A0A060W9Q8_ONCMY Loading...

Charged multivesicular body protein 4b

AlphaFold DB , UniProt , Accession A0A060W9Q8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110527643, Length 223 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	44.1	Very low	50.5	Low	243 Å²	243	148.4 Å²	148.4	100%	1.197	89%	0.888	S	S	*	*				0	123.4	0	-76.9	-177.7	165.6	0	0	108
2	S	42	Very low	49.7	Very low	106 Å²	106	142 Å²	142	74%	0.741	88%	0.875	S	S	*	*			trans	-69.6	128.6	-166.5	-177.7	0	0	0	0	112.8
3	L	55	Low	49.2	Very low	179 Å²	179	146.8 Å²	146.8	94%	0.937	88%	0.877	S	S	*	*			trans	-111.3	21.3	171.8	-75.1	170.8	0	0	0	112.3
4	L	58.6	Low	48.8	Very low	172 Å²	172	142.3 Å²	142.3	90%	0.901	88%	0.875	S	S	*	*	S	Bend	trans	-110.2	21.8	-176.7	-83.6	161.8	0	0	0	114.1
5	G	49.8	Very low	48.6	Very low	70 Å²	70	137.1 Å²	137.1	72%	0.722	86%	0.861	S	S	*	*	S	Bend	trans	-118.2	10.2	-168.7	0	0	0	0	0	117.6
6	K	53.8	Low	49	Very low	205 Å²	205	140.6 Å²	140.6	89%	0.891	86%	0.86	S	S	*	*			trans	-133.1	20	-166.6	-121.8	168.8	-179.1	177.2	0	117.7
7	L	52.7	Low	49.7	Very low	176 Å²	176	138.8 Å²	138.8	92%	0.921	85%	0.854	S	S	*	*	S	Bend	trans	-106.3	16.1	170.1	-90.4	166.4	0	0	0	114.1
8	F	57.8	Low	50.7	Low	216 Å²	216	134.7 Å²	134.7	95%	0.947	84%	0.837	S	S	*	*			trans	-123.7	62.6	168	-125.1	-95.5	0	0	0	109.3
9	G	40.6	Very low	52.5	Low	71 Å²	71	129.4 Å²	129.4	73%	0.732	81%	0.805	S	S	*	*			trans	-86.1	110.8	171.9	0	0	0	0	0	109.5	G11	G9-G11 PolarHBondContact O-N 3.4Å
10	A	52.9	Low	54.1	Low	111 Å²	111	125.8 Å²	125.8	92%	0.917	78%	0.783	S	S	*	*			trans	-45.3	125.6	165.2	0	0	0	0	0	111.2
11	G	47.8	Very low	55.6	Low	83 Å²	83	124.5 Å²	124.5	86%	0.856	77%	0.768	S	S	*	*			trans	169.3	40.5	-177.8	0	0	0	0	0	114.5	G9	G9-G11 PolarHBondContact O-N 3.4Å
12	G	41.7	Very low	57.8	Low	72 Å²	72	117.8 Å²	117.8	74%	0.742	73%	0.734	S	S	*	*			trans	-131.8	104.3	171	0	0	0	0	0	108.9
13	K	43	Very low	60	Low	205 Å²	205	114.1 Å²	114.1	89%	0.891	71%	0.71	S	S	*	*			trans	-16.8	133.5	160.8	-93.7	164.2	165.2	167.5	0	112.2	G15	K13-G15 PolarHBondContact O-N 3.42Å
14	G	43.9	Very low	61.7	Low	83 Å²	83	106.4 Å²	106.4	86%	0.856	67%	0.669	S	S	*	*			trans	-48.2	96	162.4	0	0	0	0	0	109.3	K16	G14-K16 PolarHBondContact O-N 3.01Å
15	G	46	Very low	63.4	Low	64 Å²	64	102.9 Å²	102.9	66%	0.66	65%	0.648	S	S	*	*			trans	-60.5	124.2	162.6	0	0	0	0	0	103.5	K13 S17	K13-G15 PolarHBondContact O-N 3.42Å; G15-S17 PolarHBondContact O-N 3.31Å
16	K	54	Low	65.5	Low	194 Å²	194	107.8 Å²	107.8	84%	0.843	65%	0.645	S	S	*	*			trans	-42.2	118.4	161.7	-73.8	175.4	175.3	178	0	105.2	G14 A18	G14-K16 PolarHBondContact O-N 3.01Å; K16-A18 PolarHBondContact O-N 3.47Å
17	S	60.5	Low	67.3	Low	110 Å²	110	99.4 Å²	99.4	77%	0.769	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-47.3	121.8	169.7	47.3	0	0	0	0	105.5	G15 S19	G15-S17 PolarHBondContact O-N 3.31Å; S17-S19 PolarHBondContact O-N 3.39Å; S17-S19 VanDerWaalsContact O-N 3.11Å
18	A	69.2	Low	69.4	Low	65 Å²	65	96.5 Å²	96.5	54%	0.537	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-48.4	126.1	-177.8	0	0	0	0	0	107.4	K16	K16-A18 PolarHBondContact O-N 3.47Å
19	S	84	Confident	71.2	Confident	34 Å²	34	90 Å²	90	24%	0.238	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-63.6	151.1	-179.4	69.1	0	0	0	0	108.6	S17 Q21 E22 A23	S17-S19 PolarHBondContact O-N 3.39Å; S17-S19 VanDerWaalsContact O-N 3.11Å; S19-Q21 PolarHBondContact O-N 3.15Å; S19-Q21 VanDerWaalsContact O-N 3.12Å; S19-Q21 PolarHBondContact OG-OE1 3.49Å; S19-E22 PolarHBondContact N-OE2 3.18Å; S19-E22 PolarHBondContact O-N 3.04Å; S19-E22 WeakPolarHBondContact OG-CB 3.5Å; S19-E22 VanDerWaalsContact OG-CG 3.29Å; S19-E22 WeakPolarHBondContact OG-CG 3.45Å; S19-E22 PolarHBondContact OG-N 3.16Å; S19-A23 PolarHBondContact O-N 3.33Å
20	P	83.9	Confident	73.7	Confident	56 Å²	56	89.2 Å²	89.2	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-49.5	-38	172.7	-28.6	35.9	0	0	0	112	A23 I24	P20-A23 PolarHBondContact O-N 3.17Å; P20-I24 WeakPolarHBondContact O-CB 3.44Å; P20-I24 WeakPolarHBondContact O-CD1 3.48Å; P20-I24 WeakPolarHBondContact O-CG1 3.47Å; P20-I24 PolarHBondContact O-N 3.41Å
21	Q	86.4	Confident	75.7	Confident	100 Å²	100	84.7 Å²	84.7	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-42.7	177.1	-61.1	77.5	12.9	0	0	112.9	S19 A23 I24 Q25 N98	S19-Q21 PolarHBondContact O-N 3.15Å; S19-Q21 VanDerWaalsContact O-N 3.12Å; S19-Q21 PolarHBondContact OG-OE1 3.49Å; Q21-A23 VanDerWaalsContact C-N 3.33Å; Q21-I24 PolarHBondContact O-N 3.31Å; Q21-Q25 WeakPolarHBondContact O-CB 3.27Å; Q21-Q25 PolarHBondContact O-N 3.36Å; Q21-N98 PolarHBondContact NE2-OD1 2.64Å
22	E	89.6	Confident	78	Confident	102 Å²	102	85.8 Å²	85.8	48%	0.477	49%	0.485	S	S	.	.	H	α-helix	trans	-65.8	-37.3	175.5	-76.3	172.2	-177	0	0	111.8	S19 R26	S19-E22 PolarHBondContact N-OE2 3.18Å; S19-E22 PolarHBondContact O-N 3.04Å; S19-E22 WeakPolarHBondContact OG-CB 3.5Å; S19-E22 VanDerWaalsContact OG-CG 3.29Å; S19-E22 WeakPolarHBondContact OG-CG 3.45Å; S19-E22 PolarHBondContact OG-N 3.16Å; E22-R26 WeakPolarHBondContact O-CG 3.21Å; E22-R26 PolarHBondContact O-N 3.31Å; E22-R26 VanDerWaalsContact O-N 3.16Å
23	A	89.1	Confident	80.5	Confident	29 Å²	29	87 Å²	87	24%	0.24	47%	0.473	C	S	.	.	H	α-helix	trans	-66.2	-47.8	175.6	0	0	0	0	0	111.5	S19 P20 Q21 Q25 R26 L27 L94	S19-A23 PolarHBondContact O-N 3.33Å; P20-A23 PolarHBondContact O-N 3.17Å; Q21-A23 VanDerWaalsContact C-N 3.33Å; A23-Q25 VanDerWaalsContact C-N 3.32Å; A23-Q25 PolarHBondContact O-N 3.29Å; A23-R26 PolarHBondContact O-N 3.32Å; A23-L27 WeakPolarHBondContact O-CG 3.48Å; A23-L27 PolarHBondContact O-N 3.45Å; A23-L94 HydrophobicContact CB-CD1 4.05Å
24	I	90.7	Very high	82.9	Confident	17 Å²	17	78 Å²	78	9%	0.087	43%	0.434	C	S	.	.	H	α-helix	trans	-57.2	-45.9	176.3	-70.1	160.6	0	0	0	110.6	P20 Q21 R26 L27 R28 R91 L94 E95	P20-I24 WeakPolarHBondContact O-CB 3.44Å; P20-I24 WeakPolarHBondContact O-CD1 3.48Å; P20-I24 WeakPolarHBondContact O-CG1 3.47Å; P20-I24 PolarHBondContact O-N 3.41Å; Q21-I24 PolarHBondContact O-N 3.31Å; I24-R26 VanDerWaalsContact C-N 3.35Å; I24-R26 PolarHBondContact O-N 3.27Å; I24-L27 PolarHBondContact O-N 3.39Å; I24-R28 WeakPolarHBondContact O-CG 3.48Å; I24-R28 PolarHBondContact O-N 3.11Å; I24-R91 HydrophobicContact CG2-CG 4.25Å; I24-L94 HydrophobicContact CD1-CB 4.33Å; I24-L94 HydrophobicContact CG1-CB 3.92Å; I24-E95 HydrophobicContact CD1-CG 3.72Å; I24-E95 HydrophobicContact CG1-CG 4.1Å; I24-E95 HydrophobicContact CG2-CG 4.22Å
25	Q	93.7	Very high	85.4	Confident	97 Å²	97	76.7 Å²	76.7	45%	0.453	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-42.6	179.5	-172.9	59.2	50.3	0	0	112	Q21 A23 L27 R28 D29	Q21-Q25 WeakPolarHBondContact O-CB 3.27Å; Q21-Q25 PolarHBondContact O-N 3.36Å; A23-Q25 VanDerWaalsContact C-N 3.32Å; A23-Q25 PolarHBondContact O-N 3.29Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 3.01Å; Q25-R28 PolarHBondContact O-N 3.32Å; Q25-D29 PolarHBondContact NE2-OD1 3.33Å; Q25-D29 PolarHBondContact O-N 3.49Å
26	R	93.2	Very high	87.9	Confident	174 Å²	174	79.4 Å²	79.4	66%	0.657	40%	0.404	S	S	*	.	H	α-helix	trans	-64.8	-35.8	177.5	-74.1	179.6	178.9	-153.9	2	113	E22 A23 I24 T30	E22-R26 WeakPolarHBondContact O-CG 3.21Å; E22-R26 PolarHBondContact O-N 3.31Å; E22-R26 VanDerWaalsContact O-N 3.16Å; A23-R26 PolarHBondContact O-N 3.32Å; I24-R26 VanDerWaalsContact C-N 3.35Å; I24-R26 PolarHBondContact O-N 3.27Å; R26-T30 WeakPolarHBondContact O-CB 3.46Å; R26-T30 PolarHBondContact O-N 3.48Å; R26-T30 PolarHBondContact O-OG1 3.47Å
27	L	93.5	Very high	89.8	Confident	28 Å²	28	75 Å²	75	15%	0.147	38%	0.384	C	S	.	.	H	α-helix	trans	-63.7	-47	174.5	-66.9	168.9	0	0	0	109.8	A23 I24 Q25 D29 T30 E31 I87 Q90 R91 L94	A23-L27 WeakPolarHBondContact O-CG 3.48Å; A23-L27 PolarHBondContact O-N 3.45Å; I24-L27 PolarHBondContact O-N 3.39Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 3.01Å; L27-D29 PolarHBondContact O-N 3.2Å; L27-T30 CarbonylContact O-C 3.52Å; L27-T30 WeakPolarHBondContact O-CA 3.43Å; L27-T30 WeakPolarHBondContact O-CB 3.29Å; L27-T30 PolarHBondContact O-N 2.89Å; L27-E31 WeakPolarHBondContact O-CG 3.49Å; L27-E31 PolarHBondContact O-N 3.18Å; L27-I87 HydrophobicContact CB-CG2 4Å; L27-I87 HydrophobicContact CD2-CG2 3.85Å; L27-I87 HydrophobicContact CG-CG2 4.49Å; L27-Q90 HydrophobicContact CD1-CB 4.36Å; L27-R91 HydrophobicContact CB-CB 4.25Å; L27-R91 HydrophobicContact CB-CG 4.45Å; L27-R91 HydrophobicContact CD1-CB 4.08Å; L27-L94 HydrophobicContact CD1-CD1 3.65Å
28	R	94.9	Very high	91.5	Very high	115 Å²	115	71.8 Å²	71.8	43%	0.434	36%	0.357	S	S	.	.	H	α-helix	trans	-57.8	-45.9	175	-68.6	178.7	-179.9	-158	-1.7	113.5	I24 Q25 T30 E31 E32 E95	I24-R28 WeakPolarHBondContact O-CG 3.48Å; I24-R28 PolarHBondContact O-N 3.11Å; Q25-R28 PolarHBondContact O-N 3.32Å; R28-T30 PolarHBondContact O-N 3.41Å; R28-E31 WeakPolarHBondContact CA-OE2 3.37Å; R28-E31 PolarHBondContact O-N 3.2Å; R28-E32 PolarHBondContact O-N 3.47Å; R28-E95 IonicContact CZ-OE1 3.61Å; R28-E95 IonicContact NE-OE1 3.64Å; R28-E95 IonicContact NH2-OE1 2.75Å; R28-E95 PolarHBondContact NH2-OE1 3.13Å
29	D	96.2	Very high	92.8	Very high	81 Å²	81	72 Å²	72	43%	0.433	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-34.8	177	-63.1	-12.9	0	0	0	111.4	Q25 L27 M33	Q25-D29 PolarHBondContact NE2-OD1 3.33Å; Q25-D29 PolarHBondContact O-N 3.49Å; L27-D29 PolarHBondContact O-N 3.2Å; D29-M33 WeakPolarHBondContact O-CB 3.49Å; D29-M33 PolarHBondContact O-N 2.97Å
30	T	92.9	Very high	93.5	Very high	53 Å²	53	75.9 Å²	75.9	33%	0.325	36%	0.362	S	S	.	.	H	α-helix	trans	-73.1	-42.1	178.1	-55.8	0	0	0	0	111.5	R26 L27 R28 M33 L34 I87	R26-T30 WeakPolarHBondContact O-CB 3.46Å; R26-T30 PolarHBondContact O-N 3.48Å; R26-T30 PolarHBondContact O-OG1 3.47Å; L27-T30 CarbonylContact O-C 3.52Å; L27-T30 WeakPolarHBondContact O-CA 3.43Å; L27-T30 WeakPolarHBondContact O-CB 3.29Å; L27-T30 PolarHBondContact O-N 2.89Å; R28-T30 PolarHBondContact O-N 3.41Å; T30-M33 HydrophobicContact CG2-CE 4Å; T30-M33 PolarHBondContact O-N 3.31Å; T30-L34 HydrophobicContact CG2-CD1 4.17Å; T30-L34 HydrophobicContact CG2-CG 4.44Å; T30-L34 WeakPolarHBondContact O-CB 3.44Å; T30-L34 WeakPolarHBondContact O-CG 3.48Å; T30-L34 PolarHBondContact O-N 3.23Å; T30-I87 HydrophobicContact CG2-CD1 3.72Å
31	E	94.6	Very high	94.1	Very high	16 Å²	16	73.5 Å²	73.5	8%	0.075	35%	0.346	C	S	.	.	H	α-helix	trans	-56.2	-52.3	172.8	-69.9	162.6	173.7	0	0	110.3	L27 R28 M33 L34 T35 I87 R91	L27-E31 WeakPolarHBondContact O-CG 3.49Å; L27-E31 PolarHBondContact O-N 3.18Å; R28-E31 WeakPolarHBondContact CA-OE2 3.37Å; R28-E31 PolarHBondContact O-N 3.2Å; E31-M33 VanDerWaalsContact C-N 3.25Å; E31-M33 PolarHBondContact O-N 2.74Å; E31-L34 CarbonylContact O-C 3.59Å; E31-L34 PolarHBondContact O-N 3.41Å; E31-T35 PolarHBondContact O-N 3.46Å; E31-T35 PolarHBondContact O-OG1 3.09Å; E31-T35 VanDerWaalsContact O-OG1 3.04Å; E31-I87 HydrophobicContact CG-CB 4.35Å; E31-I87 HydrophobicContact CG-CG2 3.49Å; E31-I87 VanDerWaalsContact CG-CG2 3.49Å; E31-R91 WeakPolarHBondContact OE1-CD 3.37Å; E31-R91 IonicContact OE1-CZ 3.69Å; E31-R91 IonicContact OE1-NE 2.63Å; E31-R91 IonicContact OE1-NH1 3.71Å; E31-R91 PolarHBondContact OE1-NH1 2.96Å; E31-R91 IonicContact OE2-CZ 2.99Å; E31-R91 IonicContact OE2-NH1 3.5Å; E31-R91 PolarHBondContact OE2-NH1 3.01Å
32	E	96.5	Very high	94.6	Very high	106 Å²	106	72.2 Å²	72.2	50%	0.495	34%	0.34	S	S	.	.	H	α-helix	trans	-57.6	-40.1	-179.9	-169	-168.9	168.6	0	0	111.9	R28 K36	R28-E32 PolarHBondContact O-N 3.47Å; E32-K36 WeakPolarHBondContact O-CG 3.37Å; E32-K36 PolarHBondContact O-N 3.19Å; E32-K36 VanDerWaalsContact OE1-CE 3.28Å; E32-K36 WeakPolarHBondContact OE1-CE 3.38Å; E32-K36 IonicContact OE1-NZ 2.62Å; E32-K36 PolarHBondContact OE1-NZ 2.97Å
33	M	95.3	Very high	95	Very high	98 Å²	98	73.5 Å²	73.5	48%	0.483	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-41.1	176.2	177.5	-85.5	-59	0	0	112.2	D29 T30 E31 K37	D29-M33 WeakPolarHBondContact O-CB 3.49Å; D29-M33 PolarHBondContact O-N 2.97Å; T30-M33 HydrophobicContact CG2-CE 4Å; T30-M33 PolarHBondContact O-N 3.31Å; E31-M33 VanDerWaalsContact C-N 3.25Å; E31-M33 PolarHBondContact O-N 2.74Å; M33-K37 WeakPolarHBondContact O-CB 3.4Å; M33-K37 PolarHBondContact O-N 3.35Å; M33-K37 VanDerWaalsContact O-N 3.13Å
34	L	93.5	Very high	95.4	Very high	15 Å²	15	75 Å²	75	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-69.1	-42.2	177.8	-72.8	176.1	0	0	0	111.8	T30 E31 K36 K37 Q38 I80 T83 L84 I87	T30-L34 HydrophobicContact CG2-CD1 4.17Å; T30-L34 HydrophobicContact CG2-CG 4.44Å; T30-L34 WeakPolarHBondContact O-CB 3.44Å; T30-L34 WeakPolarHBondContact O-CG 3.48Å; T30-L34 PolarHBondContact O-N 3.23Å; E31-L34 CarbonylContact O-C 3.59Å; E31-L34 PolarHBondContact O-N 3.41Å; L34-K36 PolarHBondContact O-N 2.8Å; L34-K37 CarbonylContact O-C 3.53Å; L34-K37 WeakPolarHBondContact O-CA 3.14Å; L34-K37 WeakPolarHBondContact O-CB 3.33Å; L34-K37 PolarHBondContact O-N 3.39Å; L34-Q38 PolarHBondContact O-N 3.02Å; L34-I80 HydrophobicContact CB-CG2 4.14Å; L34-I80 HydrophobicContact CD2-CG1 4.46Å; L34-I80 HydrophobicContact CD2-CG2 4.27Å; L34-T83 HydrophobicContact CD1-CG2 3.97Å; L34-L84 HydrophobicContact CB-CD1 3.79Å; L34-I87 HydrophobicContact CD1-CD1 3.55Å
35	T	95.9	Very high	95.7	Very high	56 Å²	56	75 Å²	75	34%	0.344	35%	0.345	S	S	.	.	H	α-helix	trans	-59.1	-47	174	-52.6	0	0	0	0	111.2	E31 K37 Q38 D39	E31-T35 PolarHBondContact O-N 3.46Å; E31-T35 PolarHBondContact O-OG1 3.09Å; E31-T35 VanDerWaalsContact O-OG1 3.04Å; T35-K37 PolarHBondContact O-N 3.04Å; T35-Q38 WeakPolarHBondContact O-CA 3.4Å; T35-Q38 VanDerWaalsContact O-CB 3.25Å; T35-Q38 WeakPolarHBondContact O-CB 3.34Å; T35-Q38 PolarHBondContact O-N 3.3Å; T35-D39 PolarHBondContact O-N 3.04Å
36	K	97.4	Very high	95.9	Very high	122 Å²	122	74.7 Å²	74.7	53%	0.53	35%	0.347	S	S	.	.	H	α-helix	trans	-59.3	-33.7	174.8	-74.5	172.2	-174.6	166.5	0	112.8	E32 L34 F40	E32-K36 WeakPolarHBondContact O-CG 3.37Å; E32-K36 PolarHBondContact O-N 3.19Å; E32-K36 VanDerWaalsContact OE1-CE 3.28Å; E32-K36 WeakPolarHBondContact OE1-CE 3.38Å; E32-K36 IonicContact OE1-NZ 2.62Å; E32-K36 PolarHBondContact OE1-NZ 2.97Å; L34-K36 PolarHBondContact O-N 2.8Å; K36-F40 WeakPolarHBondContact O-CB 3.46Å; K36-F40 PolarHBondContact O-N 3.05Å
37	K	94.5	Very high	96.1	Very high	101 Å²	101	71.1 Å²	71.1	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-74.5	-35.4	177.3	-170.2	178.8	174.8	-167.3	0	111.6	M33 L34 T35 F40 L41 I80	M33-K37 WeakPolarHBondContact O-CB 3.4Å; M33-K37 PolarHBondContact O-N 3.35Å; M33-K37 VanDerWaalsContact O-N 3.13Å; L34-K37 CarbonylContact O-C 3.53Å; L34-K37 WeakPolarHBondContact O-CA 3.14Å; L34-K37 WeakPolarHBondContact O-CB 3.33Å; L34-K37 PolarHBondContact O-N 3.39Å; T35-K37 PolarHBondContact O-N 3.04Å; K37-F40 PolarHBondContact O-N 3.28Å; K37-L41 WeakPolarHBondContact O-CG 3.46Å; K37-L41 PolarHBondContact O-N 3.4Å; K37-I80 HydrophobicContact CB-CD1 4.2Å; K37-I80 HydrophobicContact CD-CD1 3.59Å; K37-I80 HydrophobicContact CG-CD1 3.69Å
38	Q	96.1	Very high	96.2	Very high	43 Å²	43	70.8 Å²	70.8	20%	0.201	34%	0.335	C	S	.	.	H	α-helix	trans	-57.6	-56.8	171.8	-168.2	-174	-16.6	0	0	110	L34 T35 F40 L41 E42 L77 I80	L34-Q38 PolarHBondContact O-N 3.02Å; T35-Q38 WeakPolarHBondContact O-CA 3.4Å; T35-Q38 VanDerWaalsContact O-CB 3.25Å; T35-Q38 WeakPolarHBondContact O-CB 3.34Å; T35-Q38 PolarHBondContact O-N 3.3Å; Q38-F40 PolarHBondContact O-N 3.13Å; Q38-F40 VanDerWaalsContact O-N 3.13Å; Q38-L41 WeakPolarHBondContact O-CA 3.41Å; Q38-L41 PolarHBondContact O-N 3.01Å; Q38-E42 PolarHBondContact NE2-OE1 3.36Å; Q38-E42 WeakPolarHBondContact O-CG 3.41Å; Q38-E42 PolarHBondContact O-N 2.97Å; Q38-L77 HydrophobicContact CB-CD1 4.18Å; Q38-L77 HydrophobicContact CG-CD1 3.4Å; Q38-L77 VanDerWaalsContact CG-CD1 3.4Å; Q38-L77 HydrophobicContact CG-CG 4.48Å; Q38-I80 HydrophobicContact CB-CG2 4.43Å
39	D	97.4	Very high	96.2	Very high	69 Å²	69	67.9 Å²	67.9	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-53	-40.7	177	-66.8	-7.8	0	0	0	112.6	T35 K43	T35-D39 PolarHBondContact O-N 3.04Å; D39-K43 WeakPolarHBondContact O-CD 3.47Å; D39-K43 VanDerWaalsContact O-CG 3.3Å; D39-K43 WeakPolarHBondContact O-CG 3.44Å; D39-K43 PolarHBondContact O-N 2.59Å; D39-K43 VanDerWaalsContact O-N 3.14Å
40	F	97.6	Very high	96.2	Very high	116 Å²	116	69.3 Å²	69.3	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-66.3	-42.8	178.5	174.6	-98.1	0	0	0	111.7	K36 K37 Q38 K44	K36-F40 WeakPolarHBondContact O-CB 3.46Å; K36-F40 PolarHBondContact O-N 3.05Å; K37-F40 PolarHBondContact O-N 3.28Å; Q38-F40 PolarHBondContact O-N 3.13Å; Q38-F40 VanDerWaalsContact O-N 3.13Å; F40-K44 HydrophobicContact CD1-CG 4.38Å; F40-K44 HydrophobicContact CE1-CG 3.96Å; F40-K44 HydrophobicContact CE2-CG 4.5Å; F40-K44 HydrophobicContact CZ-CD 4.33Å; F40-K44 HydrophobicContact CZ-CG 4.04Å; F40-K44 WeakPolarHBondContact O-CG 3.31Å; F40-K44 PolarHBondContact O-N 3.1Å; F40-K44 VanDerWaalsContact O-N 3.09Å
41	L	96.8	Very high	96.2	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-68.5	-39.8	178.7	-74.1	177.6	0	0	0	111.8	K37 Q38 K44 I45 Y73 Q76 L77 I80	K37-L41 WeakPolarHBondContact O-CG 3.46Å; K37-L41 PolarHBondContact O-N 3.4Å; Q38-L41 WeakPolarHBondContact O-CA 3.41Å; Q38-L41 PolarHBondContact O-N 3.01Å; L41-K44 CarbonylContact O-C 3.52Å; L41-K44 WeakPolarHBondContact O-CA 3.43Å; L41-K44 WeakPolarHBondContact O-CB 3.33Å; L41-K44 PolarHBondContact O-N 3.19Å; L41-K44 VanDerWaalsContact O-N 3.07Å; L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.26Å; L41-Y73 HydrophobicContact CD2-CD1 3.82Å; L41-Y73 HydrophobicContact CD2-CG 4.35Å; L41-Q76 HydrophobicContact CD1-CB 3.8Å; L41-L77 HydrophobicContact CB-CD1 4.03Å; L41-L77 HydrophobicContact CD1-CD1 4.49Å; L41-I80 HydrophobicContact CD1-CD1 3.55Å
42	E	97.4	Very high	96	Very high	74 Å²	74	68.9 Å²	68.9	35%	0.346	33%	0.334	S	S	.	.	H	α-helix	trans	-58	-49.8	174.2	-71.5	173.2	-179.9	0	0	111.1	Q38 K44 I45 D46 L77	Q38-E42 PolarHBondContact NE2-OE1 3.36Å; Q38-E42 WeakPolarHBondContact O-CG 3.41Å; Q38-E42 PolarHBondContact O-N 2.97Å; E42-K44 PolarHBondContact O-N 2.92Å; E42-I45 WeakPolarHBondContact O-CB 3.37Å; E42-I45 PolarHBondContact O-N 3.37Å; E42-D46 PolarHBondContact O-N 3.45Å; E42-L77 HydrophobicContact CG-CD1 3.99Å; E42-L77 HydrophobicContact CG-CD2 3.98Å
43	K	98.3	Very high	95.8	Very high	129 Å²	129	71.1 Å²	71.1	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-57.3	-35.9	173.8	-72.1	167.6	-174.5	161.9	0	112.5	D39 Q47	D39-K43 WeakPolarHBondContact O-CD 3.47Å; D39-K43 VanDerWaalsContact O-CG 3.3Å; D39-K43 WeakPolarHBondContact O-CG 3.44Å; D39-K43 PolarHBondContact O-N 2.59Å; D39-K43 VanDerWaalsContact O-N 3.14Å; K43-Q47 WeakPolarHBondContact O-CB 3.37Å; K43-Q47 WeakPolarHBondContact O-CG 3.41Å; K43-Q47 PolarHBondContact O-N 3.37Å; K43-Q47 VanDerWaalsContact O-N 3.1Å
44	K	97.5	Very high	95.7	Very high	61 Å²	61	73.8 Å²	73.8	27%	0.265	35%	0.351	S	S	.	.	H	α-helix	trans	-70.3	-40.2	175.4	-72.7	-68	177.6	-166	0	112.3	F40 L41 E42 D46 Q47 E48 Y73	F40-K44 HydrophobicContact CD1-CG 4.38Å; F40-K44 HydrophobicContact CE1-CG 3.96Å; F40-K44 HydrophobicContact CE2-CG 4.5Å; F40-K44 HydrophobicContact CZ-CD 4.33Å; F40-K44 HydrophobicContact CZ-CG 4.04Å; F40-K44 WeakPolarHBondContact O-CG 3.31Å; F40-K44 PolarHBondContact O-N 3.1Å; F40-K44 VanDerWaalsContact O-N 3.09Å; L41-K44 CarbonylContact O-C 3.52Å; L41-K44 WeakPolarHBondContact O-CA 3.43Å; L41-K44 WeakPolarHBondContact O-CB 3.33Å; L41-K44 PolarHBondContact O-N 3.19Å; L41-K44 VanDerWaalsContact O-N 3.07Å; E42-K44 PolarHBondContact O-N 2.92Å; K44-D46 VanDerWaalsContact C-N 3.31Å; K44-D46 PolarHBondContact O-N 3.03Å; K44-Q47 PolarHBondContact O-N 3.33Å; K44-E48 WeakPolarHBondContact O-CG 3.37Å; K44-E48 PolarHBondContact O-N 3.45Å; K44-Y73 HydrophobicContact CB-CD2 3.77Å; K44-Y73 HydrophobicContact CB-CE2 3.79Å; K44-Y73 HydrophobicContact CB-CG 4.25Å
45	I	97.3	Very high	95.5	Very high	16 Å²	16	75 Å²	75	8%	0.082	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-45.9	175.9	-72.2	165	0	0	0	109.7	L41 E42 E48 L49 K70 E74 L77	L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.26Å; E42-I45 WeakPolarHBondContact O-CB 3.37Å; E42-I45 PolarHBondContact O-N 3.37Å; I45-E48 PolarHBondContact O-N 3.13Å; I45-L49 WeakPolarHBondContact O-CB 3.38Å; I45-L49 PolarHBondContact O-N 2.9Å; I45-K70 HydrophobicContact CG2-CD 4.34Å; I45-K70 HydrophobicContact CG2-CG 3.92Å; I45-E74 HydrophobicContact CD1-CG 3.94Å; I45-E74 HydrophobicContact CG1-CG 4.28Å; I45-E74 HydrophobicContact CG2-CG 4.45Å; I45-L77 HydrophobicContact CD1-CB 4.45Å; I45-L77 HydrophobicContact CD1-CD2 3.92Å
46	D	97.6	Very high	94.9	Very high	90 Å²	90	74.3 Å²	74.3	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-64.5	-44.8	178.2	-71.6	-20.6	0	0	0	112.7	E42 K44 E48 L49 I50	E42-D46 PolarHBondContact O-N 3.45Å; K44-D46 VanDerWaalsContact C-N 3.31Å; K44-D46 PolarHBondContact O-N 3.03Å; D46-E48 VanDerWaalsContact C-N 3.3Å; D46-E48 PolarHBondContact O-N 3.25Å; D46-L49 WeakPolarHBondContact O-CB 3.48Å; D46-L49 PolarHBondContact O-N 3.45Å; D46-L49 VanDerWaalsContact O-N 3.16Å; D46-I50 WeakPolarHBondContact O-CG1 3.27Å; D46-I50 PolarHBondContact O-N 3.1Å
47	Q	97.4	Very high	94.3	Very high	99 Å²	99	74.9 Å²	74.9	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-58	-42.9	175.9	-76	170.4	12.3	0	0	112	K43 K44 T51	K43-Q47 WeakPolarHBondContact O-CB 3.37Å; K43-Q47 WeakPolarHBondContact O-CG 3.41Å; K43-Q47 PolarHBondContact O-N 3.37Å; K43-Q47 VanDerWaalsContact O-N 3.1Å; K44-Q47 PolarHBondContact O-N 3.33Å; Q47-T51 WeakPolarHBondContact O-CB 3.23Å; Q47-T51 PolarHBondContact O-N 2.83Å; Q47-T51 PolarHBondContact O-OG1 2.9Å
48	E	94.6	Very high	94.1	Very high	21 Å²	21	78.5 Å²	78.5	10%	0.098	39%	0.391	C	S	.	.	H	α-helix	trans	-70.4	-35.1	177.5	-65.9	-60.3	171.8	0	0	112	K44 I45 D46 T51 A52 A66 R69 K70 Y73	K44-E48 WeakPolarHBondContact O-CG 3.37Å; K44-E48 PolarHBondContact O-N 3.45Å; I45-E48 PolarHBondContact O-N 3.13Å; D46-E48 VanDerWaalsContact C-N 3.3Å; D46-E48 PolarHBondContact O-N 3.25Å; E48-T51 PolarHBondContact O-N 3.07Å; E48-A52 WeakPolarHBondContact O-CB 3.37Å; E48-A52 PolarHBondContact O-N 3.34Å; E48-A66 WeakPolarHBondContact OE2-CA 3.4Å; E48-A66 WeakPolarHBondContact OE2-CB 3.42Å; E48-R69 HydrophobicContact CG-CB 4.02Å; E48-R69 IonicContact OE1-CZ 3.63Å; E48-R69 IonicContact OE1-NE 2.78Å; E48-R69 PolarHBondContact OE1-NE 3.39Å; E48-R69 IonicContact OE1-NH2 3.6Å; E48-R69 IonicContact OE2-CZ 3.32Å; E48-R69 IonicContact OE2-NE 3.1Å; E48-R69 PolarHBondContact OE2-NE 3.23Å; E48-R69 VanDerWaalsContact OE2-NE 3.1Å; E48-R69 IonicContact OE2-NH2 2.73Å; E48-R69 PolarHBondContact OE2-NH2 2.91Å; E48-K70 HydrophobicContact CB-CB 3.96Å; E48-Y73 HydrophobicContact CG-CD2 4.17Å; E48-Y73 HydrophobicContact CG-CE2 3.81Å
49	L	95.1	Very high	93.9	Very high	54 Å²	54	79.8 Å²	79.8	28%	0.283	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-46.6	174	-174.3	72.1	0	0	0	111.2	I45 D46 T51 A52 K53 K70	I45-L49 WeakPolarHBondContact O-CB 3.38Å; I45-L49 PolarHBondContact O-N 2.9Å; D46-L49 WeakPolarHBondContact O-CB 3.48Å; D46-L49 PolarHBondContact O-N 3.45Å; D46-L49 VanDerWaalsContact O-N 3.16Å; L49-T51 VanDerWaalsContact C-N 3.31Å; L49-T51 PolarHBondContact O-N 3.24Å; L49-A52 PolarHBondContact O-N 2.87Å; L49-K53 HydrophobicContact CG-CD 4.43Å; L49-K53 WeakPolarHBondContact O-CG 3.33Å; L49-K53 PolarHBondContact O-N 3.35Å; L49-K70 HydrophobicContact CB-CD 4.2Å; L49-K70 HydrophobicContact CD1-CD 4.12Å
50	I	96.8	Very high	93.3	Very high	111 Å²	111	84 Å²	84	57%	0.569	42%	0.415	S	S	*	.	H	α-helix	trans	-59.4	-44.8	175	-67.4	165.2	0	0	0	110.2	D46 A52 K53 K54	D46-I50 WeakPolarHBondContact O-CG1 3.27Å; D46-I50 PolarHBondContact O-N 3.1Å; I50-A52 VanDerWaalsContact C-N 3.34Å; I50-A52 PolarHBondContact O-N 3.36Å; I50-K53 PolarHBondContact O-N 3.43Å; I50-K54 WeakPolarHBondContact O-CB 3.4Å; I50-K54 PolarHBondContact O-N 3.18Å
51	T	92.3	Very high	93	Very high	51 Å²	51	88 Å²	88	31%	0.313	43%	0.426	S	S	.	.	H	α-helix	trans	-62.6	-41.4	178.2	-60.7	0	0	0	0	111.8	Q47 E48 L49 N55 A66	Q47-T51 WeakPolarHBondContact O-CB 3.23Å; Q47-T51 PolarHBondContact O-N 2.83Å; Q47-T51 PolarHBondContact O-OG1 2.9Å; E48-T51 PolarHBondContact O-N 3.07Å; L49-T51 VanDerWaalsContact C-N 3.31Å; L49-T51 PolarHBondContact O-N 3.24Å; T51-N55 WeakPolarHBondContact O-CB 3.46Å; T51-N55 PolarHBondContact O-N 3Å; T51-N55 VanDerWaalsContact O-N 3.13Å; T51-N55 PolarHBondContact O-ND2 3.23Å; T51-A66 HydrophobicContact CG2-CB 3.96Å
52	A	90.4	Very high	92.4	Very high	9 Å²	9	89.2 Å²	89.2	7%	0.074	44%	0.437	C	S	.	.	H	α-helix	trans	-63.8	-47.2	176.1	0	0	0	0	0	111.4	E48 L49 I50 K54 N55 G56 A66 L67	E48-A52 WeakPolarHBondContact O-CB 3.37Å; E48-A52 PolarHBondContact O-N 3.34Å; L49-A52 PolarHBondContact O-N 2.87Å; I50-A52 VanDerWaalsContact C-N 3.34Å; I50-A52 PolarHBondContact O-N 3.36Å; A52-K54 PolarHBondContact O-N 2.83Å; A52-N55 PolarHBondContact O-N 3.27Å; A52-G56 WeakPolarHBondContact O-CA 3.47Å; A52-G56 PolarHBondContact O-N 3.07Å; A52-A66 HydrophobicContact CB-CB 4.07Å; A52-L67 HydrophobicContact CB-CD2 3.75Å; A52-L67 HydrophobicContact CB-CG 3.84Å
53	K	92.7	Very high	91.7	Very high	153 Å²	153	86.1 Å²	86.1	67%	0.665	42%	0.424	S	S	*	.	H	α-helix	trans	-58.7	-46.3	176.5	-72.6	176.7	178.8	179.8	0	111.6	L49 I50 N55 G56	L49-K53 HydrophobicContact CG-CD 4.43Å; L49-K53 WeakPolarHBondContact O-CG 3.33Å; L49-K53 PolarHBondContact O-N 3.35Å; I50-K53 PolarHBondContact O-N 3.43Å; K53-N55 VanDerWaalsContact C-N 3.33Å; K53-N55 PolarHBondContact O-N 3.1Å; K53-G56 PolarHBondContact O-N 2.73Å
54	K	94.1	Very high	91.2	Very high	155 Å²	155	84.3 Å²	84.3	67%	0.674	42%	0.42	S	S	*	.	H	α-helix	trans	-62	-37.1	179.5	-175.9	177.2	-179	177.2	0	113.3	I50 A52	I50-K54 WeakPolarHBondContact O-CB 3.4Å; I50-K54 PolarHBondContact O-N 3.18Å; A52-K54 PolarHBondContact O-N 2.83Å
55	N	88	Confident	90.7	Very high	39 Å²	39	85.7 Å²	85.7	21%	0.209	43%	0.428	C	S	.	.	H	α-helix	trans	-95.7	-8.1	-176.4	-69.8	-74.4	0	0	0	113.7	T51 A52 K53 T57 K58 N59 A62 A63	T51-N55 WeakPolarHBondContact O-CB 3.46Å; T51-N55 PolarHBondContact O-N 3Å; T51-N55 VanDerWaalsContact O-N 3.13Å; T51-N55 PolarHBondContact O-ND2 3.23Å; A52-N55 PolarHBondContact O-N 3.27Å; K53-N55 VanDerWaalsContact C-N 3.33Å; K53-N55 PolarHBondContact O-N 3.1Å; N55-T57 VanDerWaalsContact C-N 3.29Å; N55-T57 PolarHBondContact O-N 3.1Å; N55-K58 PolarHBondContact O-N 2.78Å; N55-N59 HydrophobicContact CB-CB 4.48Å; N55-N59 CarbonylContact O-C 3.2Å; N55-N59 WeakPolarHBondContact O-CA 3.39Å; N55-N59 PolarHBondContact O-N 3.04Å; N55-A62 HydrophobicContact CB-CB 4.17Å; N55-A63 HydrophobicContact CB-CB 4.08Å
56	G	83.9	Confident	90.3	Very high	43 Å²	43	85 Å²	85	44%	0.443	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-40	-172.1	0	0	0	0	0	114.2	A52 K53	A52-G56 WeakPolarHBondContact O-CA 3.47Å; A52-G56 PolarHBondContact O-N 3.07Å; K53-G56 PolarHBondContact O-N 2.73Å
57	T	85	Confident	89.9	Confident	134 Å²	134	84.3 Å²	84.3	82%	0.822	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-18.8	-180	59.3	0	0	0	0	114.2	N55	N55-T57 VanDerWaalsContact C-N 3.29Å; N55-T57 PolarHBondContact O-N 3.1Å
58	K	89.6	Confident	89.5	Confident	176 Å²	176	85.6 Å²	85.6	77%	0.765	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-36.9	-172.8	-61.1	-178	-178.8	-178.3	0	113.2	N55	N55-K58 PolarHBondContact O-N 2.78Å
59	N	91.3	Very high	89.3	Confident	70 Å²	70	89 Å²	89	37%	0.374	44%	0.436	S	S	.	.			trans	-150.6	85.5	-174.4	-171.4	-22.5	0	0	0	110.6	N55 R61 A62 A63	N55-N59 HydrophobicContact CB-CB 4.48Å; N55-N59 CarbonylContact O-C 3.2Å; N55-N59 WeakPolarHBondContact O-CA 3.39Å; N55-N59 PolarHBondContact O-N 3.04Å; N59-R61 PolarHBondContact O-N 3.01Å; N59-R61 PolarHBondContact OD1-N 2.96Å; N59-A62 HydrophobicContact CB-CB 4.03Å; N59-A62 PolarHBondContact O-N 3.12Å; N59-A62 VanDerWaalsContact O-N 3.09Å; N59-A62 PolarHBondContact OD1-N 3.48Å; N59-A63 PolarHBondContact O-N 3.32Å
60	K	86.8	Confident	89.3	Confident	159 Å²	159	88.2 Å²	88.2	69%	0.691	43%	0.43	S	S	*	.	H	α-helix	trans	-54.6	-36.5	-179.9	-171.2	171.9	-177.7	174.7	0	112.9	A63 L64	K60-A63 PolarHBondContact O-N 3.32Å; K60-L64 HydrophobicContact CG-CD1 4.26Å; K60-L64 WeakPolarHBondContact O-CB 3.42Å; K60-L64 VanDerWaalsContact O-CG 3.29Å; K60-L64 WeakPolarHBondContact O-CG 3.34Å; K60-L64 PolarHBondContact O-N 2.97Å
61	R	89.4	Confident	88.9	Confident	199 Å²	199	89.6 Å²	89.6	75%	0.751	43%	0.432	S	S	*	.	H	α-helix	trans	-65.4	-45	178.5	-170.5	178.5	72.1	141.6	0.8	111.6	N59 L64 Q65	N59-R61 PolarHBondContact O-N 3.01Å; N59-R61 PolarHBondContact OD1-N 2.96Å; R61-L64 PolarHBondContact O-N 3.46Å; R61-Q65 WeakPolarHBondContact O-CG 3.48Å; R61-Q65 PolarHBondContact O-N 2.96Å; R61-Q65 VanDerWaalsContact O-N 3.13Å
62	A	84.9	Confident	88.8	Confident	30 Å²	30	96 Å²	96	25%	0.248	45%	0.45	C	S	.	.	H	α-helix	trans	-65.6	-41.1	177.5	0	0	0	0	0	111.8	N55 N59 Q65 A66	N55-A62 HydrophobicContact CB-CB 4.17Å; N59-A62 HydrophobicContact CB-CB 4.03Å; N59-A62 PolarHBondContact O-N 3.12Å; N59-A62 VanDerWaalsContact O-N 3.09Å; N59-A62 PolarHBondContact OD1-N 3.48Å; A62-Q65 PolarHBondContact O-N 3.05Å; A62-A66 PolarHBondContact O-N 3.03Å
63	A	83.6	Confident	88.9	Confident	9 Å²	9	98.2 Å²	98.2	7%	0.074	46%	0.457	C	S	.	.	H	α-helix	trans	-61.7	-45	175.6	0	0	0	0	0	112.2	N55 N59 K60 Q65 A66 L67	N55-A63 HydrophobicContact CB-CB 4.08Å; N59-A63 PolarHBondContact O-N 3.32Å; K60-A63 PolarHBondContact O-N 3.32Å; A63-Q65 VanDerWaalsContact C-N 3.32Å; A63-Q65 PolarHBondContact O-N 2.95Å; A63-A66 PolarHBondContact O-N 3.47Å; A63-L67 WeakPolarHBondContact O-CG 3.5Å; A63-L67 PolarHBondContact O-N 3.36Å
64	L	87.3	Confident	88.7	Confident	91 Å²	91	93.3 Å²	93.3	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-62.1	-37.4	176.4	-74.3	172.5	0	0	0	112.7	K60 R61 K68	K60-L64 HydrophobicContact CG-CD1 4.26Å; K60-L64 WeakPolarHBondContact O-CB 3.42Å; K60-L64 VanDerWaalsContact O-CG 3.29Å; K60-L64 WeakPolarHBondContact O-CG 3.34Å; K60-L64 PolarHBondContact O-N 2.97Å; R61-L64 PolarHBondContact O-N 3.46Å; L64-K68 WeakPolarHBondContact O-CG 3.41Å; L64-K68 PolarHBondContact O-N 2.89Å
65	Q	87.5	Confident	88.5	Confident	91 Å²	91	93 Å²	93	43%	0.425	44%	0.436	S	S	.	.	H	α-helix	trans	-67.6	-39.8	175.9	-70.5	-67.6	-9.8	0	0	112.1	R61 A62 A63 K68 R69	R61-Q65 WeakPolarHBondContact O-CG 3.48Å; R61-Q65 PolarHBondContact O-N 2.96Å; R61-Q65 VanDerWaalsContact O-N 3.13Å; A62-Q65 PolarHBondContact O-N 3.05Å; A63-Q65 VanDerWaalsContact C-N 3.32Å; A63-Q65 PolarHBondContact O-N 2.95Å; Q65-K68 PolarHBondContact O-N 3.16Å; Q65-R69 PolarHBondContact O-N 3.37Å; Q65-R69 VanDerWaalsContact O-N 3.07Å
66	A	87.3	Confident	88.3	Confident	0 Å²	0	95.1 Å²	95.1	0%	0	44%	0.444	C	S	.	.	H	α-helix	trans	-62.2	-46	174.3	0	0	0	0	0	111.6	E48 T51 A52 A62 A63 K68 R69 K70	E48-A66 WeakPolarHBondContact OE2-CA 3.4Å; E48-A66 WeakPolarHBondContact OE2-CB 3.42Å; T51-A66 HydrophobicContact CG2-CB 3.96Å; A52-A66 HydrophobicContact CB-CB 4.07Å; A62-A66 PolarHBondContact O-N 3.03Å; A63-A66 PolarHBondContact O-N 3.47Å; A66-K68 VanDerWaalsContact C-N 3.32Å; A66-K68 PolarHBondContact O-N 3.39Å; A66-R69 PolarHBondContact O-N 2.96Å; A66-R69 VanDerWaalsContact O-N 3.1Å; A66-K70 PolarHBondContact O-N 3.48Å
67	L	89.3	Confident	88.7	Confident	76 Å²	76	94.3 Å²	94.3	40%	0.398	43%	0.43	S	S	.	.	H	α-helix	trans	-61.1	-38.1	175.8	-69.2	174.3	0	0	0	112.8	A52 A63 K70 K71	A52-L67 HydrophobicContact CB-CD2 3.75Å; A52-L67 HydrophobicContact CB-CG 3.84Å; A63-L67 WeakPolarHBondContact O-CG 3.5Å; A63-L67 PolarHBondContact O-N 3.36Å; L67-K70 WeakPolarHBondContact O-CB 3.33Å; L67-K70 PolarHBondContact O-N 2.99Å; L67-K71 WeakPolarHBondContact O-CG 3.48Å; L67-K71 PolarHBondContact O-N 3.48Å
68	K	89	Confident	88.7	Confident	126 Å²	126	90.1 Å²	90.1	55%	0.548	41%	0.413	S	S	.	.	H	α-helix	trans	-63.9	-38.8	174	-76.4	179.9	-177.9	-174.9	0	112.4	L64 Q65 A66 R72	L64-K68 WeakPolarHBondContact O-CG 3.41Å; L64-K68 PolarHBondContact O-N 2.89Å; Q65-K68 PolarHBondContact O-N 3.16Å; A66-K68 VanDerWaalsContact C-N 3.32Å; A66-K68 PolarHBondContact O-N 3.39Å; K68-R72 WeakPolarHBondContact O-CG 3.09Å; K68-R72 PolarHBondContact O-N 3.02Å
69	R	90.6	Very high	88.5	Confident	92 Å²	92	87.2 Å²	87.2	35%	0.347	40%	0.402	S	S	.	.	H	α-helix	trans	-67.6	-45.7	174.5	-71.1	-169.9	-60.5	-90.1	-4.2	111.1	E48 Q65 A66 K71 R72 Y73	E48-R69 HydrophobicContact CG-CB 4.02Å; E48-R69 IonicContact OE1-CZ 3.63Å; E48-R69 IonicContact OE1-NE 2.78Å; E48-R69 PolarHBondContact OE1-NE 3.39Å; E48-R69 IonicContact OE1-NH2 3.6Å; E48-R69 IonicContact OE2-CZ 3.32Å; E48-R69 IonicContact OE2-NE 3.1Å; E48-R69 PolarHBondContact OE2-NE 3.23Å; E48-R69 VanDerWaalsContact OE2-NE 3.1Å; E48-R69 IonicContact OE2-NH2 2.73Å; E48-R69 PolarHBondContact OE2-NH2 2.91Å; Q65-R69 PolarHBondContact O-N 3.37Å; Q65-R69 VanDerWaalsContact O-N 3.07Å; A66-R69 PolarHBondContact O-N 2.96Å; A66-R69 VanDerWaalsContact O-N 3.1Å; R69-K71 PolarHBondContact O-N 3.02Å; R69-R72 WeakPolarHBondContact O-CB 3.49Å; R69-R72 PolarHBondContact O-N 3.38Å; R69-Y73 HydrophobicContact CB-CE2 4.15Å; R69-Y73 WeakPolarHBondContact O-CD2 3.4Å; R69-Y73 PolarHBondContact O-N 2.83Å
70	K	94.9	Very high	88.4	Confident	39 Å²	39	84.2 Å²	84.2	17%	0.17	39%	0.386	C	S	.	.	H	α-helix	trans	-49.8	-53.9	172.9	-174.7	178.2	-170.6	-87.5	0	111.5	I45 E48 L49 A66 L67 R72 Y73 E74	I45-K70 HydrophobicContact CG2-CD 4.34Å; I45-K70 HydrophobicContact CG2-CG 3.92Å; E48-K70 HydrophobicContact CB-CB 3.96Å; L49-K70 HydrophobicContact CB-CD 4.2Å; L49-K70 HydrophobicContact CD1-CD 4.12Å; A66-K70 PolarHBondContact O-N 3.48Å; L67-K70 WeakPolarHBondContact O-CB 3.33Å; L67-K70 PolarHBondContact O-N 2.99Å; K70-R72 VanDerWaalsContact C-N 3.26Å; K70-R72 PolarHBondContact O-N 2.83Å; K70-Y73 PolarHBondContact O-N 3.08Å; K70-E74 HydrophobicContact CG-CG 4.49Å; K70-E74 IonicContact NZ-OE1 2.59Å; K70-E74 PolarHBondContact NZ-OE1 3.34Å; K70-E74 WeakPolarHBondContact O-CG 3.49Å; K70-E74 PolarHBondContact O-N 2.92Å
71	K	88.9	Confident	88.4	Confident	140 Å²	140	79.5 Å²	79.5	61%	0.609	37%	0.368	S	S	*	.	H	α-helix	trans	-59.9	-32.3	179.1	-77.4	-79	162	-147.3	0	113.7	L67 R69 E74 K75	L67-K71 WeakPolarHBondContact O-CG 3.48Å; L67-K71 PolarHBondContact O-N 3.48Å; R69-K71 PolarHBondContact O-N 3.02Å; K71-E74 WeakPolarHBondContact CD-OE2 3.43Å; K71-E74 VanDerWaalsContact CE-OE2 3.27Å; K71-E74 WeakPolarHBondContact CE-OE2 3.25Å; K71-E74 IonicContact NZ-OE1 3.98Å; K71-E74 IonicContact NZ-OE2 2.74Å; K71-E74 PolarHBondContact NZ-OE2 2.83Å; K71-K75 PolarHBondContact O-N 2.73Å
72	R	89.6	Confident	88.2	Confident	184 Å²	184	72 Å²	72	69%	0.694	35%	0.353	S	S	*	.	H	α-helix	trans	-70.8	-41.5	174.3	-74.1	175.6	-178.6	-102.6	0.8	111.8	K68 R69 K70 K75 Q76	K68-R72 WeakPolarHBondContact O-CG 3.09Å; K68-R72 PolarHBondContact O-N 3.02Å; R69-R72 WeakPolarHBondContact O-CB 3.49Å; R69-R72 PolarHBondContact O-N 3.38Å; K70-R72 VanDerWaalsContact C-N 3.26Å; K70-R72 PolarHBondContact O-N 2.83Å; R72-K75 PolarHBondContact O-N 3.15Å; R72-Q76 WeakPolarHBondContact O-CG 3.38Å; R72-Q76 PolarHBondContact O-N 2.97Å; R72-Q76 VanDerWaalsContact O-N 3.1Å
73	Y	92.6	Very high	88.3	Confident	56 Å²	56	73.8 Å²	73.8	22%	0.22	36%	0.361	C	S	.	.	H	α-helix	trans	-66.6	-42.6	176.1	-60.4	-42.8	0	0	0	111.6	L41 K44 E48 R69 K70 K75 Q76 L77	L41-Y73 HydrophobicContact CD2-CD1 3.82Å; L41-Y73 HydrophobicContact CD2-CG 4.35Å; K44-Y73 HydrophobicContact CB-CD2 3.77Å; K44-Y73 HydrophobicContact CB-CE2 3.79Å; K44-Y73 HydrophobicContact CB-CG 4.25Å; E48-Y73 HydrophobicContact CG-CD2 4.17Å; E48-Y73 HydrophobicContact CG-CE2 3.81Å; R69-Y73 HydrophobicContact CB-CE2 4.15Å; R69-Y73 WeakPolarHBondContact O-CD2 3.4Å; R69-Y73 PolarHBondContact O-N 2.83Å; K70-Y73 PolarHBondContact O-N 3.08Å; Y73-K75 VanDerWaalsContact C-N 3.3Å; Y73-K75 PolarHBondContact O-N 3.39Å; Y73-Q76 CarbonylContact O-C 3.54Å; Y73-Q76 WeakPolarHBondContact O-CB 3.2Å; Y73-Q76 PolarHBondContact O-N 3.06Å; Y73-L77 WeakPolarHBondContact O-CB 3.27Å; Y73-L77 PolarHBondContact O-N 3.23Å
74	E	89.6	Confident	88.6	Confident	51 Å²	51	74.4 Å²	74.4	24%	0.238	36%	0.363	C	S	.	.	H	α-helix	trans	-56.3	-43.4	173.3	-71.7	173.6	171.1	0	0	112.1	I45 K70 K71 Q76 L77 G78	I45-E74 HydrophobicContact CD1-CG 3.94Å; I45-E74 HydrophobicContact CG1-CG 4.28Å; I45-E74 HydrophobicContact CG2-CG 4.45Å; K70-E74 HydrophobicContact CG-CG 4.49Å; K70-E74 IonicContact NZ-OE1 2.59Å; K70-E74 PolarHBondContact NZ-OE1 3.34Å; K70-E74 WeakPolarHBondContact O-CG 3.49Å; K70-E74 PolarHBondContact O-N 2.92Å; K71-E74 WeakPolarHBondContact CD-OE2 3.43Å; K71-E74 VanDerWaalsContact CE-OE2 3.27Å; K71-E74 WeakPolarHBondContact CE-OE2 3.25Å; K71-E74 IonicContact NZ-OE1 3.98Å; K71-E74 IonicContact NZ-OE2 2.74Å; K71-E74 PolarHBondContact NZ-OE2 2.83Å; E74-Q76 VanDerWaalsContact C-N 3.32Å; E74-Q76 PolarHBondContact O-N 3.1Å; E74-L77 WeakPolarHBondContact O-CB 3.46Å; E74-L77 PolarHBondContact O-N 2.88Å; E74-G78 PolarHBondContact O-N 3.07Å
75	K	88.4	Confident	88.7	Confident	148 Å²	148	73.5 Å²	73.5	64%	0.643	36%	0.364	S	S	*	.	H	α-helix	trans	-63.6	-39.1	176.3	-176.4	175.5	179.9	176.8	0	112	K71 R72 Y73 L77 Q79	K71-K75 PolarHBondContact O-N 2.73Å; R72-K75 PolarHBondContact O-N 3.15Å; Y73-K75 VanDerWaalsContact C-N 3.3Å; Y73-K75 PolarHBondContact O-N 3.39Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-Q79 VanDerWaalsContact O-CG 3.31Å; K75-Q79 WeakPolarHBondContact O-CG 3.33Å; K75-Q79 PolarHBondContact O-N 2.82Å
76	Q	85.3	Confident	88.8	Confident	84 Å²	84	72.6 Å²	72.6	39%	0.393	37%	0.365	S	S	.	.	H	α-helix	trans	-68.5	-35.7	176.2	-71.8	177	12.3	0	0	111.8	L41 R72 Y73 E74 Q79 I80	L41-Q76 HydrophobicContact CD1-CB 3.8Å; R72-Q76 WeakPolarHBondContact O-CG 3.38Å; R72-Q76 PolarHBondContact O-N 2.97Å; R72-Q76 VanDerWaalsContact O-N 3.1Å; Y73-Q76 CarbonylContact O-C 3.54Å; Y73-Q76 WeakPolarHBondContact O-CB 3.2Å; Y73-Q76 PolarHBondContact O-N 3.06Å; E74-Q76 VanDerWaalsContact C-N 3.32Å; E74-Q76 PolarHBondContact O-N 3.1Å; Q76-Q79 PolarHBondContact O-N 3.43Å; Q76-I80 WeakPolarHBondContact O-CG1 3.5Å; Q76-I80 PolarHBondContact O-N 2.87Å; Q76-I80 VanDerWaalsContact O-N 3.07Å
77	L	91.4	Very high	88.8	Confident	26 Å²	26	73.4 Å²	73.4	14%	0.136	37%	0.369	C	S	.	.	H	α-helix	trans	-60.8	-56.6	176.5	-167.6	70.4	0	0	0	110.1	Q38 L41 E42 I45 Y73 E74 K75 Q79 I80 D81	Q38-L77 HydrophobicContact CB-CD1 4.18Å; Q38-L77 HydrophobicContact CG-CD1 3.4Å; Q38-L77 VanDerWaalsContact CG-CD1 3.4Å; Q38-L77 HydrophobicContact CG-CG 4.48Å; L41-L77 HydrophobicContact CB-CD1 4.03Å; L41-L77 HydrophobicContact CD1-CD1 4.49Å; E42-L77 HydrophobicContact CG-CD1 3.99Å; E42-L77 HydrophobicContact CG-CD2 3.98Å; I45-L77 HydrophobicContact CD1-CB 4.45Å; I45-L77 HydrophobicContact CD1-CD2 3.92Å; Y73-L77 WeakPolarHBondContact O-CB 3.27Å; Y73-L77 PolarHBondContact O-N 3.23Å; E74-L77 WeakPolarHBondContact O-CB 3.46Å; E74-L77 PolarHBondContact O-N 2.88Å; K75-L77 VanDerWaalsContact C-N 3.33Å; L77-Q79 PolarHBondContact O-N 3.37Å; L77-Q79 VanDerWaalsContact O-N 3.08Å; L77-I80 CarbonylContact O-C 3.59Å; L77-I80 WeakPolarHBondContact O-CA 3.48Å; L77-I80 WeakPolarHBondContact O-CB 3.35Å; L77-I80 PolarHBondContact O-N 2.96Å; L77-D81 VanDerWaalsContact O-CG 3.22Å; L77-D81 PolarHBondContact O-N 2.91Å
78	G	86.3	Confident	88.8	Confident	45 Å²	45	73.4 Å²	73.4	46%	0.464	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-26.6	178.7	0	0	0	0	0	114.4	E74 G82	E74-G78 PolarHBondContact O-N 3.07Å; G78-G82 PolarHBondContact O-N 3.4Å
79	Q	84.6	Confident	88.7	Confident	115 Å²	115	72.8 Å²	72.8	54%	0.537	37%	0.365	S	S	.	.	H	α-helix	trans	-70.2	-38.4	170.9	-74.7	-179.9	-40.3	0	0	112.6	K75 Q76 L77 T83	K75-Q79 VanDerWaalsContact O-CG 3.31Å; K75-Q79 WeakPolarHBondContact O-CG 3.33Å; K75-Q79 PolarHBondContact O-N 2.82Å; Q76-Q79 PolarHBondContact O-N 3.43Å; L77-Q79 PolarHBondContact O-N 3.37Å; L77-Q79 VanDerWaalsContact O-N 3.08Å; Q79-T83 WeakPolarHBondContact O-CB 3.39Å; Q79-T83 PolarHBondContact O-N 3.27Å; Q79-T83 VanDerWaalsContact O-N 3.15Å; Q79-T83 PolarHBondContact O-OG1 3.48Å
80	I	89.9	Confident	88.5	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.041	37%	0.369	C	S	.	.	H	α-helix	trans	-67.3	-45.7	175.6	-72.1	170.1	0	0	0	109.5	L34 K37 Q38 L41 Q76 L77 G82 T83 L84	L34-I80 HydrophobicContact CB-CG2 4.14Å; L34-I80 HydrophobicContact CD2-CG1 4.46Å; L34-I80 HydrophobicContact CD2-CG2 4.27Å; K37-I80 HydrophobicContact CB-CD1 4.2Å; K37-I80 HydrophobicContact CD-CD1 3.59Å; K37-I80 HydrophobicContact CG-CD1 3.69Å; Q38-I80 HydrophobicContact CB-CG2 4.43Å; L41-I80 HydrophobicContact CD1-CD1 3.55Å; Q76-I80 WeakPolarHBondContact O-CG1 3.5Å; Q76-I80 PolarHBondContact O-N 2.87Å; Q76-I80 VanDerWaalsContact O-N 3.07Å; L77-I80 CarbonylContact O-C 3.59Å; L77-I80 WeakPolarHBondContact O-CA 3.48Å; L77-I80 WeakPolarHBondContact O-CB 3.35Å; L77-I80 PolarHBondContact O-N 2.96Å; I80-G82 PolarHBondContact O-N 2.83Å; I80-T83 CarbonylContact O-C 3.54Å; I80-T83 WeakPolarHBondContact O-CA 3.43Å; I80-T83 WeakPolarHBondContact O-CB 3.36Å; I80-T83 PolarHBondContact O-N 3.05Å; I80-L84 WeakPolarHBondContact O-CB 3.41Å; I80-L84 PolarHBondContact O-N 2.94Å
81	D	86.4	Confident	88.4	Confident	60 Å²	60	74 Å²	74	32%	0.321	37%	0.372	S	S	.	.	H	α-helix	trans	-58.3	-47.3	-178.8	-53.6	-22.8	0	0	0	111	L77 T83 L84 S85	L77-D81 VanDerWaalsContact O-CG 3.22Å; L77-D81 PolarHBondContact O-N 2.91Å; D81-T83 VanDerWaalsContact C-N 3.3Å; D81-T83 PolarHBondContact O-N 3.29Å; D81-L84 WeakPolarHBondContact O-CB 3.36Å; D81-L84 PolarHBondContact O-N 2.97Å; D81-S85 PolarHBondContact O-N 3.3Å
82	G	85.8	Confident	88.4	Confident	42 Å²	42	72.5 Å²	72.5	43%	0.433	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-32.2	175	0	0	0	0	0	113.8	G78 I80 T86	G78-G82 PolarHBondContact O-N 3.4Å; I80-G82 PolarHBondContact O-N 2.83Å; G82-T86 PolarHBondContact O-N 3.24Å; G82-T86 PolarHBondContact O-OG1 3.32Å
83	T	87.1	Confident	88.2	Confident	67 Å²	67	65.2 Å²	65.2	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-71.3	-40.2	175	-55.8	0	0	0	0	111.2	L34 Q79 I80 D81 T86 I87	L34-T83 HydrophobicContact CD1-CG2 3.97Å; Q79-T83 WeakPolarHBondContact O-CB 3.39Å; Q79-T83 PolarHBondContact O-N 3.27Å; Q79-T83 VanDerWaalsContact O-N 3.15Å; Q79-T83 PolarHBondContact O-OG1 3.48Å; I80-T83 CarbonylContact O-C 3.54Å; I80-T83 WeakPolarHBondContact O-CA 3.43Å; I80-T83 WeakPolarHBondContact O-CB 3.36Å; I80-T83 PolarHBondContact O-N 3.05Å; D81-T83 VanDerWaalsContact C-N 3.3Å; D81-T83 PolarHBondContact O-N 3.29Å; T83-T86 WeakPolarHBondContact O-CB 3.23Å; T83-T86 PolarHBondContact O-N 2.97Å; T83-I87 HydrophobicContact CG2-CD1 3.95Å; T83-I87 WeakPolarHBondContact O-CG1 3.26Å; T83-I87 PolarHBondContact O-N 3.38Å
84	L	89.9	Confident	88	Confident	21 Å²	21	65.4 Å²	65.4	11%	0.11	35%	0.351	C	S	.	.	H	α-helix	trans	-61.2	-51.8	178.8	-164.8	108.1	0	0	0	109.9	L34 I80 D81 T86 I87 E88	L34-L84 HydrophobicContact CB-CD1 3.79Å; I80-L84 WeakPolarHBondContact O-CB 3.41Å; I80-L84 PolarHBondContact O-N 2.94Å; D81-L84 WeakPolarHBondContact O-CB 3.36Å; D81-L84 PolarHBondContact O-N 2.97Å; L84-T86 VanDerWaalsContact C-N 3.26Å; L84-T86 PolarHBondContact O-N 2.99Å; L84-I87 PolarHBondContact O-N 3.1Å; L84-E88 VanDerWaalsContact CD2-OE1 3.31Å; L84-E88 WeakPolarHBondContact CD2-OE1 3.45Å; L84-E88 WeakPolarHBondContact O-CG 3.29Å; L84-E88 PolarHBondContact O-N 3.3Å
85	S	87.8	Confident	87.9	Confident	72 Å²	72	65.5 Å²	65.5	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-55.6	-40.3	175.8	173.1	0	0	0	0	112.5	D81 I87 F89	D81-S85 PolarHBondContact O-N 3.3Å; S85-I87 PolarHBondContact O-N 2.88Å; S85-F89 WeakPolarHBondContact O-CB 3.48Å; S85-F89 PolarHBondContact O-N 3.5Å
86	T	89.4	Confident	87.8	Confident	73 Å²	73	62.3 Å²	62.3	45%	0.448	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-40.4	175.7	-58.2	0	0	0	0	112.2	G82 T83 L84 Q90	G82-T86 PolarHBondContact O-N 3.24Å; G82-T86 PolarHBondContact O-OG1 3.32Å; T83-T86 WeakPolarHBondContact O-CB 3.23Å; T83-T86 PolarHBondContact O-N 2.97Å; L84-T86 VanDerWaalsContact C-N 3.26Å; L84-T86 PolarHBondContact O-N 2.99Å; T86-Q90 VanDerWaalsContact O-CG 3.27Å; T86-Q90 WeakPolarHBondContact O-CG 3.29Å; T86-Q90 PolarHBondContact O-N 3.3Å; T86-Q90 VanDerWaalsContact O-N 3.09Å
87	I	88.8	Confident	87.7	Confident	17 Å²	17	60.6 Å²	60.6	9%	0.087	34%	0.342	C	S	.	.	H	α-helix	trans	-71.3	-42.3	-179.5	-70.6	169	0	0	0	110.7	L27 T30 E31 L34 T83 L84 S85 F89 Q90 R91	L27-I87 HydrophobicContact CB-CG2 4Å; L27-I87 HydrophobicContact CD2-CG2 3.85Å; L27-I87 HydrophobicContact CG-CG2 4.49Å; T30-I87 HydrophobicContact CG2-CD1 3.72Å; E31-I87 HydrophobicContact CG-CB 4.35Å; E31-I87 HydrophobicContact CG-CG2 3.49Å; E31-I87 VanDerWaalsContact CG-CG2 3.49Å; L34-I87 HydrophobicContact CD1-CD1 3.55Å; T83-I87 HydrophobicContact CG2-CD1 3.95Å; T83-I87 WeakPolarHBondContact O-CG1 3.26Å; T83-I87 PolarHBondContact O-N 3.38Å; L84-I87 PolarHBondContact O-N 3.1Å; S85-I87 PolarHBondContact O-N 2.88Å; I87-F89 VanDerWaalsContact C-N 3.33Å; I87-F89 PolarHBondContact O-N 2.57Å; I87-Q90 PolarHBondContact O-N 3.24Å; I87-Q90 VanDerWaalsContact O-N 3.16Å; I87-R91 WeakPolarHBondContact O-CB 3.34Å; I87-R91 PolarHBondContact O-N 3.04Å
88	E	88.9	Confident	87.2	Confident	75 Å²	75	61.2 Å²	61.2	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-46.7	176.6	-71.8	172.1	155.5	0	0	110.8	L84 Q90 R91 E92	L84-E88 VanDerWaalsContact CD2-OE1 3.31Å; L84-E88 WeakPolarHBondContact CD2-OE1 3.45Å; L84-E88 WeakPolarHBondContact O-CG 3.29Å; L84-E88 PolarHBondContact O-N 3.3Å; E88-Q90 VanDerWaalsContact C-N 3.35Å; E88-Q90 PolarHBondContact O-N 3.24Å; E88-R91 WeakPolarHBondContact O-CB 3.47Å; E88-R91 PolarHBondContact O-N 3.47Å; E88-E92 WeakPolarHBondContact O-CB 3.41Å; E88-E92 PolarHBondContact O-N 2.87Å
89	F	86.9	Confident	87	Confident	114 Å²	114	62.7 Å²	62.7	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-59.1	-44.2	174.5	178.5	-100	0	0	0	112.3	S85 I87 R91 E92 A93	S85-F89 WeakPolarHBondContact O-CB 3.48Å; S85-F89 PolarHBondContact O-N 3.5Å; I87-F89 VanDerWaalsContact C-N 3.33Å; I87-F89 PolarHBondContact O-N 2.57Å; F89-R91 VanDerWaalsContact C-N 3.34Å; F89-R91 PolarHBondContact O-N 2.9Å; F89-E92 PolarHBondContact O-N 2.96Å; F89-A93 WeakPolarHBondContact O-CB 3.46Å; F89-A93 PolarHBondContact O-N 3.24Å
90	Q	86.3	Confident	86.8	Confident	94 Å²	94	60.7 Å²	60.7	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-37.8	177.4	-74.9	174.7	3.6	0	0	112.6	L27 T86 I87 E88 L94	L27-Q90 HydrophobicContact CD1-CB 4.36Å; T86-Q90 VanDerWaalsContact O-CG 3.27Å; T86-Q90 WeakPolarHBondContact O-CG 3.29Å; T86-Q90 PolarHBondContact O-N 3.3Å; T86-Q90 VanDerWaalsContact O-N 3.09Å; I87-Q90 PolarHBondContact O-N 3.24Å; I87-Q90 VanDerWaalsContact O-N 3.16Å; E88-Q90 VanDerWaalsContact C-N 3.35Å; E88-Q90 PolarHBondContact O-N 3.24Å; Q90-L94 WeakPolarHBondContact O-CG 3.23Å; Q90-L94 PolarHBondContact O-N 3.14Å; Q90-L94 VanDerWaalsContact O-N 3.09Å
91	R	91.9	Very high	86.5	Confident	63 Å²	63	64.5 Å²	64.5	24%	0.238	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-49.2	177.1	-174.7	-165.8	70.3	-149.3	-8.5	110.2	I24 L27 E31 I87 E88 F89 A93 L94 E95	I24-R91 HydrophobicContact CG2-CG 4.25Å; L27-R91 HydrophobicContact CB-CB 4.25Å; L27-R91 HydrophobicContact CB-CG 4.45Å; L27-R91 HydrophobicContact CD1-CB 4.08Å; E31-R91 WeakPolarHBondContact OE1-CD 3.37Å; E31-R91 IonicContact OE1-CZ 3.69Å; E31-R91 IonicContact OE1-NE 2.63Å; E31-R91 IonicContact OE1-NH1 3.71Å; E31-R91 PolarHBondContact OE1-NH1 2.96Å; E31-R91 IonicContact OE2-CZ 2.99Å; E31-R91 IonicContact OE2-NH1 3.5Å; E31-R91 PolarHBondContact OE2-NH1 3.01Å; I87-R91 WeakPolarHBondContact O-CB 3.34Å; I87-R91 PolarHBondContact O-N 3.04Å; E88-R91 WeakPolarHBondContact O-CB 3.47Å; E88-R91 PolarHBondContact O-N 3.47Å; F89-R91 VanDerWaalsContact C-N 3.34Å; F89-R91 PolarHBondContact O-N 2.9Å; R91-A93 PolarHBondContact O-N 3.36Å; R91-L94 PolarHBondContact O-N 2.92Å; R91-E95 WeakPolarHBondContact O-CG 3.33Å; R91-E95 PolarHBondContact O-N 2.93Å
92	E	89.1	Confident	86.4	Confident	107 Å²	107	67.2 Å²	67.2	50%	0.5	37%	0.373	S	S	.	.	H	α-helix	trans	-60.4	-46.1	178	-171.2	-173.4	163.3	0	0	111.5	E88 F89 L94 E95 N96	E88-E92 WeakPolarHBondContact O-CB 3.41Å; E88-E92 PolarHBondContact O-N 2.87Å; F89-E92 PolarHBondContact O-N 2.96Å; E92-L94 VanDerWaalsContact C-N 3.27Å; E92-L94 PolarHBondContact O-N 3.07Å; E92-E95 PolarHBondContact O-N 3Å; E92-E95 VanDerWaalsContact O-N 3.15Å; E92-N96 WeakPolarHBondContact O-CB 3.22Å; E92-N96 PolarHBondContact O-N 3.18Å; E92-N96 PolarHBondContact O-ND2 2.99Å
93	A	86.3	Confident	86.4	Confident	32 Å²	32	68.7 Å²	68.7	26%	0.264	37%	0.373	S	S	.	.	H	α-helix	trans	-58.3	-39.5	176.5	0	0	0	0	0	112.4	F89 R91 A97	F89-A93 WeakPolarHBondContact O-CB 3.46Å; F89-A93 PolarHBondContact O-N 3.24Å; R91-A93 PolarHBondContact O-N 3.36Å; A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.47Å; A93-A97 PolarHBondContact O-N 3Å
94	L	88.3	Confident	85.9	Confident	60 Å²	60	69.9 Å²	69.9	31%	0.314	38%	0.376	S	S	.	.	H	α-helix	trans	-70.4	-39.2	175.8	-78.7	171.3	0	0	0	112.9	A23 I24 L27 Q90 R91 E92 A97 N98	A23-L94 HydrophobicContact CB-CD1 4.05Å; I24-L94 HydrophobicContact CD1-CB 4.33Å; I24-L94 HydrophobicContact CG1-CB 3.92Å; L27-L94 HydrophobicContact CD1-CD1 3.65Å; Q90-L94 WeakPolarHBondContact O-CG 3.23Å; Q90-L94 PolarHBondContact O-N 3.14Å; Q90-L94 VanDerWaalsContact O-N 3.09Å; R91-L94 PolarHBondContact O-N 2.92Å; E92-L94 VanDerWaalsContact C-N 3.27Å; E92-L94 PolarHBondContact O-N 3.07Å; L94-A97 PolarHBondContact O-N 3.49Å; L94-N98 WeakPolarHBondContact O-CB 3.25Å; L94-N98 PolarHBondContact O-N 2.85Å
95	E	87.3	Confident	85.7	Confident	53 Å²	53	76.4 Å²	76.4	25%	0.248	40%	0.404	C	S	.	.	H	α-helix	trans	-63	-45.1	175.5	-74.6	176.2	171	0	0	110.6	I24 R28 R91 E92 N98 T99	I24-E95 HydrophobicContact CD1-CG 3.72Å; I24-E95 HydrophobicContact CG1-CG 4.1Å; I24-E95 HydrophobicContact CG2-CG 4.22Å; R28-E95 IonicContact CZ-OE1 3.61Å; R28-E95 IonicContact NE-OE1 3.64Å; R28-E95 IonicContact NH2-OE1 2.75Å; R28-E95 PolarHBondContact NH2-OE1 3.13Å; R91-E95 WeakPolarHBondContact O-CG 3.33Å; R91-E95 PolarHBondContact O-N 2.93Å; E92-E95 PolarHBondContact O-N 3Å; E92-E95 VanDerWaalsContact O-N 3.15Å; E95-N98 PolarHBondContact O-N 3.38Å; E95-T99 PolarHBondContact O-N 3.09Å; E95-T99 PolarHBondContact O-OG1 2.95Å; E95-T99 VanDerWaalsContact O-OG1 3.1Å
96	N	86.9	Confident	85.6	Confident	81 Å²	81	78 Å²	78	43%	0.433	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-45.3	175.4	-71.6	-20.3	0	0	0	112	E92 N98 T99 N100	E92-N96 WeakPolarHBondContact O-CB 3.22Å; E92-N96 PolarHBondContact O-N 3.18Å; E92-N96 PolarHBondContact O-ND2 2.99Å; N96-N98 VanDerWaalsContact C-N 3.3Å; N96-N98 PolarHBondContact O-N 2.94Å; N96-T99 PolarHBondContact O-N 3.03Å; N96-N100 WeakPolarHBondContact O-CB 3.3Å; N96-N100 VanDerWaalsContact O-CG 3.24Å; N96-N100 PolarHBondContact O-N 2.76Å
97	A	81.9	Confident	84.8	Confident	48 Å²	48	78.4 Å²	78.4	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-61.7	-38	176.4	0	0	0	0	0	112.5	A93 L94 T101	A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.47Å; A93-A97 PolarHBondContact O-N 3Å; L94-A97 PolarHBondContact O-N 3.49Å; A97-T101 WeakPolarHBondContact O-CB 3.33Å; A97-T101 PolarHBondContact O-N 2.93Å; A97-T101 PolarHBondContact O-OG1 3.34Å
98	N	82.6	Confident	84.2	Confident	38 Å²	38	79.2 Å²	79.2	20%	0.203	42%	0.417	C	S	.	.	H	α-helix	trans	-66.3	-45.7	176.8	-172.5	68.8	0	0	0	111.1	Q21 L94 E95 N96 T101 E102	Q21-N98 PolarHBondContact NE2-OD1 2.64Å; L94-N98 WeakPolarHBondContact O-CB 3.25Å; L94-N98 PolarHBondContact O-N 2.85Å; E95-N98 PolarHBondContact O-N 3.38Å; N96-N98 VanDerWaalsContact C-N 3.3Å; N96-N98 PolarHBondContact O-N 2.94Å; N98-T101 WeakPolarHBondContact O-CB 3.31Å; N98-T101 PolarHBondContact O-N 3.34Å; N98-E102 PolarHBondContact O-N 3.3Å; N98-E102 VanDerWaalsContact O-N 3.08Å
99	T	81.8	Confident	83.9	Confident	76 Å²	76	83 Å²	83	47%	0.466	43%	0.432	S	S	.	.	H	α-helix	trans	-58.5	-49.1	174.4	-57.7	0	0	0	0	111.7	E95 N96 T101 E102 V103	E95-T99 PolarHBondContact O-N 3.09Å; E95-T99 PolarHBondContact O-OG1 2.95Å; E95-T99 VanDerWaalsContact O-OG1 3.1Å; N96-T99 PolarHBondContact O-N 3.03Å; T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 2.8Å; T99-E102 PolarHBondContact O-N 3.33Å; T99-E102 VanDerWaalsContact O-N 3.1Å; T99-V103 WeakPolarHBondContact O-CG2 3.35Å; T99-V103 PolarHBondContact O-N 2.81Å
100	N	80.4	Confident	83.4	Confident	73 Å²	73	79.9 Å²	79.9	39%	0.39	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-38	179.2	-71.3	-7.8	0	0	0	111.9	N96 V103 L104	N96-N100 WeakPolarHBondContact O-CB 3.3Å; N96-N100 VanDerWaalsContact O-CG 3.24Å; N96-N100 PolarHBondContact O-N 2.76Å; N100-V103 PolarHBondContact O-N 3Å; N100-L104 WeakPolarHBondContact O-CB 3.5Å; N100-L104 WeakPolarHBondContact O-CG 3.47Å; N100-L104 PolarHBondContact O-N 3.01Å
101	T	82.9	Confident	82.8	Confident	89 Å²	89	77.5 Å²	77.5	55%	0.546	43%	0.425	S	S	.	.	H	α-helix	trans	-63.8	-41.5	175.6	-58.9	0	0	0	0	111.6	A97 N98 T99 K105	A97-T101 WeakPolarHBondContact O-CB 3.33Å; A97-T101 PolarHBondContact O-N 2.93Å; A97-T101 PolarHBondContact O-OG1 3.34Å; N98-T101 WeakPolarHBondContact O-CB 3.31Å; N98-T101 PolarHBondContact O-N 3.34Å; T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 2.8Å; T101-K105 WeakPolarHBondContact O-CB 3.24Å; T101-K105 PolarHBondContact O-N 3.35Å
102	E	84.9	Confident	82.2	Confident	116 Å²	116	81.8 Å²	81.8	54%	0.542	45%	0.445	S	S	.	.	H	α-helix	trans	-66.2	-42.2	175.9	-71.3	-162.1	153.3	0	0	112.2	N98 T99 K105 N106	N98-E102 PolarHBondContact O-N 3.3Å; N98-E102 VanDerWaalsContact O-N 3.08Å; T99-E102 PolarHBondContact O-N 3.33Å; T99-E102 VanDerWaalsContact O-N 3.1Å; E102-K105 PolarHBondContact O-N 3.45Å; E102-N106 WeakPolarHBondContact O-CB 3.44Å; E102-N106 VanDerWaalsContact O-CG 3.27Å; E102-N106 PolarHBondContact O-N 2.79Å; E102-N106 PolarHBondContact O-ND2 3.1Å
103	V	84.9	Confident	81.7	Confident	74 Å²	74	79.2 Å²	79.2	45%	0.448	44%	0.442	S	S	.	.	H	α-helix	trans	-57.3	-51.7	174.6	172.5	0	0	0	0	110.5	T99 N100 K105 N106 M107	T99-V103 WeakPolarHBondContact O-CG2 3.35Å; T99-V103 PolarHBondContact O-N 2.81Å; N100-V103 PolarHBondContact O-N 3Å; V103-K105 VanDerWaalsContact C-N 3.3Å; V103-K105 PolarHBondContact O-N 3.3Å; V103-N106 PolarHBondContact O-N 2.95Å; V103-N106 VanDerWaalsContact O-N 3.14Å; V103-M107 HydrophobicContact CG1-CG 4.38Å; V103-M107 HydrophobicContact CG1-SD 4.01Å; V103-M107 WeakPolarHBondContact O-CG 3.37Å; V103-M107 PolarHBondContact O-N 3.39Å
104	L	76.7	Confident	80.8	Confident	91 Å²	91	82.7 Å²	82.7	48%	0.476	45%	0.454	S	S	.	.	H	α-helix	trans	-60.8	-38.3	178.9	-72.1	174.6	0	0	0	112.5	N100 M107 G108	N100-L104 WeakPolarHBondContact O-CB 3.5Å; N100-L104 WeakPolarHBondContact O-CG 3.47Å; N100-L104 PolarHBondContact O-N 3.01Å; L104-M107 PolarHBondContact O-N 2.93Å; L104-G108 PolarHBondContact O-N 2.93Å
105	K	86.1	Confident	80	Confident	158 Å²	158	87.2 Å²	87.2	69%	0.687	47%	0.471	S	S	*	.	H	α-helix	trans	-64.5	-42.2	176.4	-173	-178.4	177.4	-173.7	0	111.6	T101 E102 V103 G108 F109	T101-K105 WeakPolarHBondContact O-CB 3.24Å; T101-K105 PolarHBondContact O-N 3.35Å; E102-K105 PolarHBondContact O-N 3.45Å; V103-K105 VanDerWaalsContact C-N 3.3Å; V103-K105 PolarHBondContact O-N 3.3Å; K105-G108 PolarHBondContact O-N 3.48Å; K105-F109 PolarHBondContact O-N 3.46Å
106	N	84.8	Confident	79.6	Confident	107 Å²	107	87.3 Å²	87.3	57%	0.572	48%	0.481	S	S	*	.	H	α-helix	trans	-68.3	-41.8	178	-69.7	-15	0	0	0	111.5	E102 V103 G108 F109 A110	E102-N106 WeakPolarHBondContact O-CB 3.44Å; E102-N106 VanDerWaalsContact O-CG 3.27Å; E102-N106 PolarHBondContact O-N 2.79Å; E102-N106 PolarHBondContact O-ND2 3.1Å; V103-N106 PolarHBondContact O-N 2.95Å; V103-N106 VanDerWaalsContact O-N 3.14Å; N106-G108 VanDerWaalsContact C-N 3.34Å; N106-G108 PolarHBondContact O-N 3.3Å; N106-F109 PolarHBondContact O-N 2.88Å; N106-A110 WeakPolarHBondContact O-CB 3.45Å; N106-A110 PolarHBondContact O-N 3.37Å
107	M	73.2	Confident	78.6	Confident	81 Å²	81	86.8 Å²	86.8	40%	0.399	49%	0.488	S	S	.	.	H	α-helix	trans	-59.7	-44.8	172.5	-70.6	178.3	77.4	0	0	111.5	V103 L104 F109 A110 A111 I143	V103-M107 HydrophobicContact CG1-CG 4.38Å; V103-M107 HydrophobicContact CG1-SD 4.01Å; V103-M107 WeakPolarHBondContact O-CG 3.37Å; V103-M107 PolarHBondContact O-N 3.39Å; L104-M107 PolarHBondContact O-N 2.93Å; M107-F109 VanDerWaalsContact C-N 3.31Å; M107-F109 PolarHBondContact O-N 2.79Å; M107-A110 PolarHBondContact O-N 3.05Å; M107-A111 WeakPolarHBondContact O-CB 3.47Å; M107-A111 PolarHBondContact O-N 3.42Å; M107-I143 HydrophobicContact CE-CD1 3.61Å; M107-I143 HydrophobicContact SD-CD1 4.35Å
108	G	77.1	Confident	77.7	Confident	33 Å²	33	89.6 Å²	89.6	34%	0.34	49%	0.493	S	S	.	.	H	α-helix	trans	-63.4	-34.2	176.1	0	0	0	0	0	113.4	L104 K105 N106 K112	L104-G108 PolarHBondContact O-N 2.93Å; K105-G108 PolarHBondContact O-N 3.48Å; N106-G108 VanDerWaalsContact C-N 3.34Å; N106-G108 PolarHBondContact O-N 3.3Å; G108-K112 VanDerWaalsContact O-CG 3.27Å; G108-K112 WeakPolarHBondContact O-CG 3.36Å; G108-K112 PolarHBondContact O-N 2.83Å
109	F	82.1	Confident	76.6	Confident	154 Å²	154	95 Å²	95	68%	0.675	52%	0.517	S	S	*	.	H	α-helix	trans	-69.2	-44.9	172.6	-178.3	-98.7	0	0	0	111.7	K105 N106 M107 K112 A113	K105-F109 PolarHBondContact O-N 3.46Å; N106-F109 PolarHBondContact O-N 2.88Å; M107-F109 VanDerWaalsContact C-N 3.31Å; M107-F109 PolarHBondContact O-N 2.79Å; F109-K112 PolarHBondContact O-N 2.93Å; F109-A113 PolarHBondContact O-N 2.95Å
110	A	75.6	Confident	75.4	Confident	50 Å²	50	99 Å²	99	41%	0.413	54%	0.535	S	S	.	.	H	α-helix	trans	-60.1	-45.9	176.3	0	0	0	0	0	111.7	N106 M107 K112 A113 M114	N106-A110 WeakPolarHBondContact O-CB 3.45Å; N106-A110 PolarHBondContact O-N 3.37Å; M107-A110 PolarHBondContact O-N 3.05Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.26Å; A110-A113 PolarHBondContact O-N 2.93Å; A110-A113 VanDerWaalsContact O-N 3.16Å; A110-M114 WeakPolarHBondContact O-CG 3.49Å; A110-M114 PolarHBondContact O-N 3.47Å
111	A	74.3	Confident	74.2	Confident	44 Å²	44	100 Å²	100	36%	0.364	54%	0.539	S	S	.	.	H	α-helix	trans	-60.3	-40.5	176.6	0	0	0	0	0	112.4	M107 M114 K115	M107-A111 WeakPolarHBondContact O-CB 3.47Å; M107-A111 PolarHBondContact O-N 3.42Å; A111-M114 PolarHBondContact O-N 2.92Å; A111-K115 WeakPolarHBondContact O-CB 3.48Å; A111-K115 PolarHBondContact O-N 3.48Å
112	K	78.4	Confident	72.8	Confident	153 Å²	153	102.5 Å²	102.5	67%	0.665	55%	0.549	S	S	*	.	H	α-helix	trans	-65.6	-40.9	174.4	-74.5	172.4	-174.6	177	0	112.3	G108 F109 A110 K115 A116	G108-K112 VanDerWaalsContact O-CG 3.27Å; G108-K112 WeakPolarHBondContact O-CG 3.36Å; G108-K112 PolarHBondContact O-N 2.83Å; F109-K112 PolarHBondContact O-N 2.93Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.26Å; K112-K115 PolarHBondContact O-N 3.43Å; K112-A116 WeakPolarHBondContact O-CB 3.42Å; K112-A116 PolarHBondContact O-N 3.21Å
113	A	78.7	Confident	71.2	Confident	52 Å²	52	103.5 Å²	103.5	43%	0.43	56%	0.556	S	S	.	*	H	α-helix	trans	-65.3	-42.6	176.5	0	0	0	0	0	111.6	F109 A110 A116 A117	F109-A113 PolarHBondContact O-N 2.95Å; A110-A113 PolarHBondContact O-N 2.93Å; A110-A113 VanDerWaalsContact O-N 3.16Å; A113-A116 PolarHBondContact O-N 2.83Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.5Å
114	M	68.7	Low	69.9	Low	105 Å²	105	107.5 Å²	107.5	52%	0.517	58%	0.575	S	S	.	*	H	α-helix	trans	-61.2	-46.5	173.1	-68.7	-148.7	-66.4	0	0	111.2	A110 A111 A116 A117 H118	A110-M114 WeakPolarHBondContact O-CG 3.49Å; A110-M114 PolarHBondContact O-N 3.47Å; A111-M114 PolarHBondContact O-N 2.92Å; M114-A116 PolarHBondContact O-N 3.16Å; M114-A117 WeakPolarHBondContact O-CB 3.33Å; M114-A117 PolarHBondContact O-N 3.09Å; M114-A117 VanDerWaalsContact O-N 3.15Å; M114-H118 PolarHBondContact O-CD2 2.82Å; M114-H118 PolarHBondContact O-N 3.46Å
115	K	70.6	Confident	68.9	Low	155 Å²	155	108.9 Å²	108.9	67%	0.674	58%	0.577	S	S	*	*	H	α-helix	trans	-56.9	-46.9	176.4	-174.5	177.4	-179.8	178	0	112.4	A111 K112 A117 H118 E119	A111-K115 WeakPolarHBondContact O-CB 3.48Å; A111-K115 PolarHBondContact O-N 3.48Å; K112-K115 PolarHBondContact O-N 3.43Å; K115-A117 VanDerWaalsContact C-N 3.32Å; K115-A117 PolarHBondContact O-N 3.48Å; K115-H118 CarbonylContact O-C 3.55Å; K115-H118 PolarHBondContact O-N 2.99Å; K115-H118 VanDerWaalsContact O-N 3.17Å; K115-E119 PolarHBondContact O-N 3.21Å
116	A	78	Confident	67.3	Low	56 Å²	56	104.8 Å²	104.8	46%	0.463	57%	0.565	S	S	.	*	H	α-helix	trans	-65.9	-33.7	178.6	0	0	0	0	0	112.6	K112 A113 M114 H118	K112-A116 WeakPolarHBondContact O-CB 3.42Å; K112-A116 PolarHBondContact O-N 3.21Å; A113-A116 PolarHBondContact O-N 2.83Å; M114-A116 PolarHBondContact O-N 3.16Å; A116-H118 VanDerWaalsContact C-N 3.31Å
117	A	67.4	Low	65.8	Low	70 Å²	70	106.2 Å²	106.2	58%	0.579	57%	0.573	S	S	*	*	H	α-helix	trans	-67.7	-30.7	173.4	0	0	0	0	0	112.5	A113 M114 K115	A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.5Å; M114-A117 WeakPolarHBondContact O-CB 3.33Å; M114-A117 PolarHBondContact O-N 3.09Å; M114-A117 VanDerWaalsContact O-N 3.15Å; K115-A117 VanDerWaalsContact C-N 3.32Å; K115-A117 PolarHBondContact O-N 3.48Å
118	H	61.6	Low	65	Low	107 Å²	107	107.2 Å²	107.2	50%	0.495	58%	0.58	S	S	.	*	H	α-helix	trans	-91.3	-10.9	178.5	-66.3	-56.1	0	0	0	114.4	M114 K115 A116 N120 M121	M114-H118 PolarHBondContact O-CD2 2.82Å; M114-H118 PolarHBondContact O-N 3.46Å; K115-H118 CarbonylContact O-C 3.55Å; K115-H118 PolarHBondContact O-N 2.99Å; K115-H118 VanDerWaalsContact O-N 3.17Å; A116-H118 VanDerWaalsContact C-N 3.31Å; H118-N120 PolarHBondContact O-N 3.04Å; H118-N120 VanDerWaalsContact O-N 3.13Å; H118-M121 PolarHBondContact O-N 3Å
119	E	60.2	Low	64	Low	151 Å²	151	109.9 Å²	109.9	71%	0.706	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-14.7	179.3	-163.6	168.3	-166.9	0	0	113.4	K115	K115-E119 PolarHBondContact O-N 3.21Å
120	N	56.1	Low	62.6	Low	159 Å²	159	108 Å²	108	85%	0.85	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	9.3	172.8	-79.2	-25.1	0	0	0	114.1	H118	H118-N120 PolarHBondContact O-N 3.04Å; H118-N120 VanDerWaalsContact O-N 3.13Å
121	M	56	Low	62	Low	95 Å²	95	111.6 Å²	111.6	47%	0.468	59%	0.589	S	S	.	*	S	Bend	trans	-103.5	124.1	178.5	-80	172.7	58.6	0	0	111.4	H118 K125	H118-M121 PolarHBondContact O-N 3Å; M121-K125 HydrophobicContact CE-CD 3.65Å
122	D	52.7	Low	61.2	Low	142 Å²	142	113.8 Å²	113.8	76%	0.759	60%	0.595	S	S	*	*			trans	-57	158.9	-171.7	-125.7	-35.5	0	0	0	116.1	D124	D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 PolarHBondContact O-N 3.07Å; D122-D124 VanDerWaalsContact O-N 3.1Å
123	I	52.1	Low	60.1	Low	136 Å²	136	110.7 Å²	110.7	70%	0.697	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-66.1	-8.4	-163	-95.9	164.6	0	0	0	116.9	K125 V126	I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 3.01Å; I123-V126 VanDerWaalsContact O-CG2 3.27Å; I123-V126 WeakPolarHBondContact O-CG2 3.44Å
124	D	57.6	Low	59.1	Low	159 Å²	159	111.6 Å²	111.6	85%	0.85	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-81.6	-4.3	-179.8	-67.7	-37	0	0	0	114.2	D122	D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 PolarHBondContact O-N 3.07Å; D122-D124 VanDerWaalsContact O-N 3.1Å
125	K	54.8	Low	59	Low	119 Å²	119	112.1 Å²	112.1	52%	0.517	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-98.8	14.3	178.1	-67.1	-167.7	175.2	-162.9	0	114.6	M121 I123 D127 D128 L129	M121-K125 HydrophobicContact CE-CD 3.65Å; I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 3.01Å; K125-D127 VanDerWaalsContact C-N 3.31Å; K125-D127 PolarHBondContact O-N 2.83Å; K125-D128 PolarHBondContact O-N 3.07Å; K125-L129 PolarHBondContact O-N 3.19Å; K125-L129 VanDerWaalsContact O-N 3.13Å
126	V	52.8	Low	58.2	Low	72 Å²	72	109.8 Å²	109.8	44%	0.436	58%	0.577	S	S	.	*	H	α-helix	trans	-72.1	-25.3	-176.5	172.2	0	0	0	0	112.4	I123 L129 M130	I123-V126 VanDerWaalsContact O-CG2 3.27Å; I123-V126 WeakPolarHBondContact O-CG2 3.44Å; V126-L129 WeakPolarHBondContact O-CB 3.43Å; V126-L129 PolarHBondContact O-N 3.05Å; V126-M130 WeakPolarHBondContact O-CG 3.46Å; V126-M130 PolarHBondContact O-N 3.4Å
127	D	54.6	Low	57	Low	138 Å²	138	113.2 Å²	113.2	74%	0.738	58%	0.584	S	S	*	*	H	α-helix	trans	-72.6	-38.9	174.8	-81.6	-11.8	0	0	0	112.2	K125 L129 M130 Q131	K125-D127 VanDerWaalsContact C-N 3.31Å; K125-D127 PolarHBondContact O-N 2.83Å; D127-L129 VanDerWaalsContact C-N 3.3Å; D127-L129 PolarHBondContact O-N 3.23Å; D127-M130 PolarHBondContact O-N 2.93Å; D127-Q131 PolarHBondContact O-N 3.49Å
128	D	56.6	Low	56.9	Low	102 Å²	102	116.2 Å²	116.2	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-66.1	-35.4	170.9	-69.4	-17.6	0	0	0	110.8	K125 M130 Q131 D132	K125-D128 PolarHBondContact O-N 3.07Å; D128-M130 VanDerWaalsContact C-N 3.34Å; D128-M130 PolarHBondContact O-N 3.3Å; D128-Q131 WeakPolarHBondContact O-CA 3.44Å; D128-Q131 WeakPolarHBondContact O-CB 3.42Å; D128-Q131 PolarHBondContact O-N 3.13Å; D128-Q131 VanDerWaalsContact O-N 3.1Å; D128-D132 PolarHBondContact O-N 3.17Å
129	L	54.5	Low	56.7	Low	88 Å²	88	114.4 Å²	114.4	46%	0.461	58%	0.579	S	S	.	*	H	α-helix	trans	-65.2	-33.8	175.8	-178.3	67.9	0	0	0	112.9	K125 V126 D127 Q131 D132 I133	K125-L129 PolarHBondContact O-N 3.19Å; K125-L129 VanDerWaalsContact O-N 3.13Å; V126-L129 WeakPolarHBondContact O-CB 3.43Å; V126-L129 PolarHBondContact O-N 3.05Å; D127-L129 VanDerWaalsContact C-N 3.3Å; D127-L129 PolarHBondContact O-N 3.23Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.44Å; L129-D132 PolarHBondContact O-N 3.24Å; L129-I133 HydrophobicContact CD1-CD1 4.3Å; L129-I133 HydrophobicContact CD1-CG1 4.46Å; L129-I133 HydrophobicContact CG-CD1 3.95Å; L129-I133 HydrophobicContact CG-CG1 4.49Å; L129-I133 WeakPolarHBondContact O-CB 3.33Å; L129-I133 WeakPolarHBondContact O-CD1 3.25Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.44Å
130	M	54.1	Low	56.3	Low	116 Å²	116	110 Å²	110	57%	0.571	57%	0.569	S	S	*	*	H	α-helix	trans	-68.1	-29.8	173.5	-75.9	-72	-71	0	0	111.5	V126 D127 D128 T134	V126-M130 WeakPolarHBondContact O-CG 3.46Å; V126-M130 PolarHBondContact O-N 3.4Å; D127-M130 PolarHBondContact O-N 2.93Å; D128-M130 VanDerWaalsContact C-N 3.34Å; D128-M130 PolarHBondContact O-N 3.3Å; M130-T134 PolarHBondContact O-N 2.97Å; M130-T134 PolarHBondContact O-OG1 2.98Å
131	Q	61.7	Low	56.6	Low	124 Å²	124	107.9 Å²	107.9	58%	0.579	55%	0.554	S	S	*	*	H	α-helix	trans	-72.6	-44.5	173.9	-159.6	169.1	-11.2	0	0	111.3	D127 D128 L129 I133 T134 E135	D127-Q131 PolarHBondContact O-N 3.49Å; D128-Q131 WeakPolarHBondContact O-CA 3.44Å; D128-Q131 WeakPolarHBondContact O-CB 3.42Å; D128-Q131 PolarHBondContact O-N 3.13Å; D128-Q131 VanDerWaalsContact O-N 3.1Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.44Å; Q131-I133 PolarHBondContact O-N 3.3Å; Q131-T134 PolarHBondContact O-N 3.32Å; Q131-T134 VanDerWaalsContact O-N 3.17Å; Q131-E135 PolarHBondContact O-N 2.68Å
132	D	57.2	Low	56.7	Low	91 Å²	91	109.6 Å²	109.6	49%	0.487	56%	0.561	S	S	.	*	H	α-helix	trans	-65.9	-33.9	176.4	-73.6	-9.4	0	0	0	113.3	D128 L129 T134 Q136	D128-D132 PolarHBondContact O-N 3.17Å; L129-D132 PolarHBondContact O-N 3.24Å; D132-T134 VanDerWaalsContact C-N 3.33Å; D132-Q136 WeakPolarHBondContact O-CB 3.31Å; D132-Q136 VanDerWaalsContact O-CG 3.22Å; D132-Q136 WeakPolarHBondContact O-CG 3.44Å; D132-Q136 PolarHBondContact O-N 3.25Å
133	I	55.7	Low	56.9	Low	88 Å²	88	105.2 Å²	105.2	45%	0.451	54%	0.537	S	S	.	.	H	α-helix	trans	-69.7	-34.6	174.7	-72.4	169.2	0	0	0	110.9	L129 Q131 Q136 Q137	L129-I133 HydrophobicContact CD1-CD1 4.3Å; L129-I133 HydrophobicContact CD1-CG1 4.46Å; L129-I133 HydrophobicContact CG-CD1 3.95Å; L129-I133 HydrophobicContact CG-CG1 4.49Å; L129-I133 WeakPolarHBondContact O-CB 3.33Å; L129-I133 WeakPolarHBondContact O-CD1 3.25Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.44Å; Q131-I133 PolarHBondContact O-N 3.3Å; I133-Q136 PolarHBondContact O-N 2.96Å; I133-Q137 WeakPolarHBondContact O-CB 3.4Å; I133-Q137 PolarHBondContact O-N 3.49Å
134	T	58.9	Low	56.8	Low	71 Å²	71	101.3 Å²	101.3	44%	0.436	52%	0.522	S	S	.	.	H	α-helix	trans	-72.1	-39.3	177	-50.1	0	0	0	0	110.5	M130 Q131 D132 Q137 E138	M130-T134 PolarHBondContact O-N 2.97Å; M130-T134 PolarHBondContact O-OG1 2.98Å; Q131-T134 PolarHBondContact O-N 3.32Å; Q131-T134 VanDerWaalsContact O-N 3.17Å; D132-T134 VanDerWaalsContact C-N 3.33Å; T134-Q137 WeakPolarHBondContact O-CB 3.43Å; T134-Q137 PolarHBondContact O-N 2.9Å; T134-E138 PolarHBondContact O-N 2.95Å
135	E	65.1	Low	57	Low	115 Å²	115	98.6 Å²	98.6	54%	0.537	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-38.2	171	-81.1	-175.3	177	0	0	112.9	Q131 Q137 E138 L139	Q131-E135 PolarHBondContact O-N 2.68Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.86Å; E135-E138 PolarHBondContact O-N 2.98Å; E135-L139 WeakPolarHBondContact O-CB 3.4Å; E135-L139 PolarHBondContact O-N 3.45Å
136	Q	53.7	Low	57	Low	107 Å²	107	96.1 Å²	96.1	50%	0.5	51%	0.509	S	S	.	.	H	α-helix	trans	-67	-30	172.8	-75.7	-91	-33.7	0	0	112.6	D132 I133 A140	D132-Q136 WeakPolarHBondContact O-CB 3.31Å; D132-Q136 VanDerWaalsContact O-CG 3.22Å; D132-Q136 WeakPolarHBondContact O-CG 3.44Å; D132-Q136 PolarHBondContact O-N 3.25Å; I133-Q136 PolarHBondContact O-N 2.96Å; Q136-A140 VanDerWaalsContact O-CB 3.28Å; Q136-A140 WeakPolarHBondContact O-CB 3.41Å; Q136-A140 PolarHBondContact O-N 3.39Å
137	Q	54.7	Low	57	Low	128 Å²	128	96.8 Å²	96.8	60%	0.598	51%	0.509	S	S	*	.	H	α-helix	trans	-72.9	-36.7	174.6	-164.1	172.3	12.2	0	0	111.2	I133 T134 E135 Q141	I133-Q137 WeakPolarHBondContact O-CB 3.4Å; I133-Q137 PolarHBondContact O-N 3.49Å; T134-Q137 WeakPolarHBondContact O-CB 3.43Å; T134-Q137 PolarHBondContact O-N 2.9Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.86Å; Q137-Q141 WeakPolarHBondContact O-CB 3.33Å; Q137-Q141 PolarHBondContact O-N 3.28Å
138	E	63.5	Low	56.7	Low	132 Å²	132	94 Å²	94	62%	0.617	50%	0.501	S	S	*	.	H	α-helix	trans	-67.5	-41.8	170	-76	-177.5	165.1	0	0	112.3	T134 E135 A140 Q141 E142	T134-E138 PolarHBondContact O-N 2.95Å; E135-E138 PolarHBondContact O-N 2.98Å; E138-A140 PolarHBondContact O-N 2.75Å; E138-Q141 CarbonylContact O-C 3.59Å; E138-Q141 WeakPolarHBondContact O-CA 3.28Å; E138-Q141 WeakPolarHBondContact O-CB 3.38Å; E138-Q141 PolarHBondContact O-N 2.96Å; E138-Q141 VanDerWaalsContact O-N 3.1Å; E138-E142 WeakPolarHBondContact O-CB 3.43Å; E138-E142 PolarHBondContact O-N 2.96Å
139	L	58.2	Low	56.5	Low	69 Å²	69	96.5 Å²	96.5	36%	0.361	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-37.9	176	-174.5	67.3	0	0	0	112.2	E135 Q141 E142 I143	E135-L139 WeakPolarHBondContact O-CB 3.4Å; E135-L139 PolarHBondContact O-N 3.45Å; L139-Q141 VanDerWaalsContact C-N 3.28Å; L139-E142 PolarHBondContact O-N 3.3Å; L139-I143 HydrophobicContact CG-CD1 4.21Å; L139-I143 WeakPolarHBondContact O-CB 3.47Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.47Å; L139-I143 PolarHBondContact O-N 2.86Å
140	A	52.1	Low	56.1	Low	58 Å²	58	96.9 Å²	96.9	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-66.1	-33.5	172.4	0	0	0	0	0	111.7	Q136 E138 S144	Q136-A140 VanDerWaalsContact O-CB 3.28Å; Q136-A140 WeakPolarHBondContact O-CB 3.41Å; Q136-A140 PolarHBondContact O-N 3.39Å; E138-A140 PolarHBondContact O-N 2.75Å; A140-S144 VanDerWaalsContact O-CB 3.24Å; A140-S144 WeakPolarHBondContact O-CB 3.43Å; A140-S144 PolarHBondContact O-N 3.01Å
141	Q	61.2	Low	56.1	Low	116 Å²	116	96.9 Å²	96.9	54%	0.542	52%	0.52	S	S	.	.	H	α-helix	trans	-71	-38.9	173.9	-152.1	71.1	38	0	0	111.4	Q137 E138 L139 S144 D145	Q137-Q141 WeakPolarHBondContact O-CB 3.33Å; Q137-Q141 PolarHBondContact O-N 3.28Å; E138-Q141 CarbonylContact O-C 3.59Å; E138-Q141 WeakPolarHBondContact O-CA 3.28Å; E138-Q141 WeakPolarHBondContact O-CB 3.38Å; E138-Q141 PolarHBondContact O-N 2.96Å; E138-Q141 VanDerWaalsContact O-N 3.1Å; L139-Q141 VanDerWaalsContact C-N 3.28Å; Q141-S144 CarbonylContact O-C 3.56Å; Q141-S144 WeakPolarHBondContact O-CB 3.4Å; Q141-S144 PolarHBondContact O-N 3.46Å; Q141-D145 PolarHBondContact O-N 3.15Å
142	E	58.1	Low	55.9	Low	130 Å²	130	92.6 Å²	92.6	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-68.6	-37.9	175.6	-169.6	178.2	-168.4	0	0	112.4	E138 L139 D145 A146	E138-E142 WeakPolarHBondContact O-CB 3.43Å; E138-E142 PolarHBondContact O-N 2.96Å; L139-E142 PolarHBondContact O-N 3.3Å; E142-D145 PolarHBondContact O-N 2.9Å; E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.42Å; E142-A146 PolarHBondContact O-N 2.89Å
143	I	57.3	Low	55.9	Low	50 Å²	50	98.4 Å²	98.4	26%	0.256	53%	0.531	S	S	.	.	H	α-helix	trans	-67.6	-39.2	170.5	-69.9	167.5	0	0	0	110.4	M107 L139 D145 A146 I147	M107-I143 HydrophobicContact CE-CD1 3.61Å; M107-I143 HydrophobicContact SD-CD1 4.35Å; L139-I143 HydrophobicContact CG-CD1 4.21Å; L139-I143 WeakPolarHBondContact O-CB 3.47Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.47Å; L139-I143 PolarHBondContact O-N 2.86Å; I143-D145 VanDerWaalsContact C-N 3.28Å; I143-D145 PolarHBondContact O-N 3.3Å; I143-A146 PolarHBondContact O-N 2.63Å; I143-I147 HydrophobicContact CG2-CD1 3.63Å; I143-I147 HydrophobicContact CG2-CG1 4.35Å; I143-I147 WeakPolarHBondContact O-CB 3.47Å; I143-I147 VanDerWaalsContact O-CG1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 2.98Å
144	S	49.7	Very low	55.7	Low	55 Å²	55	97 Å²	97	39%	0.385	54%	0.539	S	S	.	.	H	α-helix	trans	-60.9	-39.6	172.9	-169.5	0	0	0	0	110.6	A140 Q141 S148	A140-S144 VanDerWaalsContact O-CB 3.24Å; A140-S144 WeakPolarHBondContact O-CB 3.43Å; A140-S144 PolarHBondContact O-N 3.01Å; Q141-S144 CarbonylContact O-C 3.56Å; Q141-S144 WeakPolarHBondContact O-CB 3.4Å; Q141-S144 PolarHBondContact O-N 3.46Å; S144-S148 WeakPolarHBondContact O-CB 3.5Å; S144-S148 PolarHBondContact O-N 3.23Å; S144-S148 PolarHBondContact O-OG 3.02Å
145	D	62	Low	55.2	Low	102 Å²	102	101.8 Å²	101.8	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-75.4	-36.6	177.1	-77.7	-8.8	0	0	0	113	Q141 E142 I143 I147 S148 K149	Q141-D145 PolarHBondContact O-N 3.15Å; E142-D145 PolarHBondContact O-N 2.9Å; I143-D145 VanDerWaalsContact C-N 3.28Å; I143-D145 PolarHBondContact O-N 3.3Å; D145-I147 VanDerWaalsContact C-N 3.34Å; D145-I147 PolarHBondContact O-N 3.2Å; D145-S148 CarbonylContact O-C 3.59Å; D145-S148 PolarHBondContact O-N 3.09Å; D145-K149 PolarHBondContact O-N 3.44Å
146	A	54.7	Low	54.7	Low	67 Å²	67	105 Å²	105	55%	0.554	57%	0.571	S	S	*	*	H	α-helix	trans	-69.9	-29	176.2	0	0	0	0	0	113.1	E142 I143	E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.42Å; E142-A146 PolarHBondContact O-N 2.89Å; I143-A146 PolarHBondContact O-N 2.63Å
147	I	54	Low	54.5	Low	85 Å²	85	107.8 Å²	107.8	44%	0.436	58%	0.582	S	S	.	*	H	α-helix	trans	-83.9	-27.8	170.4	-64.9	171	0	0	0	111.3	I143 D145	I143-I147 HydrophobicContact CG2-CD1 3.63Å; I143-I147 HydrophobicContact CG2-CG1 4.35Å; I143-I147 WeakPolarHBondContact O-CB 3.47Å; I143-I147 VanDerWaalsContact O-CG1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 2.98Å; D145-I147 VanDerWaalsContact C-N 3.34Å; D145-I147 PolarHBondContact O-N 3.2Å
148	S	47.4	Very low	55	Low	81 Å²	81	105.8 Å²	105.8	57%	0.566	58%	0.575	S	S	*	*	H	α-helix	trans	-80.8	-13.2	176.3	-60.5	0	0	0	0	113.6	S144 D145	S144-S148 WeakPolarHBondContact O-CB 3.5Å; S144-S148 PolarHBondContact O-N 3.23Å; S144-S148 PolarHBondContact O-OG 3.02Å; D145-S148 CarbonylContact O-C 3.59Å; D145-S148 PolarHBondContact O-N 3.09Å
149	K	52.3	Low	55	Low	154 Å²	154	106.9 Å²	106.9	67%	0.67	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	121.3	157.8	-78.6	-173.2	177.2	-172.1	0	107.5	D145 V151	D145-K149 PolarHBondContact O-N 3.44Å; K149-V151 PolarHBondContact O-N 3.41Å
150	P	45.8	Very low	55.7	Low	96 Å²	96	109 Å²	109	62%	0.623	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	114.6	-154.3	-20.7	30.5	0	0	0	112.1	G152	P150-G152 VanDerWaalsContact CB-O 3.23Å; P150-G152 WeakPolarHBondContact CB-O 3.48Å; P150-G152 PolarHBondContact O-N 3.02Å
151	V	54.4	Low	57.1	Low	115 Å²	115	111.6 Å²	111.6	70%	0.697	60%	0.598	S	S	*	*	S	Bend	trans	-62.6	93	138.6	-175.3	0	0	0	0	105.9	K149	K149-V151 PolarHBondContact O-N 3.41Å
152	G	58.8	Low	58	Low	34 Å²	34	110.1 Å²	110.1	35%	0.351	59%	0.593	S	S	.	*	S	Bend	trans	111.4	114.9	174.4	0	0	0	0	0	114.5	P150	P150-G152 VanDerWaalsContact CB-O 3.23Å; P150-G152 WeakPolarHBondContact CB-O 3.48Å; P150-G152 PolarHBondContact O-N 3.02Å
153	F	56.5	Low	58.9	Low	213 Å²	213	108.8 Å²	108.8	93%	0.934	59%	0.59	S	S	*	*	S	Bend	trans	72.8	88.4	164.2	-112.3	-98.4	0	0	0	115.1
154	G	50.9	Low	60.3	Low	60 Å²	60	109.1 Å²	109.1	62%	0.619	60%	0.6	S	S	*	*			trans	145.2	14	156.2	0	0	0	0	0	120.4
155	E	48.9	Very low	62	Low	171 Å²	171	112 Å²	112	80%	0.799	61%	0.607	S	S	*	*			trans	-106.3	93.8	151.7	-79	-172	167	0	0	105.5	F157	E155-F157 PolarHBondContact O-N 3.22Å
156	E	53.8	Low	63	Low	181 Å²	181	111.4 Å²	111.4	85%	0.846	60%	0.604	S	S	*	*				68	37.8	85.3	-67.8	-175.8	179.5	0	0	113.2
157	F	51.3	Low	64.5	Low	167 Å²	167	114.9 Å²	114.9	73%	0.732	61%	0.608	S	S	*	*			trans	-84.1	110.2	148.1	-58.6	-69.8	0	0	0	107.1	E155 E159 L162	E155-F157 PolarHBondContact O-N 3.22Å; F157-E159 PolarHBondContact O-N 3.4Å; F157-L162 HydrophobicContact CB-CD1 3.67Å; F157-L162 HydrophobicContact CB-CD2 4.37Å; F157-L162 HydrophobicContact CB-CG 4.03Å; F157-L162 HydrophobicContact CD1-CD2 4.36Å; F157-L162 HydrophobicContact CG-CD1 4.43Å
158	D	64.1	Low	66.1	Low	86 Å²	86	116.8 Å²	116.8	46%	0.46	62%	0.615	S	S	.	*			trans	-63.8	125.1	168.9	-164.3	-23.9	0	0	0	107.6	D160 D161 L162	D158-D160 PolarHBondContact O-N 2.85Å; D158-D160 WeakPolarHBondContact OD1-CB 3.38Å; D158-D160 PolarHBondContact OD1-N 3.32Å; D158-D161 HydrophobicContact CB-CB 3.99Å; D158-D161 PolarHBondContact O-N 3.05Å; D158-D161 VanDerWaalsContact O-N 3.1Å; D158-L162 PolarHBondContact O-N 3.43Å
159	E	63.4	Low	67.8	Low	154 Å²	154	117.4 Å²	117.4	72%	0.72	61%	0.612	S	S	*	*	H	α-helix	trans	-57	-30.9	175.9	-71	-177.2	177.8	0	0	110.2	F157 L163	F157-E159 PolarHBondContact O-N 3.4Å; E159-L163 WeakPolarHBondContact O-CB 3.18Å; E159-L163 WeakPolarHBondContact O-CD1 3.22Å; E159-L163 WeakPolarHBondContact O-CG 3.38Å; E159-L163 PolarHBondContact O-N 3.3Å
160	D	73.8	Confident	69.3	Low	114 Å²	114	115.6 Å²	115.6	61%	0.61	61%	0.606	S	S	*	*	H	α-helix	trans	-70.7	-39.1	177	-70.5	-15.9	0	0	0	112.2	D158 L163 A164	D158-D160 PolarHBondContact O-N 2.85Å; D158-D160 WeakPolarHBondContact OD1-CB 3.38Å; D158-D160 PolarHBondContact OD1-N 3.32Å; D160-L163 PolarHBondContact O-N 3.05Å; D160-A164 WeakPolarHBondContact O-CB 3.35Å; D160-A164 PolarHBondContact O-N 2.93Å
161	D	80.6	Confident	71.1	Confident	113 Å²	113	115.8 Å²	115.8	60%	0.604	60%	0.598	S	S	*	*	H	α-helix	trans	-67.3	-41.4	176.5	-75.7	-13.1	0	0	0	110.9	D158 A164 E165	D158-D161 HydrophobicContact CB-CB 3.99Å; D158-D161 PolarHBondContact O-N 3.05Å; D158-D161 VanDerWaalsContact O-N 3.1Å; D161-A164 PolarHBondContact O-N 3.26Å; D161-E165 PolarHBondContact O-N 3.33Å
162	L	81	Confident	72.4	Confident	84 Å²	84	114.4 Å²	114.4	44%	0.44	58%	0.584	S	S	.	*	H	α-helix	trans	-66.3	-37.4	175.7	-68.5	179.3	0	0	0	112.4	F157 D158 L166	F157-L162 HydrophobicContact CB-CD1 3.67Å; F157-L162 HydrophobicContact CB-CD2 4.37Å; F157-L162 HydrophobicContact CB-CG 4.03Å; F157-L162 HydrophobicContact CD1-CD2 4.36Å; F157-L162 HydrophobicContact CG-CD1 4.43Å; D158-L162 PolarHBondContact O-N 3.43Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 PolarHBondContact O-N 3.44Å
163	L	76.6	Confident	73.4	Confident	103 Å²	103	118.8 Å²	118.8	54%	0.539	60%	0.595	S	S	.	*	H	α-helix	trans	-66.5	-39.4	174.8	-77.7	169.3	0	0	0	111.5	E159 D160 L166 E167	E159-L163 WeakPolarHBondContact O-CB 3.18Å; E159-L163 WeakPolarHBondContact O-CD1 3.22Å; E159-L163 WeakPolarHBondContact O-CG 3.38Å; E159-L163 PolarHBondContact O-N 3.3Å; D160-L163 PolarHBondContact O-N 3.05Å; L163-L166 PolarHBondContact O-N 3.5Å; L163-E167 PolarHBondContact O-N 3.4Å
164	A	86.7	Confident	74.6	Confident	56 Å²	56	113.6 Å²	113.6	46%	0.463	58%	0.577	S	S	.	*	H	α-helix	trans	-64.6	-43.9	175.4	0	0	0	0	0	111.8	D160 D161 L166 E167 E168	D160-A164 WeakPolarHBondContact O-CB 3.35Å; D160-A164 PolarHBondContact O-N 2.93Å; D161-A164 PolarHBondContact O-N 3.26Å; A164-L166 VanDerWaalsContact C-N 3.33Å; A164-L166 PolarHBondContact O-N 3.21Å; A164-E167 PolarHBondContact O-N 2.74Å; A164-E168 PolarHBondContact O-N 3.36Å
165	E	84	Confident	76	Confident	116 Å²	116	114.3 Å²	114.3	54%	0.542	57%	0.567	S	S	.	*	H	α-helix	trans	-63	-40.1	175.5	-172.8	176.4	178.6	0	0	111.5	D161 E168 L169	D161-E165 PolarHBondContact O-N 3.33Å; E165-E168 PolarHBondContact O-N 3.39Å; E165-L169 WeakPolarHBondContact O-CG 3.49Å; E165-L169 PolarHBondContact O-N 3.05Å
166	L	83.6	Confident	77.4	Confident	90 Å²	90	112.3 Å²	112.3	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-63.5	-43.2	175.6	-177.1	64.3	0	0	0	112	L162 L163 A164 E168 L169 E170	L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 PolarHBondContact O-N 3.44Å; L163-L166 PolarHBondContact O-N 3.5Å; A164-L166 VanDerWaalsContact C-N 3.33Å; A164-L166 PolarHBondContact O-N 3.21Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 3.48Å; L166-L169 PolarHBondContact O-N 2.97Å; L166-E170 WeakPolarHBondContact O-CG 3.33Å; L166-E170 PolarHBondContact O-N 3.1Å
167	E	86.3	Confident	78.3	Confident	139 Å²	139	107.1 Å²	107.1	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-63.1	-38.6	177.3	-173.9	172.4	-161.7	0	0	111.6	L163 A164 E170 Q171	L163-E167 PolarHBondContact O-N 3.4Å; A164-E167 PolarHBondContact O-N 2.74Å; E167-E170 PolarHBondContact O-N 3.13Å; E167-Q171 WeakPolarHBondContact O-CB 3.36Å; E167-Q171 PolarHBondContact O-N 3.48Å
168	E	88.9	Confident	79.5	Confident	126 Å²	126	104.4 Å²	104.4	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-62.5	-46.4	174.2	-175	170.1	-164.5	0	0	111.6	A164 E165 L166 E170 Q171 E172	A164-E168 PolarHBondContact O-N 3.36Å; E165-E168 PolarHBondContact O-N 3.39Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 3.48Å; E168-E170 PolarHBondContact O-N 2.95Å; E168-Q171 PolarHBondContact O-N 3.46Å; E168-E172 WeakPolarHBondContact O-CG 3.5Å; E168-E172 PolarHBondContact O-N 3.49Å
169	L	81.5	Confident	79.7	Confident	94 Å²	94	105.8 Å²	105.8	49%	0.492	53%	0.533	S	S	.	.	H	α-helix	trans	-63.3	-40.7	177.4	-70.5	173.8	0	0	0	112.7	E165 L166 E172 E173	E165-L169 WeakPolarHBondContact O-CG 3.49Å; E165-L169 PolarHBondContact O-N 3.05Å; L166-L169 PolarHBondContact O-N 2.97Å; L169-E172 PolarHBondContact O-N 2.9Å; L169-E173 PolarHBondContact O-N 3.5Å; L169-E173 VanDerWaalsContact O-N 3.1Å
170	E	83.8	Confident	79.9	Confident	115 Å²	115	104.8 Å²	104.8	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-42.5	175.1	-74.4	-174.6	167.5	0	0	111.3	L166 E167 E168 E173 L174	L166-E170 WeakPolarHBondContact O-CG 3.33Å; L166-E170 PolarHBondContact O-N 3.1Å; E167-E170 PolarHBondContact O-N 3.13Å; E168-E170 PolarHBondContact O-N 2.95Å; E170-E173 PolarHBondContact O-N 2.95Å; E170-L174 WeakPolarHBondContact O-CG 3.38Å; E170-L174 PolarHBondContact O-N 3.33Å
171	Q	83.6	Confident	79.2	Confident	100 Å²	100	104 Å²	104	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-65.4	-41.2	177.1	-172.7	62.3	41.6	0	0	111.8	E167 E168 E173 L174 D175	E167-Q171 WeakPolarHBondContact O-CB 3.36Å; E167-Q171 PolarHBondContact O-N 3.48Å; E168-Q171 PolarHBondContact O-N 3.46Å; Q171-E173 VanDerWaalsContact C-N 3.3Å; Q171-E173 PolarHBondContact O-N 3.1Å; Q171-L174 PolarHBondContact O-N 3.39Å; Q171-D175 PolarHBondContact NE2-OD1 3.29Å; Q171-D175 WeakPolarHBondContact O-CB 3.2Å; Q171-D175 PolarHBondContact O-N 3.08Å
172	E	81.5	Confident	78.1	Confident	86 Å²	86	101.7 Å²	101.7	40%	0.402	52%	0.52	S	S	.	.	H	α-helix	trans	-59.4	-39.9	174.2	-77.3	-166.1	-174.5	0	0	112.5	E168 L169 K176	E168-E172 WeakPolarHBondContact O-CG 3.5Å; E168-E172 PolarHBondContact O-N 3.49Å; L169-E172 PolarHBondContact O-N 2.9Å; E172-K176 WeakPolarHBondContact O-CB 3.5Å; E172-K176 VanDerWaalsContact O-CG 3.29Å; E172-K176 WeakPolarHBondContact O-CG 3.36Å; E172-K176 PolarHBondContact O-N 2.75Å; E172-K176 IonicContact OE2-NZ 3.52Å
173	E	80.6	Confident	76.9	Confident	126 Å²	126	102.4 Å²	102.4	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-69.6	-41	177.5	-172.2	174.3	-177.7	0	0	111.5	L169 E170 Q171 K176 N177	L169-E173 PolarHBondContact O-N 3.5Å; L169-E173 VanDerWaalsContact O-N 3.1Å; E170-E173 PolarHBondContact O-N 2.95Å; Q171-E173 VanDerWaalsContact C-N 3.3Å; Q171-E173 PolarHBondContact O-N 3.1Å; E173-K176 PolarHBondContact O-N 2.62Å; E173-N177 WeakPolarHBondContact O-CB 3.45Å; E173-N177 PolarHBondContact O-N 2.88Å; E173-N177 PolarHBondContact O-ND2 3.14Å
174	L	81.6	Confident	75.8	Confident	105 Å²	105	102.8 Å²	102.8	55%	0.55	54%	0.538	S	S	.	.	H	α-helix	trans	-62.4	-42.5	174.1	-70.3	173.6	0	0	0	111.9	E170 Q171 N177 L178	E170-L174 WeakPolarHBondContact O-CG 3.38Å; E170-L174 PolarHBondContact O-N 3.33Å; Q171-L174 PolarHBondContact O-N 3.39Å; L174-N177 PolarHBondContact O-N 2.94Å; L174-L178 WeakPolarHBondContact O-CB 3.49Å; L174-L178 PolarHBondContact O-N 3.1Å
175	D	79.7	Confident	74.1	Confident	75 Å²	75	106.4 Å²	106.4	40%	0.401	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-40.5	177.5	-76.9	-3.2	0	0	0	111.4	Q171 L178 L179	Q171-D175 PolarHBondContact NE2-OD1 3.29Å; Q171-D175 WeakPolarHBondContact O-CB 3.2Å; Q171-D175 PolarHBondContact O-N 3.08Å; D175-L178 PolarHBondContact O-N 2.99Å; D175-L179 WeakPolarHBondContact O-CB 3.47Å; D175-L179 WeakPolarHBondContact O-CG 3.42Å; D175-L179 PolarHBondContact O-N 3.31Å
176	K	79.3	Confident	72.8	Confident	129 Å²	129	108.8 Å²	108.8	56%	0.561	56%	0.562	S	S	*	*	H	α-helix	trans	-60.7	-47.5	172.3	-77.7	168.2	-171.2	149.9	0	111.7	E172 E173 L178 L179 E180	E172-K176 WeakPolarHBondContact O-CB 3.5Å; E172-K176 VanDerWaalsContact O-CG 3.29Å; E172-K176 WeakPolarHBondContact O-CG 3.36Å; E172-K176 PolarHBondContact O-N 2.75Å; E172-K176 IonicContact OE2-NZ 3.52Å; E173-K176 PolarHBondContact O-N 2.62Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 PolarHBondContact O-N 3.19Å; K176-L179 PolarHBondContact O-N 2.9Å; K176-E180 PolarHBondContact O-N 3.5Å
177	N	73.5	Confident	71.6	Confident	71 Å²	71	108.4 Å²	108.4	38%	0.38	56%	0.563	S	S	.	*	H	α-helix	trans	-62.5	-39	176.9	-76.3	-50.7	0	0	0	111.7	E173 L174 E180 I181	E173-N177 WeakPolarHBondContact O-CB 3.45Å; E173-N177 PolarHBondContact O-N 2.88Å; E173-N177 PolarHBondContact O-ND2 3.14Å; L174-N177 PolarHBondContact O-N 2.94Å; N177-E180 PolarHBondContact O-N 2.83Å; N177-I181 WeakPolarHBondContact O-CD1 3.27Å; N177-I181 VanDerWaalsContact O-CG1 3.23Å; N177-I181 WeakPolarHBondContact O-CG1 3.48Å; N177-I181 PolarHBondContact O-N 2.97Å
178	L	74.7	Confident	70.6	Confident	110 Å²	110	107.3 Å²	107.3	58%	0.576	57%	0.568	S	S	*	*	H	α-helix	trans	-69.4	-39.8	177.5	-173.4	64.8	0	0	0	111.9	L174 D175 K176 E180 I181 A182	L174-L178 WeakPolarHBondContact O-CB 3.49Å; L174-L178 PolarHBondContact O-N 3.1Å; D175-L178 PolarHBondContact O-N 2.99Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 PolarHBondContact O-N 3.19Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-I181 PolarHBondContact O-N 3.12Å; L178-A182 VanDerWaalsContact O-CB 3.23Å; L178-A182 WeakPolarHBondContact O-CB 3.5Å; L178-A182 PolarHBondContact O-N 3.33Å
179	L	69.8	Low	69.7	Low	116 Å²	116	108.7 Å²	108.7	61%	0.607	58%	0.579	S	S	*	*	H	α-helix	trans	-62.6	-39	172.7	-83.3	160	0	0	0	111.6	D175 K176 S183	D175-L179 WeakPolarHBondContact O-CB 3.47Å; D175-L179 WeakPolarHBondContact O-CG 3.42Å; D175-L179 PolarHBondContact O-N 3.31Å; K176-L179 PolarHBondContact O-N 2.9Å; L179-S183 VanDerWaalsContact O-CB 3.29Å; L179-S183 WeakPolarHBondContact O-CB 3.38Å; L179-S183 PolarHBondContact O-N 3.16Å; L179-S183 PolarHBondContact O-OG 3Å
180	E	66.6	Low	69.2	Low	133 Å²	133	109.8 Å²	109.8	62%	0.621	59%	0.591	S	S	*	*	H	α-helix	trans	-65.6	-44.1	174.9	-167.6	172.3	-179.5	0	0	111.3	K176 N177 L178 S183 T184	K176-E180 PolarHBondContact O-N 3.5Å; N177-E180 PolarHBondContact O-N 2.83Å; L178-E180 VanDerWaalsContact C-N 3.32Å; E180-S183 PolarHBondContact O-N 2.93Å; E180-T184 WeakPolarHBondContact O-CG2 3.27Å; E180-T184 PolarHBondContact O-N 3.26Å
181	I	59.6	Low	68.8	Low	96 Å²	96	112.1 Å²	112.1	49%	0.492	61%	0.608	S	S	.	*	H	α-helix	trans	-63.5	-47.6	175.3	-67.5	164	0	0	0	111.1	N177 L178 S183 T184 E185	N177-I181 WeakPolarHBondContact O-CD1 3.27Å; N177-I181 VanDerWaalsContact O-CG1 3.23Å; N177-I181 WeakPolarHBondContact O-CG1 3.48Å; N177-I181 PolarHBondContact O-N 2.97Å; L178-I181 PolarHBondContact O-N 3.12Å; I181-S183 PolarHBondContact O-N 3.03Å; I181-T184 PolarHBondContact O-N 3Å; I181-T184 PolarHBondContact O-OG1 3.06Å; I181-E185 PolarHBondContact O-N 3.46Å
182	A	56.9	Low	67.8	Low	66 Å²	66	112.9 Å²	112.9	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-63.4	-29.7	178.8	0	0	0	0	0	112.6	L178 T184	L178-A182 VanDerWaalsContact O-CB 3.23Å; L178-A182 WeakPolarHBondContact O-CB 3.5Å; L178-A182 PolarHBondContact O-N 3.33Å; A182-T184 VanDerWaalsContact C-N 3.29Å; A182-T184 PolarHBondContact O-N 3.11Å
183	S	56.4	Low	67	Low	99 Å²	99	114.1 Å²	114.1	69%	0.692	63%	0.634	S	S	*	*	H	α-helix	trans	-72.6	-21.8	174.6	-59.5	0	0	0	0	113	L179 E180 I181	L179-S183 VanDerWaalsContact O-CB 3.29Å; L179-S183 WeakPolarHBondContact O-CB 3.38Å; L179-S183 PolarHBondContact O-N 3.16Å; L179-S183 PolarHBondContact O-OG 3Å; E180-S183 PolarHBondContact O-N 2.93Å; I181-S183 PolarHBondContact O-N 3.03Å
184	T	54.2	Low	66.1	Low	110 Å²	110	114 Å²	114	68%	0.675	65%	0.648	S	S	*	*	H	α-helix	trans	-94.2	-12.6	-179.9	60.8	0	0	0	0	114.4	E180 I181 A182 N186	E180-T184 WeakPolarHBondContact O-CG2 3.27Å; E180-T184 PolarHBondContact O-N 3.26Å; I181-T184 PolarHBondContact O-N 3Å; I181-T184 PolarHBondContact O-OG1 3.06Å; A182-T184 VanDerWaalsContact C-N 3.29Å; A182-T184 PolarHBondContact O-N 3.11Å; T184-N186 PolarHBondContact O-N 2.68Å
185	E	50.8	Low	65.1	Low	133 Å²	133	114.2 Å²	114.2	62%	0.621	65%	0.654	S	S	*	*			trans	-99.6	78.9	179	-88.4	-163.5	157.5	0	0	112.7	I181 V187	I181-E185 PolarHBondContact O-N 3.46Å; E185-V187 HydrophobicContact CB-CG2 3.68Å; E185-V187 VanDerWaalsContact CD-CG2 3.42Å; E185-V187 HydrophobicContact CG-CG2 3.56Å; E185-V187 PolarHBondContact O-N 3.42Å
186	N	56.3	Low	64.3	Low	166 Å²	166	116.2 Å²	116.2	89%	0.888	67%	0.673	S	S	*	*			trans	-71.1	67.2	147.3	-108.9	-61.1	0	0	0	108.1	T184 P188	T184-N186 PolarHBondContact O-N 2.68Å; N186-P188 VanDerWaalsContact O-CD 3.26Å; N186-P188 WeakPolarHBondContact O-CD 3.29Å
187	V	58.9	Low	63.4	Low	81 Å²	81	117.6 Å²	117.6	49%	0.491	69%	0.686	S	S	.	*			trans	-76.4	114.3	172.9	173.8	0	0	0	0	107.1	E185 L189	E185-V187 HydrophobicContact CB-CG2 3.68Å; E185-V187 VanDerWaalsContact CD-CG2 3.42Å; E185-V187 HydrophobicContact CG-CG2 3.56Å; E185-V187 PolarHBondContact O-N 3.42Å; V187-L189 PolarHBondContact O-N 3.48Å
188	P	64.3	Low	62.6	Low	117 Å²	117	119.9 Å²	119.9	76%	0.76	71%	0.705	S	S	*	*			trans	-66.2	110.6	175.2	26.9	-30	0	0	0	107.9	N186	N186-P188 VanDerWaalsContact O-CD 3.26Å; N186-P188 WeakPolarHBondContact O-CD 3.29Å
189	L	69.9	Low	61.5	Low	155 Å²	155	119.7 Å²	119.7	81%	0.812	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-54.1	135.5	174.2	-72.5	163.2	0	0	0	109.3	V187 N191	V187-L189 PolarHBondContact O-N 3.48Å; L189-N191 PolarHBondContact O-N 2.85Å
190	P	71.9	Confident	60.5	Low	116 Å²	116	124.6 Å²	124.6	75%	0.753	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-63.8	131.7	177.8	24.4	-31.2	0	0	0	109.9	V192	P190-V192 PolarHBondContact O-N 2.9Å
191	N	74.4	Confident	59.7	Low	164 Å²	164	123.5 Å²	123.5	88%	0.877	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-56.1	125.5	176.2	-102.6	-4.2	0	0	0	110.1	L189	L189-N191 PolarHBondContact O-N 2.85Å
192	V	62.8	Low	59.1	Low	117 Å²	117	123.7 Å²	123.7	71%	0.709	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-60.7	140.3	172.5	-67.8	0	0	0	0	109.8	P190 S194	P190-V192 PolarHBondContact O-N 2.9Å; V192-S194 PolarHBondContact O-N 3.39Å; V192-S194 VanDerWaalsContact O-N 3.12Å
193	P	65.1	Low	58.5	Low	111 Å²	111	125.8 Å²	125.8	72%	0.721	76%	0.755	S	S	*	*			trans	-68.6	112.7	179.7	-13.5	27.6	0	0	0	110.4	T195	P193-T195 PolarHBondContact O-N 3.21Å
194	S	62.2	Low	58.5	Low	124 Å²	124	130.2 Å²	130.2	87%	0.867	77%	0.765	S	S	*	*			trans	-79.7	48.3	172.4	-53.4	0	0	0	0	112.1	V192	V192-S194 PolarHBondContact O-N 3.39Å; V192-S194 VanDerWaalsContact O-N 3.12Å
195	T	59.7	Low	58.4	Low	110 Å²	110	132.8 Å²	132.8	68%	0.675	77%	0.767	S	S	*	*			trans	-101	111.4	177.3	57.2	0	0	0	0	109.8	P193 L197	P193-T195 PolarHBondContact O-N 3.21Å; T195-L197 PolarHBondContact O-N 2.98Å
196	S	63.1	Low	58.3	Low	117 Å²	117	133.3 Å²	133.3	82%	0.818	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-62.5	122.1	166.7	58.2	0	0	0	0	108.9
197	L	60	Low	57.9	Low	158 Å²	158	133.1 Å²	133.1	83%	0.827	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-61	140.5	176.2	-68.8	168.2	0	0	0	110.5	T195 A199	T195-L197 PolarHBondContact O-N 2.98Å; L197-A199 PolarHBondContact O-N 3.19Å
198	P	56.2	Low	57.5	Low	119 Å²	119	136.8 Å²	136.8	77%	0.773	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-67	133.8	176.7	26.1	-31.3	0	0	0	110.5	R200	P198-R200 PolarHBondContact O-N 3.48Å
199	A	53.1	Low	57	Low	105 Å²	105	137.3 Å²	137.3	87%	0.868	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-59.3	118.6	176.1	0	0	0	0	0	110.6	L197	L197-A199 PolarHBondContact O-N 3.19Å
200	R	49.2	Very low	56.3	Low	220 Å²	220	134.5 Å²	134.5	83%	0.83	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-80.9	138.5	174.3	-164	176.3	-174.5	-162.2	0.6	109.1	P198 A202	P198-R200 PolarHBondContact O-N 3.48Å; R200-A202 PolarHBondContact O-N 3.41Å
201	P	47.8	Very low	55.8	Low	110 Å²	110	135 Å²	135	71%	0.714	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-61.9	138.2	175.8	24.6	-32.1	0	0	0	110.6	V203	P201-V203 PolarHBondContact O-N 3.24Å
202	A	47.7	Very low	55.4	Low	99 Å²	99	131.9 Å²	131.9	82%	0.818	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-56.6	122.6	-174.9	0	0	0	0	0	112	R200	R200-A202 PolarHBondContact O-N 3.41Å
203	V	45.3	Very low	55.9	Low	110 Å²	110	131.1 Å²	131.1	67%	0.667	72%	0.718	S	S	*	*			trans	-96.2	101.3	169.5	178.9	0	0	0	0	107.3	P201 K205	P201-V203 PolarHBondContact O-N 3.24Å; V203-K205 HydrophobicContact CG1-CB 3.99Å; V203-K205 PolarHBondContact O-N 2.88Å
204	Q	55.2	Low	56.3	Low	193 Å²	193	131.6 Å²	131.6	90%	0.902	71%	0.712	S	S	*	*			trans	-76.8	50.8	174	-73.1	-174.5	-26.4	0	0	112.3
205	K	52.5	Low	57.1	Low	163 Å²	163	131.4 Å²	131.4	71%	0.709	70%	0.696	S	S	*	*			trans	-134.4	15.4	-176.4	-128.7	-174.6	-175.9	-167.2	0	116.2	V203	V203-K205 HydrophobicContact CG1-CB 3.99Å; V203-K205 PolarHBondContact O-N 2.88Å
206	K	48.1	Very low	58	Low	145 Å²	145	131.4 Å²	131.4	63%	0.63	69%	0.692	S	S	*	*	S	Bend	trans	-111	-19.1	-179.5	-137	179.8	-179.5	-166.9	0	114.6	D210	K206-D210 VanDerWaalsContact O-CG 3.28Å; K206-D210 PolarHBondContact O-N 2.94Å
207	Q	47.7	Very low	58.6	Low	162 Å²	162	131.6 Å²	131.6	76%	0.757	68%	0.683	S	S	*	*	H	α-helix	trans	-77.1	-28.5	179.2	-78	179.4	-34.7	0	0	113.6	E211	Q207-E211 PolarHBondContact O-N 3.48Å
208	E	50.4	Low	59.5	Low	157 Å²	157	130.4 Å²	130.4	73%	0.734	67%	0.673	S	S	*	*	H	α-helix	trans	-73.3	-35.9	176.6	-82	-179.2	157.9	0	0	112.7	D212	E208-D212 PolarHBondContact O-N 2.98Å
209	E	54.7	Low	60.8	Low	129 Å²	129	128 Å²	128	60%	0.603	66%	0.663	S	S	*	*	H	α-helix	trans	-69.9	-43.3	176.2	-92.1	177.5	163.7	0	0	111.6	E211 D212 D213	E209-E211 VanDerWaalsContact C-N 3.3Å; E209-E211 PolarHBondContact O-N 3.1Å; E209-D212 PolarHBondContact O-N 3Å; E209-D213 PolarHBondContact O-N 3.15Å; E209-D213 VanDerWaalsContact O-N 3.11Å
210	D	55.9	Low	61.9	Low	96 Å²	96	132.9 Å²	132.9	51%	0.513	66%	0.659	S	S	.	*	H	α-helix	trans	-68.5	-27.2	-178.6	-66.1	-25.6	0	0	0	112.4	K206 M214	K206-D210 VanDerWaalsContact O-CG 3.28Å; K206-D210 PolarHBondContact O-N 2.94Å; D210-M214 PolarHBondContact O-N 3.26Å
211	E	60.6	Low	63	Low	125 Å²	125	126.2 Å²	126.2	58%	0.584	65%	0.652	S	S	*	*	H	α-helix	trans	-79.2	-31	175.1	-81.6	-170.7	-177	0	0	113.7	Q207 E209 K215	Q207-E211 PolarHBondContact O-N 3.48Å; E209-E211 VanDerWaalsContact C-N 3.3Å; E209-E211 PolarHBondContact O-N 3.1Å; E211-K215 WeakPolarHBondContact O-CG 3.48Å; E211-K215 PolarHBondContact O-N 3.48Å
212	D	67	Low	64.1	Low	100 Å²	100	125.1 Å²	125.1	54%	0.535	65%	0.651	S	S	.	*	H	α-helix	trans	-74.6	-43.5	177.9	-129.2	10.1	0	0	0	110.4	E208 E209 M214 K215 D216	E208-D212 PolarHBondContact O-N 2.98Å; E209-D212 PolarHBondContact O-N 3Å; D212-M214 VanDerWaalsContact C-N 3.26Å; D212-M214 PolarHBondContact O-N 3.17Å; D212-K215 PolarHBondContact O-N 3.16Å; D212-K215 VanDerWaalsContact O-N 3.16Å; D212-D216 PolarHBondContact O-N 3.13Å
213	D	72.3	Confident	64.1	Low	100 Å²	100	130.4 Å²	130.4	54%	0.535	67%	0.666	S	S	.	*	H	α-helix	trans	-61	-35.5	176.4	-75.9	-10.6	0	0	0	112.1	E209 L217	E209-D213 PolarHBondContact O-N 3.15Å; E209-D213 VanDerWaalsContact O-N 3.11Å; D213-L217 WeakPolarHBondContact O-CD1 3.47Å; D213-L217 WeakPolarHBondContact O-CG 3.39Å; D213-L217 PolarHBondContact O-N 3.4Å
214	M	72.4	Confident	65	Low	122 Å²	122	131.5 Å²	131.5	60%	0.601	67%	0.666	S	S	*	*	H	α-helix	trans	-71.1	-37.1	177.8	-171.8	159.6	-71.5	0	0	112.2	D210 D212 L217 E218	D210-M214 PolarHBondContact O-N 3.26Å; D212-M214 VanDerWaalsContact C-N 3.26Å; D212-M214 PolarHBondContact O-N 3.17Å; M214-L217 PolarHBondContact O-N 3.38Å; M214-E218 WeakPolarHBondContact O-CG 3.45Å; M214-E218 PolarHBondContact O-N 2.85Å; M214-E218 VanDerWaalsContact O-N 3.15Å
215	K	79.1	Confident	65.5	Low	120 Å²	120	128.2 Å²	128.2	52%	0.522	65%	0.654	S	S	.	*	H	α-helix	trans	-70.3	-37.7	177	-76.6	173	-174.5	156.9	0	112.5	E211 D212 L217 E218 A219	E211-K215 WeakPolarHBondContact O-CG 3.48Å; E211-K215 PolarHBondContact O-N 3.48Å; D212-K215 PolarHBondContact O-N 3.16Å; D212-K215 VanDerWaalsContact O-N 3.16Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 3.39Å; K215-E218 PolarHBondContact O-N 2.93Å; K215-A219 PolarHBondContact O-N 3.41Å
216	D	78.5	Confident	66.3	Low	110 Å²	110	126.3 Å²	126.3	59%	0.588	65%	0.651	S	S	*	*	H	α-helix	trans	-65.1	-36.2	176.8	-81.9	-8.5	0	0	0	111.9	D212 W220	D212-D216 PolarHBondContact O-N 3.13Å; D216-W220 PolarHBondContact O-N 2.98Å; D216-W220 VanDerWaalsContact O-N 3.17Å
217	L	76.2	Confident	67.3	Low	121 Å²	121	125.2 Å²	125.2	63%	0.634	65%	0.652	S	S	*	*	H	α-helix	trans	-68.1	-40.4	173.7	-79	163.7	0	0	0	112.8	D213 M214 K215 W220 A221	D213-L217 WeakPolarHBondContact O-CD1 3.47Å; D213-L217 WeakPolarHBondContact O-CG 3.39Å; D213-L217 PolarHBondContact O-N 3.4Å; M214-L217 PolarHBondContact O-N 3.38Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 3.39Å; L217-W220 PolarHBondContact O-N 2.94Å; L217-A221 PolarHBondContact O-N 3.27Å
218	E	79.1	Confident	68.6	Low	133 Å²	133	122.9 Å²	122.9	62%	0.621	65%	0.645	S	S	*	*	H	α-helix	trans	-65.4	-38.9	176.3	-74.3	-178.8	176.3	0	0	112.2	M214 K215 A221 A222	M214-E218 WeakPolarHBondContact O-CG 3.45Å; M214-E218 PolarHBondContact O-N 2.85Å; M214-E218 VanDerWaalsContact O-N 3.15Å; K215-E218 PolarHBondContact O-N 2.93Å; E218-A221 PolarHBondContact O-N 2.97Å; E218-A222 PolarHBondContact O-N 3.46Å
219	A	82.9	Confident	69.8	Low	68 Å²	68	120.6 Å²	120.6	56%	0.562	64%	0.639	S	S	*	*	H	α-helix	trans	-68.3	-32.8	177.2	0	0	0	0	0	112.9	K215	K215-A219 PolarHBondContact O-N 3.41Å
220	W	76.4	Confident	70.8	Confident	207 Å²	207	120 Å²	120	78%	0.784	64%	0.642	S	S	*	*	H	α-helix	trans	-70.9	-37.1	175.1	-175.8	81.3	0	0	0	112.7	D216 L217 A222	D216-W220 PolarHBondContact O-N 2.98Å; D216-W220 VanDerWaalsContact O-N 3.17Å; L217-W220 PolarHBondContact O-N 2.94Å; W220-A222 VanDerWaalsContact C-N 3.26Å; W220-A222 PolarHBondContact O-N 2.99Å
221	A	73.7	Confident	72	Confident	81 Å²	81	121.8 Å²	121.8	67%	0.669	65%	0.652	S	S	*	*	H	α-helix	trans	-73.9	-15.9	-179.7	0	0	0	0	0	113.9	L217 E218	L217-A221 PolarHBondContact O-N 3.27Å; E218-A221 PolarHBondContact O-N 2.97Å
222	A	69.3	Low	72.9	Confident	86 Å²	86	121.6 Å²	121.6	71%	0.711	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	6.5	-175.4	0	0	0	0	0	114.8	E218 W220	E218-A222 PolarHBondContact O-N 3.46Å; W220-A222 VanDerWaalsContact C-N 3.26Å; W220-A222 PolarHBondContact O-N 2.99Å
223	N	48.4	Very low	73.5	Confident	211 Å²	211	123.5 Å²	123.5	100%	1.128	67%	0.669	S	S	*	*			trans	-125.5	0	-176.8	-144.8	25.5	0	0	0	112.8

Retrieved 223 of 223 residues in 1340.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).