33Å; L670-K672 PolarHBondContact O-N 3.02Å; L670-R673 PolarHBondContact O-N 2.97Å; L670-Q674 PolarHBondContact O-N 2.8Å; L670-Q674 VanDerWaalsContact O-N 3.14Å
671	R	58.8	Low	57.5	Low	185 Å²	185	113.7 Å²	113.7	70%	0.698	60%	0.596	S	S	*	*	H	α-helix	trans	-66.5	-30.9	169.4	-78.7	-177.8	175.7	154.8	0.3	112.8	L667 V668 Y675	L667-R671 WeakPolarHBondContact O-CB 3.28Å; L667-R671 VanDerWaalsContact O-CG 3.29Å; L667-R671 WeakPolarHBondContact O-CG 3.36Å; L667-R671 PolarHBondContact O-N 3.46Å; V668-R671 CarbonylContact O-C 3.6Å; R671-Y675 VanDerWaalsContact O-CD2 3.28Å; R671-Y675 WeakPolarHBondContact O-CD2 3.46Å
672	K	47.9	Very low	54.8	Low	158 Å²	158	116.5 Å²	116.5	69%	0.687	61%	0.607	S	S	*	*	H	α-helix	trans	-78.5	-28.4	172.5	-101.4	-171.2	165.9	-174	0	112.8	V668 L669 L670 Q674 Y675	V668-K672 WeakPolarHBondContact O-CB 3.27Å; V668-K672 PolarHBondContact O-N 2.86Å; L669-K672 CarbonylContact O-C 3.59Å; L669-K672 PolarHBondContact O-N 3.33Å; L670-K672 VanDerWaalsContact C-N 3.33Å; L670-K672 PolarHBondContact O-N 3.02Å; K672-Q674 VanDerWaalsContact C-N 3.31Å; K672-Y675 PolarHBondContact O-N 3.37Å
673	R	39.9	Very low	52.2	Low	224 Å²	224	117.6 Å²	117.6	85%	0.845	61%	0.614	S	S	*	*	H	α-helix	trans	-79.1	-12	175.5	-107.7	-179.4	160.5	167.7	-6.8	113.3	L669 L670	L669-R673 VanDerWaalsContact O-CB 3.27Å; L669-R673 WeakPolarHBondContact O-CB 3.26Å; L669-R673 PolarHBondContact O-N 3.34Å; L670-R673 PolarHBondContact O-N 2.97Å
674	Q	43.5	Very low	49.5	Very low	154 Å²	154	120.8 Å²	120.8	72%	0.72	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	13.4	170.1	-74.3	-177.5	-28.7	0	0	114.3	L670 K672	L670-Q674 PolarHBondContact O-N 2.8Å; L670-Q674 VanDerWaalsContact O-N 3.14Å; K672-Q674 VanDerWaalsContact C-N 3.31Å
675	Y	36.5	Very low	47.1	Very low	205 Å²	205	120.9 Å²	120.9	80%	0.804	63%	0.627	S	S	*	*			trans	-118.6	46.3	166.2	-71.7	-73.7	0	0	0	111.8	R671 K672	R671-Y675 VanDerWaalsContact O-CD2 3.28Å; R671-Y675 WeakPolarHBondContact O-CD2 3.46Å; K672-Y675 PolarHBondContact O-N 3.37Å
676	G	33	Very low	44.6	Very low	61 Å²	61	121.8 Å²	121.8	63%	0.629	63%	0.633	S	S	*	*			trans	-115.3	57.4	157.6	0	0	0	0	0	108.9	I678	G676-I678 VanDerWaalsContact C-N 3.26Å; G676-I678 PolarHBondContact O-N 2.83Å
677	T	30.5	Very low	42.8	Very low	115 Å²	115	124.3 Å²	124.3	71%	0.706	65%	0.648	S	S	*	*			trans	-62.4	98.3	159.8	50.4	0	0	0	0	106	S679	T677-S679 PolarHBondContact O-N 3.36Å
678	I	29.6	Very low	40.8	Very low	141 Å²	141	127.8 Å²	127.8	72%	0.723	66%	0.664	S	S	*	*			trans	-62	91.4	153.2	-65.7	170.2	0	0	0	103.6	G676 H680	G676-I678 VanDerWaalsContact C-N 3.26Å; G676-I678 PolarHBondContact O-N 2.83Å; I678-H680 PolarHBondContact O-N 3.1Å
679	S	30.4	Very low	39.2	Very low	99 Å²	99	126.6 Å²	126.6	69%	0.692	66%	0.655	S	S	*	*			trans	-66.6	97.9	158.9	37.5	0	0	0	0	104	T677 G681	T677-S679 PolarHBondContact O-N 3.36Å; S679-G681 PolarHBondContact O-N 3.1Å
680	H	30.8	Very low	38.5	Very low	133 Å²	133	124.9 Å²	124.9	62%	0.616	65%	0.649	S	S	*	*			trans	-61.3	98	151.3	-98.1	-87.4	0	0	0	104.6	I678 I682	I678-H680 PolarHBondContact O-N 3.1Å; H680-I682 PolarHBondContact O-N 3.36Å; H680-I682 VanDerWaalsContact O-N 3.12Å
681	G	28.5	Very low	37.9	Very low	56 Å²	56	124.9 Å²	124.9	58%	0.577	66%	0.655	S	S	*	*			trans	-59.8	115.2	179	0	0	0	0	0	107.5	S679 V683	S679-G681 PolarHBondContact O-N 3.1Å; G681-V683 PolarHBondContact O-N 2.89Å
682	I	29.9	Very low	37.3	Very low	128 Å²	128	123.4 Å²	123.4	66%	0.656	66%	0.656	S	S	*	*			trans	-55.9	96.8	146.8	-70.2	164.6	0	0	0	105.1	H680 E684	H680-I682 PolarHBondContact O-N 3.36Å; H680-I682 VanDerWaalsContact O-N 3.12Å; I682-E684 HydrophobicContact CG2-CB 4.21Å; I682-E684 HydrophobicContact CG2-CG 3.61Å; I682-E684 PolarHBondContact O-N 3.05Å
683	V	34.9	Very low	37.8	Very low	112 Å²	112	120 Å²	120	68%	0.679	64%	0.643	S	S	*	*			trans	-83.5	87.7	152.8	179.5	0	0	0	0	103.8	G681 V685	G681-V683 PolarHBondContact O-N 2.89Å; V683-V685 HydrophobicContact CG1-CG2 3.91Å; V683-V685 PolarHBondContact O-N 3.31Å
684	E	32.7	Very low	38.6	Very low	158 Å²	158	117.7 Å²	117.7	74%	0.738	63%	0.634	S	S	*	*			trans	-60.8	99.7	154.9	-89.8	168.6	-169.7	0	0	105.7	I682 D686	I682-E684 HydrophobicContact CG2-CB 4.21Å; I682-E684 HydrophobicContact CG2-CG 3.61Å; I682-E684 PolarHBondContact O-N 3.05Å; E684-D686 VanDerWaalsContact C-N 3.35Å; E684-D686 PolarHBondContact O-N 3.35Å
685	V	36.5	Very low	39	Very low	86 Å²	86	116 Å²	116	52%	0.521	63%	0.626	S	S	.	*			trans	-67.9	104.1	168.2	-171.9	0	0	0	0	105.1	V683 P687 L689	V683-V685 HydrophobicContact CG1-CG2 3.91Å; V683-V685 PolarHBondContact O-N 3.31Å; V685-P687 WeakPolarHBondContact O-CD 3.26Å; V685-L689 HydrophobicContact CG1-CD1 3.52Å
686	D	30.2	Very low	40	Very low	114 Å²	114	110.9 Å²	110.9	61%	0.61	61%	0.612	S	S	*	*			trans	-50.1	123.2	174.1	-151.8	-15	0	0	0	108.8	E684 M688	E684-D686 VanDerWaalsContact C-N 3.35Å; E684-D686 PolarHBondContact O-N 3.35Å; D686-M688 PolarHBondContact O-N 3.26Å
687	P	41.8	Very low	41.2	Very low	106 Å²	106	110.3 Å²	110.3	69%	0.688	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	0.2	-175.3	-23.1	32.8	0	0	0	115.2	V685	V685-P687 WeakPolarHBondContact O-CD 3.26Å
688	M	35.7	Very low	42.2	Very low	164 Å²	164	111.7 Å²	111.7	81%	0.808	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	18.1	-173.4	-64.2	-136.4	81.8	0	0	115.3	D686 T690	D686-M688 PolarHBondContact O-N 3.26Å; M688-T690 PolarHBondContact O-N 2.83Å
689	L	42.1	Very low	43.3	Very low	50 Å²	50	107.7 Å²	107.7	26%	0.262	57%	0.57	S	S	.	*			trans	-63.7	126.6	174.1	-78.5	139.8	0	0	0	111.7	V685 E693	V685-L689 HydrophobicContact CG1-CD1 3.52Å; L689-E693 HydrophobicContact CB-CB 4.31Å; L689-E693 HydrophobicContact CD2-CB 3.34Å; L689-E693 HydrophobicContact CD2-CG 4.19Å; L689-E693 HydrophobicContact CG-CB 4.43Å
690	T	51.6	Low	44.7	Very low	66 Å²	66	110.1 Å²	110.1	41%	0.405	57%	0.57	S	S	.	*			trans	-62.5	157.6	175.7	60.3	0	0	0	0	110.7	M688 E692 E693 R694	M688-T690 PolarHBondContact O-N 2.83Å; T690-E692 PolarHBondContact O-N 3.27Å; T690-E693 PolarHBondContact N-OE2 3.07Å; T690-E693 PolarHBondContact O-N 2.93Å; T690-E693 VanDerWaalsContact OG1-CD 3.31Å; T690-E693 WeakPolarHBondContact OG1-CG 3.36Å; T690-E693 PolarHBondContact OG1-OE2 3.09Å; T690-R694 PolarHBondContact O-N 3.19Å
691	P	50.3	Low	45.4	Very low	107 Å²	107	109.7 Å²	109.7	70%	0.695	57%	0.572	S	S	*	*	H	α-helix	trans	-55.3	-28.8	-178.8	-24.1	32.8	0	0	0	113.7	H695	P691-H695 PolarHBondContact O-N 3.47Å; P691-H695 VanDerWaalsContact O-N 3.17Å
692	E	48	Very low	46.7	Very low	154 Å²	154	114.3 Å²	114.3	72%	0.72	58%	0.579	S	S	*	*	H	α-helix	trans	-73.5	-40.7	179.3	-61.3	-175.8	167.6	0	0	111.8	T690 H695 L696	T690-E692 PolarHBondContact O-N 3.27Å; E692-H695 WeakPolarHBondContact O-CB 3.36Å; E692-H695 PolarHBondContact O-N 3.1Å; E692-L696 PolarHBondContact O-N 3.4Å
693	E	58.1	Low	47.7	Very low	88 Å²	88	110.3 Å²	110.3	41%	0.411	57%	0.569	S	S	.	*	H	α-helix	trans	-73.8	-31.8	176.4	-63.5	165.2	139.1	0	0	111.7	L689 T690 H695 L696 N697	L689-E693 HydrophobicContact CB-CB 4.31Å; L689-E693 HydrophobicContact CD2-CB 3.34Å; L689-E693 HydrophobicContact CD2-CG 4.19Å; L689-E693 HydrophobicContact CG-CB 4.43Å; T690-E693 PolarHBondContact N-OE2 3.07Å; T690-E693 PolarHBondContact O-N 2.93Å; T690-E693 VanDerWaalsContact OG1-CD 3.31Å; T690-E693 WeakPolarHBondContact OG1-CG 3.36Å; T690-E693 PolarHBondContact OG1-OE2 3.09Å; E693-H695 VanDerWaalsContact C-N 3.27Å; E693-H695 PolarHBondContact O-N 3.23Å; E693-L696 PolarHBondContact O-N 3.48Å; E693-N697 WeakPolarHBondContact O-CB 3.48Å; E693-N697 PolarHBondContact O-N 3.44Å
694	R	57.2	Low	48.4	Very low	174 Å²	174	112.8 Å²	112.8	66%	0.657	57%	0.567	S	S	*	*	H	α-helix	trans	-61.7	-36.8	170	-154.8	-176	-67.5	-172.5	-3	111.4	T690 K698	T690-R694 PolarHBondContact O-N 3.19Å; R694-K698 VanDerWaalsContact O-CB 3.32Å; R694-K698 WeakPolarHBondContact O-CB 3.39Å; R694-K698 PolarHBondContact O-N 2.73Å; R694-K698 VanDerWaalsContact O-N 3.13Å
695	H	51.6	Low	49.5	Very low	119 Å²	119	111.8 Å²	111.8	55%	0.551	56%	0.562	S	S	*	*	H	α-helix	trans	-73	-40.4	175.6	-161	171.8	0	0	0	111.8	P691 E692 E693 K698 M699	P691-H695 PolarHBondContact O-N 3.47Å; P691-H695 VanDerWaalsContact O-N 3.17Å; E692-H695 WeakPolarHBondContact O-CB 3.36Å; E692-H695 PolarHBondContact O-N 3.1Å; E693-H695 VanDerWaalsContact C-N 3.27Å; E693-H695 PolarHBondContact O-N 3.23Å; H695-K698 PolarHBondContact O-N 3.02Å; H695-M699 WeakPolarHBondContact O-CB 3.41Å; H695-M699 WeakPolarHBondContact O-CG 3.45Å; H695-M699 PolarHBondContact O-N 3.14Å
696	L	57.3	Low	50.3	Low	98 Å²	98	110.7 Å²	110.7	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-64.1	-42.6	175.5	-80.4	162.4	0	0	0	112.5	E692 E693 K698 M699 Q700	E692-L696 PolarHBondContact O-N 3.4Å; E693-L696 PolarHBondContact O-N 3.48Å; L696-K698 VanDerWaalsContact C-N 3.34Å; L696-M699 HydrophobicContact CD2-CE 4.43Å; L696-M699 CarbonylContact O-C 3.55Å; L696-M699 PolarHBondContact O-N 3.03Å; L696-Q700 WeakPolarHBondContact O-CG 3.28Å; L696-Q700 PolarHBondContact O-N 3.05Å
697	N	57.1	Low	51.8	Low	49 Å²	49	109.3 Å²	109.3	26%	0.262	55%	0.551	S	S	.	*	H	α-helix	trans	-67.3	-37.4	177.8	-154.7	-11.1	0	0	0	111	E693 M699 Q700 N701	E693-N697 WeakPolarHBondContact O-CB 3.48Å; E693-N697 PolarHBondContact O-N 3.44Å; N697-M699 VanDerWaalsContact C-N 3.34Å; N697-M699 PolarHBondContact O-N 3.44Å; N697-Q700 PolarHBondContact O-N 3.14Å; N697-N701 PolarHBondContact O-N 2.99Å
698	K	51.3	Low	52.5	Low	144 Å²	144	108.3 Å²	108.3	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-64.4	-36.2	171.9	-155	171.5	-171.4	175.6	0	112.4	R694 H695 L696 H702	R694-K698 VanDerWaalsContact O-CB 3.32Å; R694-K698 WeakPolarHBondContact O-CB 3.39Å; R694-K698 PolarHBondContact O-N 2.73Å; R694-K698 VanDerWaalsContact O-N 3.13Å; H695-K698 PolarHBondContact O-N 3.02Å; L696-K698 VanDerWaalsContact C-N 3.34Å; K698-H702 PolarHBondContact O-N 3.43Å; K698-H702 PolarHBondContact O-ND1 2.95Å
699	M	53.9	Low	53.5	Low	56 Å²	56	107.9 Å²	107.9	28%	0.276	53%	0.533	S	S	.	.	H	α-helix	trans	-73.8	-28.8	173.9	-75.3	-165.1	-90	0	0	113.6	H695 L696 N697 G703 Y704	H695-M699 WeakPolarHBondContact O-CB 3.41Å; H695-M699 WeakPolarHBondContact O-CG 3.45Å; H695-M699 PolarHBondContact O-N 3.14Å; L696-M699 HydrophobicContact CD2-CE 4.43Å; L696-M699 CarbonylContact O-C 3.55Å; L696-M699 PolarHBondContact O-N 3.03Å; N697-M699 VanDerWaalsContact C-N 3.34Å; N697-M699 PolarHBondContact O-N 3.44Å; M699-G703 CarbonylContact O-C 3.57Å; M699-G703 VanDerWaalsContact O-CA 3.23Å; M699-G703 WeakPolarHBondContact O-CA 3.33Å; M699-G703 PolarHBondContact O-N 3.35Å; M699-G703 VanDerWaalsContact O-N 3.09Å; M699-Y704 HydrophobicContact SD-CD2 3.42Å; M699-Y704 WeakPolarHBondContact SD-CD2 3.47Å; M699-Y704 HydrophobicContact SD-CE2 3.69Å
700	Q	59.2	Low	54.2	Low	151 Å²	151	110.8 Å²	110.8	71%	0.706	54%	0.544	S	S	*	.	H	α-helix	trans	-74.8	-38.7	174.8	-77.7	177.2	-21	0	0	111.9	L696 N697	L696-Q700 WeakPolarHBondContact O-CG 3.28Å; L696-Q700 PolarHBondContact O-N 3.05Å; N697-Q700 PolarHBondContact O-N 3.14Å
701	N	45.8	Very low	54.7	Low	123 Å²	123	115.2 Å²	115.2	66%	0.658	55%	0.554	S	S	*	*	H	α-helix	trans	-79.4	-28.4	-178.8	-70.6	-11	0	0	0	114.1	N697	N697-N701 PolarHBondContact O-N 2.99Å
702	H	55.4	Low	55.4	Low	154 Å²	154	114.8 Å²	114.8	71%	0.713	55%	0.546	S	S	*	.	H	α-helix	trans	-110.6	-1.2	-178.2	-58.9	83.1	0	0	0	114	K698	K698-H702 PolarHBondContact O-N 3.43Å; K698-H702 PolarHBondContact O-ND1 2.95Å
703	G	50.3	Low	56.3	Low	43 Å²	43	113.4 Å²	113.4	44%	0.443	54%	0.539	S	S	.	.			trans	76.9	152	-172	0	0	0	0	0	113.3	M699 E705	M699-G703 CarbonylContact O-C 3.57Å; M699-G703 VanDerWaalsContact O-CA 3.23Å; M699-G703 WeakPolarHBondContact O-CA 3.33Å; M699-G703 PolarHBondContact O-N 3.35Å; M699-G703 VanDerWaalsContact O-N 3.09Å; G703-E705 PolarHBondContact O-N 3.37Å
704	Y	50.2	Low	56.5	Low	164 Å²	164	115.5 Å²	115.5	64%	0.643	55%	0.549	S	S	*	.			trans	-76.6	101.3	176.6	-175.6	-94.5	0	0	0	110.4	M699 N706	M699-Y704 HydrophobicContact SD-CD2 3.42Å; M699-Y704 WeakPolarHBondContact SD-CD2 3.47Å; M699-Y704 HydrophobicContact SD-CE2 3.69Å; Y704-N706 HydrophobicContact CE1-CB 4.32Å
705	E	55.6	Low	56.7	Low	137 Å²	137	113.7 Å²	113.7	64%	0.64	55%	0.55	S	S	*	.			trans	-87.5	113.5	172.5	-153.7	174.4	-134.8	0	0	109.3	G703 P707	G703-E705 PolarHBondContact O-N 3.37Å; E705-P707 WeakPolarHBondContact O-CD 3.48Å
706	N	52.8	Low	56.7	Low	63 Å²	63	116.2 Å²	116.2	34%	0.337	56%	0.562	S	S	.	*			trans	-62.4	118.3	-176.1	177.1	-15.9	0	0	0	110.2	Y704 T708 Y709	Y704-N706 HydrophobicContact CE1-CB 4.32Å; N706-T708 PolarHBondContact O-N 3.08Å; N706-T708 VanDerWaalsContact OD1-CB 3.25Å; N706-T708 WeakPolarHBondContact OD1-CB 3.37Å; N706-T708 PolarHBondContact OD1-N 3.47Å; N706-T708 PolarHBondContact OD1-OG1 2.9Å; N706-Y709 HydrophobicContact CB-CD2 3.93Å; N706-Y709 PolarHBondContact O-N 2.83Å
707	P	61.6	Low	56.1	Low	85 Å²	85	121.8 Å²	121.8	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-57.3	-24	-174.7	-23.4	31.3	0	0	0	114.2	E705 Y709 Y711	E705-P707 WeakPolarHBondContact O-CD 3.48Å; P707-Y709 VanDerWaalsContact C-N 3.33Å; P707-Y709 PolarHBondContact O-N 2.82Å; P707-Y711 PolarHBondContact O-N 3.41Å
708	T	57.3	Low	56	Low	86 Å²	86	125.4 Å²	125.4	53%	0.528	61%	0.606	S	S	.	*	H	α-helix	trans	-65.7	-35.5	178.7	-44.9	0	0	0	0	111.9	N706 L712	N706-T708 PolarHBondContact O-N 3.08Å; N706-T708 VanDerWaalsContact OD1-CB 3.25Å; N706-T708 WeakPolarHBondContact OD1-CB 3.37Å; N706-T708 PolarHBondContact OD1-N 3.47Å; N706-T708 PolarHBondContact OD1-OG1 2.9Å; T708-L712 HydrophobicContact CG2-CD1 4.45Å; T708-L712 VanDerWaalsContact O-CG 3.3Å; T708-L712 WeakPolarHBondContact O-CG 3.37Å; T708-L712 PolarHBondContact O-N 2.85Å
709	Y	56.3	Low	56.3	Low	154 Å²	154	124.4 Å²	124.4	60%	0.604	61%	0.605	S	S	*	*	H	α-helix	trans	-74.9	-39.2	-180	-78.8	-87.8	0	0	0	111.8	N706 P707 Y711 L712 E713	N706-Y709 HydrophobicContact CB-CD2 3.93Å; N706-Y709 PolarHBondContact O-N 2.83Å; P707-Y709 VanDerWaalsContact C-N 3.33Å; P707-Y709 PolarHBondContact O-N 2.82Å; Y709-Y711 VanDerWaalsContact C-N 3.28Å; Y709-Y711 PolarHBondContact O-N 3.1Å; Y709-L712 PolarHBondContact O-N 3.39Å; Y709-E713 PolarHBondContact O-N 3.13Å
710	K	57.9	Low	56.4	Low	112 Å²	112	128.2 Å²	128.2	49%	0.487	62%	0.623	S	S	.	*	H	α-helix	trans	-61.8	-35.6	175.4	-164.5	168.7	-169.6	156.8	0	112.8	Q714	K710-Q714 WeakPolarHBondContact O-CG 3.22Å; K710-Q714 PolarHBondContact O-N 2.91Å; K710-Q714 VanDerWaalsContact O-N 3.14Å
711	Y	62.4	Low	56.3	Low	159 Å²	159	126.9 Å²	126.9	62%	0.624	62%	0.618	S	S	*	*	H	α-helix	trans	-69.7	-32.7	174.5	-157.8	-92.8	0	0	0	112.5	P707 Y709 M715	P707-Y711 PolarHBondContact O-N 3.41Å; Y709-Y711 VanDerWaalsContact C-N 3.28Å; Y709-Y711 PolarHBondContact O-N 3.1Å; Y711-M715 HydrophobicContact CE1-CE 4.47Å; Y711-M715 WeakPolarHBondContact O-CG 3.47Å; Y711-M715 PolarHBondContact O-N 3.12Å
712	L	64.4	Low	56.9	Low	98 Å²	98	127.1 Å²	127.1	51%	0.513	62%	0.616	S	S	.	*	H	α-helix	trans	-77.5	-35	177.6	-69.4	168.7	0	0	0	112.3	T708 Y709 M715	T708-L712 HydrophobicContact CG2-CD1 4.45Å; T708-L712 VanDerWaalsContact O-CG 3.3Å; T708-L712 WeakPolarHBondContact O-CG 3.37Å; T708-L712 PolarHBondContact O-N 2.85Å; Y709-L712 PolarHBondContact O-N 3.39Å; L712-M715 PolarHBondContact O-N 2.92Å
713	E	66.7	Low	57	Low	125 Å²	125	125.3 Å²	125.3	58%	0.584	61%	0.61	S	S	*	*	H	α-helix	trans	-67.4	-38.5	173.5	-76.7	-178.6	164.8	0	0	112.3	Y709 M715 Q716	Y709-E713 PolarHBondContact O-N 3.13Å; E713-M715 PolarHBondContact O-N 3.33Å; E713-Q716 PolarHBondContact O-N 3.09Å; E713-Q716 VanDerWaalsContact O-N 3.15Å
714	Q	63.3	Low	57.5	Low	132 Å²	132	131.2 Å²	131.2	62%	0.617	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-18.5	175	-78.5	-179.5	-19.1	0	0	113.8	K710	K710-Q714 WeakPolarHBondContact O-CG 3.22Å; K710-Q714 PolarHBondContact O-N 2.91Å; K710-Q714 VanDerWaalsContact O-N 3.14Å
715	M	60.3	Low	58.1	Low	136 Å²	136	128.7 Å²	128.7	67%	0.67	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-1.6	174.8	-70.3	-127.1	-76.4	0	0	113.6	Y711 L712 E713	Y711-M715 HydrophobicContact CE1-CE 4.47Å; Y711-M715 WeakPolarHBondContact O-CG 3.47Å; Y711-M715 PolarHBondContact O-N 3.12Å; L712-M715 PolarHBondContact O-N 2.92Å; E713-M715 PolarHBondContact O-N 3.33Å
716	Q	51.8	Low	58.3	Low	172 Å²	172	128 Å²	128	80%	0.804	62%	0.618	S	S	*	*			trans	-101.9	7.6	176.6	-95.1	-179.9	-19.7	0	0	114.4	E713	E713-Q716 PolarHBondContact O-N 3.09Å; E713-Q716 VanDerWaalsContact O-N 3.15Å
717	I	44.4	Very low	58.8	Low	214 Å²	214	133.9 Å²	133.9	100%	1.097	64%	0.644	S	S	*	*			trans	-101.6	0	170.2	-58	177.7	0	0	0	110.3

Retrieved 717 of 717 residues in 182.1 ms (Link to these results)

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