A0A060XWV4_ONCMY Loading...

Dynactin 3 (p22)

AlphaFold DB , UniProt , Accession A0A060XWV4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene dctn3, Length 187 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	53.9	Low	74.7	Confident	207 Å²	207	127.4 Å²	127.4	100%	1.02	62%	0.624	S	S	*	*				0	-16.4	0	-79.2	-164	174.7	0	0	111.6	R3 K4	M1-R3 PolarHBondContact O-N 3.04Å; M1-K4 PolarHBondContact O-N 3.08Å
2	D	61.1	Low	75.5	Confident	122 Å²	122	123 Å²	123	65%	0.652	61%	0.61	S	S	*	*	H	α-helix	trans	-62.6	-38.5	-175.3	-51.6	-63	0	0	0	115.1	K4 V5 E6	D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 3.37Å; D2-V5 PolarHBondContact O-N 3.04Å; D2-V5 VanDerWaalsContact O-N 3.17Å; D2-E6 WeakPolarHBondContact O-CG 3.3Å; D2-E6 PolarHBondContact O-N 3.47Å
3	R	66.1	Low	76.2	Confident	213 Å²	213	125 Å²	125	80%	0.804	61%	0.607	S	S	*	*	H	α-helix	trans	-62.4	-29.8	178	-83	-174.5	-169.7	169.8	4.3	114.3	M1 V7	M1-R3 PolarHBondContact O-N 3.04Å; R3-V7 WeakPolarHBondContact O-CG2 3.45Å; R3-V7 PolarHBondContact O-N 3.17Å
4	K	71.7	Confident	76.7	Confident	164 Å²	164	123 Å²	123	71%	0.713	60%	0.599	S	S	*	*	H	α-helix	trans	-73.2	-41.4	176.7	-74.8	-171.3	174.6	-173.4	0	110.5	M1 D2 E6 V7 D8	M1-K4 PolarHBondContact O-N 3.08Å; D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 3.37Å; K4-E6 VanDerWaalsContact C-N 3.34Å; K4-E6 PolarHBondContact O-N 3.27Å; K4-V7 PolarHBondContact O-N 3.25Å; K4-D8 WeakPolarHBondContact O-CB 3.39Å; K4-D8 PolarHBondContact O-N 2.7Å
5	V	76.2	Confident	77	Confident	94 Å²	94	122.1 Å²	122.1	57%	0.57	59%	0.593	S	S	*	*	H	α-helix	trans	-64.4	-38.3	176.6	-179	0	0	0	0	111.8	D2 N9	D2-V5 PolarHBondContact O-N 3.04Å; D2-V5 VanDerWaalsContact O-N 3.17Å; V5-N9 VanDerWaalsContact O-CB 3.28Å; V5-N9 WeakPolarHBondContact O-CB 3.44Å; V5-N9 PolarHBondContact O-N 2.91Å
6	E	77.2	Confident	77.4	Confident	123 Å²	123	119.2 Å²	119.2	58%	0.575	59%	0.586	S	S	*	*	H	α-helix	trans	-64.7	-41.2	174.4	-73.7	176.1	169.1	0	0	112.4	D2 K4 L10	D2-E6 WeakPolarHBondContact O-CG 3.3Å; D2-E6 PolarHBondContact O-N 3.47Å; K4-E6 VanDerWaalsContact C-N 3.34Å; K4-E6 PolarHBondContact O-N 3.27Å; E6-L10 WeakPolarHBondContact O-CB 3.3Å; E6-L10 VanDerWaalsContact O-CG 3.28Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 3.17Å
7	V	82.4	Confident	77.6	Confident	84 Å²	84	117.8 Å²	117.8	51%	0.509	58%	0.58	S	S	.	*	H	α-helix	trans	-68.3	-44.3	177.5	172.1	0	0	0	0	110.9	R3 K4 N9 L10 E11	R3-V7 WeakPolarHBondContact O-CG2 3.45Å; R3-V7 PolarHBondContact O-N 3.17Å; K4-V7 PolarHBondContact O-N 3.25Å; V7-N9 VanDerWaalsContact C-N 3.31Å; V7-N9 PolarHBondContact O-N 3.29Å; V7-L10 PolarHBondContact O-N 2.86Å; V7-L10 VanDerWaalsContact O-N 3.15Å; V7-E11 WeakPolarHBondContact O-CB 3.49Å; V7-E11 PolarHBondContact O-N 3.05Å
8	D	81.3	Confident	77.7	Confident	92 Å²	92	116.1 Å²	116.1	49%	0.492	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-36.3	178	-63.3	-16.7	0	0	0	111.5	K4 E11 T12	K4-D8 WeakPolarHBondContact O-CB 3.39Å; K4-D8 PolarHBondContact O-N 2.7Å; D8-E11 PolarHBondContact O-N 3.09Å; D8-T12 WeakPolarHBondContact O-CG2 3.35Å; D8-T12 PolarHBondContact O-N 3.31Å; D8-T12 PolarHBondContact O-OG1 3.44Å
9	N	84.6	Confident	77.8	Confident	90 Å²	90	113.5 Å²	113.5	48%	0.481	57%	0.566	S	S	.	*	H	α-helix	trans	-69.1	-38.6	174.2	-168.5	-9.9	0	0	0	111.8	V5 V7 E11 T12 R13	V5-N9 VanDerWaalsContact O-CB 3.28Å; V5-N9 WeakPolarHBondContact O-CB 3.44Å; V5-N9 PolarHBondContact O-N 2.91Å; V7-N9 VanDerWaalsContact C-N 3.31Å; V7-N9 PolarHBondContact O-N 3.29Å; N9-E11 VanDerWaalsContact C-N 3.34Å; N9-T12 WeakPolarHBondContact CA-OG1 3.38Å; N9-T12 PolarHBondContact O-OG1 3.05Å; N9-R13 WeakPolarHBondContact O-CB 3.47Å; N9-R13 VanDerWaalsContact O-CG 3.22Å; N9-R13 WeakPolarHBondContact O-CG 3.35Å; N9-R13 PolarHBondContact O-N 2.93Å
10	L	82.9	Confident	77.6	Confident	100 Å²	100	118.6 Å²	118.6	52%	0.524	58%	0.578	S	S	.	*	H	α-helix	trans	-67	-37.2	174.2	-74.3	170	0	0	0	111.9	E6 V7 R13 L14	E6-L10 WeakPolarHBondContact O-CB 3.3Å; E6-L10 VanDerWaalsContact O-CG 3.28Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 3.17Å; V7-L10 PolarHBondContact O-N 2.86Å; V7-L10 VanDerWaalsContact O-N 3.15Å; L10-R13 PolarHBondContact O-N 3.31Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 PolarHBondContact O-N 3.4Å
11	E	84.6	Confident	77.4	Confident	112 Å²	112	117 Å²	117	52%	0.523	57%	0.571	S	S	.	*	H	α-helix	trans	-68.1	-45.4	179.2	-164.9	160.6	-157	0	0	111.4	V7 D8 N9 R13 L14 E15	V7-E11 WeakPolarHBondContact O-CB 3.49Å; V7-E11 PolarHBondContact O-N 3.05Å; D8-E11 PolarHBondContact O-N 3.09Å; N9-E11 VanDerWaalsContact C-N 3.34Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 3.18Å; E11-L14 WeakPolarHBondContact O-CB 3.36Å; E11-L14 PolarHBondContact O-N 2.88Å; E11-L14 VanDerWaalsContact O-N 3.13Å; E11-E15 WeakPolarHBondContact O-CG 3.35Å; E11-E15 PolarHBondContact O-N 3.14Å
12	T	83.8	Confident	78.1	Confident	75 Å²	75	111.5 Å²	111.5	46%	0.46	54%	0.539	S	S	.	.	H	α-helix	trans	-62.9	-37.7	173.5	52	0	0	0	0	112.7	D8 N9 E15 T16	D8-T12 WeakPolarHBondContact O-CG2 3.35Å; D8-T12 PolarHBondContact O-N 3.31Å; D8-T12 PolarHBondContact O-OG1 3.44Å; N9-T12 WeakPolarHBondContact CA-OG1 3.38Å; N9-T12 PolarHBondContact O-OG1 3.05Å; T12-E15 PolarHBondContact O-N 3.4Å; T12-T16 WeakPolarHBondContact O-CG2 3.36Å; T12-T16 PolarHBondContact O-N 2.97Å; T12-T16 PolarHBondContact O-OG1 2.77Å; T12-T16 VanDerWaalsContact O-OG1 3.05Å
13	R	85.3	Confident	78.4	Confident	149 Å²	149	107.4 Å²	107.4	56%	0.562	53%	0.527	S	S	*	.	H	α-helix	trans	-67.1	-36.8	172.9	-74	176.9	67.7	-170	1	112.4	N9 L10 E11 T16 L17	N9-R13 WeakPolarHBondContact O-CB 3.47Å; N9-R13 VanDerWaalsContact O-CG 3.22Å; N9-R13 WeakPolarHBondContact O-CG 3.35Å; N9-R13 PolarHBondContact O-N 2.93Å; L10-R13 PolarHBondContact O-N 3.31Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 3.18Å; R13-T16 WeakPolarHBondContact CA-OG1 3.42Å; R13-T16 PolarHBondContact O-OG1 3.27Å; R13-L17 WeakPolarHBondContact O-CB 3.48Å; R13-L17 VanDerWaalsContact O-CG 3.28Å; R13-L17 WeakPolarHBondContact O-CG 3.46Å; R13-L17 PolarHBondContact O-N 2.89Å
14	L	82.8	Confident	78	Confident	97 Å²	97	107.3 Å²	107.3	51%	0.508	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-46.8	173.9	-95.8	162	0	0	0	111.1	L10 E11 T16 L17 E18	L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 PolarHBondContact O-N 3.4Å; E11-L14 WeakPolarHBondContact O-CB 3.36Å; E11-L14 PolarHBondContact O-N 2.88Å; E11-L14 VanDerWaalsContact O-N 3.13Å; L14-T16 VanDerWaalsContact C-N 3.32Å; L14-T16 PolarHBondContact O-N 2.84Å; L14-L17 PolarHBondContact O-N 3.45Å; L14-L17 VanDerWaalsContact O-N 3.11Å; L14-E18 WeakPolarHBondContact O-CB 3.12Å; L14-E18 WeakPolarHBondContact O-CG 3.41Å; L14-E18 PolarHBondContact O-N 3.44Å
15	E	82.1	Confident	77.3	Confident	109 Å²	109	109.7 Å²	109.7	51%	0.509	54%	0.54	S	S	.	.	H	α-helix	trans	-61.2	-39.4	177.8	-73.4	-171.7	151.9	0	0	112.5	E11 T12 S19	E11-E15 WeakPolarHBondContact O-CG 3.35Å; E11-E15 PolarHBondContact O-N 3.14Å; T12-E15 PolarHBondContact O-N 3.4Å; E15-S19 VanDerWaalsContact O-CB 3.28Å; E15-S19 WeakPolarHBondContact O-CB 3.45Å; E15-S19 PolarHBondContact O-N 3.15Å; E15-S19 PolarHBondContact O-OG 3.33Å
16	T	83.3	Confident	76.4	Confident	76 Å²	76	114.1 Å²	114.1	47%	0.466	55%	0.546	S	S	.	.	H	α-helix	trans	-68.2	-33.7	175.1	53.1	0	0	0	0	112.8	T12 R13 L14 S19 R20	T12-T16 WeakPolarHBondContact O-CG2 3.36Å; T12-T16 PolarHBondContact O-N 2.97Å; T12-T16 PolarHBondContact O-OG1 2.77Å; T12-T16 VanDerWaalsContact O-OG1 3.05Å; R13-T16 WeakPolarHBondContact CA-OG1 3.42Å; R13-T16 PolarHBondContact O-OG1 3.27Å; L14-T16 VanDerWaalsContact C-N 3.32Å; L14-T16 PolarHBondContact O-N 2.84Å; T16-S19 WeakPolarHBondContact CA-OG 3.42Å; T16-S19 PolarHBondContact O-OG 3.46Å; T16-R20 WeakPolarHBondContact O-CB 3.35Å; T16-R20 WeakPolarHBondContact O-CG 3.33Å; T16-R20 PolarHBondContact O-N 3.43Å
17	L	80	Confident	75.2	Confident	95 Å²	95	112.4 Å²	112.4	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-73.1	-43.1	174	-74	171.4	0	0	0	112	R13 L14 R20 I21	R13-L17 WeakPolarHBondContact O-CB 3.48Å; R13-L17 VanDerWaalsContact O-CG 3.28Å; R13-L17 WeakPolarHBondContact O-CG 3.46Å; R13-L17 PolarHBondContact O-N 2.89Å; L14-L17 PolarHBondContact O-N 3.45Å; L14-L17 VanDerWaalsContact O-N 3.11Å; L17-R20 PolarHBondContact O-N 3.36Å; L17-I21 WeakPolarHBondContact O-CG1 3.47Å; L17-I21 PolarHBondContact O-N 2.97Å
18	E	79.4	Confident	73.9	Confident	88 Å²	88	119.2 Å²	119.2	41%	0.411	56%	0.564	S	S	.	*	H	α-helix	trans	-63.7	-43.4	177.9	-74.9	-175.6	175.3	0	0	111.6	L14 R20 I21 Y22	L14-E18 WeakPolarHBondContact O-CB 3.12Å; L14-E18 WeakPolarHBondContact O-CG 3.41Å; L14-E18 PolarHBondContact O-N 3.44Å; E18-R20 VanDerWaalsContact C-N 3.34Å; E18-R20 PolarHBondContact O-N 2.99Å; E18-I21 PolarHBondContact O-N 2.87Å; E18-Y22 WeakPolarHBondContact O-CB 3.28Å; E18-Y22 PolarHBondContact O-N 2.89Å
19	S	78.9	Confident	72.6	Confident	67 Å²	67	117 Å²	117	47%	0.469	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-35.2	174.7	56.5	0	0	0	0	112.6	E15 T16 G23	E15-S19 VanDerWaalsContact O-CB 3.28Å; E15-S19 WeakPolarHBondContact O-CB 3.45Å; E15-S19 PolarHBondContact O-N 3.15Å; E15-S19 PolarHBondContact O-OG 3.33Å; T16-S19 WeakPolarHBondContact CA-OG 3.42Å; T16-S19 PolarHBondContact O-OG 3.46Å; S19-G23 WeakPolarHBondContact O-CA 3.47Å; S19-G23 PolarHBondContact O-N 3.29Å
20	R	75.4	Confident	71.2	Confident	215 Å²	215	116.7 Å²	116.7	81%	0.811	58%	0.581	S	S	*	*	H	α-helix	trans	-70.5	-35.6	174.3	-79.6	-179.4	-178.3	-172.6	2.4	113.5	T16 L17 E18	T16-R20 WeakPolarHBondContact O-CB 3.35Å; T16-R20 WeakPolarHBondContact O-CG 3.33Å; T16-R20 PolarHBondContact O-N 3.43Å; L17-R20 PolarHBondContact O-N 3.36Å; E18-R20 VanDerWaalsContact C-N 3.34Å; E18-R20 PolarHBondContact O-N 2.99Å
21	I	73	Confident	70	Confident	84 Å²	84	120.2 Å²	120.2	43%	0.431	59%	0.592	S	S	.	*	H	α-helix	trans	-81.8	-47.6	-177.3	-68	170.8	0	0	0	111.3	L17 E18	L17-I21 WeakPolarHBondContact O-CG1 3.47Å; L17-I21 PolarHBondContact O-N 2.97Å; E18-I21 PolarHBondContact O-N 2.87Å
22	Y	68.5	Low	68.8	Low	92 Å²	92	119.6 Å²	119.6	36%	0.361	60%	0.598	S	S	.	*	H	α-helix	trans	-96.9	-11.5	-174.9	-66.2	-77.7	0	0	0	113.3	E18 R25 M33	E18-Y22 WeakPolarHBondContact O-CB 3.28Å; E18-Y22 PolarHBondContact O-N 2.89Å; Y22-R25 CarbonylContact O-C 3.48Å; Y22-R25 VanDerWaalsContact O-O 3.06Å; Y22-M33 HydrophobicContact CD1-CB 4.33Å; Y22-M33 HydrophobicContact CE1-CB 3.96Å
23	G	67.6	Low	67.7	Low	37 Å²	37	120.9 Å²	120.9	38%	0.381	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	63.2	-165.7	-175.7	0	0	0	0	0	112.6	S19 R25	S19-G23 WeakPolarHBondContact O-CA 3.47Å; S19-G23 PolarHBondContact O-N 3.29Å; G23-R25 PolarHBondContact O-N 3.39Å; G23-R25 VanDerWaalsContact O-N 3.11Å
24	E	56.9	Low	66.9	Low	211 Å²	211	120.4 Å²	120.4	99%	0.986	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-9.1	172	-123.6	172.5	-171.3	0	0	113.3	R26	E24-R26 PolarHBondContact O-N 3.35Å
25	R	57.7	Low	66.3	Low	213 Å²	213	117.9 Å²	117.9	80%	0.804	59%	0.592	S	S	*	*			trans	-95.9	75.8	173.8	-69.8	-176.2	-176.2	179.9	2	109.4	Y22 G23 N27	Y22-R25 CarbonylContact O-C 3.48Å; Y22-R25 VanDerWaalsContact O-O 3.06Å; G23-R25 PolarHBondContact O-N 3.39Å; G23-R25 VanDerWaalsContact O-N 3.11Å; R25-N27 VanDerWaalsContact C-N 3.35Å; R25-N27 PolarHBondContact O-N 3.04Å
26	R	56.3	Low	65.9	Low	188 Å²	188	116.1 Å²	116.1	71%	0.709	60%	0.596	S	S	*	*			trans	-52.1	104.9	158.1	-84.6	-176.6	170.1	173.3	-2.1	107.5	E24 K28	E24-R26 PolarHBondContact O-N 3.35Å; R26-K28 PolarHBondContact O-N 3.03Å
27	N	53.3	Low	65.7	Low	87 Å²	87	116 Å²	116	47%	0.465	59%	0.593	S	S	.	*			trans	-52	105.3	-175.4	-106.2	-14.9	0	0	0	109.5	R25 G29 K31	R25-N27 VanDerWaalsContact C-N 3.35Å; R25-N27 PolarHBondContact O-N 3.04Å; N27-G29 PolarHBondContact O-N 3.47Å; N27-K31 PolarHBondContact ND2-O 2.89Å
28	K	54.6	Low	65.6	Low	226 Å²	226	113.8 Å²	113.8	98%	0.983	59%	0.585	S	S	*	*	S	Bend	trans	-69.5	6.3	173.8	-72.9	-173.3	175.6	-179.3	0	113.6	R26	R26-K28 PolarHBondContact O-N 3.03Å
29	G	54.7	Low	65.6	Low	45 Å²	45	114.9 Å²	114.9	46%	0.464	59%	0.593	S	S	.	*	S	Bend	trans	-137.3	118.4	168.2	0	0	0	0	0	107.8	N27 K31	N27-G29 PolarHBondContact O-N 3.47Å; G29-K31 PolarHBondContact O-N 3.27Å
30	G	54.2	Low	65.7	Low	85 Å²	85	114.6 Å²	114.6	88%	0.876	59%	0.591	S	S	*	*			trans	-64.2	51.2	-170.3	0	0	0	0	0	116.3
31	K	57.9	Low	66	Low	173 Å²	173	112.6 Å²	112.6	75%	0.752	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-90.7	118.2	166.8	-70.8	-178.6	-179.1	177.3	0	107.7	N27 G29 M33	N27-K31 PolarHBondContact ND2-O 2.89Å; G29-K31 PolarHBondContact O-N 3.27Å; K31-M33 PolarHBondContact O-N 3.44Å
32	P	59.3	Low	66.5	Low	100 Å²	100	113 Å²	113	65%	0.649	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-59.4	130.7	174.5	24.3	-31.9	0	0	0	108.4	K34	P32-K34 PolarHBondContact O-N 3.34Å; P32-K34 VanDerWaalsContact O-N 3.1Å
33	M	61.6	Low	67.1	Low	101 Å²	101	114.7 Å²	114.7	50%	0.498	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-65	116.2	176.4	-167.6	174.6	171.8	0	0	107.2	Y22 K31 C35	Y22-M33 HydrophobicContact CD1-CB 4.33Å; Y22-M33 HydrophobicContact CE1-CB 3.96Å; K31-M33 PolarHBondContact O-N 3.44Å; M33-C35 WeakPolarHBondContact CG-SG 3.39Å; M33-C35 PolarHBondContact O-N 2.89Å; M33-C35 VanDerWaalsContact SD-SG 3.61Å
34	K	68.4	Low	67.8	Low	139 Å²	139	115.3 Å²	115.3	60%	0.604	60%	0.602	S	S	*	*			trans	-77.3	57.7	179.9	-65.9	177	157.5	-146.3	0	110.4	P32 A36 D37 S38	P32-K34 PolarHBondContact O-N 3.34Å; P32-K34 VanDerWaalsContact O-N 3.1Å; K34-A36 PolarHBondContact O-N 3.5Å; K34-D37 HydrophobicContact CB-CB 4Å; K34-D37 WeakPolarHBondContact CD-OD2 3.49Å; K34-D37 IonicContact NZ-OD2 2.65Å; K34-D37 PolarHBondContact O-N 3.35Å; K34-S38 PolarHBondContact O-N 3.38Å; K34-S38 PolarHBondContact O-OG 3.31Å
35	C	68.7	Low	68.9	Low	45 Å²	45	107.8 Å²	107.8	30%	0.304	58%	0.576	S	S	.	*	H	α-helix	trans	-55.6	-38.4	-178.2	-65.3	0	0	0	0	111.3	M33 S38 L39	M33-C35 WeakPolarHBondContact CG-SG 3.39Å; M33-C35 PolarHBondContact O-N 2.89Å; M33-C35 VanDerWaalsContact SD-SG 3.61Å; C35-S38 VanDerWaalsContact CA-OG 3.3Å; C35-S38 WeakPolarHBondContact CA-OG 3.32Å; C35-S38 PolarHBondContact O-N 3.47Å; C35-S38 PolarHBondContact O-OG 2.9Å; C35-L39 WeakPolarHBondContact O-CB 3.46Å; C35-L39 PolarHBondContact O-N 2.94Å
36	A	74.8	Confident	69.8	Low	72 Å²	72	101.9 Å²	101.9	60%	0.595	56%	0.56	S	S	*	*	H	α-helix	trans	-63.1	-43.8	176	0	0	0	0	0	112.6	K34 L39 S40	K34-A36 PolarHBondContact O-N 3.5Å; A36-L39 PolarHBondContact O-N 3.49Å; A36-S40 VanDerWaalsContact O-CB 3.28Å; A36-S40 WeakPolarHBondContact O-CB 3.5Å; A36-S40 PolarHBondContact O-N 2.9Å; A36-S40 PolarHBondContact O-OG 2.94Å
37	D	78.3	Confident	70.6	Confident	74 Å²	74	95 Å²	95	40%	0.396	54%	0.544	S	S	.	.	H	α-helix	trans	-73.7	-30.8	179.6	-64.7	-18.9	0	0	0	112.5	K34 S40 R41	K34-D37 HydrophobicContact CB-CB 4Å; K34-D37 WeakPolarHBondContact CD-OD2 3.49Å; K34-D37 IonicContact NZ-OD2 2.65Å; K34-D37 PolarHBondContact O-N 3.35Å; D37-S40 WeakPolarHBondContact CA-OG 3.29Å; D37-S40 PolarHBondContact O-OG 3.18Å; D37-S40 VanDerWaalsContact O-OG 3.13Å; D37-R41 WeakPolarHBondContact O-CB 3.47Å; D37-R41 WeakPolarHBondContact O-CG 3.24Å; D37-R41 PolarHBondContact O-N 2.88Å; D37-R41 PolarHBondContact O-NE 2.95Å
38	S	77.4	Confident	71.8	Confident	48 Å²	48	95.6 Å²	95.6	34%	0.336	55%	0.547	S	S	.	.	H	α-helix	trans	-73.3	-41.7	171.9	49.6	0	0	0	0	111.3	K34 C35 R41 V42	K34-S38 PolarHBondContact O-N 3.38Å; K34-S38 PolarHBondContact O-OG 3.31Å; C35-S38 VanDerWaalsContact CA-OG 3.3Å; C35-S38 WeakPolarHBondContact CA-OG 3.32Å; C35-S38 PolarHBondContact O-N 3.47Å; C35-S38 PolarHBondContact O-OG 2.9Å; S38-R41 PolarHBondContact O-N 2.89Å; S38-V42 VanDerWaalsContact O-CG2 3.29Å; S38-V42 WeakPolarHBondContact O-CG2 3.48Å; S38-V42 PolarHBondContact O-N 2.86Å
39	L	79.5	Confident	72.7	Confident	110 Å²	110	88.7 Å²	88.7	58%	0.576	52%	0.524	S	S	*	.	H	α-helix	trans	-66.1	-43.4	178.5	-176.7	64.1	0	0	0	110.9	C35 A36 R41 V42 Q43	C35-L39 WeakPolarHBondContact O-CB 3.46Å; C35-L39 PolarHBondContact O-N 2.94Å; A36-L39 PolarHBondContact O-N 3.49Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.21Å; L39-V42 PolarHBondContact O-N 3.48Å; L39-Q43 VanDerWaalsContact O-CB 3.27Å; L39-Q43 WeakPolarHBondContact O-CB 3.37Å; L39-Q43 PolarHBondContact O-N 3.44Å
40	S	81.4	Confident	73.3	Confident	62 Å²	62	86.9 Å²	86.9	43%	0.434	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-38.9	175.9	68.4	0	0	0	0	111.9	A36 D37 Q43 A44	A36-S40 VanDerWaalsContact O-CB 3.28Å; A36-S40 WeakPolarHBondContact O-CB 3.5Å; A36-S40 PolarHBondContact O-N 2.9Å; A36-S40 PolarHBondContact O-OG 2.94Å; D37-S40 WeakPolarHBondContact CA-OG 3.29Å; D37-S40 PolarHBondContact O-OG 3.18Å; D37-S40 VanDerWaalsContact O-OG 3.13Å; S40-Q43 PolarHBondContact O-N 3.46Å; S40-A44 VanDerWaalsContact O-CB 3.3Å; S40-A44 WeakPolarHBondContact O-CB 3.28Å; S40-A44 PolarHBondContact O-N 3.14Å
41	R	83.1	Confident	74	Confident	172 Å²	172	87 Å²	87	65%	0.649	49%	0.485	S	S	*	.	H	α-helix	trans	-64.7	-44.3	173	-83.6	-175.7	-75.2	174	-4.4	112.7	D37 S38 L39 A44 A45	D37-R41 WeakPolarHBondContact O-CB 3.47Å; D37-R41 WeakPolarHBondContact O-CG 3.24Å; D37-R41 PolarHBondContact O-N 2.88Å; D37-R41 PolarHBondContact O-NE 2.95Å; S38-R41 PolarHBondContact O-N 2.89Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.21Å; R41-A44 PolarHBondContact O-N 3.22Å; R41-A45 WeakPolarHBondContact O-CB 3.3Å; R41-A45 PolarHBondContact O-N 2.89Å
42	V	81.9	Confident	74.9	Confident	92 Å²	92	87.5 Å²	87.5	56%	0.558	49%	0.487	S	S	*	.	H	α-helix	trans	-64.5	-43.2	176.6	171	0	0	0	0	110.4	S38 L39 A45 L46	S38-V42 VanDerWaalsContact O-CG2 3.29Å; S38-V42 WeakPolarHBondContact O-CG2 3.48Å; S38-V42 PolarHBondContact O-N 2.86Å; L39-V42 PolarHBondContact O-N 3.48Å; V42-A45 PolarHBondContact O-N 3Å; V42-L46 VanDerWaalsContact O-CB 3.24Å; V42-L46 WeakPolarHBondContact O-CB 3.42Å; V42-L46 PolarHBondContact O-N 3.2Å
43	Q	80.8	Confident	75.6	Confident	129 Å²	129	91.2 Å²	91.2	60%	0.603	49%	0.488	S	S	*	.	H	α-helix	trans	-64	-41.6	177.1	-175.2	164.6	-4.2	0	0	111.8	L39 S40 L46 A47	L39-Q43 VanDerWaalsContact O-CB 3.27Å; L39-Q43 WeakPolarHBondContact O-CB 3.37Å; L39-Q43 PolarHBondContact O-N 3.44Å; S40-Q43 PolarHBondContact O-N 3.46Å; Q43-L46 PolarHBondContact O-N 2.96Å; Q43-A47 VanDerWaalsContact O-CB 3.23Å; Q43-A47 WeakPolarHBondContact O-CB 3.4Å; Q43-A47 PolarHBondContact O-N 3.24Å
44	A	82.7	Confident	76.1	Confident	49 Å²	49	91.8 Å²	91.8	41%	0.405	49%	0.49	S	S	.	.	H	α-helix	trans	-64.8	-42.3	174.4	0	0	0	0	0	112	S40 R41 A47 N48	S40-A44 VanDerWaalsContact O-CB 3.3Å; S40-A44 WeakPolarHBondContact O-CB 3.28Å; S40-A44 PolarHBondContact O-N 3.14Å; R41-A44 PolarHBondContact O-N 3.22Å; A44-A47 PolarHBondContact O-N 3.45Å; A44-N48 VanDerWaalsContact O-CB 3.28Å; A44-N48 WeakPolarHBondContact O-CB 3.27Å; A44-N48 PolarHBondContact O-N 3.4Å; A44-N48 PolarHBondContact O-ND2 3.42Å; A44-N48 VanDerWaalsContact O-ND2 3.14Å
45	A	80.4	Confident	76.2	Confident	54 Å²	54	95.2 Å²	95.2	45%	0.446	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-40.1	175.4	0	0	0	0	0	111.9	R41 V42 T49	R41-A45 WeakPolarHBondContact O-CB 3.3Å; R41-A45 PolarHBondContact O-N 2.89Å; V42-A45 PolarHBondContact O-N 3Å; A45-T49 WeakPolarHBondContact O-CB 3.3Å; A45-T49 PolarHBondContact O-N 3Å; A45-T49 PolarHBondContact O-OG1 2.9Å
46	L	76.1	Confident	76.5	Confident	88 Å²	88	95.8 Å²	95.8	46%	0.461	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-44.7	177	-171.1	67.5	0	0	0	111.1	V42 Q43 N48 T49 A50	V42-L46 VanDerWaalsContact O-CB 3.24Å; V42-L46 WeakPolarHBondContact O-CB 3.42Å; V42-L46 PolarHBondContact O-N 3.2Å; Q43-L46 PolarHBondContact O-N 2.96Å; L46-N48 PolarHBondContact O-N 2.92Å; L46-T49 PolarHBondContact O-N 2.99Å; L46-A50 VanDerWaalsContact O-CB 3.23Å; L46-A50 WeakPolarHBondContact O-CB 3.29Å; L46-A50 PolarHBondContact O-N 3.47Å
47	A	74.8	Confident	76.4	Confident	44 Å²	44	95.5 Å²	95.5	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-42.2	175.7	0	0	0	0	0	111.8	Q43 A44 T49 A50 N51	Q43-A47 VanDerWaalsContact O-CB 3.23Å; Q43-A47 WeakPolarHBondContact O-CB 3.4Å; Q43-A47 PolarHBondContact O-N 3.24Å; A44-A47 PolarHBondContact O-N 3.45Å; A47-T49 VanDerWaalsContact C-N 3.35Å; A47-T49 PolarHBondContact O-N 2.95Å; A47-A50 PolarHBondContact O-N 2.91Å; A47-N51 VanDerWaalsContact O-CB 3.28Å; A47-N51 WeakPolarHBondContact O-CB 3.32Å; A47-N51 VanDerWaalsContact O-CG 3.28Å; A47-N51 PolarHBondContact O-N 3.26Å; A47-N51 PolarHBondContact O-ND2 3.41Å
48	N	78	Confident	76.3	Confident	100 Å²	100	96 Å²	96	54%	0.535	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-38.3	175	-75.3	-27.2	0	0	0	112.2	A44 L46 K52	A44-N48 VanDerWaalsContact O-CB 3.28Å; A44-N48 WeakPolarHBondContact O-CB 3.27Å; A44-N48 PolarHBondContact O-N 3.4Å; A44-N48 PolarHBondContact O-ND2 3.42Å; A44-N48 VanDerWaalsContact O-ND2 3.14Å; L46-N48 PolarHBondContact O-N 2.92Å; N48-K52 WeakPolarHBondContact O-CG 3.3Å; N48-K52 PolarHBondContact O-N 3.29Å
49	T	72.8	Confident	76.2	Confident	80 Å²	80	98.4 Å²	98.4	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-71.8	-41.3	176.9	-57.7	0	0	0	0	111.8	A45 L46 A47 K52 R53	A45-T49 WeakPolarHBondContact O-CB 3.3Å; A45-T49 PolarHBondContact O-N 3Å; A45-T49 PolarHBondContact O-OG1 2.9Å; L46-T49 PolarHBondContact O-N 2.99Å; A47-T49 VanDerWaalsContact C-N 3.35Å; A47-T49 PolarHBondContact O-N 2.95Å; T49-K52 PolarHBondContact O-N 3.4Å; T49-R53 PolarHBondContact O-N 3.24Å
50	A	67.1	Low	75.8	Confident	8 Å²	8	98 Å²	98	7%	0.066	49%	0.492	C	S	.	.	H	α-helix	trans	-65	-43	176.9	0	0	0	0	0	111.1	L46 A47 K52 R53 V56	L46-A50 VanDerWaalsContact O-CB 3.23Å; L46-A50 WeakPolarHBondContact O-CB 3.29Å; L46-A50 PolarHBondContact O-N 3.47Å; A47-A50 PolarHBondContact O-N 2.91Å; A50-K52 VanDerWaalsContact C-N 3.29Å; A50-K52 PolarHBondContact O-N 3.26Å; A50-R53 CarbonylContact O-C 3.31Å; A50-R53 VanDerWaalsContact O-C 3.31Å; A50-R53 PolarHBondContact O-N 3.47Å; A50-R53 VanDerWaalsContact O-N 3.12Å; A50-V56 HydrophobicContact CB-CG1 4.08Å
51	N	70.1	Confident	75.7	Confident	88 Å²	88	102 Å²	102	47%	0.471	50%	0.501	S	S	.	.	H	α-helix	trans	-67.4	-25.2	178.5	-76.9	-27.8	0	0	0	113.8	A47 R53 K57	A47-N51 VanDerWaalsContact O-CB 3.28Å; A47-N51 WeakPolarHBondContact O-CB 3.32Å; A47-N51 VanDerWaalsContact O-CG 3.28Å; A47-N51 PolarHBondContact O-N 3.26Å; A47-N51 PolarHBondContact O-ND2 3.41Å; N51-R53 VanDerWaalsContact C-N 3.35Å; N51-K57 WeakPolarHBondContact OD1-CE 3.32Å
52	K	74.9	Confident	75.4	Confident	183 Å²	183	99.3 Å²	99.3	80%	0.796	49%	0.494	S	S	*	.	H	α-helix	trans	-78	-17.7	173.6	-73.6	176.7	-177.8	-176.4	0	113.4	N48 T49 A50	N48-K52 WeakPolarHBondContact O-CG 3.3Å; N48-K52 PolarHBondContact O-N 3.29Å; T49-K52 PolarHBondContact O-N 3.4Å; A50-K52 VanDerWaalsContact C-N 3.29Å; A50-K52 PolarHBondContact O-N 3.26Å
53	R	74.9	Confident	75.2	Confident	177 Å²	177	98.7 Å²	98.7	67%	0.668	49%	0.487	S	S	*	.			trans	-125	95.9	179.9	-70.4	-171.6	-177.6	-139.1	1.6	109.8	T49 A50 N51 R55 V56 K57	T49-R53 PolarHBondContact O-N 3.24Å; A50-R53 CarbonylContact O-C 3.31Å; A50-R53 VanDerWaalsContact O-C 3.31Å; A50-R53 PolarHBondContact O-N 3.47Å; A50-R53 VanDerWaalsContact O-N 3.12Å; N51-R53 VanDerWaalsContact C-N 3.35Å; R53-R55 PolarHBondContact O-N 2.98Å; R53-V56 HydrophobicContact CB-CB 4.01Å; R53-V56 HydrophobicContact CB-CG2 3.75Å; R53-V56 WeakPolarHBondContact O-CA 3.44Å; R53-V56 WeakPolarHBondContact O-CB 3.36Å; R53-V56 PolarHBondContact O-N 2.96Å; R53-K57 PolarHBondContact O-N 3.24Å
54	E	72.1	Confident	74.8	Confident	114 Å²	114	99.7 Å²	99.7	53%	0.533	49%	0.492	S	S	.	.	H	α-helix	trans	-49.3	-37.5	-179.1	-72.2	-60.5	137.8	0	0	113.6	V56 K57 I58	E54-V56 PolarHBondContact O-N 3.49Å; E54-K57 WeakPolarHBondContact O-CB 3.5Å; E54-K57 PolarHBondContact O-N 2.9Å; E54-K57 IonicContact OE1-NZ 2.8Å; E54-I58 WeakPolarHBondContact O-CD1 3.44Å; E54-I58 VanDerWaalsContact O-CG1 3.25Å; E54-I58 WeakPolarHBondContact O-CG1 3.44Å; E54-I58 PolarHBondContact O-N 3.35Å
55	R	71.4	Confident	74.4	Confident	211 Å²	211	101.7 Å²	101.7	80%	0.796	50%	0.495	S	S	*	.	H	α-helix	trans	-63.2	-37.7	175	-64.5	-173.6	72	175.6	2.5	113.5	R53 L59	R53-R55 PolarHBondContact O-N 2.98Å; R55-L59 WeakPolarHBondContact O-CB 3.46Å; R55-L59 VanDerWaalsContact O-CG 3.3Å; R55-L59 WeakPolarHBondContact O-CG 3.41Å; R55-L59 PolarHBondContact O-N 2.87Å
56	V	73.7	Confident	74	Confident	57 Å²	57	103.2 Å²	103.2	35%	0.345	50%	0.496	S	S	.	.	H	α-helix	trans	-73.3	-37.6	177.9	179.4	0	0	0	0	110.4	A50 R53 E54 L59 H60	A50-V56 HydrophobicContact CB-CG1 4.08Å; R53-V56 HydrophobicContact CB-CB 4.01Å; R53-V56 HydrophobicContact CB-CG2 3.75Å; R53-V56 WeakPolarHBondContact O-CA 3.44Å; R53-V56 WeakPolarHBondContact O-CB 3.36Å; R53-V56 PolarHBondContact O-N 2.96Å; E54-V56 PolarHBondContact O-N 3.49Å; V56-L59 PolarHBondContact O-N 3.44Å; V56-H60 WeakPolarHBondContact O-CB 3.44Å; V56-H60 PolarHBondContact O-N 3.41Å
57	K	72.6	Confident	74	Confident	65 Å²	65	104.6 Å²	104.6	28%	0.283	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-43.9	173.2	-168.3	-179.9	-178	-178.6	0	112.3	N51 R53 E54 H60 K61	N51-K57 WeakPolarHBondContact OD1-CE 3.32Å; R53-K57 PolarHBondContact O-N 3.24Å; E54-K57 WeakPolarHBondContact O-CB 3.5Å; E54-K57 PolarHBondContact O-N 2.9Å; E54-K57 IonicContact OE1-NZ 2.8Å; K57-H60 PolarHBondContact O-N 3.06Å; K57-K61 WeakPolarHBondContact O-CG 3.42Å; K57-K61 PolarHBondContact O-N 3.32Å; K57-K61 VanDerWaalsContact O-N 3.11Å
58	I	76.8	Confident	73.9	Confident	86 Å²	86	108.1 Å²	108.1	44%	0.441	51%	0.51	S	S	.	.	H	α-helix	trans	-64.5	-44.1	175.2	-67	162.9	0	0	0	110.3	E54 K61 K62	E54-I58 WeakPolarHBondContact O-CD1 3.44Å; E54-I58 VanDerWaalsContact O-CG1 3.25Å; E54-I58 WeakPolarHBondContact O-CG1 3.44Å; E54-I58 PolarHBondContact O-N 3.35Å; I58-K61 PolarHBondContact O-N 3.5Å; I58-K62 HydrophobicContact CG2-CD 4.11Å; I58-K62 HydrophobicContact CG2-CG 4.44Å; I58-K62 WeakPolarHBondContact O-CB 3.41Å; I58-K62 WeakPolarHBondContact O-CG 3.37Å; I58-K62 PolarHBondContact O-N 2.99Å
59	L	74.4	Confident	73.3	Confident	98 Å²	98	110.1 Å²	110.1	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175.7	-76.8	166.5	0	0	0	111.7	R55 V56 K61 K62 I63	R55-L59 WeakPolarHBondContact O-CB 3.46Å; R55-L59 VanDerWaalsContact O-CG 3.3Å; R55-L59 WeakPolarHBondContact O-CG 3.41Å; R55-L59 PolarHBondContact O-N 2.87Å; V56-L59 PolarHBondContact O-N 3.44Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.3Å; L59-K62 CarbonylContact O-C 3.42Å; L59-K62 PolarHBondContact O-N 3.35Å; L59-K62 VanDerWaalsContact O-N 3.07Å; L59-I63 VanDerWaalsContact O-CG1 3.24Å; L59-I63 WeakPolarHBondContact O-CG1 3.19Å; L59-I63 PolarHBondContact O-N 2.89Å
60	H	72.7	Confident	73	Confident	102 Å²	102	112.7 Å²	112.7	47%	0.472	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-38.4	180	-156.1	67	0	0	0	112.5	V56 K57 I63	V56-H60 WeakPolarHBondContact O-CB 3.44Å; V56-H60 PolarHBondContact O-N 3.41Å; K57-H60 PolarHBondContact O-N 3.06Å; H60-I63 PolarHBondContact O-N 3.46Å
61	K	77.7	Confident	73.2	Confident	144 Å²	144	115.7 Å²	115.7	63%	0.626	54%	0.536	S	S	*	.	H	α-helix	trans	-66.7	-41.6	171.2	-71.2	-176.5	175.3	-168.3	0	112.4	K57 I58 L59 I63	K57-K61 WeakPolarHBondContact O-CG 3.42Å; K57-K61 PolarHBondContact O-N 3.32Å; K57-K61 VanDerWaalsContact O-N 3.11Å; I58-K61 PolarHBondContact O-N 3.5Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.3Å; K61-I63 VanDerWaalsContact C-N 3.3Å; K61-I63 PolarHBondContact O-N 3.37Å
62	K	76.6	Confident	73	Confident	116 Å²	116	115.5 Å²	115.5	50%	0.504	54%	0.539	S	S	.	.	H	α-helix	trans	-75.3	-14.1	178.7	-73.3	-171.3	176.6	-166.3	0	113.7	I58 L59 E64 D65 L66	I58-K62 HydrophobicContact CG2-CD 4.11Å; I58-K62 HydrophobicContact CG2-CG 4.44Å; I58-K62 WeakPolarHBondContact O-CB 3.41Å; I58-K62 WeakPolarHBondContact O-CG 3.37Å; I58-K62 PolarHBondContact O-N 2.99Å; L59-K62 CarbonylContact O-C 3.42Å; L59-K62 PolarHBondContact O-N 3.35Å; L59-K62 VanDerWaalsContact O-N 3.07Å; K62-E64 VanDerWaalsContact C-N 3.34Å; K62-D65 PolarHBondContact O-N 3Å; K62-L66 HydrophobicContact CB-CD1 4.36Å; K62-L66 WeakPolarHBondContact O-CB 3.42Å; K62-L66 WeakPolarHBondContact O-CD1 3.28Å; K62-L66 WeakPolarHBondContact O-CG 3.32Å; K62-L66 PolarHBondContact O-N 2.72Å
63	I	77.9	Confident	72.5	Confident	80 Å²	80	113.4 Å²	113.4	41%	0.41	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-40.4	177.6	-80.6	166.3	0	0	0	110.1	L59 H60 K61 L66 L67	L59-I63 VanDerWaalsContact O-CG1 3.24Å; L59-I63 WeakPolarHBondContact O-CG1 3.19Å; L59-I63 PolarHBondContact O-N 2.89Å; H60-I63 PolarHBondContact O-N 3.46Å; K61-I63 VanDerWaalsContact C-N 3.3Å; K61-I63 PolarHBondContact O-N 3.37Å; I63-L66 PolarHBondContact O-N 2.88Å; I63-L67 HydrophobicContact CG2-CD1 3.87Å; I63-L67 HydrophobicContact CG2-CG 4.35Å; I63-L67 WeakPolarHBondContact O-CB 3.32Å; I63-L67 WeakPolarHBondContact O-CG 3.33Å; I63-L67 PolarHBondContact O-N 2.81Å
64	E	73.8	Confident	71.9	Confident	150 Å²	150	107.9 Å²	107.9	70%	0.701	51%	0.513	S	S	*	.	H	α-helix	trans	-63.8	-44.2	175.4	-68.9	180	-178.2	0	0	111.2	K62 L67 K68	K62-E64 VanDerWaalsContact C-N 3.34Å; E64-L67 PolarHBondContact O-N 3.49Å; E64-K68 PolarHBondContact O-N 2.84Å; E64-K68 VanDerWaalsContact O-N 3.1Å
65	D	72.6	Confident	71.3	Confident	90 Å²	90	105.3 Å²	105.3	48%	0.481	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-44.7	174.7	-69.2	-25.6	0	0	0	111.6	K62 L67 K68 Y69	K62-D65 PolarHBondContact O-N 3Å; D65-L67 PolarHBondContact O-N 3.35Å; D65-K68 WeakPolarHBondContact O-CA 3.46Å; D65-K68 VanDerWaalsContact O-CB 3.31Å; D65-K68 WeakPolarHBondContact O-CB 3.48Å; D65-K68 PolarHBondContact O-N 3.46Å; D65-K68 VanDerWaalsContact O-N 3.12Å; D65-Y69 HydrophobicContact CB-CD2 4.42Å; D65-Y69 HydrophobicContact CB-CE2 4.14Å; D65-Y69 WeakPolarHBondContact O-CD2 3.49Å; D65-Y69 PolarHBondContact O-N 2.98Å
66	L	73.8	Confident	70.8	Confident	86 Å²	86	100.4 Å²	100.4	45%	0.45	50%	0.495	S	S	.	.	H	α-helix	trans	-66.1	-36.3	179.2	-76	165.9	0	0	0	112	K62 I63 K68 Y69 L70	K62-L66 HydrophobicContact CB-CD1 4.36Å; K62-L66 WeakPolarHBondContact O-CB 3.42Å; K62-L66 WeakPolarHBondContact O-CD1 3.28Å; K62-L66 WeakPolarHBondContact O-CG 3.32Å; K62-L66 PolarHBondContact O-N 2.72Å; I63-L66 PolarHBondContact O-N 2.88Å; L66-K68 VanDerWaalsContact C-N 3.27Å; L66-K68 PolarHBondContact O-N 3.31Å; L66-Y69 PolarHBondContact O-N 3.43Å; L66-L70 WeakPolarHBondContact O-CB 3.25Å; L66-L70 VanDerWaalsContact O-CD1 3.26Å; L66-L70 WeakPolarHBondContact O-CD1 3.47Å; L66-L70 PolarHBondContact O-N 3.46Å
67	L	75.3	Confident	70.2	Confident	117 Å²	117	105.4 Å²	105.4	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-62.2	-38.3	172	-77.6	166.6	0	0	0	110.9	I63 E64 D65 L70 D71	I63-L67 HydrophobicContact CG2-CD1 3.87Å; I63-L67 HydrophobicContact CG2-CG 4.35Å; I63-L67 WeakPolarHBondContact O-CB 3.32Å; I63-L67 WeakPolarHBondContact O-CG 3.33Å; I63-L67 PolarHBondContact O-N 2.81Å; E64-L67 PolarHBondContact O-N 3.49Å; D65-L67 PolarHBondContact O-N 3.35Å; L67-L70 PolarHBondContact O-N 3.15Å; L67-D71 PolarHBondContact O-N 3.11Å
68	K	72	Confident	69.6	Low	118 Å²	118	107.7 Å²	107.7	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-67.1	-37.9	174	-172.2	179.3	179.9	-179.3	0	112.5	E64 D65 L66 F74	E64-K68 PolarHBondContact O-N 2.84Å; E64-K68 VanDerWaalsContact O-N 3.1Å; D65-K68 WeakPolarHBondContact O-CA 3.46Å; D65-K68 VanDerWaalsContact O-CB 3.31Å; D65-K68 WeakPolarHBondContact O-CB 3.48Å; D65-K68 PolarHBondContact O-N 3.46Å; D65-K68 VanDerWaalsContact O-N 3.12Å; L66-K68 VanDerWaalsContact C-N 3.27Å; L66-K68 PolarHBondContact O-N 3.31Å; K68-F74 VanDerWaalsContact CE-CE2 3.47Å; K68-F74 HydrophobicContact CG-CD1 4.38Å; K68-F74 HydrophobicContact CG-CD2 4.33Å; K68-F74 HydrophobicContact CG-CE1 4.49Å; K68-F74 HydrophobicContact CG-CE2 4.46Å; K68-F74 HydrophobicContact CG-CG 4.29Å; K68-F74 VanDerWaalsContact O-CB 3.28Å; K68-F74 WeakPolarHBondContact O-CB 3.34Å; K68-F74 WeakPolarHBondContact O-CD1 3.26Å; K68-F74 WeakPolarHBondContact O-CG 3.47Å
69	Y	66.4	Low	69.1	Low	142 Å²	142	107.5 Å²	107.5	56%	0.557	53%	0.532	S	S	*	.	H	α-helix	trans	-78	-21	176.2	-67.8	-66.7	0	0	0	113.9	D65 L66 F74	D65-Y69 HydrophobicContact CB-CD2 4.42Å; D65-Y69 HydrophobicContact CB-CE2 4.14Å; D65-Y69 WeakPolarHBondContact O-CD2 3.49Å; D65-Y69 PolarHBondContact O-N 2.98Å; L66-Y69 PolarHBondContact O-N 3.43Å; Y69-F74 HydrophobicContact CD1-CD1 4.01Å; Y69-F74 AromaticContact CD1-CE1 3.69Å; Y69-F74 HydrophobicContact CD1-CE1 3.69Å; Y69-F74 HydrophobicContact CE1-CD1 4.42Å; Y69-F74 AromaticContact CE1-CE1 3.65Å; Y69-F74 HydrophobicContact CE1-CE1 3.65Å
70	L	66.8	Low	68.7	Low	134 Å²	134	105.6 Å²	105.6	70%	0.702	52%	0.524	S	S	*	.	H	α-helix	trans	-84.3	-12.3	173.4	-102.7	96.1	0	0	0	113.1	L66 L67 P72	L66-L70 WeakPolarHBondContact O-CB 3.25Å; L66-L70 VanDerWaalsContact O-CD1 3.26Å; L66-L70 WeakPolarHBondContact O-CD1 3.47Å; L66-L70 PolarHBondContact O-N 3.46Å; L67-L70 PolarHBondContact O-N 3.15Å; L70-P72 WeakPolarHBondContact O-CD 3.48Å
71	D	71.7	Confident	69.1	Low	72 Å²	72	104.3 Å²	104.3	39%	0.385	53%	0.525	S	S	.	.			trans	-68.8	113.3	173.7	-168.1	-14.9	0	0	0	108.8	L67 Q73 F74 T75	L67-D71 PolarHBondContact O-N 3.11Å; D71-Q73 PolarHBondContact O-N 3.1Å; D71-Q73 VanDerWaalsContact O-N 3.09Å; D71-Q73 PolarHBondContact OD1-N 3.39Å; D71-F74 HydrophobicContact CB-CB 4.3Å; D71-F74 WeakPolarHBondContact O-CB 3.49Å; D71-F74 PolarHBondContact O-N 3.34Å; D71-T75 PolarHBondContact O-N 2.92Å; D71-T75 PolarHBondContact O-OG1 3.35Å
72	P	65	Low	69	Low	83 Å²	83	103.3 Å²	103.3	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-54.7	-32.6	-178.4	-25.2	35.7	0	0	0	112.4	L70 F74 T75 D76	L70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-F74 PolarHBondContact O-N 3.26Å; P72-T75 PolarHBondContact O-N 3.48Å; P72-T75 PolarHBondContact O-OG1 3.05Å; P72-D76 WeakPolarHBondContact O-CB 3.03Å; P72-D76 VanDerWaalsContact O-CG 3.27Å; P72-D76 PolarHBondContact O-N 3.39Å
73	Q	64.6	Low	69.2	Low	140 Å²	140	101.2 Å²	101.2	65%	0.654	53%	0.531	S	S	*	.	H	α-helix	trans	-64.3	-29.5	178.2	-58.8	-172.3	3.8	0	0	112.5	D71 H77	D71-Q73 PolarHBondContact O-N 3.1Å; D71-Q73 VanDerWaalsContact O-N 3.09Å; D71-Q73 PolarHBondContact OD1-N 3.39Å; Q73-H77 PolarHBondContact O-CD2 2.87Å
74	F	62	Low	69.4	Low	60 Å²	60	103.1 Å²	103.1	26%	0.263	54%	0.539	S	S	.	.	H	α-helix	trans	-80.2	-38.7	179.1	-170.1	-104.3	0	0	0	112.3	K68 Y69 D71 P72 I78	K68-F74 VanDerWaalsContact CE-CE2 3.47Å; K68-F74 HydrophobicContact CG-CD1 4.38Å; K68-F74 HydrophobicContact CG-CD2 4.33Å; K68-F74 HydrophobicContact CG-CE1 4.49Å; K68-F74 HydrophobicContact CG-CE2 4.46Å; K68-F74 HydrophobicContact CG-CG 4.29Å; K68-F74 VanDerWaalsContact O-CB 3.28Å; K68-F74 WeakPolarHBondContact O-CB 3.34Å; K68-F74 WeakPolarHBondContact O-CD1 3.26Å; K68-F74 WeakPolarHBondContact O-CG 3.47Å; Y69-F74 HydrophobicContact CD1-CD1 4.01Å; Y69-F74 AromaticContact CD1-CE1 3.69Å; Y69-F74 HydrophobicContact CD1-CE1 3.69Å; Y69-F74 HydrophobicContact CE1-CD1 4.42Å; Y69-F74 AromaticContact CE1-CE1 3.65Å; Y69-F74 HydrophobicContact CE1-CE1 3.65Å; D71-F74 HydrophobicContact CB-CB 4.3Å; D71-F74 WeakPolarHBondContact O-CB 3.49Å; D71-F74 PolarHBondContact O-N 3.34Å; P72-F74 PolarHBondContact O-N 3.26Å; F74-I78 HydrophobicContact CD1-CD1 3.89Å; F74-I78 HydrophobicContact CE1-CD1 3.37Å; F74-I78 HydrophobicContact CE2-CD1 4.12Å; F74-I78 HydrophobicContact CG-CD1 4.47Å; F74-I78 HydrophobicContact CZ-CD1 3.5Å
75	T	60.2	Low	69.9	Low	60 Å²	60	100.5 Å²	100.5	37%	0.368	53%	0.526	S	S	.	.	H	α-helix	trans	-66.6	-44.7	175	11.4	0	0	0	0	112	D71 P72 H77 I78 T79	D71-T75 PolarHBondContact O-N 2.92Å; D71-T75 PolarHBondContact O-OG1 3.35Å; P72-T75 PolarHBondContact O-N 3.48Å; P72-T75 PolarHBondContact O-OG1 3.05Å; T75-H77 VanDerWaalsContact C-N 3.27Å; T75-H77 PolarHBondContact O-N 2.86Å; T75-I78 PolarHBondContact O-N 3.26Å; T75-T79 VanDerWaalsContact O-CG2 3.27Å; T75-T79 WeakPolarHBondContact O-CG2 3.41Å; T75-T79 PolarHBondContact O-N 2.83Å; T75-T79 PolarHBondContact O-OG1 3.36Å
76	D	60.7	Low	70.5	Confident	109 Å²	109	100.9 Å²	100.9	58%	0.583	53%	0.527	S	S	*	.	H	α-helix	trans	-62.5	-32.7	-176.4	-72.5	-15.5	0	0	0	112.8	P72	P72-D76 WeakPolarHBondContact O-CB 3.03Å; P72-D76 VanDerWaalsContact O-CG 3.27Å; P72-D76 PolarHBondContact O-N 3.39Å
77	H	60.1	Low	71.1	Confident	161 Å²	161	102.6 Å²	102.6	75%	0.745	53%	0.533	S	S	*	.	H	α-helix	trans	-75.2	-24.2	176.2	-74.1	-45.8	0	0	0	114.2	Q73 T75	Q73-H77 PolarHBondContact O-CD2 2.87Å; T75-H77 VanDerWaalsContact C-N 3.27Å; T75-H77 PolarHBondContact O-N 2.86Å
78	I	60	Low	71.6	Confident	113 Å²	113	102.8 Å²	102.8	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-92.4	-25.9	-178.5	-67.6	172.6	0	0	0	111.4	F74 T75	F74-I78 HydrophobicContact CD1-CD1 3.89Å; F74-I78 HydrophobicContact CE1-CD1 3.37Å; F74-I78 HydrophobicContact CE2-CD1 4.12Å; F74-I78 HydrophobicContact CG-CD1 4.47Å; F74-I78 HydrophobicContact CZ-CD1 3.5Å; T75-I78 PolarHBondContact O-N 3.26Å
79	T	66.3	Low	72.4	Confident	83 Å²	83	101.9 Å²	101.9	51%	0.509	53%	0.529	S	S	.	.			trans	-90.5	1.5	-167.7	52.8	0	0	0	0	115.6	T75 P81	T75-T79 VanDerWaalsContact O-CG2 3.27Å; T75-T79 WeakPolarHBondContact O-CG2 3.41Å; T75-T79 PolarHBondContact O-N 2.83Å; T75-T79 PolarHBondContact O-OG1 3.36Å; T79-P81 WeakPolarHBondContact O-CD 3.13Å; T79-P81 WeakPolarHBondContact O-CG 3.32Å
80	V	67.5	Low	73.5	Confident	57 Å²	57	99.5 Å²	99.5	35%	0.345	53%	0.525	S	S	.	.			trans	-65	107	176	-173	0	0	0	0	108.3	M84 K85	V80-M84 HydrophobicContact CG1-CB 4.03Å; V80-M84 HydrophobicContact CG1-CG 4.16Å; V80-M84 HydrophobicContact CG1-SD 4.06Å; V80-K85 HydrophobicContact CB-CG 4.39Å; V80-K85 HydrophobicContact CG1-CG 3.65Å; V80-K85 WeakPolarHBondContact O-CE 3.34Å
81	P	80.6	Confident	74.6	Confident	76 Å²	76	97.2 Å²	97.2	49%	0.494	53%	0.525	S	S	.	.			trans	-66.9	151.1	-176.6	-18	34.4	0	0	0	109.6	T79 A83 M84 K85	T79-P81 WeakPolarHBondContact O-CD 3.13Å; T79-P81 WeakPolarHBondContact O-CG 3.32Å; P81-A83 PolarHBondContact O-N 3.3Å; P81-A83 VanDerWaalsContact O-N 3.15Å; P81-M84 WeakPolarHBondContact O-CA 3.24Å; P81-M84 WeakPolarHBondContact O-CB 3.19Å; P81-M84 PolarHBondContact O-N 3.49Å; P81-K85 PolarHBondContact O-N 3.13Å; P81-K85 VanDerWaalsContact O-N 3.08Å
82	D	76	Confident	75.6	Confident	122 Å²	122	96.9 Å²	96.9	65%	0.652	52%	0.522	S	S	*	.	H	α-helix	trans	-61.3	-29.8	-176	-66.9	-22	0	0	0	113	M84 K85 L86	D82-M84 VanDerWaalsContact C-N 3.33Å; D82-M84 PolarHBondContact O-N 3.42Å; D82-K85 PolarHBondContact O-N 3.32Å; D82-K85 IonicContact OD1-NZ 3.76Å; D82-K85 PolarHBondContact OD1-NZ 2.75Å; D82-L86 PolarHBondContact O-N 3.42Å; D82-L86 VanDerWaalsContact O-N 3.11Å
83	A	80.6	Confident	76.9	Confident	73 Å²	73	97.8 Å²	97.8	60%	0.603	52%	0.518	S	S	*	.	H	α-helix	trans	-62.3	-38.7	170.8	0	0	0	0	0	112.5	P81 L86 E87	P81-A83 PolarHBondContact O-N 3.3Å; P81-A83 VanDerWaalsContact O-N 3.15Å; A83-L86 PolarHBondContact O-N 3.09Å; A83-E87 WeakPolarHBondContact O-CG 3.37Å; A83-E87 PolarHBondContact O-N 3.38Å; A83-E87 VanDerWaalsContact O-N 3.11Å
84	M	81.5	Confident	78.2	Confident	119 Å²	119	97.4 Å²	97.4	59%	0.586	52%	0.521	S	S	*	.	H	α-helix	trans	-72.9	-34.3	178.2	-168.5	-179.5	-165.7	0	0	111.8	V80 P81 D82 L86 E87 F88	V80-M84 HydrophobicContact CG1-CB 4.03Å; V80-M84 HydrophobicContact CG1-CG 4.16Å; V80-M84 HydrophobicContact CG1-SD 4.06Å; P81-M84 WeakPolarHBondContact O-CA 3.24Å; P81-M84 WeakPolarHBondContact O-CB 3.19Å; P81-M84 PolarHBondContact O-N 3.49Å; D82-M84 VanDerWaalsContact C-N 3.33Å; D82-M84 PolarHBondContact O-N 3.42Å; M84-L86 VanDerWaalsContact C-N 3.3Å; M84-L86 PolarHBondContact O-N 3.37Å; M84-E87 PolarHBondContact O-N 2.99Å; M84-F88 VanDerWaalsContact O-CB 3.29Å; M84-F88 WeakPolarHBondContact O-CB 3.42Å; M84-F88 PolarHBondContact O-N 3.14Å
85	K	83.3	Confident	79.8	Confident	96 Å²	96	100 Å²	100	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-62.5	-40.1	172.7	-62.5	178	-170.6	148.2	0	111.3	V80 P81 D82 F88 I89	V80-K85 HydrophobicContact CB-CG 4.39Å; V80-K85 HydrophobicContact CG1-CG 3.65Å; V80-K85 WeakPolarHBondContact O-CE 3.34Å; P81-K85 PolarHBondContact O-N 3.13Å; P81-K85 VanDerWaalsContact O-N 3.08Å; D82-K85 PolarHBondContact O-N 3.32Å; D82-K85 IonicContact OD1-NZ 3.76Å; D82-K85 PolarHBondContact OD1-NZ 2.75Å; K85-F88 PolarHBondContact O-N 3.18Å; K85-I89 WeakPolarHBondContact O-CD1 3.43Å; K85-I89 VanDerWaalsContact O-CG1 3.25Å; K85-I89 WeakPolarHBondContact O-CG1 3.46Å; K85-I89 PolarHBondContact O-N 3.37Å
86	L	86.1	Confident	81.4	Confident	98 Å²	98	101.2 Å²	101.2	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-48.7	177.1	-177.4	136.5	0	0	0	111.3	D82 A83 M84 F88 I89 L90	D82-L86 PolarHBondContact O-N 3.42Å; D82-L86 VanDerWaalsContact O-N 3.11Å; A83-L86 PolarHBondContact O-N 3.09Å; M84-L86 VanDerWaalsContact C-N 3.3Å; M84-L86 PolarHBondContact O-N 3.37Å; L86-F88 VanDerWaalsContact C-N 3.27Å; L86-F88 PolarHBondContact O-N 3.04Å; L86-I89 PolarHBondContact O-N 3.39Å; L86-L90 HydrophobicContact CD2-CD1 3.61Å; L86-L90 HydrophobicContact CD2-CG 4.49Å; L86-L90 HydrophobicContact CG-CD1 4.25Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 2.74Å
87	E	86.1	Confident	83	Confident	122 Å²	122	100.7 Å²	100.7	57%	0.57	53%	0.533	S	S	*	.	H	α-helix	trans	-61.2	-36.7	175.6	-66.9	-59.9	143.7	0	0	112.2	A83 M84 L90 A91	A83-E87 WeakPolarHBondContact O-CG 3.37Å; A83-E87 PolarHBondContact O-N 3.38Å; A83-E87 VanDerWaalsContact O-N 3.11Å; M84-E87 PolarHBondContact O-N 2.99Å; E87-L90 PolarHBondContact O-N 3.33Å; E87-A91 WeakPolarHBondContact O-CB 3.43Å; E87-A91 PolarHBondContact O-N 2.92Å
88	F	86.2	Confident	84.7	Confident	121 Å²	121	95.6 Å²	95.6	53%	0.531	52%	0.515	S	S	.	.	H	α-helix	trans	-65.5	-44.8	176.1	-171.9	-93.3	0	0	0	112	M84 K85 L86 L90 A91 E92	M84-F88 VanDerWaalsContact O-CB 3.29Å; M84-F88 WeakPolarHBondContact O-CB 3.42Å; M84-F88 PolarHBondContact O-N 3.14Å; K85-F88 PolarHBondContact O-N 3.18Å; L86-F88 VanDerWaalsContact C-N 3.27Å; L86-F88 PolarHBondContact O-N 3.04Å; F88-L90 VanDerWaalsContact C-N 3.34Å; F88-L90 PolarHBondContact O-N 3.07Å; F88-A91 PolarHBondContact O-N 3.26Å; F88-E92 VanDerWaalsContact CE1-CD 3.41Å; F88-E92 HydrophobicContact CE1-CG 4.13Å; F88-E92 VanDerWaalsContact CE1-OE2 3.26Å; F88-E92 WeakPolarHBondContact CE1-OE2 3.39Å; F88-E92 HydrophobicContact CE2-CG 4.47Å; F88-E92 HydrophobicContact CZ-CG 4.12Å; F88-E92 WeakPolarHBondContact CZ-OE1 3.39Å; F88-E92 WeakPolarHBondContact CZ-OE2 3.39Å; F88-E92 WeakPolarHBondContact O-CB 3.44Å; F88-E92 PolarHBondContact O-N 3.04Å
89	I	88.1	Confident	86.3	Confident	99 Å²	99	94.7 Å²	94.7	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-41.3	177.2	-68.9	164.6	0	0	0	110.9	K85 L86 E92 E93	K85-I89 WeakPolarHBondContact O-CD1 3.43Å; K85-I89 VanDerWaalsContact O-CG1 3.25Å; K85-I89 WeakPolarHBondContact O-CG1 3.46Å; K85-I89 PolarHBondContact O-N 3.37Å; L86-I89 PolarHBondContact O-N 3.39Å; I89-E92 CarbonylContact O-C 3.49Å; I89-E92 PolarHBondContact O-N 3.5Å; I89-E93 WeakPolarHBondContact O-CA 3.33Å; I89-E93 PolarHBondContact O-N 3.49Å
90	L	89.9	Confident	87.6	Confident	92 Å²	92	93.3 Å²	93.3	48%	0.482	51%	0.506	S	S	.	.	H	α-helix	trans	-68.7	-40.8	177.6	-69.4	174.9	0	0	0	111.8	L86 E87 F88 E92 E93	L86-L90 HydrophobicContact CD2-CD1 3.61Å; L86-L90 HydrophobicContact CD2-CG 4.49Å; L86-L90 HydrophobicContact CG-CD1 4.25Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 2.74Å; E87-L90 PolarHBondContact O-N 3.33Å; F88-L90 VanDerWaalsContact C-N 3.34Å; F88-L90 PolarHBondContact O-N 3.07Å; L90-E92 VanDerWaalsContact C-N 3.29Å; L90-E92 PolarHBondContact O-N 3.41Å; L90-E93 WeakPolarHBondContact O-CB 3.33Å; L90-E93 PolarHBondContact O-N 3.17Å
91	A	90.6	Very high	88.9	Confident	85 Å²	85	93.9 Å²	93.9	70%	0.702	51%	0.509	S	S	*	.	H	α-helix	trans	-66.2	-32	176.5	0	0	0	0	0	112.5	E87 F88	E87-A91 WeakPolarHBondContact O-CB 3.43Å; E87-A91 PolarHBondContact O-N 2.92Å; F88-A91 PolarHBondContact O-N 3.26Å
92	E	91.7	Very high	89.6	Confident	66 Å²	66	94.6 Å²	94.6	31%	0.308	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	9	176.8	-65.1	-159.1	165.1	0	0	113.9	F88 I89 L90 D94 F95 L96	F88-E92 VanDerWaalsContact CE1-CD 3.41Å; F88-E92 HydrophobicContact CE1-CG 4.13Å; F88-E92 VanDerWaalsContact CE1-OE2 3.26Å; F88-E92 WeakPolarHBondContact CE1-OE2 3.39Å; F88-E92 HydrophobicContact CE2-CG 4.47Å; F88-E92 HydrophobicContact CZ-CG 4.12Å; F88-E92 WeakPolarHBondContact CZ-OE1 3.39Å; F88-E92 WeakPolarHBondContact CZ-OE2 3.39Å; F88-E92 WeakPolarHBondContact O-CB 3.44Å; F88-E92 PolarHBondContact O-N 3.04Å; I89-E92 CarbonylContact O-C 3.49Å; I89-E92 PolarHBondContact O-N 3.5Å; L90-E92 VanDerWaalsContact C-N 3.29Å; L90-E92 PolarHBondContact O-N 3.41Å; E92-D94 PolarHBondContact O-N 2.75Å; E92-F95 HydrophobicContact CB-CB 4.46Å; E92-F95 WeakPolarHBondContact O-CB 3.2Å; E92-F95 PolarHBondContact O-N 3.24Å; E92-L96 HydrophobicContact CB-CG 4.43Å; E92-L96 WeakPolarHBondContact O-CG 3.43Å; E92-L96 PolarHBondContact O-N 3.33Å
93	E	92.3	Very high	90.5	Very high	101 Å²	101	94.4 Å²	94.4	47%	0.472	51%	0.507	S	S	.	.	H	α-helix	trans	-56.6	-49.8	-175.5	-178.2	176.1	-174.9	0	0	111.8	I89 L90 F95 L96 L97	I89-E93 WeakPolarHBondContact O-CA 3.33Å; I89-E93 PolarHBondContact O-N 3.49Å; L90-E93 WeakPolarHBondContact O-CB 3.33Å; L90-E93 PolarHBondContact O-N 3.17Å; E93-F95 VanDerWaalsContact C-N 3.28Å; E93-F95 PolarHBondContact O-N 3.27Å; E93-L96 PolarHBondContact O-N 3.42Å; E93-L97 HydrophobicContact CG-CD1 4.09Å; E93-L97 WeakPolarHBondContact O-CB 3.36Å; E93-L97 WeakPolarHBondContact O-CG 3.44Å; E93-L97 PolarHBondContact O-N 3.21Å
94	D	92.7	Very high	91.2	Very high	133 Å²	133	96.8 Å²	96.8	71%	0.711	51%	0.505	S	S	*	.	H	α-helix	trans	-61.5	-38.3	177.7	-73.3	-26.8	0	0	0	112	E92 S98	E92-D94 PolarHBondContact O-N 2.75Å; D94-S98 VanDerWaalsContact O-CB 3.32Å; D94-S98 WeakPolarHBondContact O-CB 3.43Å; D94-S98 PolarHBondContact O-N 2.65Å; D94-S98 PolarHBondContact O-OG 3.19Å
95	F	94.6	Very high	91.8	Very high	115 Å²	115	96.6 Å²	96.6	50%	0.504	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-48.4	177.4	174.8	-105	0	0	0	111	E92 E93 L97 S98 Q99	E92-F95 HydrophobicContact CB-CB 4.46Å; E92-F95 WeakPolarHBondContact O-CB 3.2Å; E92-F95 PolarHBondContact O-N 3.24Å; E93-F95 VanDerWaalsContact C-N 3.28Å; E93-F95 PolarHBondContact O-N 3.27Å; F95-L97 PolarHBondContact O-N 2.89Å; F95-S98 PolarHBondContact O-N 3.39Å; F95-S98 PolarHBondContact O-OG 3.18Å; F95-Q99 WeakPolarHBondContact O-CB 3.47Å; F95-Q99 PolarHBondContact O-N 2.94Å
96	L	94.4	Very high	92.2	Very high	85 Å²	85	96.6 Å²	96.6	45%	0.445	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-42.1	178.4	-69.9	172.9	0	0	0	111.8	E92 E93 Q99 A100	E92-L96 HydrophobicContact CB-CG 4.43Å; E92-L96 WeakPolarHBondContact O-CG 3.43Å; E92-L96 PolarHBondContact O-N 3.33Å; E93-L96 PolarHBondContact O-N 3.42Å; L96-Q99 PolarHBondContact O-N 3.43Å; L96-A100 WeakPolarHBondContact O-CB 3.35Å; L96-A100 PolarHBondContact O-N 3.25Å
97	L	94.4	Very high	92.5	Very high	98 Å²	98	95.2 Å²	95.2	51%	0.513	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-46.7	175.1	-74.6	173.3	0	0	0	111.3	E93 F95 Q99 A100 T101	E93-L97 HydrophobicContact CG-CD1 4.09Å; E93-L97 WeakPolarHBondContact O-CB 3.36Å; E93-L97 WeakPolarHBondContact O-CG 3.44Å; E93-L97 PolarHBondContact O-N 3.21Å; F95-L97 PolarHBondContact O-N 2.89Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.49Å; L97-A100 PolarHBondContact O-N 3.25Å; L97-T101 WeakPolarHBondContact O-CG2 3.28Å; L97-T101 PolarHBondContact O-N 3.22Å
98	S	94.9	Very high	92.8	Very high	53 Å²	53	94.5 Å²	94.5	37%	0.371	51%	0.509	S	S	.	.	H	α-helix	trans	-59.6	-43.1	177.2	76.5	0	0	0	0	111.5	D94 F95 A100 T101 L102	D94-S98 VanDerWaalsContact O-CB 3.32Å; D94-S98 WeakPolarHBondContact O-CB 3.43Å; D94-S98 PolarHBondContact O-N 2.65Å; D94-S98 PolarHBondContact O-OG 3.19Å; F95-S98 PolarHBondContact O-N 3.39Å; F95-S98 PolarHBondContact O-OG 3.18Å; S98-A100 PolarHBondContact O-N 3.16Å; S98-T101 PolarHBondContact O-N 2.95Å; S98-T101 PolarHBondContact O-OG1 2.93Å; S98-L102 PolarHBondContact O-N 3.44Å
99	Q	94.1	Very high	92.9	Very high	95 Å²	95	93.5 Å²	93.5	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-67.4	-38.5	178.9	-166.5	64.9	17.4	0	0	111.8	F95 L96 L97 L102 L103	F95-Q99 WeakPolarHBondContact O-CB 3.47Å; F95-Q99 PolarHBondContact O-N 2.94Å; L96-Q99 PolarHBondContact O-N 3.43Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.49Å; Q99-L102 PolarHBondContact O-N 3.45Å; Q99-L103 WeakPolarHBondContact O-CB 3.28Å; Q99-L103 PolarHBondContact O-N 3Å
100	A	94	Very high	92.9	Very high	54 Å²	54	94.7 Å²	94.7	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-43.5	175.1	0	0	0	0	0	111.7	L96 L97 S98 L102 L103 E104	L96-A100 WeakPolarHBondContact O-CB 3.35Å; L96-A100 PolarHBondContact O-N 3.25Å; L97-A100 PolarHBondContact O-N 3.25Å; S98-A100 PolarHBondContact O-N 3.16Å; A100-L102 PolarHBondContact O-N 3.39Å; A100-L103 PolarHBondContact O-N 3.5Å; A100-E104 WeakPolarHBondContact O-CB 3.48Å; A100-E104 PolarHBondContact O-N 3.09Å
101	T	95.8	Very high	92.7	Very high	68 Å²	68	94.4 Å²	94.4	42%	0.417	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-40.7	176.7	63.1	0	0	0	0	112.4	L97 S98 E104 Q105	L97-T101 WeakPolarHBondContact O-CG2 3.28Å; L97-T101 PolarHBondContact O-N 3.22Å; S98-T101 PolarHBondContact O-N 2.95Å; S98-T101 PolarHBondContact O-OG1 2.93Å; T101-E104 PolarHBondContact O-N 2.95Å; T101-Q105 WeakPolarHBondContact O-CG 3.44Å; T101-Q105 PolarHBondContact O-N 2.83Å
102	L	94.8	Very high	92.3	Very high	91 Å²	91	95.3 Å²	95.3	48%	0.476	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-41.6	174	-100.9	71	0	0	0	111.4	S98 Q99 A100 E104 Q105 V106	S98-L102 PolarHBondContact O-N 3.44Å; Q99-L102 PolarHBondContact O-N 3.45Å; A100-L102 PolarHBondContact O-N 3.39Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-E104 PolarHBondContact O-N 3.32Å; L102-Q105 WeakPolarHBondContact O-CB 3.29Å; L102-Q105 PolarHBondContact O-N 3.45Å; L102-V106 WeakPolarHBondContact O-CG2 3.25Å; L102-V106 PolarHBondContact O-N 2.85Å
103	L	95.1	Very high	91.7	Very high	119 Å²	119	98.6 Å²	98.6	62%	0.623	53%	0.528	S	S	*	.	H	α-helix	trans	-63.7	-40.7	177.9	-162.8	87.2	0	0	0	111.3	Q99 A100 V106 S107	Q99-L103 WeakPolarHBondContact O-CB 3.28Å; Q99-L103 PolarHBondContact O-N 3Å; A100-L103 PolarHBondContact O-N 3.5Å; L103-V106 PolarHBondContact O-N 3.49Å; L103-S107 WeakPolarHBondContact O-CB 3.42Å; L103-S107 PolarHBondContact O-N 3.47Å
104	E	95.3	Very high	91.1	Very high	122 Å²	122	100.3 Å²	100.3	57%	0.57	54%	0.54	S	S	*	.	H	α-helix	trans	-63.1	-43.5	175	-171.9	178	-173.6	0	0	111.2	A100 T101 L102 V106 S107 N108	A100-E104 WeakPolarHBondContact O-CB 3.48Å; A100-E104 PolarHBondContact O-N 3.09Å; T101-E104 PolarHBondContact O-N 2.95Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-E104 PolarHBondContact O-N 3.32Å; E104-V106 VanDerWaalsContact C-N 3.34Å; E104-V106 PolarHBondContact O-N 2.88Å; E104-S107 PolarHBondContact O-N 2.97Å; E104-N108 WeakPolarHBondContact O-CB 3.49Å; E104-N108 PolarHBondContact O-N 2.88Å; E104-N108 PolarHBondContact O-ND2 3.36Å
105	Q	93.4	Very high	90.7	Very high	116 Å²	116	95.3 Å²	95.3	54%	0.542	52%	0.515	S	S	.	.	H	α-helix	trans	-58.8	-45.3	173.3	-72.2	174.6	5.7	0	0	111.8	T101 L102 N108 L109	T101-Q105 WeakPolarHBondContact O-CG 3.44Å; T101-Q105 PolarHBondContact O-N 2.83Å; L102-Q105 WeakPolarHBondContact O-CB 3.29Å; L102-Q105 PolarHBondContact O-N 3.45Å; Q105-N108 PolarHBondContact O-N 3.25Å; Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.47Å; Q105-L109 PolarHBondContact O-N 2.91Å
106	V	92.3	Very high	89.8	Confident	96 Å²	96	93.9 Å²	93.9	58%	0.582	51%	0.513	S	S	*	.	H	α-helix	trans	-63.1	-43.7	177.1	171.5	0	0	0	0	111.1	L102 L103 E104 N108 L109 Q110	L102-V106 WeakPolarHBondContact O-CG2 3.25Å; L102-V106 PolarHBondContact O-N 2.85Å; L103-V106 PolarHBondContact O-N 3.49Å; E104-V106 VanDerWaalsContact C-N 3.34Å; E104-V106 PolarHBondContact O-N 2.88Å; V106-N108 VanDerWaalsContact C-N 3.29Å; V106-N108 PolarHBondContact O-N 3.41Å; V106-L109 PolarHBondContact O-N 3.29Å; V106-L109 VanDerWaalsContact O-N 3.16Å; V106-Q110 PolarHBondContact O-N 2.89Å
107	S	92.1	Very high	89.1	Confident	68 Å²	68	99.3 Å²	99.3	48%	0.476	53%	0.529	S	S	.	.	H	α-helix	trans	-60.7	-38.6	176.4	-174.3	0	0	0	0	111.9	L103 E104 L109 Q110 P111	L103-S107 WeakPolarHBondContact O-CB 3.42Å; L103-S107 PolarHBondContact O-N 3.47Å; E104-S107 PolarHBondContact O-N 2.97Å; S107-L109 VanDerWaalsContact C-N 3.32Å; S107-Q110 PolarHBondContact O-N 2.87Å; S107-P111 WeakPolarHBondContact O-CD 3.44Å
108	N	91.3	Very high	88.5	Confident	107 Å²	107	99.7 Å²	99.7	57%	0.572	53%	0.531	S	S	*	.	H	α-helix	trans	-70.6	-29	177.6	-70.8	-26	0	0	0	112.7	E104 Q105 V106 P111	E104-N108 WeakPolarHBondContact O-CB 3.49Å; E104-N108 PolarHBondContact O-N 2.88Å; E104-N108 PolarHBondContact O-ND2 3.36Å; Q105-N108 PolarHBondContact O-N 3.25Å; V106-N108 VanDerWaalsContact C-N 3.29Å; V106-N108 PolarHBondContact O-N 3.41Å; N108-P111 WeakPolarHBondContact O-CD 3.42Å
109	L	89.1	Confident	88	Confident	101 Å²	101	105 Å²	105	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-85.7	-20.6	178.3	-66.9	170.9	0	0	0	112.8	Q105 V106 S107 P111 L112	Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.47Å; Q105-L109 PolarHBondContact O-N 2.91Å; V106-L109 PolarHBondContact O-N 3.29Å; V106-L109 VanDerWaalsContact O-N 3.16Å; S107-L109 VanDerWaalsContact C-N 3.32Å; L109-P111 VanDerWaalsContact C-CD 3.46Å; L109-L112 HydrophobicContact CD2-CD1 3.64Å; L109-L112 WeakPolarHBondContact O-CB 3.37Å; L109-L112 PolarHBondContact O-N 3.24Å
110	Q	87.7	Confident	87.7	Confident	123 Å²	123	102.7 Å²	102.7	58%	0.575	53%	0.533	S	S	*	.	H	α-helix	trans	-52	-44.1	179.8	-175.1	178.5	-7.3	0	0	113.8	V106 S107 L112 L113	V106-Q110 PolarHBondContact O-N 2.89Å; S107-Q110 PolarHBondContact O-N 2.87Å; Q110-L112 PolarHBondContact O-N 3.39Å; Q110-L113 WeakPolarHBondContact O-CD1 3.37Å; Q110-L113 PolarHBondContact O-N 3.28Å
111	P	86.1	Confident	87.5	Confident	87 Å²	87	104.1 Å²	104.1	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-65	-18.8	178.4	-21.4	34.1	0	0	0	114.5	S107 N108 L109 L113	S107-P111 WeakPolarHBondContact O-CD 3.44Å; N108-P111 WeakPolarHBondContact O-CD 3.42Å; L109-P111 VanDerWaalsContact C-CD 3.46Å; P111-L113 VanDerWaalsContact C-N 3.32Å
112	L	82.4	Confident	87.2	Confident	104 Å²	104	105 Å²	105	55%	0.545	54%	0.543	S	S	.	.	H	α-helix	trans	-73.9	-25	177.9	-62.2	173.6	0	0	0	112.2	L109 Q110 D114 S115 I118	L109-L112 HydrophobicContact CD2-CD1 3.64Å; L109-L112 WeakPolarHBondContact O-CB 3.37Å; L109-L112 PolarHBondContact O-N 3.24Å; Q110-L112 PolarHBondContact O-N 3.39Å; L112-D114 VanDerWaalsContact C-N 3.29Å; L112-D114 PolarHBondContact O-N 3.49Å; L112-S115 WeakPolarHBondContact O-CB 3.33Å; L112-S115 PolarHBondContact O-N 3.4Å; L112-I118 WeakPolarHBondContact O-CD1 2.91Å
113	L	79.1	Confident	87.1	Confident	135 Å²	135	105.5 Å²	105.5	71%	0.707	54%	0.543	S	S	*	.	H	α-helix	trans	-66.8	-34	175.8	-73	114.4	0	0	0	111.9	Q110 P111 S115	Q110-L113 WeakPolarHBondContact O-CD1 3.37Å; Q110-L113 PolarHBondContact O-N 3.28Å; P111-L113 VanDerWaalsContact C-N 3.32Å; L113-S115 PolarHBondContact O-N 2.99Å
114	D	79.3	Confident	86.9	Confident	136 Å²	136	105.1 Å²	105.1	73%	0.727	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	11.7	177.6	-66.6	-32	0	0	0	112.8	L112 N116	L112-D114 VanDerWaalsContact C-N 3.29Å; L112-D114 PolarHBondContact O-N 3.49Å; D114-N116 PolarHBondContact O-N 2.84Å
115	S	83.8	Confident	86.8	Confident	28 Å²	28	101.8 Å²	101.8	20%	0.196	53%	0.531	C	S	.	.			trans	-63.4	123.2	-178.8	-171.3	0	0	0	0	111.3	L112 L113 Y117 I118 R119	L112-S115 WeakPolarHBondContact O-CB 3.33Å; L112-S115 PolarHBondContact O-N 3.4Å; L113-S115 PolarHBondContact O-N 2.99Å; S115-Y117 PolarHBondContact O-N 3.29Å; S115-Y117 VanDerWaalsContact O-N 3.09Å; S115-Y117 VanDerWaalsContact OG-CD2 3.24Å; S115-Y117 WeakPolarHBondContact OG-CD2 3.36Å; S115-I118 PolarHBondContact O-N 2.92Å; S115-R119 PolarHBondContact O-N 3.45Å
116	N	76.9	Confident	86.8	Confident	86 Å²	86	100.2 Å²	100.2	46%	0.46	53%	0.53	S	S	.	.	H	α-helix	trans	-54.5	-31.2	175.9	-64.9	-51.4	0	0	0	111.7	D114 I118 R119 D120	D114-N116 PolarHBondContact O-N 2.84Å; N116-I118 VanDerWaalsContact C-N 3.3Å; N116-I118 PolarHBondContact O-N 3.28Å; N116-R119 PolarHBondContact O-N 3.05Å; N116-R119 VanDerWaalsContact OD1-CZ 3.24Å; N116-R119 PolarHBondContact OD1-NH1 3.2Å; N116-R119 PolarHBondContact OD1-NH2 2.98Å; N116-D120 WeakPolarHBondContact O-CB 3.41Å; N116-D120 PolarHBondContact O-N 3.39Å
117	Y	79.3	Confident	86.9	Confident	198 Å²	198	101.1 Å²	101.1	78%	0.776	53%	0.525	S	S	*	.	H	α-helix	trans	-60.9	-36.3	177.7	-57	-64.3	0	0	0	113	S115 V121	S115-Y117 PolarHBondContact O-N 3.29Å; S115-Y117 VanDerWaalsContact O-N 3.09Å; S115-Y117 VanDerWaalsContact OG-CD2 3.24Å; S115-Y117 WeakPolarHBondContact OG-CD2 3.36Å; Y117-V121 WeakPolarHBondContact O-CG2 3.36Å
118	I	82.4	Confident	87.1	Confident	106 Å²	106	103.3 Å²	103.3	54%	0.544	53%	0.532	S	S	.	.	H	α-helix	trans	-77.2	-40.5	177	-60.8	176.6	0	0	0	109.8	L112 S115 N116 D120 V121	L112-I118 WeakPolarHBondContact O-CD1 2.91Å; S115-I118 PolarHBondContact O-N 2.92Å; N116-I118 VanDerWaalsContact C-N 3.3Å; N116-I118 PolarHBondContact O-N 3.28Å; I118-D120 VanDerWaalsContact C-N 3.31Å; I118-D120 PolarHBondContact O-N 2.89Å; I118-V121 WeakPolarHBondContact O-CB 3.22Å; I118-V121 WeakPolarHBondContact O-CG2 3.48Å; I118-V121 PolarHBondContact O-N 3.27Å
119	R	83.6	Confident	87.2	Confident	164 Å²	164	104.1 Å²	104.1	62%	0.619	53%	0.532	S	S	*	.	H	α-helix	trans	-63.5	-37.2	179.9	-168	-171.5	66.7	-153.8	-8.6	112.6	S115 N116 V121 P122	S115-R119 PolarHBondContact O-N 3.45Å; N116-R119 PolarHBondContact O-N 3.05Å; N116-R119 VanDerWaalsContact OD1-CZ 3.24Å; N116-R119 PolarHBondContact OD1-NH1 3.2Å; N116-R119 PolarHBondContact OD1-NH2 2.98Å; R119-V121 VanDerWaalsContact C-N 3.32Å; R119-P122 WeakPolarHBondContact O-CD 3.28Å
120	D	87.6	Confident	87.5	Confident	48 Å²	48	108 Å²	108	26%	0.257	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2	-173.8	-56	-17.9	0	0	0	112.2	N116 I118 E123 H124	N116-D120 WeakPolarHBondContact O-CB 3.41Å; N116-D120 PolarHBondContact O-N 3.39Å; I118-D120 VanDerWaalsContact C-N 3.31Å; I118-D120 PolarHBondContact O-N 2.89Å; D120-E123 WeakPolarHBondContact O-CB 3.39Å; D120-E123 PolarHBondContact O-N 3.2Å; D120-E123 VanDerWaalsContact O-N 3.13Å; D120-H124 PolarHBondContact O-CD2 3.04Å; D120-H124 PolarHBondContact O-N 3.44Å
121	V	89.8	Confident	87.9	Confident	83 Å²	83	107.3 Å²	107.3	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-52	-47	175.8	166.8	0	0	0	0	113.1	Y117 I118 R119 E123 H124 A125	Y117-V121 WeakPolarHBondContact O-CG2 3.36Å; I118-V121 WeakPolarHBondContact O-CB 3.22Å; I118-V121 WeakPolarHBondContact O-CG2 3.48Å; I118-V121 PolarHBondContact O-N 3.27Å; R119-V121 VanDerWaalsContact C-N 3.32Å; V121-E123 VanDerWaalsContact C-N 3.29Å; V121-E123 PolarHBondContact O-N 3Å; V121-H124 PolarHBondContact O-N 2.89Å; V121-A125 WeakPolarHBondContact O-CB 3.35Å; V121-A125 PolarHBondContact O-N 3.24Å
122	P	90.2	Very high	88.4	Confident	86 Å²	86	106.1 Å²	106.1	56%	0.558	53%	0.533	S	S	*	.	H	α-helix	trans	-61.5	-37.8	179.5	-22.9	35.5	0	0	0	112.3	R119 A125 T126	R119-P122 WeakPolarHBondContact O-CD 3.28Å; P122-A125 PolarHBondContact O-N 3.45Å; P122-T126 WeakPolarHBondContact O-CG2 3.33Å; P122-T126 PolarHBondContact O-N 3.11Å; P122-T126 VanDerWaalsContact O-N 3.09Å
123	E	91.8	Very high	89.1	Confident	102 Å²	102	106.4 Å²	106.4	48%	0.477	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-46.5	176.8	-167.6	-175	155.6	0	0	110.7	D120 V121 A125 T126 K127	D120-E123 WeakPolarHBondContact O-CB 3.39Å; D120-E123 PolarHBondContact O-N 3.2Å; D120-E123 VanDerWaalsContact O-N 3.13Å; V121-E123 VanDerWaalsContact C-N 3.29Å; V121-E123 PolarHBondContact O-N 3Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 3.02Å; E123-T126 PolarHBondContact O-N 3.5Å; E123-T126 PolarHBondContact O-OG1 3.4Å; E123-K127 PolarHBondContact O-N 3Å; E123-K127 VanDerWaalsContact O-N 3.14Å; E123-K127 VanDerWaalsContact OE1-CE 3.28Å; E123-K127 WeakPolarHBondContact OE1-CE 3.28Å; E123-K127 IonicContact OE1-NZ 2.7Å; E123-K127 PolarHBondContact OE1-NZ 3.25Å
124	H	91.3	Very high	89.9	Confident	112 Å²	112	103.2 Å²	103.2	52%	0.519	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-38.1	175.1	-70.4	-59.4	0	0	0	112.7	D120 V121 T126 K127 L128	D120-H124 PolarHBondContact O-CD2 3.04Å; D120-H124 PolarHBondContact O-N 3.44Å; V121-H124 PolarHBondContact O-N 2.89Å; H124-T126 PolarHBondContact O-N 2.89Å; H124-K127 PolarHBondContact O-N 2.96Å; H124-L128 VanDerWaalsContact O-CB 3.32Å; H124-L128 WeakPolarHBondContact O-CB 3.47Å; H124-L128 PolarHBondContact O-N 3.4Å
125	A	93.3	Very high	90.8	Very high	51 Å²	51	102.1 Å²	102.1	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-42.9	176.7	0	0	0	0	0	111.9	V121 P122 E123 L128 Q129	V121-A125 WeakPolarHBondContact O-CB 3.35Å; V121-A125 PolarHBondContact O-N 3.24Å; P122-A125 PolarHBondContact O-N 3.45Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 3.02Å; A125-L128 PolarHBondContact O-N 3.18Å; A125-Q129 WeakPolarHBondContact O-CB 3.2Å; A125-Q129 PolarHBondContact O-N 3.46Å
126	T	93.8	Very high	91.4	Very high	84 Å²	84	105 Å²	105	52%	0.515	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-41.2	176.5	62.8	0	0	0	0	112.5	P122 E123 H124 Q129 R130	P122-T126 WeakPolarHBondContact O-CG2 3.33Å; P122-T126 PolarHBondContact O-N 3.11Å; P122-T126 VanDerWaalsContact O-N 3.09Å; E123-T126 PolarHBondContact O-N 3.5Å; E123-T126 PolarHBondContact O-OG1 3.4Å; H124-T126 PolarHBondContact O-N 2.89Å; T126-Q129 PolarHBondContact O-N 3.37Å; T126-R130 PolarHBondContact O-N 3.13Å
127	K	94.3	Very high	92.3	Very high	114 Å²	114	107.3 Å²	107.3	50%	0.496	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-42.9	175.1	-70.1	175.9	-174.2	166.2	0	111.1	E123 H124 R130 L131	E123-K127 PolarHBondContact O-N 3Å; E123-K127 VanDerWaalsContact O-N 3.14Å; E123-K127 VanDerWaalsContact OE1-CE 3.28Å; E123-K127 WeakPolarHBondContact OE1-CE 3.28Å; E123-K127 IonicContact OE1-NZ 2.7Å; E123-K127 PolarHBondContact OE1-NZ 3.25Å; H124-K127 PolarHBondContact O-N 2.96Å; K127-R130 PolarHBondContact O-N 3.4Å; K127-L131 WeakPolarHBondContact O-CB 3.47Å; K127-L131 PolarHBondContact O-N 3.05Å
128	L	95.4	Very high	93.2	Very high	115 Å²	115	103.1 Å²	103.1	60%	0.602	51%	0.51	S	S	*	.	H	α-helix	trans	-64.7	-41.3	177.4	-175.7	64.1	0	0	0	111.8	H124 A125 R130 L131 S132	H124-L128 VanDerWaalsContact O-CB 3.32Å; H124-L128 WeakPolarHBondContact O-CB 3.47Å; H124-L128 PolarHBondContact O-N 3.4Å; A125-L128 PolarHBondContact O-N 3.18Å; L128-R130 VanDerWaalsContact C-N 3.35Å; L128-R130 PolarHBondContact O-N 3.42Å; L128-L131 PolarHBondContact O-N 2.94Å; L128-S132 WeakPolarHBondContact O-CB 3.46Å; L128-S132 PolarHBondContact O-N 3.05Å
129	Q	94.8	Very high	93.9	Very high	124 Å²	124	103.4 Å²	103.4	58%	0.579	51%	0.509	S	S	*	.	H	α-helix	trans	-61.3	-44.1	175.7	-176	-179.9	-1.8	0	0	111.4	A125 T126 S132 Q133	A125-Q129 WeakPolarHBondContact O-CB 3.2Å; A125-Q129 PolarHBondContact O-N 3.46Å; T126-Q129 PolarHBondContact O-N 3.37Å; Q129-S132 PolarHBondContact O-N 2.96Å; Q129-Q133 PolarHBondContact O-N 2.86Å; Q129-Q133 VanDerWaalsContact O-N 3.1Å
130	R	95.3	Very high	94.5	Very high	182 Å²	182	100.1 Å²	100.1	69%	0.687	50%	0.504	S	S	*	.	H	α-helix	trans	-62.2	-44.7	174.8	-178	178.8	176.2	179.3	-1	111.5	T126 K127 L128 S132 Q133 I134	T126-R130 PolarHBondContact O-N 3.13Å; K127-R130 PolarHBondContact O-N 3.4Å; L128-R130 VanDerWaalsContact C-N 3.35Å; L128-R130 PolarHBondContact O-N 3.42Å; R130-S132 VanDerWaalsContact C-N 3.33Å; R130-S132 PolarHBondContact O-N 3.02Å; R130-Q133 PolarHBondContact O-N 2.85Å; R130-I134 HydrophobicContact CG-CD1 4.22Å; R130-I134 WeakPolarHBondContact O-CG1 3.05Å; R130-I134 PolarHBondContact O-N 3.15Å; R130-I134 VanDerWaalsContact O-N 3.11Å
131	L	96.8	Very high	95	Very high	109 Å²	109	103.5 Å²	103.5	57%	0.571	52%	0.518	S	S	*	.	H	α-helix	trans	-62.1	-42.1	178	-170.2	73.5	0	0	0	111.4	K127 L128 Q133 I134 H135	K127-L131 WeakPolarHBondContact O-CB 3.47Å; K127-L131 PolarHBondContact O-N 3.05Å; L128-L131 PolarHBondContact O-N 2.94Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; L131-Q133 PolarHBondContact O-N 2.85Å; L131-I134 PolarHBondContact O-N 3.11Å; L131-I134 VanDerWaalsContact O-N 3.15Å; L131-H135 WeakPolarHBondContact O-CB 3.48Å; L131-H135 PolarHBondContact O-N 3.08Å
132	S	96.1	Very high	95.3	Very high	61 Å²	61	103.9 Å²	103.9	43%	0.427	52%	0.521	S	S	.	.	H	α-helix	trans	-59.8	-42.6	176.6	175.1	0	0	0	0	111.9	L128 Q129 R130 I134 H135 I136	L128-S132 WeakPolarHBondContact O-CB 3.46Å; L128-S132 PolarHBondContact O-N 3.05Å; Q129-S132 PolarHBondContact O-N 2.96Å; R130-S132 VanDerWaalsContact C-N 3.33Å; R130-S132 PolarHBondContact O-N 3.02Å; S132-I134 VanDerWaalsContact C-N 3.34Å; S132-I134 PolarHBondContact O-N 3.37Å; S132-H135 PolarHBondContact O-N 3.48Å; S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.35Å; S132-I136 PolarHBondContact O-N 2.9Å
133	Q	96.3	Very high	95.6	Very high	110 Å²	110	105.4 Å²	105.4	51%	0.514	52%	0.521	S	S	.	.	H	α-helix	trans	-63.8	-38.5	174.8	-72.2	-179	2.9	0	0	113	Q129 R130 L131 K137	Q129-Q133 PolarHBondContact O-N 2.86Å; Q129-Q133 VanDerWaalsContact O-N 3.1Å; R130-Q133 PolarHBondContact O-N 2.85Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; L131-Q133 PolarHBondContact O-N 2.85Å; Q133-K137 WeakPolarHBondContact O-CG 3.27Å; Q133-K137 PolarHBondContact O-N 3.36Å
134	I	96.9	Very high	95.9	Very high	68 Å²	68	103.3 Å²	103.3	35%	0.349	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-47.1	176.1	-66.6	166.8	0	0	0	109.6	R130 L131 S132 I136 K137 E138	R130-I134 HydrophobicContact CG-CD1 4.22Å; R130-I134 WeakPolarHBondContact O-CG1 3.05Å; R130-I134 PolarHBondContact O-N 3.15Å; R130-I134 VanDerWaalsContact O-N 3.11Å; L131-I134 PolarHBondContact O-N 3.11Å; L131-I134 VanDerWaalsContact O-N 3.15Å; S132-I134 VanDerWaalsContact C-N 3.34Å; S132-I134 PolarHBondContact O-N 3.37Å; I134-I136 VanDerWaalsContact C-N 3.32Å; I134-I136 PolarHBondContact O-N 2.8Å; I134-K137 WeakPolarHBondContact O-CB 3.42Å; I134-K137 PolarHBondContact O-N 3.11Å; I134-E138 HydrophobicContact CG2-CG 4.19Å; I134-E138 WeakPolarHBondContact O-CG 3.2Å; I134-E138 PolarHBondContact O-N 2.9Å
135	H	96.9	Very high	96.1	Very high	114 Å²	114	103.7 Å²	103.7	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-59.1	-41.8	180	-175.1	-78.8	0	0	0	112.3	L131 S132 K137 E138 Q139	L131-H135 WeakPolarHBondContact O-CB 3.48Å; L131-H135 PolarHBondContact O-N 3.08Å; S132-H135 PolarHBondContact O-N 3.48Å; H135-K137 VanDerWaalsContact C-N 3.33Å; H135-K137 PolarHBondContact O-N 3.06Å; H135-E138 PolarHBondContact O-N 2.85Å; H135-Q139 VanDerWaalsContact O-CB 3.27Å; H135-Q139 WeakPolarHBondContact O-CB 3.26Å; H135-Q139 PolarHBondContact O-N 3.15Å
136	I	96.9	Very high	96.3	Very high	87 Å²	87	103.9 Å²	103.9	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-59.5	-45.9	175.2	-68.3	163.9	0	0	0	110.4	S132 I134 E138 Q139 D140	S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.35Å; S132-I136 PolarHBondContact O-N 2.9Å; I134-I136 VanDerWaalsContact C-N 3.32Å; I134-I136 PolarHBondContact O-N 2.8Å; I136-E138 PolarHBondContact O-N 3.48Å; I136-Q139 PolarHBondContact O-N 3Å; I136-D140 VanDerWaalsContact O-CG 3.31Å; I136-D140 PolarHBondContact O-N 3.18Å
137	K	96.7	Very high	96.5	Very high	136 Å²	136	104.1 Å²	104.1	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-42.8	178.5	-70.7	177.9	179.4	-177.1	0	112.7	Q133 I134 H135 Q139 D140 Q141	Q133-K137 WeakPolarHBondContact O-CG 3.27Å; Q133-K137 PolarHBondContact O-N 3.36Å; I134-K137 WeakPolarHBondContact O-CB 3.42Å; I134-K137 PolarHBondContact O-N 3.11Å; H135-K137 VanDerWaalsContact C-N 3.33Å; H135-K137 PolarHBondContact O-N 3.06Å; K137-Q139 VanDerWaalsContact C-N 3.3Å; K137-D140 PolarHBondContact O-N 3.25Å; K137-Q141 WeakPolarHBondContact O-CB 3.35Å; K137-Q141 VanDerWaalsContact O-CG 3.3Å; K137-Q141 WeakPolarHBondContact O-CG 3.45Å; K137-Q141 PolarHBondContact O-N 3.36Å
138	E	96.3	Very high	96.6	Very high	110 Å²	110	105.2 Å²	105.2	51%	0.514	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-37.8	178	-73.3	179.8	162	0	0	111.3	I134 H135 I136 Q141 T142	I134-E138 HydrophobicContact CG2-CG 4.19Å; I134-E138 WeakPolarHBondContact O-CG 3.2Å; I134-E138 PolarHBondContact O-N 2.9Å; H135-E138 PolarHBondContact O-N 2.85Å; I136-E138 PolarHBondContact O-N 3.48Å; E138-Q141 PolarHBondContact O-N 3.4Å; E138-T142 VanDerWaalsContact O-CB 3.3Å; E138-T142 WeakPolarHBondContact O-CB 3.5Å; E138-T142 PolarHBondContact O-N 3.31Å; E138-T142 PolarHBondContact O-OG1 2.79Å
139	Q	97.1	Very high	96.7	Very high	111 Å²	111	103.3 Å²	103.3	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-49.2	175.1	-175.9	174.2	-5.7	0	0	111.3	H135 I136 K137 Q141 T142 E143	H135-Q139 VanDerWaalsContact O-CB 3.27Å; H135-Q139 WeakPolarHBondContact O-CB 3.26Å; H135-Q139 PolarHBondContact O-N 3.15Å; I136-Q139 PolarHBondContact O-N 3Å; K137-Q139 VanDerWaalsContact C-N 3.3Å; Q139-Q141 VanDerWaalsContact C-N 3.32Å; Q139-Q141 PolarHBondContact O-N 3.23Å; Q139-T142 PolarHBondContact O-N 3.09Å; Q139-E143 PolarHBondContact O-N 2.9Å
140	D	97.1	Very high	96.8	Very high	96 Å²	96	103.2 Å²	103.2	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-42.3	177.3	-67.2	-17.1	0	0	0	111.6	I136 K137 E143 A144	I136-D140 VanDerWaalsContact O-CG 3.31Å; I136-D140 PolarHBondContact O-N 3.18Å; K137-D140 PolarHBondContact O-N 3.25Å; D140-E143 PolarHBondContact O-N 3.33Å; D140-A144 WeakPolarHBondContact O-CB 3.37Å; D140-A144 PolarHBondContact O-N 3.02Å
141	Q	97.1	Very high	96.9	Very high	119 Å²	119	100.9 Å²	100.9	56%	0.556	51%	0.511	S	S	*	.	H	α-helix	trans	-64.9	-42.8	176.6	-76.2	179.8	0.8	0	0	112.3	K137 E138 Q139 E143 A144 Q145	K137-Q141 WeakPolarHBondContact O-CB 3.35Å; K137-Q141 VanDerWaalsContact O-CG 3.3Å; K137-Q141 WeakPolarHBondContact O-CG 3.45Å; K137-Q141 PolarHBondContact O-N 3.36Å; E138-Q141 PolarHBondContact O-N 3.4Å; Q139-Q141 VanDerWaalsContact C-N 3.32Å; Q139-Q141 PolarHBondContact O-N 3.23Å; Q141-E143 VanDerWaalsContact C-N 3.32Å; Q141-E143 PolarHBondContact O-N 2.97Å; Q141-A144 PolarHBondContact O-N 3.04Å; Q141-Q145 WeakPolarHBondContact O-CB 3.28Å; Q141-Q145 WeakPolarHBondContact O-CG 3.48Å; Q141-Q145 PolarHBondContact O-N 2.8Å
142	T	96.8	Very high	96.9	Very high	91 Å²	91	101.1 Å²	101.1	56%	0.558	51%	0.512	S	S	*	.	H	α-helix	trans	-63.4	-41.7	178.8	-60.1	0	0	0	0	110.7	E138 Q139 S146	E138-T142 VanDerWaalsContact O-CB 3.3Å; E138-T142 WeakPolarHBondContact O-CB 3.5Å; E138-T142 PolarHBondContact O-N 3.31Å; E138-T142 PolarHBondContact O-OG1 2.79Å; Q139-T142 PolarHBondContact O-N 3.09Å; T142-S146 VanDerWaalsContact O-CB 3.28Å; T142-S146 WeakPolarHBondContact O-CB 3.13Å; T142-S146 PolarHBondContact O-N 3.39Å
143	E	97.4	Very high	96.9	Very high	118 Å²	118	104.3 Å²	104.3	55%	0.551	52%	0.519	S	S	*	.	H	α-helix	trans	-64.9	-46	176.1	-174.2	169.9	-165.5	0	0	111.6	Q139 D140 Q141 Q145 S146 L147	Q139-E143 PolarHBondContact O-N 2.9Å; D140-E143 PolarHBondContact O-N 3.33Å; Q141-E143 VanDerWaalsContact C-N 3.32Å; Q141-E143 PolarHBondContact O-N 2.97Å; E143-Q145 PolarHBondContact O-N 2.97Å; E143-S146 WeakPolarHBondContact O-CB 3.2Å; E143-S146 PolarHBondContact O-N 3.11Å; E143-L147 HydrophobicContact CG-CD1 4.31Å; E143-L147 WeakPolarHBondContact O-CG 2.92Å; E143-L147 PolarHBondContact O-N 2.91Å
144	A	97.3	Very high	97	Very high	58 Å²	58	105.3 Å²	105.3	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-59.6	-46.8	177.2	0	0	0	0	0	112.2	D140 Q141 L147 E148	D140-A144 WeakPolarHBondContact O-CB 3.37Å; D140-A144 PolarHBondContact O-N 3.02Å; Q141-A144 PolarHBondContact O-N 3.04Å; A144-L147 PolarHBondContact O-N 3.05Å; A144-E148 PolarHBondContact O-N 3.26Å
145	Q	96.3	Very high	96.9	Very high	119 Å²	119	108 Å²	108	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-63.6	-41.2	176.3	-73.5	178	2.2	0	0	111.7	Q141 E143 L147 E148 V149	Q141-Q145 WeakPolarHBondContact O-CB 3.28Å; Q141-Q145 WeakPolarHBondContact O-CG 3.48Å; Q141-Q145 PolarHBondContact O-N 2.8Å; E143-Q145 PolarHBondContact O-N 2.97Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 2.87Å; Q145-E148 PolarHBondContact O-N 3.34Å; Q145-V149 WeakPolarHBondContact O-CB 3.21Å; Q145-V149 VanDerWaalsContact O-CG2 3.3Å; Q145-V149 WeakPolarHBondContact O-CG2 3.33Å; Q145-V149 PolarHBondContact O-N 3.49Å
146	S	97.3	Very high	97	Very high	55 Å²	55	108.7 Å²	108.7	39%	0.385	53%	0.533	S	S	.	.	H	α-helix	trans	-60.5	-41.2	176.4	-170	0	0	0	0	111.7	T142 E143 K150	T142-S146 VanDerWaalsContact O-CB 3.28Å; T142-S146 WeakPolarHBondContact O-CB 3.13Å; T142-S146 PolarHBondContact O-N 3.39Å; E143-S146 WeakPolarHBondContact O-CB 3.2Å; E143-S146 PolarHBondContact O-N 3.11Å; S146-K150 WeakPolarHBondContact O-CB 3.44Å; S146-K150 VanDerWaalsContact O-CG 3.29Å; S146-K150 WeakPolarHBondContact O-CG 3.3Å; S146-K150 PolarHBondContact O-N 3.21Å
147	L	97.4	Very high	96.9	Very high	90 Å²	90	109.1 Å²	109.1	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-66.5	-41.4	176.2	-72.2	169.3	0	0	0	112.3	E143 A144 Q145 K150 K151	E143-L147 HydrophobicContact CG-CD1 4.31Å; E143-L147 WeakPolarHBondContact O-CG 2.92Å; E143-L147 PolarHBondContact O-N 2.91Å; A144-L147 PolarHBondContact O-N 3.05Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 2.87Å; L147-K150 PolarHBondContact O-N 2.83Å; L147-K151 WeakPolarHBondContact O-CG 3.24Å; L147-K151 PolarHBondContact O-N 2.83Å
148	E	97.2	Very high	96.9	Very high	136 Å²	136	109.7 Å²	109.7	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-63	-46.5	176.5	-171.7	179.7	-174.5	0	0	111.6	A144 Q145 K150 K151 L152	A144-E148 PolarHBondContact O-N 3.26Å; Q145-E148 PolarHBondContact O-N 3.34Å; E148-K150 VanDerWaalsContact C-N 3.33Å; E148-K150 PolarHBondContact O-N 3.43Å; E148-K151 WeakPolarHBondContact O-CB 3.09Å; E148-K151 PolarHBondContact O-N 3.22Å; E148-L152 PolarHBondContact O-N 2.82Å
149	V	97.3	Very high	96.9	Very high	76 Å²	76	109.9 Å²	109.9	46%	0.461	54%	0.541	S	S	.	.	H	α-helix	trans	-60.5	-43.4	176.6	170.3	0	0	0	0	110.9	Q145 K151 L152 F153	Q145-V149 WeakPolarHBondContact O-CB 3.21Å; Q145-V149 VanDerWaalsContact O-CG2 3.3Å; Q145-V149 WeakPolarHBondContact O-CG2 3.33Å; Q145-V149 PolarHBondContact O-N 3.49Å; V149-K151 PolarHBondContact O-N 3.48Å; V149-L152 PolarHBondContact O-N 2.97Å; V149-F153 HydrophobicContact CG1-CD2 3.67Å; V149-F153 HydrophobicContact CG1-CE2 3.55Å; V149-F153 VanDerWaalsContact O-CD2 3.24Å; V149-F153 WeakPolarHBondContact O-CD2 3.31Å; V149-F153 PolarHBondContact O-N 3.26Å
150	K	97	Very high	96.8	Very high	122 Å²	122	108.2 Å²	108.2	53%	0.53	53%	0.534	S	S	.	.	H	α-helix	trans	-59.3	-45.7	175.3	-77.6	174.4	-177.5	176	0	112.1	S146 L147 E148 L152 F153 E154	S146-K150 WeakPolarHBondContact O-CB 3.44Å; S146-K150 VanDerWaalsContact O-CG 3.29Å; S146-K150 WeakPolarHBondContact O-CG 3.3Å; S146-K150 PolarHBondContact O-N 3.21Å; L147-K150 PolarHBondContact O-N 2.83Å; E148-K150 VanDerWaalsContact C-N 3.33Å; E148-K150 PolarHBondContact O-N 3.43Å; K150-L152 VanDerWaalsContact C-N 3.33Å; K150-L152 PolarHBondContact O-N 3.05Å; K150-F153 PolarHBondContact O-N 2.9Å; K150-E154 WeakPolarHBondContact O-CG 3.35Å; K150-E154 PolarHBondContact O-N 3.26Å
151	K	97	Very high	96.8	Very high	132 Å²	132	110.4 Å²	110.4	57%	0.574	54%	0.54	S	S	*	.	H	α-helix	trans	-60.1	-43.7	176.1	-73.9	176.2	-178.4	177.8	0	111.8	L147 E148 V149 F153 E154 E155	L147-K151 WeakPolarHBondContact O-CG 3.24Å; L147-K151 PolarHBondContact O-N 2.83Å; E148-K151 WeakPolarHBondContact O-CB 3.09Å; E148-K151 PolarHBondContact O-N 3.22Å; V149-K151 PolarHBondContact O-N 3.48Å; K151-F153 VanDerWaalsContact C-N 3.31Å; K151-F153 PolarHBondContact O-N 3.43Å; K151-E154 WeakPolarHBondContact O-CB 3.39Å; K151-E154 PolarHBondContact O-N 3.49Å; K151-E154 VanDerWaalsContact O-N 3.14Å; K151-E155 WeakPolarHBondContact O-CG 3.35Å; K151-E155 PolarHBondContact O-N 2.75Å
152	L	97.1	Very high	96.8	Very high	115 Å²	115	109.4 Å²	109.4	60%	0.602	54%	0.538	S	S	*	.	H	α-helix	trans	-62.4	-40.1	178.2	-169.8	67.1	0	0	0	111.7	E148 V149 K150 E155 Y156	E148-L152 PolarHBondContact O-N 2.82Å; V149-L152 PolarHBondContact O-N 2.97Å; K150-L152 VanDerWaalsContact C-N 3.33Å; K150-L152 PolarHBondContact O-N 3.05Å; L152-E155 PolarHBondContact O-N 2.93Å; L152-Y156 VanDerWaalsContact O-CB 3.32Å; L152-Y156 WeakPolarHBondContact O-CB 3.43Å; L152-Y156 PolarHBondContact O-N 3.12Å
153	F	96.6	Very high	96.7	Very high	127 Å²	127	108.6 Å²	108.6	56%	0.557	53%	0.529	S	S	*	.	H	α-helix	trans	-63.9	-40.4	172.9	-86.8	-67.1	0	0	0	112.6	V149 K150 K151 Y156 N157	V149-F153 HydrophobicContact CG1-CD2 3.67Å; V149-F153 HydrophobicContact CG1-CE2 3.55Å; V149-F153 VanDerWaalsContact O-CD2 3.24Å; V149-F153 WeakPolarHBondContact O-CD2 3.31Å; V149-F153 PolarHBondContact O-N 3.26Å; K150-F153 PolarHBondContact O-N 2.9Å; K151-F153 VanDerWaalsContact C-N 3.31Å; K151-F153 PolarHBondContact O-N 3.43Å; F153-Y156 PolarHBondContact O-N 3.1Å; F153-N157 VanDerWaalsContact O-CB 3.28Å; F153-N157 WeakPolarHBondContact O-CB 3.42Å; F153-N157 PolarHBondContact O-N 2.69Å; F153-N157 PolarHBondContact O-ND2 3.1Å
154	E	96.8	Very high	96.7	Very high	132 Å²	132	106 Å²	106	62%	0.617	52%	0.524	S	S	*	.	H	α-helix	trans	-62.6	-44.6	175.5	-73	173.2	-175.3	0	0	111.8	K150 K151 N157 K158	K150-E154 WeakPolarHBondContact O-CG 3.35Å; K150-E154 PolarHBondContact O-N 3.26Å; K151-E154 WeakPolarHBondContact O-CB 3.39Å; K151-E154 PolarHBondContact O-N 3.49Å; K151-E154 VanDerWaalsContact O-N 3.14Å; E154-N157 PolarHBondContact O-N 3.38Å; E154-K158 WeakPolarHBondContact O-CB 3.42Å; E154-K158 PolarHBondContact O-N 2.82Å
155	E	96.3	Very high	96.5	Very high	124 Å²	124	108.7 Å²	108.7	58%	0.579	53%	0.525	S	S	*	.	H	α-helix	trans	-64.3	-44.9	176.6	-72.7	-179.8	-177.2	0	0	112	K151 L152 K158 M159	K151-E155 WeakPolarHBondContact O-CG 3.35Å; K151-E155 PolarHBondContact O-N 2.75Å; L152-E155 PolarHBondContact O-N 2.93Å; E155-K158 PolarHBondContact O-N 2.9Å; E155-M159 WeakPolarHBondContact O-CB 3.29Å; E155-M159 PolarHBondContact O-N 2.81Å
156	Y	97.2	Very high	96.5	Very high	128 Å²	128	106.4 Å²	106.4	50%	0.502	51%	0.514	S	S	.	.	H	α-helix	trans	-60.1	-48.3	175.4	176	-98.5	0	0	0	111.5	L152 F153 K158 M159 M160	L152-Y156 VanDerWaalsContact O-CB 3.32Å; L152-Y156 WeakPolarHBondContact O-CB 3.43Å; L152-Y156 PolarHBondContact O-N 3.12Å; F153-Y156 PolarHBondContact O-N 3.1Å; Y156-K158 VanDerWaalsContact C-N 3.3Å; Y156-K158 PolarHBondContact O-N 3.15Å; Y156-M159 PolarHBondContact O-N 3.25Å; Y156-M160 HydrophobicContact CD1-CG 4.24Å; Y156-M160 HydrophobicContact CD2-CG 4.38Å; Y156-M160 HydrophobicContact CE1-CG 3.71Å; Y156-M160 HydrophobicContact CE2-CG 3.87Å; Y156-M160 HydrophobicContact CE2-SD 4.32Å; Y156-M160 VanDerWaalsContact CZ-CG 3.5Å; Y156-M160 WeakPolarHBondContact O-CB 3.28Å; Y156-M160 PolarHBondContact O-N 2.78Å
157	N	96.3	Very high	96.4	Very high	97 Å²	97	109.6 Å²	109.6	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-60.3	-41.1	178	-77	-25	0	0	0	111.6	F153 E154 M160 F161	F153-N157 VanDerWaalsContact O-CB 3.28Å; F153-N157 WeakPolarHBondContact O-CB 3.42Å; F153-N157 PolarHBondContact O-N 2.69Å; F153-N157 PolarHBondContact O-ND2 3.1Å; E154-N157 PolarHBondContact O-N 3.38Å; N157-M160 PolarHBondContact O-N 3.31Å; N157-F161 WeakPolarHBondContact O-CB 3.24Å; N157-F161 PolarHBondContact O-N 3.46Å
158	K	96.6	Very high	96.2	Very high	148 Å²	148	109.6 Å²	109.6	64%	0.643	53%	0.526	S	S	*	.	H	α-helix	trans	-64.5	-43.7	176.3	-172.1	177.2	-178.6	-179.7	0	111.8	E154 E155 Y156 F161 L162	E154-K158 WeakPolarHBondContact O-CB 3.42Å; E154-K158 PolarHBondContact O-N 2.82Å; E155-K158 PolarHBondContact O-N 2.9Å; Y156-K158 VanDerWaalsContact C-N 3.3Å; Y156-K158 PolarHBondContact O-N 3.15Å; K158-F161 PolarHBondContact O-N 3.47Å; K158-L162 HydrophobicContact CG-CD1 4.4Å; K158-L162 WeakPolarHBondContact O-CG 3.44Å; K158-L162 PolarHBondContact O-N 2.92Å
159	M	96.1	Very high	96.1	Very high	113 Å²	113	107.1 Å²	107.1	56%	0.557	51%	0.514	S	S	*	.	H	α-helix	trans	-63.1	-46.5	177.3	-168.9	-169.1	-44.7	0	0	111.4	E155 Y156 F161 L162 L163	E155-M159 WeakPolarHBondContact O-CB 3.29Å; E155-M159 PolarHBondContact O-N 2.81Å; Y156-M159 PolarHBondContact O-N 3.25Å; M159-F161 PolarHBondContact O-N 3.49Å; M159-L162 PolarHBondContact O-N 3.36Å; M159-L163 HydrophobicContact CG-CD1 4.12Å; M159-L163 WeakPolarHBondContact O-CB 3.27Å; M159-L163 WeakPolarHBondContact O-CG 3.46Å; M159-L163 PolarHBondContact O-N 3.28Å
160	M	95.7	Very high	96	Very high	76 Å²	76	110.3 Å²	110.3	37%	0.374	52%	0.518	S	S	.	.	H	α-helix	trans	-60.9	-43.3	176.7	-78.9	-54.7	-56.3	0	0	112	Y156 N157 L162 L163 S164	Y156-M160 HydrophobicContact CD1-CG 4.24Å; Y156-M160 HydrophobicContact CD2-CG 4.38Å; Y156-M160 HydrophobicContact CE1-CG 3.71Å; Y156-M160 HydrophobicContact CE2-CG 3.87Å; Y156-M160 HydrophobicContact CE2-SD 4.32Å; Y156-M160 VanDerWaalsContact CZ-CG 3.5Å; Y156-M160 WeakPolarHBondContact O-CB 3.28Å; Y156-M160 PolarHBondContact O-N 2.78Å; N157-M160 PolarHBondContact O-N 3.31Å; M160-L162 PolarHBondContact O-N 2.97Å; M160-L163 PolarHBondContact O-N 3.13Å; M160-L163 HydrophobicContact SD-CD1 4.38Å; M160-S164 PolarHBondContact O-N 3.06Å; M160-S164 PolarHBondContact O-OG 3.43Å
161	F	96.1	Very high	95.9	Very high	143 Å²	143	109 Å²	109	63%	0.627	52%	0.517	S	S	*	.	H	α-helix	trans	-60.7	-44.7	176	179.5	-98.4	0	0	0	112.3	N157 K158 M159 S164 K165	N157-F161 WeakPolarHBondContact O-CB 3.24Å; N157-F161 PolarHBondContact O-N 3.46Å; K158-F161 PolarHBondContact O-N 3.47Å; M159-F161 PolarHBondContact O-N 3.49Å; F161-S164 PolarHBondContact O-N 3.39Å; F161-K165 WeakPolarHBondContact O-CB 3.39Å; F161-K165 PolarHBondContact O-N 3.07Å
162	L	96.4	Very high	95.6	Very high	98 Å²	98	107.5 Å²	107.5	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-42.5	177.3	-71.9	171.8	0	0	0	111.9	K158 M159 M160 K165 Q166	K158-L162 HydrophobicContact CG-CD1 4.4Å; K158-L162 WeakPolarHBondContact O-CG 3.44Å; K158-L162 PolarHBondContact O-N 2.92Å; M159-L162 PolarHBondContact O-N 3.36Å; M160-L162 PolarHBondContact O-N 2.97Å; L162-K165 PolarHBondContact O-N 3.06Å; L162-Q166 WeakPolarHBondContact O-CB 3.37Å; L162-Q166 PolarHBondContact O-N 2.78Å
163	L	95.8	Very high	95.4	Very high	73 Å²	73	105.1 Å²	105.1	38%	0.382	51%	0.505	S	S	.	.	H	α-helix	trans	-60.6	-48.7	175.1	-81.4	163.6	0	0	0	111.4	M159 M160 K165 Q166 F167	M159-L163 HydrophobicContact CG-CD1 4.12Å; M159-L163 WeakPolarHBondContact O-CB 3.27Å; M159-L163 WeakPolarHBondContact O-CG 3.46Å; M159-L163 PolarHBondContact O-N 3.28Å; M160-L163 PolarHBondContact O-N 3.13Å; M160-L163 HydrophobicContact SD-CD1 4.38Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.35Å; L163-Q166 PolarHBondContact O-N 3.44Å; L163-Q166 VanDerWaalsContact O-N 3.15Å; L163-F167 HydrophobicContact CB-CE2 4.39Å; L163-F167 HydrophobicContact CD2-CE2 4.35Å; L163-F167 WeakPolarHBondContact O-CD2 3.3Å; L163-F167 PolarHBondContact O-N 2.81Å
164	S	96.1	Very high	95.2	Very high	64 Å²	64	103.8 Å²	103.8	45%	0.448	50%	0.503	S	S	.	.	H	α-helix	trans	-56.9	-45.6	176	-67	0	0	0	0	111.6	M160 F161 Q166 F167 T168	M160-S164 PolarHBondContact O-N 3.06Å; M160-S164 PolarHBondContact O-OG 3.43Å; F161-S164 PolarHBondContact O-N 3.39Å; S164-Q166 VanDerWaalsContact C-N 3.35Å; S164-Q166 PolarHBondContact O-N 2.8Å; S164-F167 PolarHBondContact O-N 3.24Å; S164-T168 PolarHBondContact O-N 2.91Å; S164-T168 PolarHBondContact O-OG1 3Å; S164-T168 VanDerWaalsContact O-OG1 3.05Å
165	K	94.9	Very high	94.8	Very high	114 Å²	114	104.9 Å²	104.9	50%	0.496	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-42.1	176.5	-174	179.3	178.3	-178.3	0	112	F161 L162 L163 T168 Q169	F161-K165 WeakPolarHBondContact O-CB 3.39Å; F161-K165 PolarHBondContact O-N 3.07Å; L162-K165 PolarHBondContact O-N 3.06Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.35Å; K165-T168 PolarHBondContact O-N 3.16Å; K165-Q169 WeakPolarHBondContact O-CG 3.36Å; K165-Q169 PolarHBondContact O-N 2.84Å
166	Q	94.9	Very high	94.5	Very high	71 Å²	71	104.5 Å²	104.5	33%	0.332	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-41.5	179	-169.1	61.1	46	0	0	111.5	L162 L163 S164 Q169 W170	L162-Q166 WeakPolarHBondContact O-CB 3.37Å; L162-Q166 PolarHBondContact O-N 2.78Å; L163-Q166 PolarHBondContact O-N 3.44Å; L163-Q166 VanDerWaalsContact O-N 3.15Å; S164-Q166 VanDerWaalsContact C-N 3.35Å; S164-Q166 PolarHBondContact O-N 2.8Å; Q166-Q169 PolarHBondContact O-N 3.3Å; Q166-W170 HydrophobicContact CG-CD2 3.99Å; Q166-W170 HydrophobicContact CG-CE3 4.22Å; Q166-W170 HydrophobicContact CG-CH2 3.96Å; Q166-W170 HydrophobicContact CG-CZ2 3.72Å; Q166-W170 HydrophobicContact CG-CZ3 4.2Å; Q166-W170 VanDerWaalsContact NE2-CE2 3.35Å; Q166-W170 WeakPolarHBondContact O-CB 3.46Å; Q166-W170 PolarHBondContact O-N 3.33Å
167	F	95	Very high	94.1	Very high	122 Å²	122	102.2 Å²	102.2	54%	0.535	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-44.1	174.7	-75.4	-56.1	0	0	0	111.9	L163 S164 Q169 W170 D171	L163-F167 HydrophobicContact CB-CE2 4.39Å; L163-F167 HydrophobicContact CD2-CE2 4.35Å; L163-F167 WeakPolarHBondContact O-CD2 3.3Å; L163-F167 PolarHBondContact O-N 2.81Å; S164-F167 PolarHBondContact O-N 3.24Å; F167-Q169 VanDerWaalsContact C-N 3.34Å; F167-Q169 PolarHBondContact O-N 3.42Å; F167-W170 AromaticContact CD1-CE3 3.84Å; F167-W170 HydrophobicContact CD1-CE3 3.84Å; F167-W170 HydrophobicContact CD1-CZ3 4.09Å; F167-W170 HydrophobicContact CE1-CE3 4.1Å; F167-W170 AromaticContact CE1-CZ3 3.9Å; F167-W170 HydrophobicContact CE1-CZ3 3.9Å; F167-W170 PolarHBondContact O-N 3.43Å; F167-D171 WeakPolarHBondContact O-CB 3.37Å; F167-D171 PolarHBondContact O-N 2.86Å
168	T	94.5	Very high	93.6	Very high	91 Å²	91	102 Å²	102	56%	0.558	49%	0.493	S	S	*	.	H	α-helix	trans	-62.4	-40.5	175.3	-50.3	0	0	0	0	112.1	S164 K165 D171 E172	S164-T168 PolarHBondContact O-N 2.91Å; S164-T168 PolarHBondContact O-OG1 3Å; S164-T168 VanDerWaalsContact O-OG1 3.05Å; K165-T168 PolarHBondContact O-N 3.16Å; T168-D171 PolarHBondContact O-N 3.43Å; T168-E172 WeakPolarHBondContact O-CB 3.28Å; T168-E172 PolarHBondContact O-N 3.47Å
169	Q	94.2	Very high	93	Very high	84 Å²	84	100.6 Å²	100.6	39%	0.393	49%	0.489	S	S	.	.	H	α-helix	trans	-65.9	-40.1	176.7	-75	-178	-6.5	0	0	112.7	K165 Q166 F167 S173	K165-Q169 WeakPolarHBondContact O-CG 3.36Å; K165-Q169 PolarHBondContact O-N 2.84Å; Q166-Q169 PolarHBondContact O-N 3.3Å; F167-Q169 VanDerWaalsContact C-N 3.34Å; F167-Q169 PolarHBondContact O-N 3.42Å; Q169-S173 WeakPolarHBondContact O-CB 3.3Å; Q169-S173 PolarHBondContact O-N 3.11Å; Q169-S173 PolarHBondContact O-OG 2.92Å
170	W	95.1	Very high	92.2	Very high	142 Å²	142	99.5 Å²	99.5	54%	0.538	50%	0.497	S	S	.	.	H	α-helix	trans	-65.3	-42.4	174.6	-74.9	-22.7	0	0	0	111.7	Q166 F167 S173 L174	Q166-W170 HydrophobicContact CG-CD2 3.99Å; Q166-W170 HydrophobicContact CG-CE3 4.22Å; Q166-W170 HydrophobicContact CG-CH2 3.96Å; Q166-W170 HydrophobicContact CG-CZ2 3.72Å; Q166-W170 HydrophobicContact CG-CZ3 4.2Å; Q166-W170 VanDerWaalsContact NE2-CE2 3.35Å; Q166-W170 WeakPolarHBondContact O-CB 3.46Å; Q166-W170 PolarHBondContact O-N 3.33Å; F167-W170 AromaticContact CD1-CE3 3.84Å; F167-W170 HydrophobicContact CD1-CE3 3.84Å; F167-W170 HydrophobicContact CD1-CZ3 4.09Å; F167-W170 HydrophobicContact CE1-CE3 4.1Å; F167-W170 AromaticContact CE1-CZ3 3.9Å; F167-W170 HydrophobicContact CE1-CZ3 3.9Å; F167-W170 PolarHBondContact O-N 3.43Å; W170-S173 PolarHBondContact O-N 2.77Å; W170-L174 WeakPolarHBondContact O-CB 3.23Å; W170-L174 PolarHBondContact O-N 2.95Å
171	D	94.3	Very high	91.3	Very high	95 Å²	95	103.3 Å²	103.3	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-44.5	176.3	-168	43.2	0	0	0	111.9	F167 T168 S173 L174 R175	F167-D171 WeakPolarHBondContact O-CB 3.37Å; F167-D171 PolarHBondContact O-N 2.86Å; T168-D171 PolarHBondContact O-N 3.43Å; D171-S173 VanDerWaalsContact C-N 3.33Å; D171-S173 PolarHBondContact O-N 3.38Å; D171-L174 PolarHBondContact O-N 3.14Å; D171-R175 PolarHBondContact O-N 2.91Å
172	E	92.6	Very high	89.6	Confident	101 Å²	101	99.6 Å²	99.6	47%	0.472	51%	0.514	S	S	.	.	H	α-helix	trans	-63.6	-39.1	175	-164.5	-168.2	156.2	0	0	112.2	T168 K176	T168-E172 WeakPolarHBondContact O-CB 3.28Å; T168-E172 PolarHBondContact O-N 3.47Å; E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 2.8Å; E172-K176 VanDerWaalsContact O-N 3.09Å; E172-K176 VanDerWaalsContact OE1-CE 3.3Å; E172-K176 WeakPolarHBondContact OE1-CE 3.48Å; E172-K176 IonicContact OE1-NZ 3.82Å; E172-K176 PolarHBondContact OE1-NZ 3.42Å
173	S	91.9	Very high	87.9	Confident	65 Å²	65	100 Å²	100	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-68.2	-40.6	177.4	-59.5	0	0	0	0	111.8	Q169 W170 D171 K176 V177	Q169-S173 WeakPolarHBondContact O-CB 3.3Å; Q169-S173 PolarHBondContact O-N 3.11Å; Q169-S173 PolarHBondContact O-OG 2.92Å; W170-S173 PolarHBondContact O-N 2.77Å; D171-S173 VanDerWaalsContact C-N 3.33Å; D171-S173 PolarHBondContact O-N 3.38Å; S173-K176 PolarHBondContact O-N 3.44Å; S173-V177 WeakPolarHBondContact O-CG2 3.48Å; S173-V177 PolarHBondContact O-N 3.38Å
174	L	91.8	Very high	85.4	Confident	98 Å²	98	106 Å²	106	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-60.4	-50.3	173.3	-97.6	159.9	0	0	0	110.8	W170 D171 K176 V177 E178	W170-L174 WeakPolarHBondContact O-CB 3.23Å; W170-L174 PolarHBondContact O-N 2.95Å; D171-L174 PolarHBondContact O-N 3.14Å; L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 2.77Å; L174-V177 PolarHBondContact O-N 3.49Å; L174-E178 WeakPolarHBondContact O-CG 3.23Å; L174-E178 PolarHBondContact O-N 3.49Å
175	R	89.6	Confident	83	Confident	155 Å²	155	111.7 Å²	111.7	59%	0.585	55%	0.553	S	S	*	*	H	α-helix	trans	-53.7	-45.7	175.9	-90.8	-176.2	160.4	-173.1	-4.1	112.9	D171 V177 E178 E179	D171-R175 PolarHBondContact O-N 2.91Å; R175-V177 VanDerWaalsContact C-N 3.32Å; R175-V177 PolarHBondContact O-N 3.23Å; R175-E178 PolarHBondContact O-N 2.87Å; R175-E179 WeakPolarHBondContact O-CB 3.28Å; R175-E179 WeakPolarHBondContact O-CG 3.44Å; R175-E179 PolarHBondContact O-N 3.48Å
176	K	89.4	Confident	80.7	Confident	117 Å²	117	112.5 Å²	112.5	51%	0.509	57%	0.567	S	S	.	*	H	α-helix	trans	-60.6	-40.3	177.5	-74.5	171.6	-174.2	163.9	0	112.4	E172 S173 L174 A180	E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 2.8Å; E172-K176 VanDerWaalsContact O-N 3.09Å; E172-K176 VanDerWaalsContact OE1-CE 3.3Å; E172-K176 WeakPolarHBondContact OE1-CE 3.48Å; E172-K176 IonicContact OE1-NZ 3.82Å; E172-K176 PolarHBondContact OE1-NZ 3.42Å; S173-K176 PolarHBondContact O-N 3.44Å; L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 2.77Å; K176-A180 VanDerWaalsContact O-CB 3.3Å; K176-A180 WeakPolarHBondContact O-CB 3.25Å; K176-A180 PolarHBondContact O-N 3.33Å
177	V	88.1	Confident	78	Confident	80 Å²	80	121.4 Å²	121.4	49%	0.485	61%	0.609	S	S	.	*	H	α-helix	trans	-71.2	-38.9	178.4	173	0	0	0	0	111.3	S173 L174 R175 A180 K181	S173-V177 WeakPolarHBondContact O-CG2 3.48Å; S173-V177 PolarHBondContact O-N 3.38Å; L174-V177 PolarHBondContact O-N 3.49Å; R175-V177 VanDerWaalsContact C-N 3.32Å; R175-V177 PolarHBondContact O-N 3.23Å; V177-A180 PolarHBondContact O-N 2.81Å; V177-K181 WeakPolarHBondContact O-CB 3.34Å; V177-K181 PolarHBondContact O-N 3.43Å
178	E	85.9	Confident	77.1	Confident	93 Å²	93	121.4 Å²	121.4	44%	0.435	61%	0.613	S	S	.	*	H	α-helix	trans	-64.5	-45.3	176	-72.2	172.6	166.1	0	0	111.8	L174 R175 K181 G182 I183	L174-E178 WeakPolarHBondContact O-CG 3.23Å; L174-E178 PolarHBondContact O-N 3.49Å; R175-E178 PolarHBondContact O-N 2.87Å; E178-K181 PolarHBondContact O-N 3.04Å; E178-G182 PolarHBondContact O-N 3.34Å; E178-G182 VanDerWaalsContact O-N 3.17Å; E178-I183 PolarHBondContact O-N 3.31Å; E178-I183 VanDerWaalsContact O-N 3.14Å
179	E	84	Confident	76.2	Confident	117 Å²	117	122.9 Å²	122.9	55%	0.547	62%	0.615	S	S	.	*	H	α-helix	trans	-62.1	-43.6	174.4	-74.8	-173.7	155.6	0	0	111.9	R175 K181 G182 R184	R175-E179 WeakPolarHBondContact O-CB 3.28Å; R175-E179 WeakPolarHBondContact O-CG 3.44Å; R175-E179 PolarHBondContact O-N 3.48Å; E179-K181 VanDerWaalsContact C-N 3.28Å; E179-K181 PolarHBondContact O-N 3.27Å; E179-G182 PolarHBondContact O-N 3.07Å; E179-G182 VanDerWaalsContact O-N 3.08Å; E179-R184 IonicContact OE1-NH2 3.52Å
180	A	80.8	Confident	75.2	Confident	90 Å²	90	125.1 Å²	125.1	74%	0.744	63%	0.628	S	S	*	*	H	α-helix	trans	-65.1	-30	177.5	0	0	0	0	0	113.2	K176 V177 G182	K176-A180 VanDerWaalsContact O-CB 3.3Å; K176-A180 WeakPolarHBondContact O-CB 3.25Å; K176-A180 PolarHBondContact O-N 3.33Å; V177-A180 PolarHBondContact O-N 2.81Å; A180-G182 VanDerWaalsContact C-N 3.32Å
181	K	76.6	Confident	74	Confident	156 Å²	156	124.1 Å²	124.1	68%	0.678	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-2.2	174.7	-76.4	-173.5	175.4	-177.1	0	113.5	V177 E178 E179 I183	V177-K181 WeakPolarHBondContact O-CB 3.34Å; V177-K181 PolarHBondContact O-N 3.43Å; E178-K181 PolarHBondContact O-N 3.04Å; E179-K181 VanDerWaalsContact C-N 3.28Å; E179-K181 PolarHBondContact O-N 3.27Å; K181-I183 HydrophobicContact CB-CD1 4.17Å; K181-I183 HydrophobicContact CB-CG1 4.17Å; K181-I183 PolarHBondContact O-N 3.12Å
182	G	59.5	Low	72.7	Confident	66 Å²	66	125.9 Å²	125.9	68%	0.68	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.7	12.3	-179.5	0	0	0	0	0	114.1	E178 E179 A180 R184	E178-G182 PolarHBondContact O-N 3.34Å; E178-G182 VanDerWaalsContact O-N 3.17Å; E179-G182 PolarHBondContact O-N 3.07Å; E179-G182 VanDerWaalsContact O-N 3.08Å; A180-G182 VanDerWaalsContact C-N 3.32Å; G182-R184 VanDerWaalsContact C-N 3.32Å; G182-R184 PolarHBondContact O-N 2.94Å
183	I	60.1	Low	71.4	Confident	107 Å²	107	127.6 Å²	127.6	55%	0.549	65%	0.652	S	S	.	*			trans	-90.4	75.3	177.7	-51.6	171.3	0	0	0	106.4	E178 K181	E178-I183 PolarHBondContact O-N 3.31Å; E178-I183 VanDerWaalsContact O-N 3.14Å; K181-I183 HydrophobicContact CB-CD1 4.17Å; K181-I183 HydrophobicContact CB-CG1 4.17Å; K181-I183 PolarHBondContact O-N 3.12Å
184	R	45.2	Very low	70	Confident	197 Å²	197	132.1 Å²	132.1	74%	0.743	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-77.4	119.4	159.4	-103.1	-175	-176.1	170.9	3	107.8	E179 G182	E179-R184 IonicContact OE1-NH2 3.52Å; G182-R184 VanDerWaalsContact C-N 3.32Å; G182-R184 PolarHBondContact O-N 2.94Å
185	Q	44.1	Very low	68.3	Low	184 Å²	184	134.7 Å²	134.7	86%	0.86	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-89.2	131.4	143.9	-72.4	-164.2	-12.3	0	0	108.1
186	V	47.3	Very low	66.5	Low	132 Å²	132	133 Å²	133	80%	0.8	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-74.1	116.9	175.2	175.3	0	0	0	0	107.7
187	E	37.2	Very low	64.4	Low	257 Å²	257	134.5 Å²	134.5	100%	1.201	70%	0.702	S	S	*	*				173.9	0	129.4	-92.3	-178.8	177.5	0	0	110.1

Retrieved 187 of 187 residues in 34.6 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).