G4LW45_SCHMA Loading...

MPN domain-containing protein

AlphaFold DB , UniProt , Accession G4LW45, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 158 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	37.4	Very low	34.8	Very low	241 Å²	241	143.5 Å²	143.5	100%	1.187	79%	0.793	S	S	*	*				0	108.7	0	-73.1	-169.9	135.6	0	0	108
2	P	33.9	Very low	34.7	Very low	128 Å²	128	140.7 Å²	140.7	83%	0.831	77%	0.774	S	S	*	*			trans	-104.9	140	176.4	30.7	-16.7	0	0	0	112.3
3	T	31.9	Very low	34.6	Very low	135 Å²	135	139 Å²	139	83%	0.828	77%	0.774	S	S	*	*			trans	-52.4	128.2	179.8	-46.7	0	0	0	0	113.6	M5	T3-M5 PolarHBondContact O-N 3.14Å
4	V	37.9	Very low	34.7	Very low	120 Å²	120	135.1 Å²	135.1	73%	0.727	75%	0.748	S	S	*	*			trans	-83.4	109.1	165.6	179	0	0	0	0	107.9	T6	V4-T6 HydrophobicContact CG1-CG2 4.04Å; V4-T6 PolarHBondContact O-N 2.9Å
5	M	32.6	Very low	34.8	Very low	180 Å²	180	140.6 Å²	140.6	89%	0.887	75%	0.753	S	S	*	*			trans	-70	100.2	162.2	-88.9	-169.1	-86.4	0	0	108.2	T3 S7	T3-M5 PolarHBondContact O-N 3.14Å; M5-S7 PolarHBondContact O-N 2.97Å
6	T	37.7	Very low	35	Very low	107 Å²	107	138.6 Å²	138.6	66%	0.656	74%	0.736	S	S	*	*			trans	-79.5	106.8	163.7	51.3	0	0	0	0	107.8	V4 N8	V4-T6 HydrophobicContact CG1-CG2 4.04Å; V4-T6 PolarHBondContact O-N 2.9Å; T6-N8 PolarHBondContact O-N 3.22Å; T6-N8 VanDerWaalsContact O-N 3.16Å
7	S	33.9	Very low	35.2	Very low	79 Å²	79	140.9 Å²	140.9	55%	0.552	74%	0.741	S	S	*	*			trans	-59.2	112.7	170.6	-176.1	0	0	0	0	109.5	M5 Y9	M5-S7 PolarHBondContact O-N 2.97Å; S7-Y9 VanDerWaalsContact C-N 3.27Å; S7-Y9 PolarHBondContact O-N 3.09Å; S7-Y9 VanDerWaalsContact OG-CD2 3.23Å; S7-Y9 WeakPolarHBondContact OG-CD2 3.44Å; S7-Y9 WeakPolarHBondContact OG-CE2 3.21Å
8	N	33.2	Very low	35.4	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	73%	0.731	S	S	*	*			trans	-75.9	78.8	172.1	-69	-24.9	0	0	0	109	T6 T10	T6-N8 PolarHBondContact O-N 3.22Å; T6-N8 VanDerWaalsContact O-N 3.16Å; N8-T10 PolarHBondContact O-N 3.27Å; N8-T10 VanDerWaalsContact O-N 3.08Å
9	Y	36.3	Very low	35.5	Very low	202 Å²	202	135.2 Å²	135.2	79%	0.792	71%	0.712	S	S	*	*			trans	-78	81.6	157.5	-66.3	-74.3	0	0	0	107.2	S7 T11	S7-Y9 VanDerWaalsContact C-N 3.27Å; S7-Y9 PolarHBondContact O-N 3.09Å; S7-Y9 VanDerWaalsContact OG-CD2 3.23Å; S7-Y9 WeakPolarHBondContact OG-CD2 3.44Å; S7-Y9 WeakPolarHBondContact OG-CE2 3.21Å; Y9-T11 PolarHBondContact O-N 3.27Å
10	T	34.2	Very low	35.4	Very low	118 Å²	118	135.1 Å²	135.1	72%	0.724	71%	0.711	S	S	*	*			trans	-53.8	112.8	166.4	21.7	0	0	0	0	108.1	N8 I12	N8-T10 PolarHBondContact O-N 3.27Å; N8-T10 VanDerWaalsContact O-N 3.08Å; T10-I12 PolarHBondContact O-N 3.36Å
11	T	33.4	Very low	35.3	Very low	131 Å²	131	130.9 Å²	130.9	80%	0.804	70%	0.7	S	S	*	*			trans	-51.9	96.9	169.6	-53.3	0	0	0	0	108.7	Y9 P13	Y9-T11 PolarHBondContact O-N 3.27Å; T11-P13 VanDerWaalsContact O-CD 3.26Å; T11-P13 WeakPolarHBondContact O-CD 3.35Å
12	I	34.3	Very low	35.2	Very low	110 Å²	110	126.6 Å²	126.6	56%	0.564	69%	0.687	S	S	*	*			trans	-77.1	112.4	167.8	-58.9	176.3	0	0	0	105.6	T10 M14	T10-I12 PolarHBondContact O-N 3.36Å; I12-M14 HydrophobicContact CG2-CG 4Å; I12-M14 PolarHBondContact O-N 3.07Å
13	P	32.4	Very low	35.6	Very low	119 Å²	119	123.4 Å²	123.4	77%	0.773	66%	0.659	S	S	*	*			trans	-78.9	73.8	176.3	33.2	-29.5	0	0	0	108	T11 R15	T11-P13 VanDerWaalsContact O-CD 3.26Å; T11-P13 WeakPolarHBondContact O-CD 3.35Å; P13-R15 PolarHBondContact O-N 3.46Å
14	M	36.3	Very low	36.3	Very low	85 Å²	85	122 Å²	122	42%	0.419	65%	0.647	S	S	.	*			trans	-70.2	113.3	165.4	-87	-145.9	-79.5	0	0	108.4	I12 F16 T89	I12-M14 HydrophobicContact CG2-CG 4Å; I12-M14 PolarHBondContact O-N 3.07Å; M14-F16 HydrophobicContact CB-CD2 4.02Å; M14-F16 HydrophobicContact CE-CD2 4.3Å; M14-F16 HydrophobicContact CE-CE2 3.92Å; M14-F16 PolarHBondContact O-N 2.85Å; M14-F16 HydrophobicContact SD-CD2 4.06Å; M14-F16 HydrophobicContact SD-CE2 3.64Å; M14-T89 HydrophobicContact CE-CG2 3.3Å; M14-T89 HydrophobicContact CG-CG2 4.27Å; M14-T89 HydrophobicContact SD-CG2 3.29Å; M14-T89 WeakPolarHBondContact SD-CG2 3.11Å
15	R	36.5	Very low	36.7	Very low	217 Å²	217	124.7 Å²	124.7	82%	0.819	65%	0.651	S	S	*	*			trans	-63.5	60	167.2	-94.8	179.4	161.2	170.1	-5	111	P13 D64	P13-R15 PolarHBondContact O-N 3.46Å; R15-D64 IonicContact NH1-OD2 3.35Å
16	F	37.7	Very low	37.5	Very low	108 Å²	108	121 Å²	121	47%	0.474	64%	0.635	S	S	.	*			trans	-77.5	-2.6	155.5	-86.4	-78.9	0	0	0	111.3	M14 S18 Y19	M14-F16 HydrophobicContact CB-CD2 4.02Å; M14-F16 HydrophobicContact CE-CD2 4.3Å; M14-F16 HydrophobicContact CE-CE2 3.92Å; M14-F16 PolarHBondContact O-N 2.85Å; M14-F16 HydrophobicContact SD-CD2 4.06Å; M14-F16 HydrophobicContact SD-CE2 3.64Å; F16-S18 PolarHBondContact O-N 2.87Å; F16-Y19 HydrophobicContact CD1-CD2 4.18Å; F16-Y19 AromaticContact CD1-CE2 3.78Å; F16-Y19 HydrophobicContact CD1-CE2 3.78Å; F16-Y19 HydrophobicContact CE1-CE2 4.25Å; F16-Y19 WeakPolarHBondContact O-CD2 3.46Å
17	H	38.8	Very low	37.6	Very low	178 Å²	178	118.3 Å²	118.3	82%	0.824	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	20.3	-179.1	-99.5	-96.9	0	0	0	116.1
18	S	38.8	Very low	38	Very low	80 Å²	80	118.2 Å²	118.2	56%	0.559	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-4.3	168.7	85.1	0	0	0	0	114.8	F16 L20	F16-S18 PolarHBondContact O-N 2.87Å; S18-L20 PolarHBondContact O-N 3.14Å
19	Y	37.2	Very low	38.6	Very low	94 Å²	94	117.8 Å²	117.8	37%	0.369	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.5	7.6	-177.7	-83.7	-83.9	0	0	0	116.1	F16 Y23	F16-Y19 HydrophobicContact CD1-CD2 4.18Å; F16-Y19 AromaticContact CD1-CE2 3.78Å; F16-Y19 HydrophobicContact CD1-CE2 3.78Å; F16-Y19 HydrophobicContact CE1-CE2 4.25Å; F16-Y19 WeakPolarHBondContact O-CD2 3.46Å; Y19-Y23 HydrophobicContact CD1-CE2 4.28Å; Y19-Y23 AromaticContact CD1-CZ 3.88Å; Y19-Y23 WeakPolarHBondContact CD1-OH 3.15Å; Y19-Y23 WeakPolarHBondContact CE1-OH 3.04Å
20	L	32.8	Very low	39	Very low	132 Å²	132	113.4 Å²	113.4	69%	0.691	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	25	-172.3	-67.1	176.7	0	0	0	115.6	S18	S18-L20 PolarHBondContact O-N 3.14Å
21	G	33.6	Very low	39.4	Very low	48 Å²	48	109 Å²	109	50%	0.495	56%	0.562	S	S	.	*	S	Bend	trans	-136.7	114.9	172.8	0	0	0	0	0	112.4	Y23	G21-Y23 PolarHBondContact O-N 3.01Å
22	V	36.2	Very low	40	Very low	151 Å²	151	108.8 Å²	108.8	92%	0.915	55%	0.55	S	S	*	.			trans	30.4	87.3	160.5	-162.3	0	0	0	0	115.7	D24	V22-D24 PolarHBondContact O-N 2.7Å
23	Y	41.7	Very low	40.3	Very low	61 Å²	61	108.6 Å²	108.6	24%	0.239	55%	0.549	C	S	.	.			trans	-79.1	112.6	175.4	-88.6	-98.7	0	0	0	112	Y19 G21 Q27 D31	Y19-Y23 HydrophobicContact CD1-CE2 4.28Å; Y19-Y23 AromaticContact CD1-CZ 3.88Å; Y19-Y23 WeakPolarHBondContact CD1-OH 3.15Å; Y19-Y23 WeakPolarHBondContact CE1-OH 3.04Å; G21-Y23 PolarHBondContact O-N 3.01Å; Y23-Q27 HydrophobicContact CD1-CB 3.69Å; Y23-Q27 HydrophobicContact CD1-CG 3.57Å; Y23-Q27 HydrophobicContact CE1-CB 3.99Å; Y23-Q27 HydrophobicContact CE1-CG 3.34Å; Y23-D31 WeakPolarHBondContact CE1-OD2 3.36Å; Y23-D31 PolarHBondContact OH-OD2 2.88Å
24	D	45.9	Very low	41.2	Very low	105 Å²	105	108 Å²	108	56%	0.561	54%	0.535	S	S	*	.			trans	-78.7	151.8	161.2	-158.4	-62.5	0	0	0	109.6	V22 D26 Q27	V22-D24 PolarHBondContact O-N 2.7Å; D24-D26 PolarHBondContact O-N 2.93Å; D24-D26 PolarHBondContact OD1-N 3.17Å; D24-Q27 WeakPolarHBondContact O-CB 3.17Å; D24-Q27 PolarHBondContact O-N 3.41Å
25	E	47.9	Very low	41.6	Very low	176 Å²	176	105.8 Å²	105.8	82%	0.822	53%	0.526	S	S	*	.	H	α-helix	trans	-60	-29.5	179.9	-70.1	-157.3	159.1	0	0	112	Q27 V28 E29	E25-Q27 PolarHBondContact O-N 3.11Å; E25-Q27 VanDerWaalsContact O-N 3.12Å; E25-V28 PolarHBondContact O-N 3.12Å; E25-V28 VanDerWaalsContact O-N 3.09Å; E25-E29 PolarHBondContact O-N 3.27Å
26	D	49	Very low	42	Very low	102 Å²	102	99.3 Å²	99.3	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-55.7	-28.3	172.7	-74.1	-15.1	0	0	0	113	D24 K30	D24-D26 PolarHBondContact O-N 2.93Å; D24-D26 PolarHBondContact OD1-N 3.17Å; D26-K30 WeakPolarHBondContact O-CG 3.31Å; D26-K30 PolarHBondContact O-N 3.48Å
27	Q	40.1	Very low	42.5	Very low	52 Å²	52	95.5 Å²	95.5	24%	0.243	49%	0.494	C	S	.	.	H	α-helix	trans	-78.9	-28.7	-178.2	-166.3	59.6	52.5	0	0	112	Y23 D24 E25 E29 K30 D31	Y23-Q27 HydrophobicContact CD1-CB 3.69Å; Y23-Q27 HydrophobicContact CD1-CG 3.57Å; Y23-Q27 HydrophobicContact CE1-CB 3.99Å; Y23-Q27 HydrophobicContact CE1-CG 3.34Å; D24-Q27 WeakPolarHBondContact O-CB 3.17Å; D24-Q27 PolarHBondContact O-N 3.41Å; E25-Q27 PolarHBondContact O-N 3.11Å; E25-Q27 VanDerWaalsContact O-N 3.12Å; Q27-E29 VanDerWaalsContact C-N 3.34Å; Q27-K30 PolarHBondContact O-N 2.71Å; Q27-D31 PolarHBondContact NE2-OD1 3.33Å; Q27-D31 WeakPolarHBondContact O-CB 3.48Å; Q27-D31 PolarHBondContact O-N 3Å
28	V	42.6	Very low	43.1	Very low	76 Å²	76	88.8 Å²	88.8	46%	0.461	46%	0.464	S	S	.	.	H	α-helix	trans	-67.9	-39.2	172.7	175.6	0	0	0	0	110.3	E25 D31 K32	E25-V28 PolarHBondContact O-N 3.12Å; E25-V28 VanDerWaalsContact O-N 3.09Å; V28-D31 PolarHBondContact O-N 3.5Å; V28-K32 WeakPolarHBondContact O-CB 3.42Å; V28-K32 WeakPolarHBondContact O-CG 3.28Å; V28-K32 PolarHBondContact O-N 2.86Å
29	E	45.1	Very low	43.8	Very low	128 Å²	128	88.3 Å²	88.3	60%	0.598	45%	0.454	S	S	*	.	H	α-helix	trans	-67.3	-40.5	175.1	-169.4	164.1	-175.3	0	0	111.4	E25 Q27 D31 K32 L33	E25-E29 PolarHBondContact O-N 3.27Å; Q27-E29 VanDerWaalsContact C-N 3.34Å; E29-D31 PolarHBondContact O-N 3.18Å; E29-K32 PolarHBondContact O-N 3.38Å; E29-L33 HydrophobicContact CG-CD1 4.23Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 PolarHBondContact O-N 3.38Å
30	K	44	Very low	44.6	Very low	111 Å²	111	88.7 Å²	88.7	48%	0.483	46%	0.459	S	S	.	.	H	α-helix	trans	-62.1	-39.9	171	-76.7	173.8	-175.8	167.6	0	113	D26 Q27 L33 K34	D26-K30 WeakPolarHBondContact O-CG 3.31Å; D26-K30 PolarHBondContact O-N 3.48Å; Q27-K30 PolarHBondContact O-N 2.71Å; K30-L33 WeakPolarHBondContact O-CB 3.49Å; K30-L33 PolarHBondContact O-N 2.93Å; K30-K34 WeakPolarHBondContact O-CB 2.95Å; K30-K34 VanDerWaalsContact O-CG 3.27Å; K30-K34 WeakPolarHBondContact O-CG 3.37Å; K30-K34 PolarHBondContact O-N 2.96Å
31	D	43	Very low	45.6	Very low	26 Å²	26	82.6 Å²	82.6	14%	0.139	43%	0.427	C	S	.	.	H	α-helix	trans	-71	-39.1	179	-70.3	-2.5	0	0	0	110.2	Y23 Q27 V28 E29 K34 T35	Y23-D31 WeakPolarHBondContact CE1-OD2 3.36Å; Y23-D31 PolarHBondContact OH-OD2 2.88Å; Q27-D31 PolarHBondContact NE2-OD1 3.33Å; Q27-D31 WeakPolarHBondContact O-CB 3.48Å; Q27-D31 PolarHBondContact O-N 3Å; V28-D31 PolarHBondContact O-N 3.5Å; E29-D31 PolarHBondContact O-N 3.18Å; D31-K34 WeakPolarHBondContact O-CB 3.23Å; D31-K34 PolarHBondContact O-N 3.41Å; D31-T35 WeakPolarHBondContact O-CB 3.37Å; D31-T35 PolarHBondContact O-N 3.39Å; D31-T35 PolarHBondContact O-OG1 3.04Å
32	K	46.5	Very low	46.6	Very low	126 Å²	126	85.3 Å²	85.3	55%	0.548	43%	0.427	S	S	.	.	H	α-helix	trans	-60.2	-44.7	168.5	-77.3	178.9	178.8	-178.2	0	112.2	V28 E29 K34 T35 N36	V28-K32 WeakPolarHBondContact O-CB 3.42Å; V28-K32 WeakPolarHBondContact O-CG 3.28Å; V28-K32 PolarHBondContact O-N 2.86Å; E29-K32 PolarHBondContact O-N 3.38Å; K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 3.43Å; K32-T35 PolarHBondContact O-N 3.04Å; K32-N36 VanDerWaalsContact O-CB 3.27Å; K32-N36 WeakPolarHBondContact O-CB 3.37Å; K32-N36 PolarHBondContact O-N 3.09Å; K32-N36 PolarHBondContact O-OD1 2.77Å
33	L	40.9	Very low	47.5	Very low	106 Å²	106	84.9 Å²	84.9	56%	0.555	42%	0.415	S	S	*	.	H	α-helix	trans	-59.7	-42.7	174.9	-95.4	149.1	0	0	0	110.9	E29 K30 T35 N36 S37	E29-L33 HydrophobicContact CG-CD1 4.23Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 PolarHBondContact O-N 3.38Å; K30-L33 WeakPolarHBondContact O-CB 3.49Å; K30-L33 PolarHBondContact O-N 2.93Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.27Å; L33-N36 PolarHBondContact O-N 3.38Å; L33-S37 VanDerWaalsContact O-CB 3.31Å; L33-S37 WeakPolarHBondContact O-CB 3.17Å; L33-S37 PolarHBondContact O-N 3.18Å; L33-S37 PolarHBondContact O-OG 3.07Å; L33-S37 VanDerWaalsContact O-OG 3.08Å
34	K	49.8	Very low	48	Very low	107 Å²	107	83.2 Å²	83.2	47%	0.465	41%	0.412	S	S	.	.	H	α-helix	trans	-66.4	-34.7	177.4	-81.1	178.1	179.4	-178.8	0	113	K30 D31 K32 S37 M38 Y62	K30-K34 WeakPolarHBondContact O-CB 2.95Å; K30-K34 VanDerWaalsContact O-CG 3.27Å; K30-K34 WeakPolarHBondContact O-CG 3.37Å; K30-K34 PolarHBondContact O-N 2.96Å; D31-K34 WeakPolarHBondContact O-CB 3.23Å; D31-K34 PolarHBondContact O-N 3.41Å; K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 3.43Å; K34-S37 VanDerWaalsContact C-OG 3.29Å; K34-S37 VanDerWaalsContact CA-OG 3.29Å; K34-S37 WeakPolarHBondContact CA-OG 3.42Å; K34-S37 PolarHBondContact O-OG 2.97Å; K34-M38 PolarHBondContact O-N 3.45Å; K34-Y62 WeakPolarHBondContact CA-OH 3.33Å; K34-Y62 WeakPolarHBondContact CB-OH 3.43Å; K34-Y62 VanDerWaalsContact CG-OH 3.32Å; K34-Y62 WeakPolarHBondContact CG-OH 3.09Å; K34-Y62 PolarHBondContact O-OH 3.21Å
35	T	46.4	Very low	48.5	Very low	38 Å²	38	79.9 Å²	79.9	23%	0.233	39%	0.394	C	S	.	.	H	α-helix	trans	-78.2	-38.9	177.4	-56.5	0	0	0	0	111.5	D31 K32 L33 S37 M38 I39 Q134	D31-T35 WeakPolarHBondContact O-CB 3.37Å; D31-T35 PolarHBondContact O-N 3.39Å; D31-T35 PolarHBondContact O-OG1 3.04Å; K32-T35 PolarHBondContact O-N 3.04Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.27Å; T35-S37 VanDerWaalsContact C-N 3.34Å; T35-M38 WeakPolarHBondContact O-CB 3.05Å; T35-M38 PolarHBondContact O-N 2.85Å; T35-M38 VanDerWaalsContact O-N 3.16Å; T35-I39 PolarHBondContact O-N 3.42Å; T35-I39 VanDerWaalsContact O-N 3.09Å; T35-Q134 HydrophobicContact CG2-CG 4.39Å
36	N	43.4	Very low	48.8	Very low	81 Å²	81	74.5 Å²	74.5	43%	0.433	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-41.9	171.3	-72.6	-9.2	0	0	0	111.1	K32 L33 M38 I39 E40	K32-N36 VanDerWaalsContact O-CB 3.27Å; K32-N36 WeakPolarHBondContact O-CB 3.37Å; K32-N36 PolarHBondContact O-N 3.09Å; K32-N36 PolarHBondContact O-OD1 2.77Å; L33-N36 PolarHBondContact O-N 3.38Å; N36-M38 PolarHBondContact O-N 2.77Å; N36-I39 WeakPolarHBondContact O-CB 3.38Å; N36-I39 PolarHBondContact O-N 3.07Å; N36-I39 VanDerWaalsContact O-N 3.11Å; N36-E40 WeakPolarHBondContact O-CG 3.27Å; N36-E40 PolarHBondContact O-N 2.95Å
37	S	48.2	Very low	49	Very low	28 Å²	28	71.6 Å²	71.6	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-66.8	-25	176.1	62.3	0	0	0	0	112.3	L33 K34 T35 L41 Y62	L33-S37 VanDerWaalsContact O-CB 3.31Å; L33-S37 WeakPolarHBondContact O-CB 3.17Å; L33-S37 PolarHBondContact O-N 3.18Å; L33-S37 PolarHBondContact O-OG 3.07Å; L33-S37 VanDerWaalsContact O-OG 3.08Å; K34-S37 VanDerWaalsContact C-OG 3.29Å; K34-S37 VanDerWaalsContact CA-OG 3.29Å; K34-S37 WeakPolarHBondContact CA-OG 3.42Å; K34-S37 PolarHBondContact O-OG 2.97Å; T35-S37 VanDerWaalsContact C-N 3.34Å; S37-L41 WeakPolarHBondContact O-CB 3.34Å; S37-L41 PolarHBondContact O-N 3.5Å; S37-Y62 WeakPolarHBondContact OG-CE2 3.45Å; S37-Y62 PolarHBondContact OG-OH 3.48Å
38	M	52.7	Low	49.8	Very low	37 Å²	37	78.7 Å²	78.7	18%	0.182	41%	0.406	C	S	.	.	H	α-helix	trans	-73.1	-37	171.9	-162.5	175.6	79.3	0	0	111.8	K34 T35 N36 L41 E42 F86 F90	K34-M38 PolarHBondContact O-N 3.45Å; T35-M38 WeakPolarHBondContact O-CB 3.05Å; T35-M38 PolarHBondContact O-N 2.85Å; T35-M38 VanDerWaalsContact O-N 3.16Å; N36-M38 PolarHBondContact O-N 2.77Å; M38-L41 WeakPolarHBondContact O-CB 3.32Å; M38-L41 PolarHBondContact O-N 3.08Å; M38-E42 PolarHBondContact O-N 3.44Å; M38-F86 HydrophobicContact CG-CZ 4.2Å; M38-F90 HydrophobicContact CE-CD1 4.42Å; M38-F90 HydrophobicContact SD-CD1 3.54Å; M38-F90 VanDerWaalsContact SD-CD1 3.54Å; M38-F90 HydrophobicContact SD-CE1 3.42Å; M38-F90 WeakPolarHBondContact SD-CE1 3.04Å; M38-F90 HydrophobicContact SD-CZ 4.38Å
39	I	52	Low	50.5	Low	69 Å²	69	80 Å²	80	35%	0.354	42%	0.418	S	S	.	.	H	α-helix	trans	-67.3	-46	172	-64.9	161.1	0	0	0	110.4	T35 N36 L41 E42 E43 Q134	T35-I39 PolarHBondContact O-N 3.42Å; T35-I39 VanDerWaalsContact O-N 3.09Å; N36-I39 WeakPolarHBondContact O-CB 3.38Å; N36-I39 PolarHBondContact O-N 3.07Å; N36-I39 VanDerWaalsContact O-N 3.11Å; I39-L41 PolarHBondContact O-N 2.92Å; I39-E42 PolarHBondContact O-N 2.91Å; I39-E43 WeakPolarHBondContact O-CB 2.96Å; I39-E43 PolarHBondContact O-N 2.63Å; I39-Q134 HydrophobicContact CD1-CG 4.25Å
40	E	54.2	Low	51.3	Low	103 Å²	103	76 Å²	76	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-60.4	-34.7	173.8	-71.5	174.1	-177.7	0	0	110.8	N36 C44	N36-E40 WeakPolarHBondContact O-CG 3.27Å; N36-E40 PolarHBondContact O-N 2.95Å; E40-C44 WeakPolarHBondContact O-CB 3.02Å; E40-C44 PolarHBondContact O-N 2.8Å; E40-C44 PolarHBondContact O-SG 3.06Å
41	L	54.3	Low	52.2	Low	3 Å²	3	73 Å²	73	2%	0.016	40%	0.402	C	S	.	.	H	α-helix	trans	-66.7	-47.2	174.9	-170.9	125.4	0	0	0	110.8	S37 M38 I39 E43 C44 I45 L59 F86	S37-L41 WeakPolarHBondContact O-CB 3.34Å; S37-L41 PolarHBondContact O-N 3.5Å; M38-L41 WeakPolarHBondContact O-CB 3.32Å; M38-L41 PolarHBondContact O-N 3.08Å; I39-L41 PolarHBondContact O-N 2.92Å; L41-E43 PolarHBondContact O-N 3.25Å; L41-C44 PolarHBondContact O-N 3.36Å; L41-I45 HydrophobicContact CD2-CD1 3.38Å; L41-I45 HydrophobicContact CG-CD1 3.69Å; L41-I45 HydrophobicContact CG-CG1 4.43Å; L41-I45 WeakPolarHBondContact O-CB 3.49Å; L41-I45 WeakPolarHBondContact O-CD1 3.07Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.05Å; L41-L59 HydrophobicContact CD1-CD2 4.14Å; L41-L59 HydrophobicContact CD2-CD2 4.11Å; L41-F86 HydrophobicContact CD2-CD1 4.38Å; L41-F86 HydrophobicContact CD2-CD2 4.2Å; L41-F86 HydrophobicContact CD2-CE1 3.71Å; L41-F86 HydrophobicContact CD2-CE2 3.51Å; L41-F86 HydrophobicContact CD2-CZ 3.23Å
42	E	54.3	Low	53.1	Low	105 Å²	105	75.2 Å²	75.2	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-62.3	-40.3	173.4	-75.7	-169	161.5	0	0	112.7	M38 I39 I45 G46	M38-E42 PolarHBondContact O-N 3.44Å; I39-E42 PolarHBondContact O-N 2.91Å; E42-I45 PolarHBondContact O-N 3.37Å; E42-G46 PolarHBondContact O-N 2.82Å
43	E	56.4	Low	54	Low	143 Å²	143	78.2 Å²	78.2	67%	0.668	42%	0.418	S	S	*	.	H	α-helix	trans	-68.1	-41.4	178	-170.2	174.5	-175.7	0	0	111.6	I39 L41 G46 S47	I39-E43 WeakPolarHBondContact O-CB 2.96Å; I39-E43 PolarHBondContact O-N 2.63Å; L41-E43 PolarHBondContact O-N 3.25Å; E43-G46 PolarHBondContact O-N 3.37Å; E43-S47 WeakPolarHBondContact O-CB 3.2Å; E43-S47 PolarHBondContact O-N 3.49Å
44	C	51.7	Low	55.1	Low	26 Å²	26	75 Å²	75	18%	0.176	41%	0.407	C	S	.	.	H	α-helix	trans	-69.8	-36.4	175.2	-73.3	0	0	0	0	112	E40 L41 S47 I50 K55	E40-C44 WeakPolarHBondContact O-CB 3.02Å; E40-C44 PolarHBondContact O-N 2.8Å; E40-C44 PolarHBondContact O-SG 3.06Å; L41-C44 PolarHBondContact O-N 3.36Å; C44-S47 PolarHBondContact O-N 3.25Å; C44-I50 HydrophobicContact CB-CD1 3.58Å; C44-I50 VanDerWaalsContact SG-CD1 3.54Å; C44-K55 WeakPolarHBondContact O-CE 3.14Å
45	I	55.3	Low	55.8	Low	35 Å²	35	70.8 Å²	70.8	18%	0.179	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-42.3	174.7	-76.8	170.8	0	0	0	110.6	L41 E42 K55 L59 Y79 L83	L41-I45 HydrophobicContact CD2-CD1 3.38Å; L41-I45 HydrophobicContact CG-CD1 3.69Å; L41-I45 HydrophobicContact CG-CG1 4.43Å; L41-I45 WeakPolarHBondContact O-CB 3.49Å; L41-I45 WeakPolarHBondContact O-CD1 3.07Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.05Å; E42-I45 PolarHBondContact O-N 3.37Å; I45-K55 PolarHBondContact O-NZ 2.79Å; I45-L59 HydrophobicContact CD1-CD2 4.4Å; I45-Y79 WeakPolarHBondContact CB-OH 3.24Å; I45-Y79 HydrophobicContact CG1-CE2 4.24Å; I45-Y79 VanDerWaalsContact CG1-OH 3.23Å; I45-Y79 WeakPolarHBondContact CG1-OH 3.23Å; I45-Y79 WeakPolarHBondContact CG2-OH 3.3Å; I45-L83 HydrophobicContact CD1-CD1 3.78Å; I45-L83 HydrophobicContact CG2-CD1 4.43Å
46	G	54.1	Low	56.6	Low	62 Å²	62	70.3 Å²	70.3	64%	0.639	38%	0.384	S	S	*	.	H	α-helix	trans	-75.4	-19.2	178.1	0	0	0	0	0	114.5	E42 E43 E48	E42-G46 PolarHBondContact O-N 2.82Å; E43-G46 PolarHBondContact O-N 3.37Å; G46-E48 PolarHBondContact O-N 3.43Å
47	S	54	Low	57.6	Low	42 Å²	42	71.2 Å²	71.2	29%	0.294	39%	0.389	S	S	.	.			trans	-76.5	119	177.8	-168.6	0	0	0	0	111.5	E43 C44 S49 K55	E43-S47 WeakPolarHBondContact O-CB 3.2Å; E43-S47 PolarHBondContact O-N 3.49Å; C44-S47 PolarHBondContact O-N 3.25Å; S47-S49 PolarHBondContact O-N 3.47Å; S47-S49 VanDerWaalsContact O-N 3.17Å; S47-S49 PolarHBondContact OG-N 3.08Å; S47-S49 PolarHBondContact OG-OG 2.79Å; S47-K55 WeakPolarHBondContact O-CE 3.35Å; S47-K55 PolarHBondContact O-NZ 3.48Å
48	E	56.2	Low	58.2	Low	201 Å²	201	75.1 Å²	75.1	94%	0.939	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.7	171.3	-69.6	-177.5	169	0	0	112.7	G46	G46-E48 PolarHBondContact O-N 3.43Å
49	S	57.6	Low	58.5	Low	102 Å²	102	73.7 Å²	73.7	71%	0.713	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.4	-175.4	71.3	0	0	0	0	114.7	S47	S47-S49 PolarHBondContact O-N 3.47Å; S47-S49 VanDerWaalsContact O-N 3.17Å; S47-S49 PolarHBondContact OG-N 3.08Å; S47-S49 PolarHBondContact OG-OG 2.79Å
50	I	62.8	Low	59.1	Low	44 Å²	44	74.9 Å²	74.9	23%	0.226	40%	0.401	C	S	.	.	S	Bend	trans	-100.2	121.6	-176	-59.8	179.1	0	0	0	108.8	C44 A54 K55	C44-I50 HydrophobicContact CB-CD1 3.58Å; C44-I50 VanDerWaalsContact SG-CD1 3.54Å; I50-A54 HydrophobicContact CG2-CB 3.55Å; I50-K55 HydrophobicContact CB-CG 4.39Å; I50-K55 HydrophobicContact CG2-CG 3.85Å; I50-K55 WeakPolarHBondContact O-CE 3.45Å
51	G	62.8	Low	59.6	Low	50 Å²	50	77.7 Å²	77.7	52%	0.515	41%	0.414	S	S	.	.			trans	-63.3	145.6	178.5	0	0	0	0	0	112.1	R53 A54 K55	G51-R53 PolarHBondContact O-N 3.31Å; G51-A54 WeakPolarHBondContact O-CB 3.33Å; G51-A54 PolarHBondContact O-N 3.16Å; G51-K55 PolarHBondContact O-N 3.43Å
52	F	62.1	Low	59.6	Low	72 Å²	72	81.8 Å²	81.8	32%	0.316	43%	0.43	S	S	.	.	H	α-helix	trans	-50.1	-33.9	-177.6	-66.6	-71.5	0	0	0	114.2	A54 K55 L56 P75 E76 Y79	F52-A54 PolarHBondContact O-N 2.88Å; F52-K55 PolarHBondContact O-N 2.81Å; F52-L56 WeakPolarHBondContact O-CB 3.02Å; F52-L56 PolarHBondContact O-N 3.22Å; F52-P75 HydrophobicContact CB-CB 4.15Å; F52-E76 HydrophobicContact CD1-CG 4.46Å; F52-E76 HydrophobicContact CD2-CB 4.06Å; F52-E76 HydrophobicContact CD2-CG 4.27Å; F52-E76 HydrophobicContact CE1-CG 4.11Å; F52-E76 HydrophobicContact CE2-CB 4.17Å; F52-E76 HydrophobicContact CE2-CG 3.9Å; F52-E76 HydrophobicContact CG-CB 4.27Å; F52-E76 HydrophobicContact CZ-CB 4.47Å; F52-E76 HydrophobicContact CZ-CG 3.81Å; F52-Y79 AromaticContact CD1-CD1 3.76Å; F52-Y79 HydrophobicContact CD1-CD1 3.76Å; F52-Y79 HydrophobicContact CD1-CE1 4.41Å; F52-Y79 HydrophobicContact CD1-CG 4.01Å; F52-Y79 HydrophobicContact CE1-CD1 4.06Å; F52-Y79 HydrophobicContact CE1-CE1 4.48Å
53	R	64.6	Low	59.5	Low	189 Å²	189	79.5 Å²	79.5	71%	0.713	42%	0.424	S	S	*	.	H	α-helix	trans	-61.9	-39.9	175.4	-168.5	179.1	76.2	-162.7	4.2	113.2	G51 N57	G51-R53 PolarHBondContact O-N 3.31Å; R53-N57 PolarHBondContact O-N 3.35Å; R53-N57 VanDerWaalsContact O-N 3.09Å
54	A	63.9	Low	59.5	Low	38 Å²	38	79.4 Å²	79.4	31%	0.314	43%	0.429	S	S	.	.	H	α-helix	trans	-69.4	-42.9	176.2	0	0	0	0	0	110.2	I50 G51 F52 L56 N57 Y58	I50-A54 HydrophobicContact CG2-CB 3.55Å; G51-A54 WeakPolarHBondContact O-CB 3.33Å; G51-A54 PolarHBondContact O-N 3.16Å; F52-A54 PolarHBondContact O-N 2.88Å; A54-L56 VanDerWaalsContact C-N 3.29Å; A54-L56 PolarHBondContact O-N 2.87Å; A54-N57 PolarHBondContact O-N 3.33Å; A54-Y58 WeakPolarHBondContact O-CD2 3.29Å; A54-Y58 PolarHBondContact O-N 3.49Å; A54-Y58 VanDerWaalsContact O-N 3.07Å
55	K	63.7	Low	59.4	Low	18 Å²	18	81.4 Å²	81.4	8%	0.078	45%	0.447	C	S	.	.	H	α-helix	trans	-57.9	-41.7	175	-57.7	-173.3	177.7	-174.8	0	112.2	C44 I45 S47 I50 G51 F52 Y58 L59 Y79	C44-K55 WeakPolarHBondContact O-CE 3.14Å; I45-K55 PolarHBondContact O-NZ 2.79Å; S47-K55 WeakPolarHBondContact O-CE 3.35Å; S47-K55 PolarHBondContact O-NZ 3.48Å; I50-K55 HydrophobicContact CB-CG 4.39Å; I50-K55 HydrophobicContact CG2-CG 3.85Å; I50-K55 WeakPolarHBondContact O-CE 3.45Å; G51-K55 PolarHBondContact O-N 3.43Å; F52-K55 PolarHBondContact O-N 2.81Å; K55-Y58 PolarHBondContact O-N 2.98Å; K55-L59 WeakPolarHBondContact O-CG 3.31Å; K55-L59 PolarHBondContact O-N 2.77Å; K55-L59 VanDerWaalsContact O-N 3.07Å; K55-Y79 HydrophobicContact CB-CD2 3.61Å; K55-Y79 HydrophobicContact CB-CE2 3.42Å; K55-Y79 VanDerWaalsContact CB-CE2 3.42Å; K55-Y79 HydrophobicContact CD-CE1 4.48Å; K55-Y79 HydrophobicContact CD-CE2 3.95Å; K55-Y79 HydrophobicContact CG-CE2 4.28Å
56	L	63.7	Low	59	Low	28 Å²	28	81.1 Å²	81.1	15%	0.147	45%	0.45	C	S	.	.	H	α-helix	trans	-62.8	-45.7	174.9	-89.7	171.9	0	0	0	113.7	F52 A54 Y58 L59 N60 P75 D78 Y79 A82	F52-L56 WeakPolarHBondContact O-CB 3.02Å; F52-L56 PolarHBondContact O-N 3.22Å; A54-L56 VanDerWaalsContact C-N 3.29Å; A54-L56 PolarHBondContact O-N 2.87Å; L56-Y58 VanDerWaalsContact C-N 3.27Å; L56-Y58 PolarHBondContact O-N 3.47Å; L56-L59 PolarHBondContact O-N 2.79Å; L56-N60 WeakPolarHBondContact O-CB 3.45Å; L56-N60 PolarHBondContact O-N 3.11Å; L56-P75 HydrophobicContact CD1-CB 4.09Å; L56-P75 WeakPolarHBondContact CD1-O 3.1Å; L56-D78 HydrophobicContact CD1-CB 3.71Å; L56-D78 HydrophobicContact CD2-CB 4.14Å; L56-Y79 HydrophobicContact CG-CD2 4.43Å; L56-A82 HydrophobicContact CD2-CB 4.01Å
57	N	64	Low	58.7	Low	101 Å²	101	85.9 Å²	85.9	54%	0.54	46%	0.461	S	S	.	.	H	α-helix	trans	-61.5	-40.1	178.4	-74.1	-11.2	0	0	0	111.4	R53 A54 N60 E61	R53-N57 PolarHBondContact O-N 3.35Å; R53-N57 VanDerWaalsContact O-N 3.09Å; A54-N57 PolarHBondContact O-N 3.33Å; N57-N60 PolarHBondContact O-N 3.09Å; N57-E61 WeakPolarHBondContact O-CB 3.27Å; N57-E61 PolarHBondContact O-N 3.2Å
58	Y	61	Low	58.5	Low	109 Å²	109	88 Å²	88	43%	0.427	47%	0.468	S	S	.	.	H	α-helix	trans	-60.6	-44.9	173.5	-92.6	-78.9	0	0	0	112.1	A54 K55 L56 N60 E61 Y62	A54-Y58 WeakPolarHBondContact O-CD2 3.29Å; A54-Y58 PolarHBondContact O-N 3.49Å; A54-Y58 VanDerWaalsContact O-N 3.07Å; K55-Y58 PolarHBondContact O-N 2.98Å; L56-Y58 VanDerWaalsContact C-N 3.27Å; L56-Y58 PolarHBondContact O-N 3.47Å; Y58-N60 PolarHBondContact O-N 2.83Å; Y58-E61 PolarHBondContact O-N 3.4Å; Y58-Y62 PolarHBondContact O-N 2.96Å
59	L	60.1	Low	58.1	Low	8 Å²	8	86.1 Å²	86.1	4%	0.042	46%	0.459	C	S	.	.	H	α-helix	trans	-63.3	-40.5	175.8	-74.3	168.8	0	0	0	112.5	L41 I45 K55 L56 E61 Y62 C63 Y79 A82 F86	L41-L59 HydrophobicContact CD1-CD2 4.14Å; L41-L59 HydrophobicContact CD2-CD2 4.11Å; I45-L59 HydrophobicContact CD1-CD2 4.4Å; K55-L59 WeakPolarHBondContact O-CG 3.31Å; K55-L59 PolarHBondContact O-N 2.77Å; K55-L59 VanDerWaalsContact O-N 3.07Å; L56-L59 PolarHBondContact O-N 2.79Å; L59-E61 VanDerWaalsContact C-N 3.34Å; L59-Y62 PolarHBondContact O-N 3.12Å; L59-C63 WeakPolarHBondContact O-CB 3.49Å; L59-C63 PolarHBondContact O-N 2.95Å; L59-Y79 HydrophobicContact CD1-CD2 3.74Å; L59-Y79 HydrophobicContact CD1-CE2 3.67Å; L59-A82 HydrophobicContact CD1-CB 3.95Å; L59-F86 HydrophobicContact CD2-CD2 4.35Å
60	N	64.3	Low	57.6	Low	94 Å²	94	83.8 Å²	83.8	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-68.6	-32.3	179.1	-174	73.1	0	0	0	112.5	L56 N57 Y58 Y62 A66	L56-N60 WeakPolarHBondContact O-CB 3.45Å; L56-N60 PolarHBondContact O-N 3.11Å; N57-N60 PolarHBondContact O-N 3.09Å; Y58-N60 PolarHBondContact O-N 2.83Å; N60-Y62 VanDerWaalsContact C-N 3.34Å; N60-A66 HydrophobicContact CB-CB 3.96Å; N60-A66 WeakPolarHBondContact OD1-CB 3.45Å
61	E	63.6	Low	57	Low	161 Å²	161	86.1 Å²	86.1	75%	0.752	47%	0.468	S	S	*	.	H	α-helix	trans	-69.8	-33.2	173.5	-173.4	170.5	-175.4	0	0	112	N57 Y58 L59	N57-E61 WeakPolarHBondContact O-CB 3.27Å; N57-E61 PolarHBondContact O-N 3.2Å; Y58-E61 PolarHBondContact O-N 3.4Å; L59-E61 VanDerWaalsContact C-N 3.34Å
62	Y	55	Low	56.6	Low	90 Å²	90	90.5 Å²	90.5	35%	0.353	48%	0.478	S	S	.	.	H	α-helix	trans	-92.4	-19.7	-175.3	-135.3	-104.4	0	0	0	114.6	K34 S37 Y58 L59 N60	K34-Y62 WeakPolarHBondContact CA-OH 3.33Å; K34-Y62 WeakPolarHBondContact CB-OH 3.43Å; K34-Y62 VanDerWaalsContact CG-OH 3.32Å; K34-Y62 WeakPolarHBondContact CG-OH 3.09Å; K34-Y62 PolarHBondContact O-OH 3.21Å; S37-Y62 WeakPolarHBondContact OG-CE2 3.45Å; S37-Y62 PolarHBondContact OG-OH 3.48Å; Y58-Y62 PolarHBondContact O-N 2.96Å; L59-Y62 PolarHBondContact O-N 3.12Å; N60-Y62 VanDerWaalsContact C-N 3.34Å
63	C	53	Low	56.3	Low	56 Å²	56	91.3 Å²	91.3	38%	0.378	49%	0.485	S	S	.	.			trans	-129.4	112.9	-175.2	-146.7	0	0	0	0	111.7	L59 A65 A66	L59-C63 WeakPolarHBondContact O-CB 3.49Å; L59-C63 PolarHBondContact O-N 2.95Å; C63-A65 HydrophobicContact CB-CB 4.36Å; C63-A65 PolarHBondContact O-N 2.82Å; C63-A65 WeakPolarHBondContact SG-CB 3.03Å; C63-A66 PolarHBondContact O-N 3.41Å
64	D	55.4	Low	56.2	Low	142 Å²	142	88.5 Å²	88.5	76%	0.759	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-56.8	-10.5	162.8	-80.4	-19.6	0	0	0	112.1	R15 A66	R15-D64 IonicContact NH1-OD2 3.35Å; D64-A66 PolarHBondContact O-N 3.38Å
65	A	49.4	Very low	56	Low	68 Å²	68	89.8 Å²	89.8	56%	0.562	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-74.8	-8.5	175.3	0	0	0	0	0	113.7	C63 N67	C63-A65 HydrophobicContact CB-CB 4.36Å; C63-A65 PolarHBondContact O-N 2.82Å; C63-A65 WeakPolarHBondContact SG-CB 3.03Å; A65-N67 PolarHBondContact O-N 2.7Å; A65-N67 VanDerWaalsContact O-N 3.08Å
66	A	46.8	Very low	55.9	Low	29 Å²	29	93.5 Å²	93.5	24%	0.24	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-80	28.9	172.2	0	0	0	0	0	113.2	N60 C63 D64 L68	N60-A66 HydrophobicContact CB-CB 3.96Å; N60-A66 WeakPolarHBondContact OD1-CB 3.45Å; C63-A66 PolarHBondContact O-N 3.41Å; D64-A66 PolarHBondContact O-N 3.38Å; A66-L68 PolarHBondContact O-N 2.78Å
67	N	48.4	Very low	56	Low	162 Å²	162	95.6 Å²	95.6	87%	0.866	51%	0.514	S	S	*	.			trans	-72	26.7	154.9	-122.3	1.4	0	0	0	111.6	A65	A65-N67 PolarHBondContact O-N 2.7Å; A65-N67 VanDerWaalsContact O-N 3.08Å
68	L	50	Low	56.1	Low	86 Å²	86	91 Å²	91	45%	0.45	49%	0.489	S	S	.	.	S	Bend	trans	-77.4	127.7	166.2	-151.5	74.1	0	0	0	106	A66 C70 Q81	A66-L68 PolarHBondContact O-N 2.78Å; L68-C70 VanDerWaalsContact CD2-SG 3.59Å; L68-C70 PolarHBondContact O-N 3.28Å; L68-Q81 HydrophobicContact CD2-CB 3.83Å
69	H	48.3	Very low	56.1	Low	162 Å²	162	86.2 Å²	86.2	75%	0.75	47%	0.47	S	S	*	.			trans	-70.2	55.4	-173.1	-160.2	-67.5	0	0	0	111.5	A71	H69-A71 VanDerWaalsContact C-N 3.3Å; H69-A71 PolarHBondContact O-N 3.35Å; H69-A71 VanDerWaalsContact O-N 3.11Å
70	C	47.1	Very low	56.4	Low	52 Å²	52	90.6 Å²	90.6	35%	0.351	49%	0.491	S	S	.	.			trans	-87	44.3	-165.6	-75.6	0	0	0	0	113.8	L68 D78	L68-C70 VanDerWaalsContact CD2-SG 3.59Å; L68-C70 PolarHBondContact O-N 3.28Å; C70-D78 HydrophobicContact CB-CB 4.22Å; C70-D78 VanDerWaalsContact CB-OD2 3.31Å; C70-D78 WeakPolarHBondContact CB-OD2 3.37Å; C70-D78 PolarHBondContact SG-OD1 2.9Å
71	A	50.7	Low	56.4	Low	94 Å²	94	90.4 Å²	90.4	78%	0.777	49%	0.486	S	S	*	.	S	Bend	trans	-98.7	3.7	172.1	0	0	0	0	0	113	H69	H69-A71 VanDerWaalsContact C-N 3.3Å; H69-A71 PolarHBondContact O-N 3.35Å; H69-A71 VanDerWaalsContact O-N 3.11Å
72	I	53.8	Low	56.3	Low	141 Å²	141	84 Å²	84	72%	0.723	46%	0.461	S	S	*	.	S	Bend	trans	-128.5	-12.1	-166.8	-53.6	-179.5	0	0	0	113.1
73	L	55.6	Low	56.7	Low	89 Å²	89	80.3 Å²	80.3	47%	0.466	45%	0.447	S	S	.	.	S	Bend	trans	-111.8	157.4	-173.9	-80.8	153	0	0	0	112	I77 D78	L73-I77 HydrophobicContact CD2-CD1 4.14Å; L73-I77 HydrophobicContact CD2-CG2 4.25Å; L73-D78 WeakPolarHBondContact CB-OD1 3.38Å
74	E	62.1	Low	57.2	Low	131 Å²	131	83.5 Å²	83.5	61%	0.612	46%	0.455	S	S	*	.			trans	-62.3	140.2	177.4	-74.9	-178.8	165.9	0	0	110.1	E76 I77 D78	E74-E76 PolarHBondContact O-N 2.64Å; E74-I77 HydrophobicContact CB-CD1 4.31Å; E74-I77 HydrophobicContact CB-CG1 4.42Å; E74-I77 PolarHBondContact O-N 2.94Å; E74-D78 PolarHBondContact O-N 2.88Å; E74-D78 VanDerWaalsContact O-N 3.14Å
75	P	60.3	Low	57.3	Low	64 Å²	64	79.6 Å²	79.6	42%	0.416	44%	0.437	S	S	.	.	H	α-helix	trans	-59.8	-20	-173	22.9	-33.9	0	0	0	113.7	F52 L56 Y79	F52-P75 HydrophobicContact CB-CB 4.15Å; L56-P75 HydrophobicContact CD1-CB 4.09Å; L56-P75 WeakPolarHBondContact CD1-O 3.1Å; P75-Y79 WeakPolarHBondContact O-CB 3.33Å; P75-Y79 PolarHBondContact O-N 3.45Å; P75-Y79 VanDerWaalsContact O-N 3.14Å
76	E	62.1	Low	57.7	Low	96 Å²	96	77.3 Å²	77.3	45%	0.449	42%	0.415	S	S	.	.	H	α-helix	trans	-73.3	-43.4	173.4	-172.5	169.7	-177.9	0	0	111.9	F52 E74 Y79 H80	F52-E76 HydrophobicContact CD1-CG 4.46Å; F52-E76 HydrophobicContact CD2-CB 4.06Å; F52-E76 HydrophobicContact CD2-CG 4.27Å; F52-E76 HydrophobicContact CE1-CG 4.11Å; F52-E76 HydrophobicContact CE2-CB 4.17Å; F52-E76 HydrophobicContact CE2-CG 3.9Å; F52-E76 HydrophobicContact CG-CB 4.27Å; F52-E76 HydrophobicContact CZ-CB 4.47Å; F52-E76 HydrophobicContact CZ-CG 3.81Å; E74-E76 PolarHBondContact O-N 2.64Å; E76-Y79 PolarHBondContact O-N 3.11Å; E76-H80 PolarHBondContact O-CD2 3.18Å; E76-H80 PolarHBondContact O-N 3.09Å
77	I	64.4	Low	58.3	Low	72 Å²	72	81.5 Å²	81.5	37%	0.369	43%	0.429	S	S	.	.	H	α-helix	trans	-67.1	-47.3	179	-59.6	173.8	0	0	0	110	L73 E74 Y79 H80 Q81	L73-I77 HydrophobicContact CD2-CD1 4.14Å; L73-I77 HydrophobicContact CD2-CG2 4.25Å; E74-I77 HydrophobicContact CB-CD1 4.31Å; E74-I77 HydrophobicContact CB-CG1 4.42Å; E74-I77 PolarHBondContact O-N 2.94Å; I77-Y79 VanDerWaalsContact C-N 3.25Å; I77-Y79 PolarHBondContact O-N 2.84Å; I77-H80 PolarHBondContact O-N 3.36Å; I77-Q81 HydrophobicContact CG2-CG 4.45Å; I77-Q81 WeakPolarHBondContact O-CB 3.42Å; I77-Q81 WeakPolarHBondContact O-CG 3.43Å; I77-Q81 PolarHBondContact O-N 2.88Å
78	D	65.9	Low	58.8	Low	4 Å²	4	78.3 Å²	78.3	2%	0.021	41%	0.409	C	S	.	.	H	α-helix	trans	-61.7	-38.6	178.6	-75.5	-19.4	0	0	0	110.9	L56 C70 L73 E74 Q81 A82	L56-D78 HydrophobicContact CD1-CB 3.71Å; L56-D78 HydrophobicContact CD2-CB 4.14Å; C70-D78 HydrophobicContact CB-CB 4.22Å; C70-D78 VanDerWaalsContact CB-OD2 3.31Å; C70-D78 WeakPolarHBondContact CB-OD2 3.37Å; C70-D78 PolarHBondContact SG-OD1 2.9Å; L73-D78 WeakPolarHBondContact CB-OD1 3.38Å; E74-D78 PolarHBondContact O-N 2.88Å; E74-D78 VanDerWaalsContact O-N 3.14Å; D78-Q81 PolarHBondContact O-N 2.89Å; D78-A82 VanDerWaalsContact O-CB 3.28Å; D78-A82 WeakPolarHBondContact O-CB 3.39Å; D78-A82 PolarHBondContact O-N 3.26Å
79	Y	62.1	Low	58.8	Low	9 Å²	9	75.4 Å²	75.4	4%	0.035	40%	0.395	C	S	.	.	H	α-helix	trans	-62	-50.3	175.8	174.4	-103.4	0	0	0	111.5	I45 F52 K55 L56 L59 P75 E76 I77 Q81 A82 L83	I45-Y79 WeakPolarHBondContact CB-OH 3.24Å; I45-Y79 HydrophobicContact CG1-CE2 4.24Å; I45-Y79 VanDerWaalsContact CG1-OH 3.23Å; I45-Y79 WeakPolarHBondContact CG1-OH 3.23Å; I45-Y79 WeakPolarHBondContact CG2-OH 3.3Å; F52-Y79 AromaticContact CD1-CD1 3.76Å; F52-Y79 HydrophobicContact CD1-CD1 3.76Å; F52-Y79 HydrophobicContact CD1-CE1 4.41Å; F52-Y79 HydrophobicContact CD1-CG 4.01Å; F52-Y79 HydrophobicContact CE1-CD1 4.06Å; F52-Y79 HydrophobicContact CE1-CE1 4.48Å; K55-Y79 HydrophobicContact CB-CD2 3.61Å; K55-Y79 HydrophobicContact CB-CE2 3.42Å; K55-Y79 VanDerWaalsContact CB-CE2 3.42Å; K55-Y79 HydrophobicContact CD-CE1 4.48Å; K55-Y79 HydrophobicContact CD-CE2 3.95Å; K55-Y79 HydrophobicContact CG-CE2 4.28Å; L56-Y79 HydrophobicContact CG-CD2 4.43Å; L59-Y79 HydrophobicContact CD1-CD2 3.74Å; L59-Y79 HydrophobicContact CD1-CE2 3.67Å; P75-Y79 WeakPolarHBondContact O-CB 3.33Å; P75-Y79 PolarHBondContact O-N 3.45Å; P75-Y79 VanDerWaalsContact O-N 3.14Å; E76-Y79 PolarHBondContact O-N 3.11Å; I77-Y79 VanDerWaalsContact C-N 3.25Å; I77-Y79 PolarHBondContact O-N 2.84Å; Y79-Q81 VanDerWaalsContact C-N 3.28Å; Y79-Q81 PolarHBondContact O-N 3.39Å; Y79-A82 PolarHBondContact O-N 3.49Å; Y79-L83 HydrophobicContact CE1-CD2 3.97Å; Y79-L83 HydrophobicContact CE2-CD1 4.5Å; Y79-L83 WeakPolarHBondContact O-CB 3.24Å; Y79-L83 PolarHBondContact O-N 3Å
80	H	65.4	Low	59	Low	101 Å²	101	70.2 Å²	70.2	47%	0.468	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-34.2	178.3	-74	-62.4	0	0	0	112.7	E76 I77 K84	E76-H80 PolarHBondContact O-CD2 3.18Å; E76-H80 PolarHBondContact O-N 3.09Å; I77-H80 PolarHBondContact O-N 3.36Å; H80-K84 PolarHBondContact O-N 3.29Å
81	Q	64.1	Low	59.3	Low	89 Å²	89	70 Å²	70	42%	0.416	38%	0.377	S	S	.	.	H	α-helix	trans	-70	-39.8	175	-73.8	-175.7	-17.3	0	0	112.6	L68 I77 D78 Y79 L83 P85	L68-Q81 HydrophobicContact CD2-CB 3.83Å; I77-Q81 HydrophobicContact CG2-CG 4.45Å; I77-Q81 WeakPolarHBondContact O-CB 3.42Å; I77-Q81 WeakPolarHBondContact O-CG 3.43Å; I77-Q81 PolarHBondContact O-N 2.88Å; D78-Q81 PolarHBondContact O-N 2.89Å; Y79-Q81 VanDerWaalsContact C-N 3.28Å; Y79-Q81 PolarHBondContact O-N 3.39Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; Q81-P85 WeakPolarHBondContact O-CD 3.09Å
82	A	62.1	Low	59.7	Low	26 Å²	26	68.6 Å²	68.6	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-71.4	-30.6	174.9	0	0	0	0	0	112.3	L56 L59 D78 Y79 P85	L56-A82 HydrophobicContact CD2-CB 4.01Å; L59-A82 HydrophobicContact CD1-CB 3.95Å; D78-A82 VanDerWaalsContact O-CB 3.28Å; D78-A82 WeakPolarHBondContact O-CB 3.39Å; D78-A82 PolarHBondContact O-N 3.26Å; Y79-A82 PolarHBondContact O-N 3.49Å; A82-P85 WeakPolarHBondContact O-CD 3.07Å
83	L	63.1	Low	60	Low	13 Å²	13	65.7 Å²	65.7	7%	0.068	34%	0.337	C	S	.	.	H	α-helix	trans	-74.6	-32	177.9	-167.4	72.4	0	0	0	112.1	I45 Y79 Q81 F86 E87	I45-L83 HydrophobicContact CD1-CD1 3.78Å; I45-L83 HydrophobicContact CG2-CD1 4.43Å; Y79-L83 HydrophobicContact CE1-CD2 3.97Å; Y79-L83 HydrophobicContact CE2-CD1 4.5Å; Y79-L83 WeakPolarHBondContact O-CB 3.24Å; Y79-L83 PolarHBondContact O-N 3Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; L83-F86 HydrophobicContact CD1-CB 4.43Å; L83-F86 HydrophobicContact CD1-CD1 4.33Å; L83-F86 CarbonylContact O-C 3.59Å; L83-F86 VanDerWaalsContact O-CA 3.3Å; L83-F86 WeakPolarHBondContact O-CA 3.26Å; L83-F86 VanDerWaalsContact O-CB 3.23Å; L83-F86 WeakPolarHBondContact O-CB 3.4Å; L83-F86 PolarHBondContact O-N 2.79Å; L83-E87 HydrophobicContact CD2-CG 4.45Å; L83-E87 WeakPolarHBondContact CD2-OE1 3.31Å; L83-E87 HydrophobicContact CG-CG 4.1Å; L83-E87 PolarHBondContact O-N 2.84Å
84	K	64.4	Low	59.9	Low	124 Å²	124	66 Å²	66	54%	0.539	34%	0.335	S	S	.	.	H	α-helix	trans	-56.8	-48.6	-177	-179.9	-180	-179.1	-176.8	0	113.5	H80 F86 E87 E88	H80-K84 PolarHBondContact O-N 3.29Å; K84-F86 PolarHBondContact O-N 2.69Å; K84-E87 PolarHBondContact O-N 3.42Å; K84-E88 WeakPolarHBondContact CE-OE1 3.42Å; K84-E88 HydrophobicContact CG-CG 4.47Å; K84-E88 WeakPolarHBondContact CG-OE1 3.03Å; K84-E88 VanDerWaalsContact O-CB 3.31Å; K84-E88 WeakPolarHBondContact O-CB 3.34Å; K84-E88 VanDerWaalsContact O-CG 3.24Å; K84-E88 WeakPolarHBondContact O-CG 3.42Å; K84-E88 PolarHBondContact O-N 2.98Å
85	P	57.4	Low	59.7	Low	59 Å²	59	63.3 Å²	63.3	38%	0.383	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-33.3	171.1	-22.5	31.7	0	0	0	112.8	Q81 A82 T89	Q81-P85 WeakPolarHBondContact O-CD 3.09Å; A82-P85 WeakPolarHBondContact O-CD 3.07Å; P85-T89 WeakPolarHBondContact O-CB 3.37Å; P85-T89 PolarHBondContact O-N 2.76Å; P85-T89 PolarHBondContact O-OG1 3.35Å
86	F	58.7	Low	59.7	Low	21 Å²	21	61.5 Å²	61.5	9%	0.092	31%	0.312	C	S	.	.	H	α-helix	trans	-67.6	-46.3	177.8	-167.9	-90.1	0	0	0	111.2	M38 L41 L59 L83 K84 T89 F90	M38-F86 HydrophobicContact CG-CZ 4.2Å; L41-F86 HydrophobicContact CD2-CD1 4.38Å; L41-F86 HydrophobicContact CD2-CD2 4.2Å; L41-F86 HydrophobicContact CD2-CE1 3.71Å; L41-F86 HydrophobicContact CD2-CE2 3.51Å; L41-F86 HydrophobicContact CD2-CZ 3.23Å; L59-F86 HydrophobicContact CD2-CD2 4.35Å; L83-F86 HydrophobicContact CD1-CB 4.43Å; L83-F86 HydrophobicContact CD1-CD1 4.33Å; L83-F86 CarbonylContact O-C 3.59Å; L83-F86 VanDerWaalsContact O-CA 3.3Å; L83-F86 WeakPolarHBondContact O-CA 3.26Å; L83-F86 VanDerWaalsContact O-CB 3.23Å; L83-F86 WeakPolarHBondContact O-CB 3.4Å; L83-F86 PolarHBondContact O-N 2.79Å; K84-F86 PolarHBondContact O-N 2.69Å; F86-T89 PolarHBondContact O-N 3.41Å; F86-F90 HydrophobicContact CB-CD2 4.47Å; F86-F90 HydrophobicContact CD1-CB 4.23Å; F86-F90 HydrophobicContact CD1-CD2 4.15Å; F86-F90 HydrophobicContact CD1-CG 4.5Å; F86-F90 AromaticContact CD2-CD2 3.31Å; F86-F90 HydrophobicContact CD2-CD2 3.31Å; F86-F90 AromaticContact CD2-CE2 3.53Å; F86-F90 HydrophobicContact CD2-CE2 3.53Å; F86-F90 HydrophobicContact CD2-CG 4.23Å; F86-F90 HydrophobicContact CE1-CB 3.95Å; F86-F90 HydrophobicContact CE1-CD2 4.16Å; F86-F90 HydrophobicContact CE1-CG 4.18Å; F86-F90 HydrophobicContact CE2-CD1 4.49Å; F86-F90 AromaticContact CE2-CD2 3.32Å; F86-F90 HydrophobicContact CE2-CD2 3.32Å; F86-F90 AromaticContact CE2-CE2 3.47Å; F86-F90 HydrophobicContact CE2-CE2 3.47Å; F86-F90 VanDerWaalsContact CE2-CE2 3.47Å; F86-F90 AromaticContact CE2-CG 3.89Å; F86-F90 HydrophobicContact CE2-CG 3.89Å; F86-F90 HydrophobicContact CE2-CZ 4.14Å; F86-F90 AromaticContact CG-CD2 3.74Å; F86-F90 HydrophobicContact CG-CD2 3.74Å; F86-F90 HydrophobicContact CG-CE2 4.37Å; F86-F90 HydrophobicContact CZ-CB 4.1Å; F86-F90 HydrophobicContact CZ-CD1 4.43Å; F86-F90 AromaticContact CZ-CD2 3.76Å; F86-F90 HydrophobicContact CZ-CD2 3.76Å; F86-F90 HydrophobicContact CZ-CE2 4.27Å; F86-F90 AromaticContact CZ-CG 3.85Å; F86-F90 HydrophobicContact CZ-CG 3.85Å; F86-F90 WeakPolarHBondContact O-CA 3.29Å; F86-F90 VanDerWaalsContact O-CB 3.24Å; F86-F90 WeakPolarHBondContact O-CB 3.49Å; F86-F90 WeakPolarHBondContact O-CD2 3.33Å; F86-F90 PolarHBondContact O-N 3.06Å
87	E	59.2	Low	59.6	Low	116 Å²	116	57 Å²	57	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-66.8	-39.1	174.2	-74.3	178.4	167.8	0	0	112.3	L83 K84 T89 G91	L83-E87 HydrophobicContact CD2-CG 4.45Å; L83-E87 WeakPolarHBondContact CD2-OE1 3.31Å; L83-E87 HydrophobicContact CG-CG 4.1Å; L83-E87 PolarHBondContact O-N 2.84Å; K84-E87 PolarHBondContact O-N 3.42Å; E87-T89 PolarHBondContact O-N 2.97Å; E87-G91 CarbonylContact O-C 3.6Å; E87-G91 WeakPolarHBondContact O-CA 3.27Å; E87-G91 PolarHBondContact O-N 2.93Å
88	E	58.4	Low	59.6	Low	95 Å²	95	58.1 Å²	58.1	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-31.1	175.8	-75	173.9	-179.9	0	0	111.7	K84 Q92	K84-E88 WeakPolarHBondContact CE-OE1 3.42Å; K84-E88 HydrophobicContact CG-CG 4.47Å; K84-E88 WeakPolarHBondContact CG-OE1 3.03Å; K84-E88 VanDerWaalsContact O-CB 3.31Å; K84-E88 WeakPolarHBondContact O-CB 3.34Å; K84-E88 VanDerWaalsContact O-CG 3.24Å; K84-E88 WeakPolarHBondContact O-CG 3.42Å; K84-E88 PolarHBondContact O-N 2.98Å; E88-Q92 WeakPolarHBondContact O-CG 3.19Å; E88-Q92 PolarHBondContact O-NE2 3.38Å
89	T	50.5	Low	59.5	Low	25 Å²	25	61.8 Å²	61.8	15%	0.153	32%	0.32	C	S	.	.	H	α-helix	trans	-95.8	-44.2	-175.5	-55.4	0	0	0	0	113.1	M14 P85 F86 E87	M14-T89 HydrophobicContact CE-CG2 3.3Å; M14-T89 HydrophobicContact CG-CG2 4.27Å; M14-T89 HydrophobicContact SD-CG2 3.29Å; M14-T89 WeakPolarHBondContact SD-CG2 3.11Å; P85-T89 WeakPolarHBondContact O-CB 3.37Å; P85-T89 PolarHBondContact O-N 2.76Å; P85-T89 PolarHBondContact O-OG1 3.35Å; F86-T89 PolarHBondContact O-N 3.41Å; E87-T89 PolarHBondContact O-N 2.97Å
90	F	51.8	Low	59.8	Low	53 Å²	53	62.9 Å²	62.9	23%	0.232	33%	0.325	C	S	.	.	H	α-helix	trans	-100.9	-27.1	-176.2	-63.9	-85.3	0	0	0	113.1	M38 F86 Q92	M38-F90 HydrophobicContact CE-CD1 4.42Å; M38-F90 HydrophobicContact SD-CD1 3.54Å; M38-F90 VanDerWaalsContact SD-CD1 3.54Å; M38-F90 HydrophobicContact SD-CE1 3.42Å; M38-F90 WeakPolarHBondContact SD-CE1 3.04Å; M38-F90 HydrophobicContact SD-CZ 4.38Å; F86-F90 HydrophobicContact CB-CD2 4.47Å; F86-F90 HydrophobicContact CD1-CB 4.23Å; F86-F90 HydrophobicContact CD1-CD2 4.15Å; F86-F90 HydrophobicContact CD1-CG 4.5Å; F86-F90 AromaticContact CD2-CD2 3.31Å; F86-F90 HydrophobicContact CD2-CD2 3.31Å; F86-F90 AromaticContact CD2-CE2 3.53Å; F86-F90 HydrophobicContact CD2-CE2 3.53Å; F86-F90 HydrophobicContact CD2-CG 4.23Å; F86-F90 HydrophobicContact CE1-CB 3.95Å; F86-F90 HydrophobicContact CE1-CD2 4.16Å; F86-F90 HydrophobicContact CE1-CG 4.18Å; F86-F90 HydrophobicContact CE2-CD1 4.49Å; F86-F90 AromaticContact CE2-CD2 3.32Å; F86-F90 HydrophobicContact CE2-CD2 3.32Å; F86-F90 AromaticContact CE2-CE2 3.47Å; F86-F90 HydrophobicContact CE2-CE2 3.47Å; F86-F90 VanDerWaalsContact CE2-CE2 3.47Å; F86-F90 AromaticContact CE2-CG 3.89Å; F86-F90 HydrophobicContact CE2-CG 3.89Å; F86-F90 HydrophobicContact CE2-CZ 4.14Å; F86-F90 AromaticContact CG-CD2 3.74Å; F86-F90 HydrophobicContact CG-CD2 3.74Å; F86-F90 HydrophobicContact CG-CE2 4.37Å; F86-F90 HydrophobicContact CZ-CB 4.1Å; F86-F90 HydrophobicContact CZ-CD1 4.43Å; F86-F90 AromaticContact CZ-CD2 3.76Å; F86-F90 HydrophobicContact CZ-CD2 3.76Å; F86-F90 HydrophobicContact CZ-CE2 4.27Å; F86-F90 AromaticContact CZ-CG 3.85Å; F86-F90 HydrophobicContact CZ-CG 3.85Å; F86-F90 WeakPolarHBondContact O-CA 3.29Å; F86-F90 VanDerWaalsContact O-CB 3.24Å; F86-F90 WeakPolarHBondContact O-CB 3.49Å; F86-F90 WeakPolarHBondContact O-CD2 3.33Å; F86-F90 PolarHBondContact O-N 3.06Å; F90-Q92 VanDerWaalsContact C-N 3.25Å; F90-Q92 PolarHBondContact O-N 2.97Å
91	G	54	Low	59.9	Low	49 Å²	49	60 Å²	60	51%	0.505	31%	0.312	S	S	.	.	S	Bend	trans	-73.2	-17.2	174.5	0	0	0	0	0	113.4	E87 K93	E87-G91 CarbonylContact O-C 3.6Å; E87-G91 WeakPolarHBondContact O-CA 3.27Å; E87-G91 PolarHBondContact O-N 2.93Å; G91-K93 VanDerWaalsContact C-N 3.27Å; G91-K93 PolarHBondContact O-N 3.46Å
92	Q	59	Low	60	Low	63 Å²	63	59.8 Å²	59.8	29%	0.294	31%	0.313	S	S	.	.			trans	-86.4	65.8	174.6	-63.5	-166.2	58.8	0	0	111.4	E88 F90 H94 L95 I96	E88-Q92 WeakPolarHBondContact O-CG 3.19Å; E88-Q92 PolarHBondContact O-NE2 3.38Å; F90-Q92 VanDerWaalsContact C-N 3.25Å; F90-Q92 PolarHBondContact O-N 2.97Å; Q92-H94 PolarHBondContact O-N 3.39Å; Q92-H94 PolarHBondContact OE1-CE1 3.42Å; Q92-H94 VanDerWaalsContact OE1-CE1 3.24Å; Q92-L95 HydrophobicContact CB-CB 3.91Å; Q92-L95 HydrophobicContact CB-CD1 3.93Å; Q92-L95 HydrophobicContact CB-CG 3.84Å; Q92-L95 VanDerWaalsContact CD-CD1 3.44Å; Q92-L95 HydrophobicContact CG-CD1 4.29Å; Q92-L95 WeakPolarHBondContact O-CA 3.36Å; Q92-L95 WeakPolarHBondContact O-CB 3.21Å; Q92-L95 PolarHBondContact O-N 3.46Å; Q92-L95 VanDerWaalsContact OE1-CG 3.32Å; Q92-I96 PolarHBondContact O-N 2.87Å
93	K	58.7	Low	60.3	Low	80 Å²	80	62.5 Å²	62.5	35%	0.348	32%	0.324	S	S	.	.	H	α-helix	trans	-45.2	-39.5	176.4	-59.9	-179.1	177.2	-170.3	0	112.6	G91 I96 A97 M135	G91-K93 VanDerWaalsContact C-N 3.27Å; G91-K93 PolarHBondContact O-N 3.46Å; K93-I96 PolarHBondContact O-N 3.26Å; K93-A97 WeakPolarHBondContact O-CB 3.44Å; K93-A97 PolarHBondContact O-N 2.89Å; K93-M135 HydrophobicContact CB-SD 4.21Å; K93-M135 HydrophobicContact CD-CB 4.13Å; K93-M135 VanDerWaalsContact CD-O 3.31Å; K93-M135 WeakPolarHBondContact CD-O 3.31Å; K93-M135 WeakPolarHBondContact CE-O 3.27Å; K93-M135 HydrophobicContact CG-CB 4.09Å; K93-M135 HydrophobicContact CG-CG 4.38Å; K93-M135 HydrophobicContact CG-SD 4.15Å; K93-M135 PolarHBondContact NZ-O 2.93Å
94	H	54.3	Low	60.7	Low	95 Å²	95	62.1 Å²	62.1	44%	0.44	32%	0.322	S	S	.	.	H	α-helix	trans	-65.6	-38.7	176.8	74	-79.7	0	0	0	113.6	Q92 A97 L98	Q92-H94 PolarHBondContact O-N 3.39Å; Q92-H94 PolarHBondContact OE1-CE1 3.42Å; Q92-H94 VanDerWaalsContact OE1-CE1 3.24Å; H94-A97 PolarHBondContact O-N 3.04Å; H94-L98 VanDerWaalsContact O-CB 3.24Å; H94-L98 WeakPolarHBondContact O-CB 3.23Å; H94-L98 WeakPolarHBondContact O-CD1 3.46Å; H94-L98 WeakPolarHBondContact O-CG 3.45Å; H94-L98 PolarHBondContact O-N 3.08Å
95	L	58.5	Low	61	Low	75 Å²	75	59.7 Å²	59.7	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-69.7	-38.1	176.7	-73.1	-170	0	0	0	111.7	Q92 L98 T99	Q92-L95 HydrophobicContact CB-CB 3.91Å; Q92-L95 HydrophobicContact CB-CD1 3.93Å; Q92-L95 HydrophobicContact CB-CG 3.84Å; Q92-L95 VanDerWaalsContact CD-CD1 3.44Å; Q92-L95 HydrophobicContact CG-CD1 4.29Å; Q92-L95 WeakPolarHBondContact O-CA 3.36Å; Q92-L95 WeakPolarHBondContact O-CB 3.21Å; Q92-L95 PolarHBondContact O-N 3.46Å; Q92-L95 VanDerWaalsContact OE1-CG 3.32Å; L95-L98 HydrophobicContact CD2-CD1 4.4Å; L95-L98 PolarHBondContact O-N 3.39Å; L95-T99 WeakPolarHBondContact O-CB 3.31Å; L95-T99 PolarHBondContact O-N 2.76Å; L95-T99 PolarHBondContact O-OG1 3.02Å
96	I	59.8	Low	61.6	Low	27 Å²	27	62.1 Å²	62.1	14%	0.138	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-50.7	174.6	-64.6	172.1	0	0	0	108.8	Q92 K93 L98 T99 F100 T131 M135	Q92-I96 PolarHBondContact O-N 2.87Å; K93-I96 PolarHBondContact O-N 3.26Å; I96-L98 VanDerWaalsContact C-N 3.31Å; I96-L98 PolarHBondContact O-N 3.18Å; I96-T99 PolarHBondContact O-N 2.85Å; I96-F100 HydrophobicContact CG2-CD2 3.73Å; I96-F100 HydrophobicContact CG2-CE2 3.67Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 3.36Å; I96-F100 PolarHBondContact O-N 2.87Å; I96-T131 HydrophobicContact CG2-CG2 3.74Å; I96-M135 HydrophobicContact CB-CE 3.85Å; I96-M135 HydrophobicContact CB-SD 3.93Å; I96-M135 HydrophobicContact CD1-SD 3.5Å; I96-M135 VanDerWaalsContact CD1-SD 3.5Å; I96-M135 HydrophobicContact CG1-SD 4.29Å; I96-M135 HydrophobicContact CG2-CE 3.6Å; I96-M135 HydrophobicContact CG2-SD 3.94Å
97	A	60.3	Low	62.2	Low	1 Å²	1	61.8 Å²	61.8	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-55.5	-45.5	175.9	0	0	0	0	0	112.1	K93 H94 F100 M101 L132	K93-A97 WeakPolarHBondContact O-CB 3.44Å; K93-A97 PolarHBondContact O-N 2.89Å; H94-A97 PolarHBondContact O-N 3.04Å; A97-F100 PolarHBondContact O-N 3.24Å; A97-M101 HydrophobicContact CB-CE 4.33Å; A97-M101 WeakPolarHBondContact O-CB 3.38Å; A97-M101 WeakPolarHBondContact O-CG 3.5Å; A97-M101 PolarHBondContact O-N 3.28Å; A97-L132 HydrophobicContact CB-CD2 3.89Å
98	L	63.6	Low	62.9	Low	95 Å²	95	60.4 Å²	60.4	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-63.5	-41.5	177.4	-77.2	167.6	0	0	0	112.8	H94 L95 I96 M101 D102	H94-L98 VanDerWaalsContact O-CB 3.24Å; H94-L98 WeakPolarHBondContact O-CB 3.23Å; H94-L98 WeakPolarHBondContact O-CD1 3.46Å; H94-L98 WeakPolarHBondContact O-CG 3.45Å; H94-L98 PolarHBondContact O-N 3.08Å; L95-L98 HydrophobicContact CD2-CD1 4.4Å; L95-L98 PolarHBondContact O-N 3.39Å; I96-L98 VanDerWaalsContact C-N 3.31Å; I96-L98 PolarHBondContact O-N 3.18Å; L98-M101 HydrophobicContact CD2-CE 4.05Å; L98-M101 HydrophobicContact CG-CE 4.44Å; L98-M101 PolarHBondContact O-N 3.47Å; L98-D102 WeakPolarHBondContact O-CB 3.5Å; L98-D102 PolarHBondContact O-N 2.76Å
99	T	65.2	Low	63.5	Low	82 Å²	82	61.5 Å²	61.5	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-42.9	178.3	-57.1	0	0	0	0	110.7	L95 I96 D102 N103	L95-T99 WeakPolarHBondContact O-CB 3.31Å; L95-T99 PolarHBondContact O-N 2.76Å; L95-T99 PolarHBondContact O-OG1 3.02Å; I96-T99 PolarHBondContact O-N 2.85Å; T99-D102 PolarHBondContact O-N 3.41Å; T99-N103 WeakPolarHBondContact O-CB 3.37Å; T99-N103 VanDerWaalsContact O-CG 3.25Å; T99-N103 PolarHBondContact O-N 2.92Å; T99-N103 PolarHBondContact O-ND2 2.91Å
100	F	68	Low	64.4	Low	32 Å²	32	60.9 Å²	60.9	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-66.4	-41.4	174.2	-84.2	-75.2	0	0	0	112.5	I96 A97 D102 N103 L104 A127 Y128 T131	I96-F100 HydrophobicContact CG2-CD2 3.73Å; I96-F100 HydrophobicContact CG2-CE2 3.67Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 3.36Å; I96-F100 PolarHBondContact O-N 2.87Å; A97-F100 PolarHBondContact O-N 3.24Å; F100-D102 VanDerWaalsContact C-N 3.3Å; F100-D102 PolarHBondContact O-N 3.05Å; F100-N103 PolarHBondContact O-N 3.25Å; F100-L104 WeakPolarHBondContact O-CB 3.49Å; F100-L104 PolarHBondContact O-N 3.11Å; F100-A127 HydrophobicContact CE1-CB 4.44Å; F100-Y128 HydrophobicContact CB-CD2 3.13Å; F100-Y128 HydrophobicContact CB-CE2 3.36Å; F100-Y128 HydrophobicContact CB-CG 4.06Å; F100-Y128 HydrophobicContact CD1-CD2 4.01Å; F100-Y128 HydrophobicContact CD1-CG 4.46Å; F100-Y128 AromaticContact CD2-CD2 3.92Å; F100-Y128 HydrophobicContact CD2-CD2 3.92Å; F100-Y128 HydrophobicContact CD2-CE2 4.47Å; F100-Y128 AromaticContact CG-CD2 3.45Å; F100-Y128 HydrophobicContact CG-CD2 3.45Å; F100-Y128 VanDerWaalsContact CG-CD2 3.45Å; F100-Y128 HydrophobicContact CG-CE2 4.1Å; F100-Y128 HydrophobicContact CG-CG 4.31Å; F100-T131 HydrophobicContact CE2-CG2 3.88Å; F100-T131 HydrophobicContact CZ-CG2 4.5Å
101	M	66.6	Low	65.1	Low	39 Å²	39	67.9 Å²	67.9	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-41.3	173.7	-79.4	-167.5	-85.4	0	0	111.4	A97 L98 L104 L105 Y128	A97-M101 HydrophobicContact CB-CE 4.33Å; A97-M101 WeakPolarHBondContact O-CB 3.38Å; A97-M101 WeakPolarHBondContact O-CG 3.5Å; A97-M101 PolarHBondContact O-N 3.28Å; L98-M101 HydrophobicContact CD2-CE 4.05Å; L98-M101 HydrophobicContact CG-CE 4.44Å; L98-M101 PolarHBondContact O-N 3.47Å; M101-L104 PolarHBondContact O-N 3.44Å; M101-L105 WeakPolarHBondContact O-CB 3.47Å; M101-L105 WeakPolarHBondContact O-CG 3.37Å; M101-L105 PolarHBondContact O-N 2.99Å; M101-Y128 WeakPolarHBondContact CG-OH 3.29Å
102	D	66.4	Low	65.5	Low	85 Å²	85	74.1 Å²	74.1	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-43.2	176.4	-168.9	65.4	0	0	0	111.3	L98 T99 F100 L104 L105 N106	L98-D102 WeakPolarHBondContact O-CB 3.5Å; L98-D102 PolarHBondContact O-N 2.76Å; T99-D102 PolarHBondContact O-N 3.41Å; F100-D102 VanDerWaalsContact C-N 3.3Å; F100-D102 PolarHBondContact O-N 3.05Å; D102-L104 VanDerWaalsContact C-N 3.31Å; D102-L104 PolarHBondContact O-N 3.29Å; D102-L105 PolarHBondContact O-N 2.94Å; D102-N106 VanDerWaalsContact CG-ND2 3.25Å; D102-N106 VanDerWaalsContact O-CB 3.27Å; D102-N106 WeakPolarHBondContact O-CB 3.49Å; D102-N106 PolarHBondContact O-N 3.34Å; D102-N106 PolarHBondContact O-ND2 3.36Å; D102-N106 PolarHBondContact OD1-ND2 2.94Å; D102-N106 PolarHBondContact OD2-ND2 3.5Å
103	N	69.4	Low	65.8	Low	83 Å²	83	77.7 Å²	77.7	44%	0.444	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-39.7	173.3	-72.1	-22.4	0	0	0	112.2	T99 F100 F107	T99-N103 WeakPolarHBondContact O-CB 3.37Å; T99-N103 VanDerWaalsContact O-CG 3.25Å; T99-N103 PolarHBondContact O-N 2.92Å; T99-N103 PolarHBondContact O-ND2 2.91Å; F100-N103 PolarHBondContact O-N 3.25Å; N103-F107 PolarHBondContact O-N 3.47Å
104	L	70.6	Confident	66.2	Low	5 Å²	5	78.8 Å²	78.8	3%	0.026	39%	0.389	C	S	.	.	H	α-helix	trans	-68.8	-41.8	176	-175.6	62.3	0	0	0	111.9	F100 M101 D102 N106 F107 L121 M125 T146 T149 M150 K153	F100-L104 WeakPolarHBondContact O-CB 3.49Å; F100-L104 PolarHBondContact O-N 3.11Å; M101-L104 PolarHBondContact O-N 3.44Å; D102-L104 VanDerWaalsContact C-N 3.31Å; D102-L104 PolarHBondContact O-N 3.29Å; L104-N106 VanDerWaalsContact C-N 3.34Å; L104-F107 WeakPolarHBondContact O-CB 3.43Å; L104-F107 PolarHBondContact O-N 3.17Å; L104-L121 HydrophobicContact CD1-CD1 3.48Å; L104-L121 VanDerWaalsContact CD1-CD1 3.48Å; L104-M125 HydrophobicContact CB-CE 4.17Å; L104-M125 HydrophobicContact CD1-CE 3.32Å; L104-M125 HydrophobicContact CD1-SD 3.68Å; L104-M125 HydrophobicContact CD2-CE 3.69Å; L104-M125 HydrophobicContact CD2-SD 3.79Å; L104-M125 HydrophobicContact CG-CE 3.86Å; L104-M125 HydrophobicContact CG-SD 4.32Å; L104-T146 HydrophobicContact CD2-CG2 4.49Å; L104-T149 HydrophobicContact CD2-CG2 3.99Å; L104-T149 HydrophobicContact CG-CG2 3.99Å; L104-M150 HydrophobicContact CD2-CG 3.89Å; L104-K153 VanDerWaalsContact O-CE 3.23Å; L104-K153 WeakPolarHBondContact O-CE 3.3Å
105	L	69.9	Low	66.9	Low	73 Å²	73	78.4 Å²	78.4	38%	0.382	40%	0.395	S	S	.	.	H	α-helix	trans	-64.9	-39.5	177	-74.9	166.5	0	0	0	111.3	M101 D102 F107 T149 K153	M101-L105 WeakPolarHBondContact O-CB 3.47Å; M101-L105 WeakPolarHBondContact O-CG 3.37Å; M101-L105 PolarHBondContact O-N 2.99Å; D102-L105 PolarHBondContact O-N 2.94Å; L105-F107 VanDerWaalsContact C-N 3.26Å; L105-F107 PolarHBondContact O-N 2.8Å; L105-T149 HydrophobicContact CD2-CG2 3.51Å; L105-T149 HydrophobicContact CG-CG2 4.07Å; L105-K153 WeakPolarHBondContact O-CE 3.35Å; L105-K153 PolarHBondContact O-NZ 3.04Å
106	N	70.6	Confident	67.6	Low	110 Å²	110	80.1 Å²	80.1	59%	0.588	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.6	176	-68.2	-45.6	0	0	0	113.3	D102 L104	D102-N106 VanDerWaalsContact CG-ND2 3.25Å; D102-N106 VanDerWaalsContact O-CB 3.27Å; D102-N106 WeakPolarHBondContact O-CB 3.49Å; D102-N106 PolarHBondContact O-N 3.34Å; D102-N106 PolarHBondContact O-ND2 3.36Å; D102-N106 PolarHBondContact OD1-ND2 2.94Å; D102-N106 PolarHBondContact OD2-ND2 3.5Å; L104-N106 VanDerWaalsContact C-N 3.34Å
107	F	72.2	Confident	68.2	Low	15 Å²	15	79.6 Å²	79.6	7%	0.066	41%	0.407	C	S	.	.	S	Bend	trans	-61.6	131.8	178.1	-163.5	-88.1	0	0	0	110.7	N103 L104 L105 I110 K120 L121 E124 K153	N103-F107 PolarHBondContact O-N 3.47Å; L104-F107 WeakPolarHBondContact O-CB 3.43Å; L104-F107 PolarHBondContact O-N 3.17Å; L105-F107 VanDerWaalsContact C-N 3.26Å; L105-F107 PolarHBondContact O-N 2.8Å; F107-I110 HydrophobicContact CE1-CD1 4.18Å; F107-I110 HydrophobicContact CE1-CG1 3.92Å; F107-K120 HydrophobicContact CE2-CB 4.34Å; F107-K120 HydrophobicContact CE2-CD 4.01Å; F107-K120 HydrophobicContact CE2-CG 3.87Å; F107-K120 HydrophobicContact CZ-CB 3.97Å; F107-K120 HydrophobicContact CZ-CD 4.15Å; F107-K120 HydrophobicContact CZ-CG 3.99Å; F107-L121 HydrophobicContact CD1-CB 4.45Å; F107-L121 HydrophobicContact CD1-CD1 4.08Å; F107-L121 HydrophobicContact CD2-CD1 4.47Å; F107-L121 HydrophobicContact CE1-CB 3.79Å; F107-L121 HydrophobicContact CE1-CD1 4.25Å; F107-L121 HydrophobicContact CE2-CB 4.4Å; F107-L121 HydrophobicContact CG-CD1 4.21Å; F107-L121 HydrophobicContact CZ-CB 3.75Å; F107-E124 HydrophobicContact CD2-CG 4.26Å; F107-E124 HydrophobicContact CE2-CG 3.94Å; F107-K153 WeakPolarHBondContact O-CE 3.34Å; F107-K153 PolarHBondContact O-NZ 3.01Å
108	P	73.3	Confident	68.7	Low	87 Å²	87	83.3 Å²	83.3	57%	0.565	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-64.8	138.3	-178.4	25.7	-33.9	0	0	0	111.3	I110	P108-I110 PolarHBondContact O-N 2.94Å
109	N	69.9	Low	69.1	Low	117 Å²	117	86 Å²	86	63%	0.626	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-58.6	127.5	178.3	-70.3	-10.6	0	0	0	110.8	R111	N109-R111 PolarHBondContact O-N 2.85Å
110	I	70.9	Confident	69.6	Low	13 Å²	13	86.1 Å²	86.1	7%	0.067	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-77.3	121.1	-176.1	-56.5	167.8	0	0	0	109.2	F107 P108 G117 L118 L121 K153 P155	F107-I110 HydrophobicContact CE1-CD1 4.18Å; F107-I110 HydrophobicContact CE1-CG1 3.92Å; P108-I110 PolarHBondContact O-N 2.94Å; I110-G117 WeakPolarHBondContact CD1-O 3.24Å; I110-L118 HydrophobicContact CD1-CD2 3.72Å; I110-L118 HydrophobicContact CD1-CG 4.1Å; I110-L118 HydrophobicContact CG2-CD2 4.24Å; I110-L118 HydrophobicContact CG2-CG 3.77Å; I110-L121 HydrophobicContact CD1-CB 3.72Å; I110-L121 HydrophobicContact CD1-CD2 3.44Å; I110-L121 VanDerWaalsContact CD1-CD2 3.44Å; I110-L121 HydrophobicContact CD1-CG 4.2Å; I110-K153 PolarHBondContact N-O 3.41Å; I110-P155 HydrophobicContact CB-CG 4.34Å; I110-P155 HydrophobicContact CG2-CG 4.09Å
111	R	66.2	Low	69.8	Low	199 Å²	199	85.1 Å²	85.1	75%	0.751	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-80.8	148.8	172.4	-63.5	-178.8	176.8	-180	-1.6	110.1	N109 N113 Q114	N109-R111 PolarHBondContact O-N 2.85Å; R111-N113 PolarHBondContact O-N 3.35Å; R111-Q114 HydrophobicContact CB-CG 4.04Å; R111-Q114 WeakPolarHBondContact O-CB 3.23Å; R111-Q114 PolarHBondContact O-N 2.85Å
112	R	62.4	Low	70	Confident	181 Å²	181	86 Å²	86	68%	0.683	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-27.6	-179.1	-171.2	-175.8	-86.2	-170.7	-11.5	114.4	H157	R112-H157 PolarHBondContact NH2-O 3.29Å
113	N	65.6	Low	70.1	Confident	138 Å²	138	87.5 Å²	87.5	74%	0.738	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	27.7	-177.2	-157.6	30.8	0	0	0	113.5	R111	R111-N113 PolarHBondContact O-N 3.35Å
114	Q	65.8	Low	70.1	Confident	102 Å²	102	85.6 Å²	85.6	48%	0.477	42%	0.417	S	S	.	.			trans	-126.1	76	-178	-64.8	-69.8	-75.6	0	0	110.2	R111 D116 G117 L118	R111-Q114 HydrophobicContact CB-CG 4.04Å; R111-Q114 WeakPolarHBondContact O-CB 3.23Å; R111-Q114 PolarHBondContact O-N 2.85Å; Q114-D116 PolarHBondContact O-N 3.46Å; Q114-G117 PolarHBondContact O-N 3.25Å; Q114-L118 PolarHBondContact O-N 3.35Å
115	P	68.8	Low	70.2	Confident	87 Å²	87	86.5 Å²	86.5	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-57.2	-30.6	175.3	24.7	-33.6	0	0	0	111.8	G117 L118 R119	P115-G117 VanDerWaalsContact C-N 3.32Å; P115-G117 PolarHBondContact O-N 3.02Å; P115-L118 PolarHBondContact O-N 2.94Å; P115-R119 WeakPolarHBondContact O-CB 3.42Å; P115-R119 PolarHBondContact O-N 3.07Å
116	D	73.7	Confident	70.1	Confident	112 Å²	112	88.7 Å²	88.7	60%	0.599	43%	0.429	S	S	*	.	H	α-helix	trans	-66.4	-32.1	175.8	-59.4	-39.5	0	0	0	112.7	Q114 K120	Q114-D116 PolarHBondContact O-N 3.46Å; D116-K120 VanDerWaalsContact O-CB 3.24Å; D116-K120 WeakPolarHBondContact O-CB 2.94Å; D116-K120 PolarHBondContact O-N 3.35Å
117	G	72	Confident	70	Confident	16 Å²	16	84.6 Å²	84.6	17%	0.165	41%	0.411	C	S	.	.	H	α-helix	trans	-67.8	-44.2	177.1	0	0	0	0	0	112.4	I110 Q114 P115 K120 L121	I110-G117 WeakPolarHBondContact CD1-O 3.24Å; Q114-G117 PolarHBondContact O-N 3.25Å; P115-G117 VanDerWaalsContact C-N 3.32Å; P115-G117 PolarHBondContact O-N 3.02Å; G117-K120 PolarHBondContact O-N 3.16Å; G117-L121 WeakPolarHBondContact O-CB 3.4Å; G117-L121 PolarHBondContact O-N 3.45Å
118	L	71.8	Confident	69.8	Low	78 Å²	78	84 Å²	84	41%	0.408	41%	0.408	S	S	.	.	H	α-helix	trans	-65.8	-43.2	174.8	-77.5	167.6	0	0	0	111.4	I110 Q114 P115 K120 L121 S122 L154	I110-L118 HydrophobicContact CD1-CD2 3.72Å; I110-L118 HydrophobicContact CD1-CG 4.1Å; I110-L118 HydrophobicContact CG2-CD2 4.24Å; I110-L118 HydrophobicContact CG2-CG 3.77Å; Q114-L118 PolarHBondContact O-N 3.35Å; P115-L118 PolarHBondContact O-N 2.94Å; L118-K120 VanDerWaalsContact C-N 3.32Å; L118-K120 PolarHBondContact O-N 2.98Å; L118-L121 PolarHBondContact O-N 2.86Å; L118-S122 WeakPolarHBondContact O-CB 3.49Å; L118-S122 PolarHBondContact O-N 3.39Å; L118-L154 HydrophobicContact CD2-CD2 3.85Å
119	R	72.6	Confident	69.3	Low	152 Å²	152	81.9 Å²	81.9	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-60.7	-44	176	-173	-178	-65.2	-142.8	-1	111	P115 S122 R123	P115-R119 WeakPolarHBondContact O-CB 3.42Å; P115-R119 PolarHBondContact O-N 3.07Å; R119-S122 PolarHBondContact O-N 3.01Å; R119-R123 VanDerWaalsContact O-CG 3.23Å; R119-R123 WeakPolarHBondContact O-CG 3.4Å; R119-R123 PolarHBondContact O-N 3.3Å
120	K	74.7	Confident	69	Low	85 Å²	85	80.2 Å²	80.2	37%	0.37	39%	0.386	S	S	.	.	H	α-helix	trans	-64.5	-46.3	177.4	-169.8	-177.9	-179.2	177.1	0	111.2	F107 D116 G117 L118 S122 R123 E124	F107-K120 HydrophobicContact CE2-CB 4.34Å; F107-K120 HydrophobicContact CE2-CD 4.01Å; F107-K120 HydrophobicContact CE2-CG 3.87Å; F107-K120 HydrophobicContact CZ-CB 3.97Å; F107-K120 HydrophobicContact CZ-CD 4.15Å; F107-K120 HydrophobicContact CZ-CG 3.99Å; D116-K120 VanDerWaalsContact O-CB 3.24Å; D116-K120 WeakPolarHBondContact O-CB 2.94Å; D116-K120 PolarHBondContact O-N 3.35Å; G117-K120 PolarHBondContact O-N 3.16Å; L118-K120 VanDerWaalsContact C-N 3.32Å; L118-K120 PolarHBondContact O-N 2.98Å; K120-S122 PolarHBondContact O-N 2.91Å; K120-R123 WeakPolarHBondContact O-CB 3.23Å; K120-R123 PolarHBondContact O-N 3.36Å; K120-R123 VanDerWaalsContact O-N 3.11Å; K120-E124 WeakPolarHBondContact O-CG 3.47Å; K120-E124 PolarHBondContact O-N 3.43Å
121	L	72.9	Confident	68.6	Low	10 Å²	10	81 Å²	81	5%	0.052	39%	0.391	C	S	.	.	H	α-helix	trans	-59.6	-46.1	176.3	178.9	65	0	0	0	111.8	L104 F107 I110 G117 L118 R123 E124 M125 K153 L154	L104-L121 HydrophobicContact CD1-CD1 3.48Å; L104-L121 VanDerWaalsContact CD1-CD1 3.48Å; F107-L121 HydrophobicContact CD1-CB 4.45Å; F107-L121 HydrophobicContact CD1-CD1 4.08Å; F107-L121 HydrophobicContact CD2-CD1 4.47Å; F107-L121 HydrophobicContact CE1-CB 3.79Å; F107-L121 HydrophobicContact CE1-CD1 4.25Å; F107-L121 HydrophobicContact CE2-CB 4.4Å; F107-L121 HydrophobicContact CG-CD1 4.21Å; F107-L121 HydrophobicContact CZ-CB 3.75Å; I110-L121 HydrophobicContact CD1-CB 3.72Å; I110-L121 HydrophobicContact CD1-CD2 3.44Å; I110-L121 VanDerWaalsContact CD1-CD2 3.44Å; I110-L121 HydrophobicContact CD1-CG 4.2Å; G117-L121 WeakPolarHBondContact O-CB 3.4Å; G117-L121 PolarHBondContact O-N 3.45Å; L118-L121 PolarHBondContact O-N 2.86Å; L121-R123 PolarHBondContact O-N 3.17Å; L121-E124 PolarHBondContact O-N 2.87Å; L121-M125 HydrophobicContact CD1-CG 4.19Å; L121-M125 HydrophobicContact CG-CG 4.38Å; L121-M125 WeakPolarHBondContact O-CB 3.38Å; L121-M125 VanDerWaalsContact O-CG 3.23Å; L121-M125 WeakPolarHBondContact O-CG 3.49Å; L121-M125 PolarHBondContact O-N 3.47Å; L121-K153 HydrophobicContact CD2-CB 4.01Å; L121-L154 HydrophobicContact CD2-CD2 4.09Å
122	S	71.2	Confident	68.5	Low	59 Å²	59	71.5 Å²	71.5	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-57.5	-37.9	176.2	-177.1	0	0	0	0	112.1	L118 R119 K120 Q126	L118-S122 WeakPolarHBondContact O-CB 3.49Å; L118-S122 PolarHBondContact O-N 3.39Å; R119-S122 PolarHBondContact O-N 3.01Å; K120-S122 PolarHBondContact O-N 2.91Å; S122-Q126 WeakPolarHBondContact O-CB 3.12Å; S122-Q126 VanDerWaalsContact O-CG 3.3Å; S122-Q126 WeakPolarHBondContact O-CG 3.24Å; S122-Q126 PolarHBondContact O-N 2.9Å
123	R	68.1	Low	68.5	Low	115 Å²	115	68.3 Å²	68.3	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-70.2	-46.5	178.4	-73.6	171	178.4	-162.6	-3.9	111.9	R119 K120 L121 M125 Q126 A127	R119-R123 VanDerWaalsContact O-CG 3.23Å; R119-R123 WeakPolarHBondContact O-CG 3.4Å; R119-R123 PolarHBondContact O-N 3.3Å; K120-R123 WeakPolarHBondContact O-CB 3.23Å; K120-R123 PolarHBondContact O-N 3.36Å; K120-R123 VanDerWaalsContact O-N 3.11Å; L121-R123 PolarHBondContact O-N 3.17Å; R123-M125 PolarHBondContact O-N 3.02Å; R123-Q126 PolarHBondContact O-N 3.19Å; R123-A127 WeakPolarHBondContact O-CB 3.45Å; R123-A127 PolarHBondContact O-N 3.46Å
124	E	69.7	Low	68.1	Low	44 Å²	44	64.6 Å²	64.6	21%	0.206	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-40.6	174.2	-63.9	-60.2	154.8	0	0	110.9	F107 K120 L121 A127 Y128	F107-E124 HydrophobicContact CD2-CG 4.26Å; F107-E124 HydrophobicContact CE2-CG 3.94Å; K120-E124 WeakPolarHBondContact O-CG 3.47Å; K120-E124 PolarHBondContact O-N 3.43Å; L121-E124 PolarHBondContact O-N 2.87Å; E124-A127 PolarHBondContact O-N 3.36Å; E124-Y128 WeakPolarHBondContact O-CB 3.35Å; E124-Y128 PolarHBondContact O-N 2.91Å
125	M	71.7	Confident	67.9	Low	24 Å²	24	60.5 Å²	60.5	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-68.4	-40.6	177.5	-66.5	-63.5	79.6	0	0	113.1	L104 L121 R123 Y128 C129 M150	L104-M125 HydrophobicContact CB-CE 4.17Å; L104-M125 HydrophobicContact CD1-CE 3.32Å; L104-M125 HydrophobicContact CD1-SD 3.68Å; L104-M125 HydrophobicContact CD2-CE 3.69Å; L104-M125 HydrophobicContact CD2-SD 3.79Å; L104-M125 HydrophobicContact CG-CE 3.86Å; L104-M125 HydrophobicContact CG-SD 4.32Å; L121-M125 HydrophobicContact CD1-CG 4.19Å; L121-M125 HydrophobicContact CG-CG 4.38Å; L121-M125 WeakPolarHBondContact O-CB 3.38Å; L121-M125 VanDerWaalsContact O-CG 3.23Å; L121-M125 WeakPolarHBondContact O-CG 3.49Å; L121-M125 PolarHBondContact O-N 3.47Å; R123-M125 PolarHBondContact O-N 3.02Å; M125-Y128 HydrophobicContact CE-CD1 4.25Å; M125-Y128 PolarHBondContact O-N 2.87Å; M125-C129 WeakPolarHBondContact O-CB 3.4Å; M125-C129 PolarHBondContact O-N 2.85Å; M125-C129 PolarHBondContact O-SG 3.41Å; M125-M150 HydrophobicContact SD-CE 3.33Å; M125-M150 WeakPolarHBondContact SD-CE 3.39Å; M125-M150 HydrophobicContact SD-CG 3.58Å; M125-M150 VanDerWaalsContact SD-CG 3.58Å; M125-M150 HydrophobicContact SD-SD 3.73Å
126	Q	68.4	Low	67.6	Low	118 Å²	118	63.1 Å²	63.1	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-63.7	-43.3	173.9	-77.7	173.9	-6.4	0	0	111.7	S122 R123 Y128 C129 L130	S122-Q126 WeakPolarHBondContact O-CB 3.12Å; S122-Q126 VanDerWaalsContact O-CG 3.3Å; S122-Q126 WeakPolarHBondContact O-CG 3.24Å; S122-Q126 PolarHBondContact O-N 2.9Å; R123-Q126 PolarHBondContact O-N 3.19Å; Q126-Y128 VanDerWaalsContact C-N 3.32Å; Q126-Y128 PolarHBondContact O-N 3.46Å; Q126-C129 PolarHBondContact O-N 3.42Å; Q126-L130 WeakPolarHBondContact O-CB 3.44Å; Q126-L130 VanDerWaalsContact O-CG 3.27Å; Q126-L130 WeakPolarHBondContact O-CG 3.48Å; Q126-L130 PolarHBondContact O-N 3.08Å
127	A	68.2	Low	66.9	Low	25 Å²	25	60.5 Å²	60.5	21%	0.207	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-43.1	175.5	0	0	0	0	0	111.4	F100 R123 E124 T131	F100-A127 HydrophobicContact CE1-CB 4.44Å; R123-A127 WeakPolarHBondContact O-CB 3.45Å; R123-A127 PolarHBondContact O-N 3.46Å; E124-A127 PolarHBondContact O-N 3.36Å; A127-T131 WeakPolarHBondContact O-CB 3.37Å; A127-T131 PolarHBondContact O-N 3.08Å; A127-T131 PolarHBondContact O-OG1 3.2Å
128	Y	68.7	Low	66.2	Low	1 Å²	1	62.3 Å²	62.3	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-46.2	175.7	-178	-127.2	0	0	0	112.7	F100 M101 E124 M125 Q126 T131 L132 L141 T146	F100-Y128 HydrophobicContact CB-CD2 3.13Å; F100-Y128 HydrophobicContact CB-CE2 3.36Å; F100-Y128 HydrophobicContact CB-CG 4.06Å; F100-Y128 HydrophobicContact CD1-CD2 4.01Å; F100-Y128 HydrophobicContact CD1-CG 4.46Å; F100-Y128 AromaticContact CD2-CD2 3.92Å; F100-Y128 HydrophobicContact CD2-CD2 3.92Å; F100-Y128 HydrophobicContact CD2-CE2 4.47Å; F100-Y128 AromaticContact CG-CD2 3.45Å; F100-Y128 HydrophobicContact CG-CD2 3.45Å; F100-Y128 VanDerWaalsContact CG-CD2 3.45Å; F100-Y128 HydrophobicContact CG-CE2 4.1Å; F100-Y128 HydrophobicContact CG-CG 4.31Å; M101-Y128 WeakPolarHBondContact CG-OH 3.29Å; E124-Y128 WeakPolarHBondContact O-CB 3.35Å; E124-Y128 PolarHBondContact O-N 2.91Å; M125-Y128 HydrophobicContact CE-CD1 4.25Å; M125-Y128 PolarHBondContact O-N 2.87Å; Q126-Y128 VanDerWaalsContact C-N 3.32Å; Q126-Y128 PolarHBondContact O-N 3.46Å; Y128-T131 PolarHBondContact O-N 3.47Å; Y128-L132 HydrophobicContact CD1-CD1 4.24Å; Y128-L132 HydrophobicContact CD2-CD1 3.88Å; Y128-L132 HydrophobicContact CD2-CG 4.1Å; Y128-L132 HydrophobicContact CE1-CD1 3.65Å; Y128-L132 HydrophobicContact CE2-CD1 3.28Å; Y128-L132 HydrophobicContact CE2-CD2 4.43Å; Y128-L132 HydrophobicContact CE2-CG 3.8Å; Y128-L132 HydrophobicContact CG-CD1 4.37Å; Y128-L132 WeakPolarHBondContact O-CB 3.42Å; Y128-L132 PolarHBondContact O-N 3.33Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.36Å; Y128-L141 HydrophobicContact CD1-CD2 3.38Å; Y128-L141 HydrophobicContact CE1-CD2 3.45Å; Y128-L141 VanDerWaalsContact CE1-CD2 3.45Å; Y128-L141 HydrophobicContact CG-CD2 4.16Å; Y128-T146 HydrophobicContact CE1-CG2 3.71Å
129	C	62.6	Low	65.6	Low	43 Å²	43	63 Å²	63	29%	0.291	32%	0.32	S	S	.	.	H	α-helix	trans	-58.9	-51.1	176.8	-72	0	0	0	0	111.5	M125 Q126 T131 L132 E133 L141	M125-C129 WeakPolarHBondContact O-CB 3.4Å; M125-C129 PolarHBondContact O-N 2.85Å; M125-C129 PolarHBondContact O-SG 3.41Å; Q126-C129 PolarHBondContact O-N 3.42Å; C129-T131 VanDerWaalsContact C-N 3.33Å; C129-T131 PolarHBondContact O-N 3.18Å; C129-L132 PolarHBondContact O-N 2.8Å; C129-E133 WeakPolarHBondContact O-CB 3.33Å; C129-E133 WeakPolarHBondContact O-CG 3.37Å; C129-E133 PolarHBondContact O-N 2.84Å; C129-L141 HydrophobicContact CB-CD1 4.22Å; C129-L141 HydrophobicContact CB-CD2 4.35Å
130	L	63	Low	64.9	Low	82 Å²	82	57.8 Å²	57.8	43%	0.429	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-46.4	179.3	-70.3	169.3	0	0	0	111	Q126 L132 E133 Q134	Q126-L130 WeakPolarHBondContact O-CB 3.44Å; Q126-L130 VanDerWaalsContact O-CG 3.27Å; Q126-L130 WeakPolarHBondContact O-CG 3.48Å; Q126-L130 PolarHBondContact O-N 3.08Å; L130-L132 PolarHBondContact O-N 3.09Å; L130-E133 PolarHBondContact O-N 3.43Å; L130-Q134 VanDerWaalsContact O-CB 3.31Å; L130-Q134 WeakPolarHBondContact O-CB 3.47Å; L130-Q134 WeakPolarHBondContact O-CG 3.36Å; L130-Q134 PolarHBondContact O-N 3.45Å; L130-Q134 PolarHBondContact O-OE1 3.47Å; L130-Q134 VanDerWaalsContact O-OE1 3.11Å
131	T	62.6	Low	64.1	Low	29 Å²	29	54.5 Å²	54.5	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-42.3	-179.6	-51.4	0	0	0	0	111.5	I96 F100 A127 Y128 C129 Q134 M135	I96-T131 HydrophobicContact CG2-CG2 3.74Å; F100-T131 HydrophobicContact CE2-CG2 3.88Å; F100-T131 HydrophobicContact CZ-CG2 4.5Å; A127-T131 WeakPolarHBondContact O-CB 3.37Å; A127-T131 PolarHBondContact O-N 3.08Å; A127-T131 PolarHBondContact O-OG1 3.2Å; Y128-T131 PolarHBondContact O-N 3.47Å; C129-T131 VanDerWaalsContact C-N 3.33Å; C129-T131 PolarHBondContact O-N 3.18Å; T131-Q134 PolarHBondContact O-N 3.17Å; T131-M135 HydrophobicContact CG2-CE 3.9Å; T131-M135 HydrophobicContact CG2-SD 4.31Å; T131-M135 WeakPolarHBondContact O-CB 3.13Å; T131-M135 VanDerWaalsContact O-CG 3.27Å; T131-M135 WeakPolarHBondContact O-CG 3.27Å; T131-M135 PolarHBondContact O-N 3.45Å
132	L	63.9	Low	63.4	Low	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-73.8	-35.6	178.8	-76.5	-177.8	0	0	0	113.8	A97 Y128 C129 L130 Q134 M135 N136 H137 D140 L141	A97-L132 HydrophobicContact CB-CD2 3.89Å; Y128-L132 HydrophobicContact CD1-CD1 4.24Å; Y128-L132 HydrophobicContact CD2-CD1 3.88Å; Y128-L132 HydrophobicContact CD2-CG 4.1Å; Y128-L132 HydrophobicContact CE1-CD1 3.65Å; Y128-L132 HydrophobicContact CE2-CD1 3.28Å; Y128-L132 HydrophobicContact CE2-CD2 4.43Å; Y128-L132 HydrophobicContact CE2-CG 3.8Å; Y128-L132 HydrophobicContact CG-CD1 4.37Å; Y128-L132 WeakPolarHBondContact O-CB 3.42Å; Y128-L132 PolarHBondContact O-N 3.33Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.36Å; C129-L132 PolarHBondContact O-N 2.8Å; L130-L132 PolarHBondContact O-N 3.09Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-M135 HydrophobicContact CD2-CE 3.54Å; L132-M135 HydrophobicContact CG-CE 4.39Å; L132-M135 PolarHBondContact O-N 3.18Å; L132-N136 PolarHBondContact O-N 3.36Å; L132-H137 HydrophobicContact CD2-CB 4.08Å; L132-H137 CarbonylContact O-C 3.46Å; L132-H137 PolarHBondContact O-N 3.26Å; L132-D140 HydrophobicContact CD1-CB 4.01Å; L132-L141 HydrophobicContact CB-CD1 3.84Å; L132-L141 HydrophobicContact CB-CD2 4.24Å; L132-L141 HydrophobicContact CB-CG 3.82Å; L132-L141 HydrophobicContact CD1-CB 4.5Å; L132-L141 HydrophobicContact CD1-CD1 4.42Å; L132-L141 HydrophobicContact CD1-CD2 3.52Å; L132-L141 HydrophobicContact CD1-CG 3.48Å; L132-L141 VanDerWaalsContact CD1-CG 3.48Å; L132-L141 HydrophobicContact CG-CD2 4.38Å; L132-L141 HydrophobicContact CG-CG 4.27Å
133	E	62.7	Low	63.1	Low	113 Å²	113	59.1 Å²	59.1	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-45.7	170.3	-78.7	178.1	-180	0	0	110.7	C129 L130 M135 N136 V138	C129-E133 WeakPolarHBondContact O-CB 3.33Å; C129-E133 WeakPolarHBondContact O-CG 3.37Å; C129-E133 PolarHBondContact O-N 2.84Å; L130-E133 PolarHBondContact O-N 3.43Å; E133-M135 VanDerWaalsContact C-N 3.33Å; E133-M135 PolarHBondContact O-N 2.84Å; E133-N136 PolarHBondContact O-N 2.77Å; E133-V138 HydrophobicContact CB-CG2 4.41Å; E133-V138 HydrophobicContact CG-CG2 3.94Å
134	Q	57.1	Low	63	Low	60 Å²	60	58 Å²	58	28%	0.28	32%	0.32	S	S	.	.	H	α-helix	trans	-68.9	-32.8	-179.7	-69.9	157.1	-5.4	0	0	112.5	T35 I39 L130 T131 L132 N136	T35-Q134 HydrophobicContact CG2-CG 4.39Å; I39-Q134 HydrophobicContact CD1-CG 4.25Å; L130-Q134 VanDerWaalsContact O-CB 3.31Å; L130-Q134 WeakPolarHBondContact O-CB 3.47Å; L130-Q134 WeakPolarHBondContact O-CG 3.36Å; L130-Q134 PolarHBondContact O-N 3.45Å; L130-Q134 PolarHBondContact O-OE1 3.47Å; L130-Q134 VanDerWaalsContact O-OE1 3.11Å; T131-Q134 PolarHBondContact O-N 3.17Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; Q134-N136 PolarHBondContact O-N 2.99Å
135	M	61.4	Low	63	Low	17 Å²	17	63.6 Å²	63.6	8%	0.084	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	3.8	172.5	-68.3	-172.8	-52.5	0	0	113.3	K93 I96 T131 L132 E133 H137	K93-M135 HydrophobicContact CB-SD 4.21Å; K93-M135 HydrophobicContact CD-CB 4.13Å; K93-M135 VanDerWaalsContact CD-O 3.31Å; K93-M135 WeakPolarHBondContact CD-O 3.31Å; K93-M135 WeakPolarHBondContact CE-O 3.27Å; K93-M135 HydrophobicContact CG-CB 4.09Å; K93-M135 HydrophobicContact CG-CG 4.38Å; K93-M135 HydrophobicContact CG-SD 4.15Å; K93-M135 PolarHBondContact NZ-O 2.93Å; I96-M135 HydrophobicContact CB-CE 3.85Å; I96-M135 HydrophobicContact CB-SD 3.93Å; I96-M135 HydrophobicContact CD1-SD 3.5Å; I96-M135 VanDerWaalsContact CD1-SD 3.5Å; I96-M135 HydrophobicContact CG1-SD 4.29Å; I96-M135 HydrophobicContact CG2-CE 3.6Å; I96-M135 HydrophobicContact CG2-SD 3.94Å; T131-M135 HydrophobicContact CG2-CE 3.9Å; T131-M135 HydrophobicContact CG2-SD 4.31Å; T131-M135 WeakPolarHBondContact O-CB 3.13Å; T131-M135 VanDerWaalsContact O-CG 3.27Å; T131-M135 WeakPolarHBondContact O-CG 3.27Å; T131-M135 PolarHBondContact O-N 3.45Å; L132-M135 HydrophobicContact CD2-CE 3.54Å; L132-M135 HydrophobicContact CG-CE 4.39Å; L132-M135 PolarHBondContact O-N 3.18Å; E133-M135 VanDerWaalsContact C-N 3.33Å; E133-M135 PolarHBondContact O-N 2.84Å; M135-H137 HydrophobicContact CB-CB 4.36Å; M135-H137 PolarHBondContact O-N 3.24Å
136	N	62	Low	62.7	Low	142 Å²	142	62.6 Å²	62.6	76%	0.759	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	32.5	-173.9	-161.7	28.5	0	0	0	112.5	L132 E133 Q134	L132-N136 PolarHBondContact O-N 3.36Å; E133-N136 PolarHBondContact O-N 2.77Å; Q134-N136 PolarHBondContact O-N 2.99Å
137	H	59.3	Low	62.8	Low	57 Å²	57	60.9 Å²	60.9	26%	0.264	33%	0.328	S	S	.	.			trans	-119.2	35.7	-175.7	-145.4	-58.2	0	0	0	111.3	L132 M135 S139 D140	L132-H137 HydrophobicContact CD2-CB 4.08Å; L132-H137 CarbonylContact O-C 3.46Å; L132-H137 PolarHBondContact O-N 3.26Å; M135-H137 HydrophobicContact CB-CB 4.36Å; M135-H137 PolarHBondContact O-N 3.24Å; H137-S139 PolarHBondContact O-N 3.26Å; H137-D140 IonicContact CE1-OD1 3.17Å; H137-D140 PolarHBondContact CE1-OD1 2.81Å; H137-D140 IonicContact CE1-OD2 3.08Å; H137-D140 PolarHBondContact CE1-OD2 3.08Å; H137-D140 IonicContact ND1-OD1 3.98Å; H137-D140 PolarHBondContact ND1-OD1 3Å; H137-D140 IonicContact ND1-OD2 3.09Å; H137-D140 PolarHBondContact ND1-OD2 3.29Å; H137-D140 VanDerWaalsContact ND1-OD2 3.09Å; H137-D140 IonicContact NE2-OD2 3.74Å; H137-D140 PolarHBondContact O-N 3.38Å; H137-D140 VanDerWaalsContact O-N 3.07Å
138	V	58.2	Low	63	Low	53 Å²	53	65.6 Å²	65.6	32%	0.321	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-55	-23.7	178.5	-175.5	0	0	0	0	112.3	E133 D140 L141 N142	E133-V138 HydrophobicContact CB-CG2 4.41Å; E133-V138 HydrophobicContact CG-CG2 3.94Å; V138-D140 PolarHBondContact O-N 2.95Å; V138-L141 HydrophobicContact CG1-CD1 4.29Å; V138-L141 WeakPolarHBondContact O-CB 3.19Å; V138-L141 PolarHBondContact O-N 3.33Å; V138-L141 VanDerWaalsContact O-N 3.08Å; V138-N142 PolarHBondContact O-N 2.93Å
139	S	58.5	Low	63.1	Low	94 Å²	94	66.4 Å²	66.4	66%	0.657	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-55.9	-30.3	175.6	-53.2	0	0	0	0	113.7	H137 S143	H137-S139 PolarHBondContact O-N 3.26Å; S139-S143 PolarHBondContact O-N 3.02Å
140	D	57.9	Low	63.3	Low	42 Å²	42	66.5 Å²	66.5	23%	0.225	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-79.9	-24.1	179.6	-73.4	-1.6	0	0	0	112.6	L132 H137 V138 S143 T146	L132-D140 HydrophobicContact CD1-CB 4.01Å; H137-D140 IonicContact CE1-OD1 3.17Å; H137-D140 PolarHBondContact CE1-OD1 2.81Å; H137-D140 IonicContact CE1-OD2 3.08Å; H137-D140 PolarHBondContact CE1-OD2 3.08Å; H137-D140 IonicContact ND1-OD1 3.98Å; H137-D140 PolarHBondContact ND1-OD1 3Å; H137-D140 IonicContact ND1-OD2 3.09Å; H137-D140 PolarHBondContact ND1-OD2 3.29Å; H137-D140 VanDerWaalsContact ND1-OD2 3.09Å; H137-D140 IonicContact NE2-OD2 3.74Å; H137-D140 PolarHBondContact O-N 3.38Å; H137-D140 VanDerWaalsContact O-N 3.07Å; V138-D140 PolarHBondContact O-N 2.95Å; D140-S143 WeakPolarHBondContact O-CB 3.23Å; D140-S143 PolarHBondContact O-N 3.44Å; D140-T146 PolarHBondContact O-OG1 3.32Å
141	L	58.3	Low	63.8	Low	16 Å²	16	66.9 Å²	66.9	8%	0.084	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-39.3	172.8	-69.2	169	0	0	0	111.4	Y128 C129 L132 V138 S143	Y128-L141 HydrophobicContact CD1-CD2 3.38Å; Y128-L141 HydrophobicContact CE1-CD2 3.45Å; Y128-L141 VanDerWaalsContact CE1-CD2 3.45Å; Y128-L141 HydrophobicContact CG-CD2 4.16Å; C129-L141 HydrophobicContact CB-CD1 4.22Å; C129-L141 HydrophobicContact CB-CD2 4.35Å; L132-L141 HydrophobicContact CB-CD1 3.84Å; L132-L141 HydrophobicContact CB-CD2 4.24Å; L132-L141 HydrophobicContact CB-CG 3.82Å; L132-L141 HydrophobicContact CD1-CB 4.5Å; L132-L141 HydrophobicContact CD1-CD1 4.42Å; L132-L141 HydrophobicContact CD1-CD2 3.52Å; L132-L141 HydrophobicContact CD1-CG 3.48Å; L132-L141 VanDerWaalsContact CD1-CG 3.48Å; L132-L141 HydrophobicContact CG-CD2 4.38Å; L132-L141 HydrophobicContact CG-CG 4.27Å; V138-L141 HydrophobicContact CG1-CD1 4.29Å; V138-L141 WeakPolarHBondContact O-CB 3.19Å; V138-L141 PolarHBondContact O-N 3.33Å; V138-L141 VanDerWaalsContact O-N 3.08Å; L141-S143 VanDerWaalsContact C-N 3.26Å; L141-S143 PolarHBondContact O-N 3.43Å
142	N	58.7	Low	64.3	Low	116 Å²	116	69 Å²	69	62%	0.62	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	6	-178.9	-68.8	-39	0	0	0	113.4	V138 T144	V138-N142 PolarHBondContact O-N 2.93Å; N142-T144 PolarHBondContact O-N 3.22Å
143	S	64.8	Low	64.6	Low	49 Å²	49	69.9 Å²	69.9	34%	0.343	37%	0.373	S	S	.	.			trans	-64.8	129	172.9	-178.3	0	0	0	0	109.5	S139 D140 L141 R145 T146 I147	S139-S143 PolarHBondContact O-N 3.02Å; D140-S143 WeakPolarHBondContact O-CB 3.23Å; D140-S143 PolarHBondContact O-N 3.44Å; L141-S143 VanDerWaalsContact C-N 3.26Å; L141-S143 PolarHBondContact O-N 3.43Å; S143-R145 PolarHBondContact O-N 3.22Å; S143-T146 WeakPolarHBondContact O-CB 3.45Å; S143-T146 PolarHBondContact O-N 3.5Å; S143-I147 PolarHBondContact O-N 3.21Å
144	T	66.4	Low	64.9	Low	93 Å²	93	68.4 Å²	68.4	57%	0.571	37%	0.368	S	S	*	.	H	α-helix	trans	-47.7	-38.1	175.9	-50.1	0	0	0	0	111.5	N142 T146 I147 E148	N142-T144 PolarHBondContact O-N 3.22Å; T144-T146 PolarHBondContact O-N 2.89Å; T144-I147 PolarHBondContact O-N 3.36Å; T144-E148 HydrophobicContact CG2-CG 4.2Å; T144-E148 WeakPolarHBondContact O-CB 3.29Å; T144-E148 VanDerWaalsContact O-CG 3.25Å; T144-E148 WeakPolarHBondContact O-CG 3.47Å; T144-E148 PolarHBondContact O-N 3.04Å
145	R	68.3	Low	65.3	Low	161 Å²	161	67.9 Å²	67.9	61%	0.608	37%	0.37	S	S	*	.	H	α-helix	trans	-62.8	-40.4	179.3	-172.8	178.5	-178.2	-176.3	-0.8	113	S143 T149	S143-R145 PolarHBondContact O-N 3.22Å; R145-T149 WeakPolarHBondContact O-CB 3.43Å; R145-T149 PolarHBondContact O-N 3.47Å; R145-T149 PolarHBondContact O-OG1 2.78Å
146	T	66.6	Low	65.3	Low	2 Å²	2	72.5 Å²	72.5	1%	0.012	40%	0.4	C	S	.	.	H	α-helix	trans	-66.1	-48	177.7	-50.5	0	0	0	0	109.4	L104 Y128 D140 S143 T144 E148 T149 M150	L104-T146 HydrophobicContact CD2-CG2 4.49Å; Y128-T146 HydrophobicContact CE1-CG2 3.71Å; D140-T146 PolarHBondContact O-OG1 3.32Å; S143-T146 WeakPolarHBondContact O-CB 3.45Å; S143-T146 PolarHBondContact O-N 3.5Å; T144-T146 PolarHBondContact O-N 2.89Å; T146-E148 PolarHBondContact O-N 3.45Å; T146-T149 WeakPolarHBondContact O-CB 3.46Å; T146-T149 PolarHBondContact O-N 2.91Å; T146-M150 HydrophobicContact CG2-CE 3.38Å; T146-M150 VanDerWaalsContact O-CG 3.29Å; T146-M150 WeakPolarHBondContact O-CG 3.43Å; T146-M150 PolarHBondContact O-N 2.95Å
147	I	69	Low	65.1	Low	82 Å²	82	73 Å²	73	42%	0.421	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-46	179.5	-61.4	171.8	0	0	0	111.1	S143 T144 T149 M150 V151	S143-I147 PolarHBondContact O-N 3.21Å; T144-I147 PolarHBondContact O-N 3.36Å; I147-T149 VanDerWaalsContact C-N 3.31Å; I147-T149 PolarHBondContact O-N 3.35Å; I147-M150 WeakPolarHBondContact O-CB 3.45Å; I147-M150 PolarHBondContact O-N 3.45Å; I147-V151 HydrophobicContact CG2-CG2 4.41Å; I147-V151 VanDerWaalsContact O-CG2 3.3Å; I147-V151 WeakPolarHBondContact O-CG2 3.3Å; I147-V151 PolarHBondContact O-N 3.27Å
148	E	73.3	Confident	64.3	Low	124 Å²	124	79.9 Å²	79.9	58%	0.579	44%	0.443	S	S	*	.	H	α-helix	trans	-59.2	-42.4	175.9	-76.9	175.2	164.7	0	0	111.8	T144 T146 V151 S152	T144-E148 HydrophobicContact CG2-CG 4.2Å; T144-E148 WeakPolarHBondContact O-CB 3.29Å; T144-E148 VanDerWaalsContact O-CG 3.25Å; T144-E148 WeakPolarHBondContact O-CG 3.47Å; T144-E148 PolarHBondContact O-N 3.04Å; T146-E148 PolarHBondContact O-N 3.45Å; E148-V151 PolarHBondContact O-N 3.31Å; E148-S152 WeakPolarHBondContact O-CB 3.25Å; E148-S152 PolarHBondContact O-N 2.93Å
149	T	70.4	Confident	64.6	Low	19 Å²	19	81.3 Å²	81.3	12%	0.117	45%	0.449	C	S	.	.	H	α-helix	trans	-62.6	-46.3	176.6	-57.7	0	0	0	0	110.5	L104 L105 R145 T146 I147 V151 S152 K153	L104-T149 HydrophobicContact CD2-CG2 3.99Å; L104-T149 HydrophobicContact CG-CG2 3.99Å; L105-T149 HydrophobicContact CD2-CG2 3.51Å; L105-T149 HydrophobicContact CG-CG2 4.07Å; R145-T149 WeakPolarHBondContact O-CB 3.43Å; R145-T149 PolarHBondContact O-N 3.47Å; R145-T149 PolarHBondContact O-OG1 2.78Å; T146-T149 WeakPolarHBondContact O-CB 3.46Å; T146-T149 PolarHBondContact O-N 2.91Å; I147-T149 VanDerWaalsContact C-N 3.31Å; I147-T149 PolarHBondContact O-N 3.35Å; T149-V151 PolarHBondContact O-N 3.21Å; T149-S152 PolarHBondContact O-N 2.91Å; T149-S152 PolarHBondContact O-OG 3.46Å; T149-K153 WeakPolarHBondContact O-CG 3.36Å; T149-K153 PolarHBondContact O-N 3.4Å
150	M	68.2	Low	64.9	Low	45 Å²	45	80.6 Å²	80.6	22%	0.222	44%	0.438	C	S	.	.	H	α-helix	trans	-58.2	-49.2	176.8	-66.8	177.8	-167.6	0	0	111.6	L104 M125 T146 I147 S152 K153 L154	L104-M150 HydrophobicContact CD2-CG 3.89Å; M125-M150 HydrophobicContact SD-CE 3.33Å; M125-M150 WeakPolarHBondContact SD-CE 3.39Å; M125-M150 HydrophobicContact SD-CG 3.58Å; M125-M150 VanDerWaalsContact SD-CG 3.58Å; M125-M150 HydrophobicContact SD-SD 3.73Å; T146-M150 HydrophobicContact CG2-CE 3.38Å; T146-M150 VanDerWaalsContact O-CG 3.29Å; T146-M150 WeakPolarHBondContact O-CG 3.43Å; T146-M150 PolarHBondContact O-N 2.95Å; I147-M150 WeakPolarHBondContact O-CB 3.45Å; I147-M150 PolarHBondContact O-N 3.45Å; M150-S152 VanDerWaalsContact C-N 3.25Å; M150-S152 PolarHBondContact O-N 2.66Å; M150-K153 PolarHBondContact O-N 3.08Å; M150-K153 VanDerWaalsContact O-N 3.08Å; M150-L154 PolarHBondContact O-N 3.23Å
151	V	71.4	Confident	65.3	Low	89 Å²	89	82.7 Å²	82.7	54%	0.539	45%	0.449	S	S	.	.	H	α-helix	trans	-60.1	-38.4	179.4	172	0	0	0	0	110.8	I147 E148 T149 K153 L154	I147-V151 HydrophobicContact CG2-CG2 4.41Å; I147-V151 VanDerWaalsContact O-CG2 3.3Å; I147-V151 WeakPolarHBondContact O-CG2 3.3Å; I147-V151 PolarHBondContact O-N 3.27Å; E148-V151 PolarHBondContact O-N 3.31Å; T149-V151 PolarHBondContact O-N 3.21Å; V151-K153 PolarHBondContact O-N 2.74Å; V151-L154 PolarHBondContact O-N 2.84Å
152	S	73.4	Confident	65.7	Low	73 Å²	73	86.6 Å²	86.6	51%	0.51	47%	0.471	S	S	.	.	H	α-helix	trans	-65.9	-21.6	178.1	79.7	0	0	0	0	114.4	E148 T149 M150	E148-S152 WeakPolarHBondContact O-CB 3.25Å; E148-S152 PolarHBondContact O-N 2.93Å; T149-S152 PolarHBondContact O-N 2.91Å; T149-S152 PolarHBondContact O-OG 3.46Å; M150-S152 VanDerWaalsContact C-N 3.25Å; M150-S152 PolarHBondContact O-N 2.66Å
153	K	70.2	Confident	66.2	Low	21 Å²	21	84.8 Å²	84.8	9%	0.091	46%	0.462	C	S	.	.	H	α-helix	trans	-87.9	-16.7	177.7	-61.6	-58.1	179.5	174	0	113.4	L104 L105 F107 I110 L121 T149 M150 V151	L104-K153 VanDerWaalsContact O-CE 3.23Å; L104-K153 WeakPolarHBondContact O-CE 3.3Å; L105-K153 WeakPolarHBondContact O-CE 3.35Å; L105-K153 PolarHBondContact O-NZ 3.04Å; F107-K153 WeakPolarHBondContact O-CE 3.34Å; F107-K153 PolarHBondContact O-NZ 3.01Å; I110-K153 PolarHBondContact N-O 3.41Å; L121-K153 HydrophobicContact CD2-CB 4.01Å; T149-K153 WeakPolarHBondContact O-CG 3.36Å; T149-K153 PolarHBondContact O-N 3.4Å; M150-K153 PolarHBondContact O-N 3.08Å; M150-K153 VanDerWaalsContact O-N 3.08Å; V151-K153 PolarHBondContact O-N 2.74Å
154	L	69.2	Low	66.3	Low	81 Å²	81	87.2 Å²	87.2	42%	0.424	47%	0.47	S	S	.	.	S	Bend	trans	-72	148	176.6	-65.1	176.6	0	0	0	110.6	L118 L121 M150 V151 T156	L118-L154 HydrophobicContact CD2-CD2 3.85Å; L121-L154 HydrophobicContact CD2-CD2 4.09Å; M150-L154 PolarHBondContact O-N 3.23Å; V151-L154 PolarHBondContact O-N 2.84Å; L154-T156 PolarHBondContact O-N 2.82Å; L154-T156 VanDerWaalsContact O-N 3.08Å
155	P	65.3	Low	66.3	Low	49 Å²	49	86.8 Å²	86.8	32%	0.318	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-59.5	116.2	172.2	-17.2	28.3	0	0	0	110	I110	I110-P155 HydrophobicContact CB-CG 4.34Å; I110-P155 HydrophobicContact CG2-CG 4.09Å
156	T	62.5	Low	66.1	Low	115 Å²	115	81.1 Å²	81.1	71%	0.706	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-73.1	144.7	165.1	41.3	0	0	0	0	108.8	L154	L154-T156 PolarHBondContact O-N 2.82Å; L154-T156 VanDerWaalsContact O-N 3.08Å
157	H	56.7	Low	66.1	Low	153 Å²	153	87.7 Å²	87.7	71%	0.708	49%	0.488	S	S	*	.			trans	98.7	95.3	-174.8	-60.3	-81.4	0	0	0	116.4	R112	R112-H157 PolarHBondContact NH2-O 3.29Å
158	V	43.3	Very low	65.8	Low	201 Å²	201	88.2 Å²	88.2	100%	1.218	49%	0.494	S	S	*	.			trans	-46.4	0	137.9	-163.8	0	0	0	0	110.1

Retrieved 158 of 158 residues in 34.4 ms (Link to these results)

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