A0A0G2JRV9_HUMAN Loading...

Cytoplasmic FMR1 interacting protein 1

AlphaFold DB , UniProt , Accession A0A0G2JRV9, Species HUMAN (Homo sapiens, Human), Gene CYFIP1, Length 161 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	42.9	Very low	74.9	Confident	245 Å²	245	120.3 Å²	120.3	100%	1.207	69%	0.685	S	S	*	*				0	101.5	0	-77	-177.2	-90.1	0	0	106.9	A3	M1-A3 PolarHBondContact O-N 3.4Å
2	A	52	Low	75.9	Confident	104 Å²	104	115.6 Å²	115.6	86%	0.86	67%	0.665	S	S	*	*			trans	-76.1	117	174.2	0	0	0	0	0	107.3	Q4	A2-Q4 PolarHBondContact O-N 3.32Å
3	A	64	Low	76.7	Confident	92 Å²	92	114 Å²	114	76%	0.76	65%	0.653	S	S	*	*			trans	-62.5	122.9	175.8	0	0	0	0	0	108.4	M1 V5	M1-A3 PolarHBondContact O-N 3.4Å; A3-V5 PolarHBondContact O-N 3.41Å; A3-V5 VanDerWaalsContact O-N 3.12Å
4	Q	71.6	Confident	77.5	Confident	190 Å²	190	112.1 Å²	112.1	89%	0.888	64%	0.644	S	S	*	*			trans	-67.1	108	171.4	-86.2	179	-32.7	0	0	107.6	A2 T6	A2-Q4 PolarHBondContact O-N 3.32Å; Q4-T6 PolarHBondContact O-N 3.31Å
5	V	77.1	Confident	78.2	Confident	105 Å²	105	111.3 Å²	111.3	64%	0.636	64%	0.637	S	S	*	*			trans	-66.6	123.7	172.2	-179.5	0	0	0	0	107.5	A3 D9	A3-V5 PolarHBondContact O-N 3.41Å; A3-V5 VanDerWaalsContact O-N 3.12Å; V5-D9 HydrophobicContact CG1-CB 3.92Å
6	T	83.6	Confident	78.7	Confident	72 Å²	72	110.6 Å²	110.6	44%	0.442	63%	0.63	S	S	.	*			trans	-78.3	158.3	178.9	69.3	0	0	0	0	110.2	Q4 E8 D9 A10	Q4-T6 PolarHBondContact O-N 3.31Å; T6-E8 PolarHBondContact O-N 3.11Å; T6-D9 PolarHBondContact N-OD2 3.32Å; T6-D9 PolarHBondContact O-N 2.9Å; T6-D9 PolarHBondContact OG1-N 3.12Å; T6-D9 PolarHBondContact OG1-OD2 3.45Å; T6-A10 PolarHBondContact O-N 2.8Å; T6-A10 VanDerWaalsContact O-N 3.11Å
7	L	85	Confident	79	Confident	133 Å²	133	110.8 Å²	110.8	70%	0.696	63%	0.628	S	S	*	*	H	α-helix	trans	-58	-34.5	176.8	178.7	63.7	0	0	0	111.5	A10 L11	L7-A10 WeakPolarHBondContact O-CB 3.36Å; L7-A10 PolarHBondContact O-N 3.25Å; L7-L11 HydrophobicContact CG-CD1 4.18Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 2.65Å
8	E	87.6	Confident	79.2	Confident	160 Å²	160	114.4 Å²	114.4	75%	0.748	64%	0.639	S	S	*	*	H	α-helix	trans	-69.9	-39	-178.7	-152.3	150.7	-164	0	0	111.4	T6 A10 L11 S12	T6-E8 PolarHBondContact O-N 3.11Å; E8-A10 VanDerWaalsContact C-N 3.31Å; E8-A10 PolarHBondContact O-N 3.14Å; E8-L11 PolarHBondContact O-N 3.5Å; E8-S12 WeakPolarHBondContact O-CB 3.43Å; E8-S12 PolarHBondContact O-N 2.94Å
9	D	85.3	Confident	79.3	Confident	80 Å²	80	117.3 Å²	117.3	43%	0.428	65%	0.647	S	S	.	*	H	α-helix	trans	-63.3	-38.5	171.1	-60.7	-43.4	0	0	0	111.8	V5 T6 N13	V5-D9 HydrophobicContact CG1-CB 3.92Å; T6-D9 PolarHBondContact N-OD2 3.32Å; T6-D9 PolarHBondContact O-N 2.9Å; T6-D9 PolarHBondContact OG1-N 3.12Å; T6-D9 PolarHBondContact OG1-OD2 3.45Å; D9-N13 WeakPolarHBondContact O-CB 3.37Å; D9-N13 VanDerWaalsContact O-CG 3.27Å; D9-N13 PolarHBondContact O-N 3.4Å; D9-N13 PolarHBondContact O-ND2 2.75Å
10	A	86	Confident	79.5	Confident	43 Å²	43	116.3 Å²	116.3	36%	0.355	64%	0.64	S	S	.	*	H	α-helix	trans	-67.2	-41.2	178.8	0	0	0	0	0	112	T6 L7 E8 N13 V14	T6-A10 PolarHBondContact O-N 2.8Å; T6-A10 VanDerWaalsContact O-N 3.11Å; L7-A10 WeakPolarHBondContact O-CB 3.36Å; L7-A10 PolarHBondContact O-N 3.25Å; E8-A10 VanDerWaalsContact C-N 3.31Å; E8-A10 PolarHBondContact O-N 3.14Å; A10-N13 PolarHBondContact O-N 2.68Å; A10-V14 WeakPolarHBondContact O-CG2 3.36Å; A10-V14 PolarHBondContact O-N 3.42Å
11	L	88.9	Confident	79.4	Confident	99 Å²	99	116 Å²	116	52%	0.518	64%	0.644	S	S	.	*	H	α-helix	trans	-67.2	-45.2	176.3	-69.4	170.3	0	0	0	111.3	L7 E8 N13 V14 D15	L7-L11 HydrophobicContact CG-CD1 4.18Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 2.65Å; E8-L11 PolarHBondContact O-N 3.5Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.44Å; L11-V14 WeakPolarHBondContact O-CB 3.38Å; L11-V14 PolarHBondContact O-N 3.25Å; L11-D15 PolarHBondContact O-N 3.43Å
12	S	87	Confident	81	Confident	64 Å²	64	111.5 Å²	111.5	45%	0.448	62%	0.624	S	S	.	*	H	α-helix	trans	-57.3	-39.9	175.8	179.8	0	0	0	0	112.5	E8 V14 D15 L16	E8-S12 WeakPolarHBondContact O-CB 3.43Å; E8-S12 PolarHBondContact O-N 2.94Å; S12-V14 VanDerWaalsContact C-N 3.31Å; S12-V14 PolarHBondContact O-N 3.14Å; S12-D15 PolarHBondContact O-N 3Å; S12-L16 WeakPolarHBondContact O-CG 3.44Å; S12-L16 PolarHBondContact O-N 2.92Å; S12-L16 VanDerWaalsContact O-N 3.09Å
13	N	86.4	Confident	82.1	Confident	95 Å²	95	111.2 Å²	111.2	51%	0.508	61%	0.613	S	S	.	*	H	α-helix	trans	-66	-30.3	175.3	-76.1	-37.7	0	0	0	113.6	D9 A10 L11	D9-N13 WeakPolarHBondContact O-CB 3.37Å; D9-N13 VanDerWaalsContact O-CG 3.27Å; D9-N13 PolarHBondContact O-N 3.4Å; D9-N13 PolarHBondContact O-ND2 2.75Å; A10-N13 PolarHBondContact O-N 2.68Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.44Å
14	V	87.3	Confident	82.3	Confident	87 Å²	87	113.6 Å²	113.6	53%	0.527	61%	0.613	S	S	.	*	H	α-helix	trans	-74.2	-41.5	175.8	173.4	0	0	0	0	110.2	A10 L11 S12 L16 L17	A10-V14 WeakPolarHBondContact O-CG2 3.36Å; A10-V14 PolarHBondContact O-N 3.42Å; L11-V14 WeakPolarHBondContact O-CB 3.38Å; L11-V14 PolarHBondContact O-N 3.25Å; S12-V14 VanDerWaalsContact C-N 3.31Å; S12-V14 PolarHBondContact O-N 3.14Å; V14-L16 PolarHBondContact O-N 2.91Å; V14-L17 VanDerWaalsContact O-CB 3.29Å; V14-L17 WeakPolarHBondContact O-CB 3.39Å; V14-L17 PolarHBondContact O-N 3.34Å
15	D	88	Confident	82.2	Confident	101 Å²	101	112.6 Å²	112.6	54%	0.54	61%	0.608	S	S	.	*	H	α-helix	trans	-60.4	-36.9	176.6	-65	-21	0	0	0	111.2	L11 S12 L17 E18	L11-D15 PolarHBondContact O-N 3.43Å; S12-D15 PolarHBondContact O-N 3Å; D15-L17 PolarHBondContact O-N 3.41Å; D15-E18 WeakPolarHBondContact O-CB 3.23Å; D15-E18 PolarHBondContact O-N 3.44Å; D15-E18 VanDerWaalsContact O-N 3.09Å
16	L	86.9	Confident	82.1	Confident	100 Å²	100	114.7 Å²	114.7	52%	0.524	61%	0.611	S	S	.	*	H	α-helix	trans	-62.4	-20.8	173.7	-73.8	171.8	0	0	0	114	S12 V14 E18 L20	S12-L16 WeakPolarHBondContact O-CG 3.44Å; S12-L16 PolarHBondContact O-N 2.92Å; S12-L16 VanDerWaalsContact O-N 3.09Å; V14-L16 PolarHBondContact O-N 2.91Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-L20 PolarHBondContact O-N 3.36Å
17	L	83.7	Confident	81.6	Confident	114 Å²	114	116 Å²	116	60%	0.597	62%	0.621	S	S	*	*	H	α-helix	trans	-76.2	-22.6	176.1	-61.8	173.8	0	0	0	112.4	V14 D15 E19 L20	V14-L17 VanDerWaalsContact O-CB 3.29Å; V14-L17 WeakPolarHBondContact O-CB 3.39Å; V14-L17 PolarHBondContact O-N 3.34Å; D15-L17 PolarHBondContact O-N 3.41Å; L17-E19 VanDerWaalsContact C-N 3.33Å; L17-L20 WeakPolarHBondContact O-CB 3.17Å; L17-L20 PolarHBondContact O-N 3.38Å
18	E	82.8	Confident	81.1	Confident	176 Å²	176	115 Å²	115	82%	0.822	62%	0.624	S	S	*	*	H	α-helix	trans	-68.5	-34.3	174.6	-67.8	-166	161.9	0	0	111.8	D15 L16 L20	D15-E18 WeakPolarHBondContact O-CB 3.23Å; D15-E18 PolarHBondContact O-N 3.44Å; D15-E18 VanDerWaalsContact O-N 3.09Å; L16-E18 VanDerWaalsContact C-N 3.34Å; E18-L20 VanDerWaalsContact C-N 3.34Å
19	E	81.6	Confident	80.6	Confident	169 Å²	169	114.7 Å²	114.7	79%	0.79	63%	0.626	S	S	*	*	S	Bend	trans	-88	-2.4	178.2	-62.2	-165.1	169.5	0	0	113.3	L17 P21	L17-E19 VanDerWaalsContact C-N 3.33Å; E19-P21 WeakPolarHBondContact O-CD 3.29Å
20	L	81.8	Confident	80.4	Confident	97 Å²	97	118.5 Å²	118.5	51%	0.508	64%	0.641	S	S	.	*			trans	-69.5	114.3	-179.7	-165.5	86	0	0	0	109.4	L16 L17 E18 L22	L16-L20 PolarHBondContact O-N 3.36Å; L17-L20 WeakPolarHBondContact O-CB 3.17Å; L17-L20 PolarHBondContact O-N 3.38Å; E18-L20 VanDerWaalsContact C-N 3.34Å; L20-L22 HydrophobicContact CD2-CD2 4.45Å; L20-L22 PolarHBondContact O-N 3.07Å
21	P	78.8	Confident	80.1	Confident	111 Å²	111	121.7 Å²	121.7	72%	0.721	66%	0.658	S	S	*	*			trans	-66.2	113.9	176.3	27.3	-31.9	0	0	0	107.9	E19 P23	E19-P21 WeakPolarHBondContact O-CD 3.29Å; P21-P23 WeakPolarHBondContact O-CD 3.47Å
22	L	76.3	Confident	79.8	Confident	149 Å²	149	122.3 Å²	122.3	78%	0.78	67%	0.668	S	S	*	*			trans	-78.4	107	169.4	-64.5	175.2	0	0	0	107	L20 D24	L20-L22 HydrophobicContact CD2-CD2 4.45Å; L20-L22 PolarHBondContact O-N 3.07Å; L22-D24 PolarHBondContact O-N 3.21Å
23	P	73.6	Confident	79.6	Confident	99 Å²	99	125.8 Å²	125.8	64%	0.643	69%	0.689	S	S	*	*			trans	-69.4	107.7	177	29.8	-32.7	0	0	0	107.7	P21 Q25	P21-P23 WeakPolarHBondContact O-CD 3.47Å; P23-Q25 HydrophobicContact CB-CG 4.22Å; P23-Q25 PolarHBondContact O-N 2.93Å
24	D	68.8	Low	79.5	Confident	142 Å²	142	126.1 Å²	126.1	76%	0.759	70%	0.699	S	S	*	*			trans	-73.5	65.9	172.5	-162.8	8.9	0	0	0	109.2	L22 Q26	L22-D24 PolarHBondContact O-N 3.21Å; D24-Q26 PolarHBondContact O-N 2.99Å
25	Q	69.8	Low	79.4	Confident	168 Å²	168	127.4 Å²	127.4	79%	0.785	71%	0.712	S	S	*	*			trans	-79.9	50.8	173.7	-71.4	-177.4	14.1	0	0	109.6	P23 P27	P23-Q25 HydrophobicContact CB-CG 4.22Å; P23-Q25 PolarHBondContact O-N 2.93Å; Q25-P27 VanDerWaalsContact O-CD 3.27Å; Q25-P27 WeakPolarHBondContact O-CD 3.5Å; Q25-P27 VanDerWaalsContact O-N 3.15Å
26	Q	74.7	Confident	79.3	Confident	150 Å²	150	130.4 Å²	130.4	70%	0.701	73%	0.727	S	S	*	*			trans	-63.3	118.8	171.3	-162.4	162.9	20.2	0	0	107.3	D24 C28	D24-Q26 PolarHBondContact O-N 2.99Å; Q26-C28 PolarHBondContact O-N 3.35Å
27	P	74	Confident	79.2	Confident	100 Å²	100	134 Å²	134	65%	0.649	75%	0.746	S	S	*	*			trans	-59	129.1	177.9	21.7	-30.1	0	0	0	108	Q25 I29	Q25-P27 VanDerWaalsContact O-CD 3.27Å; Q25-P27 WeakPolarHBondContact O-CD 3.5Å; Q25-P27 VanDerWaalsContact O-N 3.15Å; P27-I29 PolarHBondContact O-N 3.39Å
28	C	73.2	Confident	79.2	Confident	112 Å²	112	137.8 Å²	137.8	76%	0.757	75%	0.754	S	S	*	*			trans	-66.9	100.6	173.7	-168.4	0	0	0	0	107.9	Q26 E30	Q26-C28 PolarHBondContact O-N 3.35Å; C28-E30 PolarHBondContact SG-O 3.37Å; C28-E30 VanDerWaalsContact SG-O 3.38Å
29	I	78.7	Confident	79.1	Confident	153 Å²	153	137.9 Å²	137.9	79%	0.785	75%	0.754	S	S	*	*			trans	-78	-17.6	176.1	-55.1	166.7	0	0	0	109.9	P27	P27-I29 PolarHBondContact O-N 3.39Å
30	E	79.7	Confident	78.9	Confident	160 Å²	160	132.6 Å²	132.6	75%	0.748	73%	0.734	S	S	*	*	S	Bend	trans	-80.8	125.9	-178.7	-64.7	-171.7	173.9	0	0	111.1	C28	C28-E30 PolarHBondContact SG-O 3.37Å; C28-E30 VanDerWaalsContact SG-O 3.38Å
31	P	79.8	Confident	78.6	Confident	110 Å²	110	133.3 Å²	133.3	71%	0.714	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-65.1	150.6	170.8	27.9	-32.6	0	0	0	110.1
32	P	82.4	Confident	78.4	Confident	111 Å²	111	136.3 Å²	136.3	72%	0.721	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-58.5	149.4	174	25.7	-33.8	0	0	0	110.6	S34	P32-S34 PolarHBondContact O-N 3.48Å
33	P	83.4	Confident	78.4	Confident	137 Å²	137	132.8 Å²	132.8	89%	0.89	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-59.9	117.2	-178.8	24	-32.9	0	0	0	110
34	S	84.7	Confident	78.4	Confident	102 Å²	102	133.1 Å²	133.1	71%	0.713	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-97.9	132.1	174.4	-173.6	0	0	0	0	109.5	P32 L36	P32-S34 PolarHBondContact O-N 3.48Å; S34-L36 PolarHBondContact O-N 2.81Å
35	S	85.6	Confident	79.1	Confident	115 Å²	115	127.3 Å²	127.3	80%	0.804	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-76.5	118.5	173.6	-65.8	0	0	0	0	109.4
36	L	84.3	Confident	79.8	Confident	163 Å²	163	122.8 Å²	122.8	85%	0.853	67%	0.669	S	S	*	*			trans	-89.2	113.3	173.2	-67.6	172.4	0	0	0	109.2	S34	S34-L36 PolarHBondContact O-N 2.81Å
37	L	86.3	Confident	80.2	Confident	175 Å²	175	121.8 Å²	121.8	92%	0.916	67%	0.665	S	S	*	*			trans	-86.6	114.8	167	-74.6	165.4	0	0	0	108.3
38	Y	82.1	Confident	80.7	Confident	195 Å²	195	121.6 Å²	121.6	77%	0.765	66%	0.659	S	S	*	*			trans	-100.2	116	169.9	175.1	-103.1	0	0	0	108.9	P40	Y38-P40 HydrophobicContact CE1-CB 3.89Å; Y38-P40 HydrophobicContact CE1-CG 4.08Å
39	Q	81.5	Confident	81.2	Confident	178 Å²	178	119.2 Å²	119.2	83%	0.832	63%	0.633	S	S	*	*			trans	-115.3	111.1	170	-173.8	171.6	-7.7	0	0	108.2	N41	Q39-N41 PolarHBondContact O-N 3.26Å
40	P	77.7	Confident	81.3	Confident	58 Å²	58	117.5 Å²	117.5	38%	0.377	63%	0.626	S	S	.	*			trans	-67.3	126.7	174.9	26.8	-31.3	0	0	0	109.3	Y38 F42	Y38-P40 HydrophobicContact CE1-CB 3.89Å; Y38-P40 HydrophobicContact CE1-CG 4.08Å; P40-F42 HydrophobicContact CB-CD2 4.48Å; P40-F42 HydrophobicContact CB-CE2 3.79Å; P40-F42 HydrophobicContact CB-CZ 3.92Å; P40-F42 HydrophobicContact CG-CE2 3.9Å; P40-F42 HydrophobicContact CG-CZ 4.27Å
41	N	74.8	Confident	81.3	Confident	111 Å²	111	113.7 Å²	113.7	59%	0.594	62%	0.622	S	S	*	*			trans	-97.7	117.2	169.1	-171.6	-0.3	0	0	0	108.4	Q39 N43	Q39-N41 PolarHBondContact O-N 3.26Å; N41-N43 VanDerWaalsContact C-N 3.33Å; N41-N43 WeakPolarHBondContact OD1-CB 3.28Å; N41-N43 PolarHBondContact OD1-N 3.33Å
42	F	74.5	Confident	80.9	Confident	175 Å²	175	114.1 Å²	114.1	77%	0.768	61%	0.613	S	S	*	*			trans	-96.1	13.5	175.5	-62.8	-78	0	0	0	112.3	P40 T44	P40-F42 HydrophobicContact CB-CD2 4.48Å; P40-F42 HydrophobicContact CB-CE2 3.79Å; P40-F42 HydrophobicContact CB-CZ 3.92Å; P40-F42 HydrophobicContact CG-CE2 3.9Å; P40-F42 HydrophobicContact CG-CZ 4.27Å; F42-T44 PolarHBondContact O-N 2.98Å; F42-T44 VanDerWaalsContact O-N 3.17Å
43	N	76.8	Confident	80.2	Confident	74 Å²	74	114.5 Å²	114.5	40%	0.396	61%	0.613	S	S	.	*			trans	-59.1	119.9	175.9	-171.5	-0.3	0	0	0	109.9	N41 N45 E47	N41-N43 VanDerWaalsContact C-N 3.33Å; N41-N43 WeakPolarHBondContact OD1-CB 3.28Å; N41-N43 PolarHBondContact OD1-N 3.33Å; N43-N45 PolarHBondContact O-N 3.45Å; N43-N45 WeakPolarHBondContact OD1-CB 3.39Å; N43-N45 PolarHBondContact OD1-N 2.87Å; N43-E47 PolarHBondContact ND2-OE1 3.5Å
44	T	74.4	Confident	79.4	Confident	107 Å²	107	115 Å²	115	66%	0.656	61%	0.613	S	S	*	*			trans	-85.6	12.3	177.5	54.5	0	0	0	0	112.7	F42 F46	F42-T44 PolarHBondContact O-N 2.98Å; F42-T44 VanDerWaalsContact O-N 3.17Å; T44-F46 VanDerWaalsContact C-N 3.27Å; T44-F46 WeakPolarHBondContact O-CD2 3.32Å; T44-F46 WeakPolarHBondContact O-CE2 3.36Å; T44-F46 PolarHBondContact O-N 2.95Å
45	N	83.6	Confident	78.4	Confident	19 Å²	19	111.9 Å²	111.9	10%	0.102	60%	0.598	C	S	.	*	S	Bend	trans	-86.7	14.6	-178.4	-145	33.6	0	0	0	114.6	N43 E47 S67 N70	N43-N45 PolarHBondContact O-N 3.45Å; N43-N45 WeakPolarHBondContact OD1-CB 3.39Å; N43-N45 PolarHBondContact OD1-N 2.87Å; N45-E47 VanDerWaalsContact C-N 3.34Å; N45-E47 PolarHBondContact O-N 2.88Å; N45-S67 PolarHBondContact ND2-OG 3.22Å; N45-S67 VanDerWaalsContact O-CB 3.25Å; N45-S67 WeakPolarHBondContact O-CB 3.28Å; N45-S67 PolarHBondContact O-OG 2.92Å; N45-S67 VanDerWaalsContact O-OG 3.14Å; N45-S67 WeakPolarHBondContact OD1-CA 3.39Å; N45-S67 PolarHBondContact OD1-O 3.45Å; N45-N70 WeakPolarHBondContact OD1-CB 3.33Å; N45-N70 PolarHBondContact OD1-ND2 3.02Å
46	F	84.4	Confident	77.8	Confident	73 Å²	73	110.9 Å²	110.9	32%	0.32	58%	0.582	S	S	.	*			trans	54.2	41.4	172	-49.7	-87.9	0	0	0	114.6	T44 D48 R49 A63 H66	T44-F46 VanDerWaalsContact C-N 3.27Å; T44-F46 WeakPolarHBondContact O-CD2 3.32Å; T44-F46 WeakPolarHBondContact O-CE2 3.36Å; T44-F46 PolarHBondContact O-N 2.95Å; F46-D48 PolarHBondContact O-N 3.22Å; F46-R49 HydrophobicContact CB-CB 4.24Å; F46-R49 VanDerWaalsContact O-CB 3.27Å; F46-R49 WeakPolarHBondContact O-CB 3.43Å; F46-R49 WeakPolarHBondContact O-CD 3.46Å; F46-R49 WeakPolarHBondContact O-CG 3.17Å; F46-R49 PolarHBondContact O-N 3.29Å; F46-R49 VanDerWaalsContact O-N 3.16Å; F46-A63 HydrophobicContact CB-CB 3.82Å; F46-A63 HydrophobicContact CD1-CB 3.79Å; F46-A63 HydrophobicContact CD2-CB 4.26Å; F46-A63 HydrophobicContact CE1-CB 4.44Å; F46-A63 HydrophobicContact CG-CB 3.69Å; F46-H66 HydrophobicContact CE2-CB 4.29Å; F46-H66 AromaticContact CE2-CE1 3.73Å; F46-H66 AromaticContact CE2-CG 3.9Å; F46-H66 AromaticContact CE2-ND1 3.23Å; F46-H66 WeakPolarHBondContact CE2-ND1 3.4Å; F46-H66 AromaticContact CZ-ND1 3.7Å
47	E	83.4	Confident	77.4	Confident	130 Å²	130	106.8 Å²	106.8	61%	0.607	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-60.3	-33	178.2	-69.2	-178.1	-164.7	0	0	112.4	N43 N45 R49	N43-E47 PolarHBondContact ND2-OE1 3.5Å; N45-E47 VanDerWaalsContact C-N 3.34Å; N45-E47 PolarHBondContact O-N 2.88Å; E47-R49 VanDerWaalsContact C-N 3.31Å; E47-R49 PolarHBondContact O-N 2.65Å
48	D	82.6	Confident	77	Confident	96 Å²	96	105 Å²	105	51%	0.513	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-86.1	6	-179.7	65.6	-18	0	0	0	113.7	F46 N50 A51 F52	F46-D48 PolarHBondContact O-N 3.22Å; D48-N50 PolarHBondContact O-N 3.4Å; D48-A51 VanDerWaalsContact O-CB 3.26Å; D48-A51 WeakPolarHBondContact O-CB 3.33Å; D48-A51 PolarHBondContact O-N 2.76Å; D48-F52 HydrophobicContact CB-CE2 4.48Å; D48-F52 WeakPolarHBondContact O-CD2 3.48Å; D48-F52 WeakPolarHBondContact OD2-CE2 3.5Å
49	R	83.9	Confident	77	Confident	61 Å²	61	101.4 Å²	101.4	23%	0.23	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-50.5	-31.8	-178.8	64.4	-170.9	176.2	-130.7	1	114.1	F46 E47 A51 F52 A63 T64 S67	F46-R49 HydrophobicContact CB-CB 4.24Å; F46-R49 VanDerWaalsContact O-CB 3.27Å; F46-R49 WeakPolarHBondContact O-CB 3.43Å; F46-R49 WeakPolarHBondContact O-CD 3.46Å; F46-R49 WeakPolarHBondContact O-CG 3.17Å; F46-R49 PolarHBondContact O-N 3.29Å; F46-R49 VanDerWaalsContact O-N 3.16Å; E47-R49 VanDerWaalsContact C-N 3.31Å; E47-R49 PolarHBondContact O-N 2.65Å; R49-A51 VanDerWaalsContact C-N 3.32Å; R49-F52 PolarHBondContact O-N 3.28Å; R49-A63 HydrophobicContact CB-CB 4.22Å; R49-T64 PolarHBondContact NE-OG1 3.11Å; R49-S67 PolarHBondContact NH1-OG 2.85Å
50	N	81.2	Confident	77.2	Confident	118 Å²	118	95.2 Å²	95.2	63%	0.631	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-75.5	-18	179.7	-66.5	-26.4	0	0	0	113.5	D48 F52 V53	D48-N50 PolarHBondContact O-N 3.4Å; N50-F52 VanDerWaalsContact C-N 3.27Å; N50-V53 WeakPolarHBondContact O-CG2 3.43Å
51	A	79.4	Confident	77.5	Confident	80 Å²	80	95.6 Å²	95.6	66%	0.661	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-72.4	-23	175.1	0	0	0	0	0	112	D48 R49 V53	D48-A51 VanDerWaalsContact O-CB 3.26Å; D48-A51 WeakPolarHBondContact O-CB 3.33Å; D48-A51 PolarHBondContact O-N 2.76Å; R49-A51 VanDerWaalsContact C-N 3.32Å; A51-V53 VanDerWaalsContact C-N 3.33Å; A51-V53 PolarHBondContact O-N 3.5Å
52	F	72.6	Confident	78	Confident	119 Å²	119	91.2 Å²	91.2	52%	0.522	48%	0.484	S	S	.	.			trans	-93	51.4	-177.8	-62.2	-81.3	0	0	0	112.9	D48 R49 N50 T54 G55	D48-F52 HydrophobicContact CB-CE2 4.48Å; D48-F52 WeakPolarHBondContact O-CD2 3.48Å; D48-F52 WeakPolarHBondContact OD2-CE2 3.5Å; R49-F52 PolarHBondContact O-N 3.28Å; N50-F52 VanDerWaalsContact C-N 3.27Å; F52-T54 PolarHBondContact O-N 3.15Å; F52-G55 PolarHBondContact O-N 2.88Å
53	V	66.7	Low	78.6	Confident	119 Å²	119	83.4 Å²	83.4	72%	0.721	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.1	-177.8	-174.6	0	0	0	0	113	N50 A51 G55	N50-V53 WeakPolarHBondContact O-CG2 3.43Å; A51-V53 VanDerWaalsContact C-N 3.33Å; A51-V53 PolarHBondContact O-N 3.5Å; V53-G55 VanDerWaalsContact C-N 3.26Å; V53-G55 PolarHBondContact O-N 3.38Å
54	T	66.9	Low	79.2	Confident	147 Å²	147	82.6 Å²	82.6	90%	0.902	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-3.8	177.2	56.1	0	0	0	0	113.6	F52	F52-T54 PolarHBondContact O-N 3.15Å
55	G	64.4	Low	79.9	Confident	37 Å²	37	78.2 Å²	78.2	38%	0.381	42%	0.422	S	S	.	.	S	Bend	trans	-71.4	162.7	-179.9	0	0	0	0	0	113.5	F52 V53 A57	F52-G55 PolarHBondContact O-N 2.88Å; V53-G55 VanDerWaalsContact C-N 3.26Å; V53-G55 PolarHBondContact O-N 3.38Å; G55-A57 PolarHBondContact O-N 3.12Å; G55-A57 VanDerWaalsContact O-N 3.16Å
56	I	72.8	Confident	80.2	Confident	94 Å²	94	77.9 Å²	77.9	48%	0.482	42%	0.42	S	S	.	.			trans	-61.1	119.4	169.3	-57.8	-179.6	0	0	0	107.5	R58 Y59	I56-R58 HydrophobicContact CG2-CB 4.12Å; I56-R58 HydrophobicContact CG2-CG 4.21Å; I56-R58 PolarHBondContact O-N 3.41Å; I56-Y59 HydrophobicContact CB-CD2 3.81Å; I56-Y59 HydrophobicContact CB-CE2 3.87Å; I56-Y59 HydrophobicContact CB-CG 4.41Å; I56-Y59 HydrophobicContact CD1-CD2 4.49Å; I56-Y59 HydrophobicContact CD1-CE2 3.68Å; I56-Y59 HydrophobicContact CG1-CD2 4.35Å; I56-Y59 HydrophobicContact CG1-CE2 4.01Å; I56-Y59 PolarHBondContact O-N 2.87Å
57	A	76.1	Confident	80.5	Confident	77 Å²	77	74.6 Å²	74.6	64%	0.636	41%	0.406	S	S	*	.	H	α-helix	trans	-49.6	-28.5	-175.6	0	0	0	0	0	114.3	G55 Y59 I60 E61	G55-A57 PolarHBondContact O-N 3.12Å; G55-A57 VanDerWaalsContact O-N 3.16Å; A57-Y59 VanDerWaalsContact C-N 3.34Å; A57-Y59 PolarHBondContact O-N 3.15Å; A57-I60 PolarHBondContact O-N 3.01Å; A57-E61 PolarHBondContact O-N 3.25Å; A57-E61 VanDerWaalsContact O-N 3.07Å
58	R	78	Confident	80.8	Confident	136 Å²	136	70 Å²	70	51%	0.513	39%	0.388	S	S	.	.	H	α-helix	trans	-64.3	-32.4	176.6	-57.8	-175.2	-160.4	166.4	12.2	113.8	I56 Q62 D151	I56-R58 HydrophobicContact CG2-CB 4.12Å; I56-R58 HydrophobicContact CG2-CG 4.21Å; I56-R58 PolarHBondContact O-N 3.41Å; R58-Q62 WeakPolarHBondContact O-CG 3.45Å; R58-Q62 PolarHBondContact O-N 2.98Å; R58-D151 IonicContact CZ-OD1 3.1Å; R58-D151 IonicContact NH1-OD1 3.93Å; R58-D151 PolarHBondContact NH1-OD1 3.3Å
59	Y	81.4	Confident	81.3	Confident	120 Å²	120	66 Å²	66	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-74.2	-34.6	178.1	-59.7	-31.6	0	0	0	111.4	I56 A57 Q62 A63 F152	I56-Y59 HydrophobicContact CB-CD2 3.81Å; I56-Y59 HydrophobicContact CB-CE2 3.87Å; I56-Y59 HydrophobicContact CB-CG 4.41Å; I56-Y59 HydrophobicContact CD1-CD2 4.49Å; I56-Y59 HydrophobicContact CD1-CE2 3.68Å; I56-Y59 HydrophobicContact CG1-CD2 4.35Å; I56-Y59 HydrophobicContact CG1-CE2 4.01Å; I56-Y59 PolarHBondContact O-N 2.87Å; A57-Y59 VanDerWaalsContact C-N 3.34Å; A57-Y59 PolarHBondContact O-N 3.15Å; Y59-Q62 PolarHBondContact O-N 3.26Å; Y59-A63 VanDerWaalsContact O-CB 3.28Å; Y59-A63 WeakPolarHBondContact O-CB 3.31Å; Y59-A63 PolarHBondContact O-N 3.49Å; Y59-F152 HydrophobicContact CD1-CD1 4.48Å; Y59-F152 AromaticContact CE1-CD1 3.8Å; Y59-F152 HydrophobicContact CE1-CD1 3.8Å; Y59-F152 HydrophobicContact CE1-CE1 4.35Å
60	I	84.8	Confident	81.7	Confident	48 Å²	48	64.4 Å²	64.4	25%	0.246	36%	0.363	C	S	.	.	H	α-helix	trans	-63.9	-46	171.9	-58.3	175.6	0	0	0	109.5	A57 Q62 A63 T64	A57-I60 PolarHBondContact O-N 3.01Å; I60-Q62 PolarHBondContact O-N 3.45Å; I60-A63 PolarHBondContact O-N 3.16Å; I60-T64 PolarHBondContact O-N 3.19Å; I60-T64 PolarHBondContact O-OG1 2.93Å; I60-T64 VanDerWaalsContact O-OG1 3.04Å
61	E	84.3	Confident	82.2	Confident	66 Å²	66	63.7 Å²	63.7	31%	0.308	36%	0.356	S	S	.	.	H	α-helix	trans	-54.9	-49.2	174	-173.9	-165.7	160.9	0	0	111.3	A57 T64 V65 R142 R148	A57-E61 PolarHBondContact O-N 3.25Å; A57-E61 VanDerWaalsContact O-N 3.07Å; E61-T64 PolarHBondContact O-N 3.01Å; E61-V65 WeakPolarHBondContact O-CG2 3.47Å; E61-V65 PolarHBondContact O-N 3.34Å; E61-R142 IonicContact OE1-CZ 2.81Å; E61-R142 IonicContact OE1-NH1 3.94Å; E61-R142 PolarHBondContact OE1-NH1 3Å; E61-R142 VanDerWaalsContact OE1-NH1 3.11Å; E61-R148 IonicContact OE1-CZ 3.28Å; E61-R148 IonicContact OE1-NH1 2.84Å; E61-R148 PolarHBondContact OE1-NH1 3.49Å; E61-R148 IonicContact OE1-NH2 3.29Å; E61-R148 PolarHBondContact OE1-NH2 3.18Å; E61-R148 VanDerWaalsContact OE1-NH2 3.1Å; E61-R148 IonicContact OE2-CZ 2.65Å; E61-R148 IonicContact OE2-NH1 3.9Å; E61-R148 IonicContact OE2-NH2 3.47Å; E61-R148 PolarHBondContact OE2-NH2 3.09Å
62	Q	85.9	Confident	83	Confident	20 Å²	20	61.2 Å²	61.2	9%	0.093	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-44	178.3	-76.9	-174.5	60.1	0	0	112.9	R58 Y59 I60 T64 V65 H66 F152	R58-Q62 WeakPolarHBondContact O-CG 3.45Å; R58-Q62 PolarHBondContact O-N 2.98Å; Y59-Q62 PolarHBondContact O-N 3.26Å; I60-Q62 PolarHBondContact O-N 3.45Å; Q62-T64 VanDerWaalsContact C-N 3.32Å; Q62-T64 PolarHBondContact O-N 2.98Å; Q62-V65 PolarHBondContact O-N 3.25Å; Q62-H66 WeakPolarHBondContact O-CB 3.46Å; Q62-H66 PolarHBondContact O-N 2.92Å; Q62-F152 PolarHBondContact NE2-O 3.31Å
63	A	88.1	Confident	84	Confident	10 Å²	10	60.2 Å²	60.2	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-61.4	-41	177.5	0	0	0	0	0	111.7	F46 R49 Y59 I60 S67	F46-A63 HydrophobicContact CB-CB 3.82Å; F46-A63 HydrophobicContact CD1-CB 3.79Å; F46-A63 HydrophobicContact CD2-CB 4.26Å; F46-A63 HydrophobicContact CE1-CB 4.44Å; F46-A63 HydrophobicContact CG-CB 3.69Å; R49-A63 HydrophobicContact CB-CB 4.22Å; Y59-A63 VanDerWaalsContact O-CB 3.28Å; Y59-A63 WeakPolarHBondContact O-CB 3.31Å; Y59-A63 PolarHBondContact O-N 3.49Å; I60-A63 PolarHBondContact O-N 3.16Å; A63-S67 WeakPolarHBondContact O-CB 3.49Å; A63-S67 PolarHBondContact O-N 3.39Å
64	T	88.7	Confident	85.3	Confident	58 Å²	58	60.9 Å²	60.9	36%	0.356	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-46.7	175.2	-59.6	0	0	0	0	111.9	R49 I60 E61 Q62 S68	R49-T64 PolarHBondContact NE-OG1 3.11Å; I60-T64 PolarHBondContact O-N 3.19Å; I60-T64 PolarHBondContact O-OG1 2.93Å; I60-T64 VanDerWaalsContact O-OG1 3.04Å; E61-T64 PolarHBondContact O-N 3.01Å; Q62-T64 VanDerWaalsContact C-N 3.32Å; Q62-T64 PolarHBondContact O-N 2.98Å; T64-S68 WeakPolarHBondContact O-CB 3.18Å; T64-S68 PolarHBondContact O-N 3.36Å; T64-S68 VanDerWaalsContact O-N 3.12Å
65	V	88.8	Confident	86.7	Confident	15 Å²	15	57.4 Å²	57.4	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-49.1	179.7	170.8	0	0	0	0	110.7	E61 Q62 S67 S68 M69 R135 E139 Y157	E61-V65 WeakPolarHBondContact O-CG2 3.47Å; E61-V65 PolarHBondContact O-N 3.34Å; Q62-V65 PolarHBondContact O-N 3.25Å; V65-S67 PolarHBondContact O-N 3.5Å; V65-S68 PolarHBondContact O-N 3.19Å; V65-M69 HydrophobicContact CG1-SD 4.28Å; V65-M69 WeakPolarHBondContact O-CG 3.3Å; V65-M69 PolarHBondContact O-N 3.29Å; V65-R135 PolarHBondContact O-NH2 3.42Å; V65-E139 HydrophobicContact CG1-CG 4.15Å; V65-E139 WeakPolarHBondContact CG1-OE1 3.24Å; V65-E139 WeakPolarHBondContact CG1-OE2 3.48Å; V65-Y157 HydrophobicContact CG1-CD2 4.41Å; V65-Y157 HydrophobicContact CG1-CE2 3.53Å
66	H	89.5	Confident	88.3	Confident	11 Å²	11	56.5 Å²	56.5	5%	0.051	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-45.8	-179.6	-177.4	-170.8	0	0	0	111	F46 Q62 S68 M69 N70 Y157 T160	F46-H66 HydrophobicContact CE2-CB 4.29Å; F46-H66 AromaticContact CE2-CE1 3.73Å; F46-H66 AromaticContact CE2-CG 3.9Å; F46-H66 AromaticContact CE2-ND1 3.23Å; F46-H66 WeakPolarHBondContact CE2-ND1 3.4Å; F46-H66 AromaticContact CZ-ND1 3.7Å; Q62-H66 WeakPolarHBondContact O-CB 3.46Å; Q62-H66 PolarHBondContact O-N 2.92Å; H66-S68 VanDerWaalsContact C-N 3.33Å; H66-S68 PolarHBondContact O-N 2.96Å; H66-M69 PolarHBondContact O-N 3.44Å; H66-N70 PolarHBondContact CD2-ND2 3.47Å; H66-N70 VanDerWaalsContact CD2-ND2 3.28Å; H66-N70 PolarHBondContact NE2-ND2 2.85Å; H66-N70 VanDerWaalsContact NE2-ND2 3.17Å; H66-N70 PolarHBondContact NE2-OD1 3.46Å; H66-N70 PolarHBondContact O-N 3.22Å; H66-Y157 HydrophobicContact CB-CD2 4.15Å; H66-Y157 HydrophobicContact CB-CG 4.49Å; H66-T160 PolarHBondContact NE2-OG1 3.12Å
67	S	90.6	Very high	89.4	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.028	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-46.4	177.2	163.5	0	0	0	0	112.7	N45 R49 A63 V65 M69 N70 E71	N45-S67 PolarHBondContact ND2-OG 3.22Å; N45-S67 VanDerWaalsContact O-CB 3.25Å; N45-S67 WeakPolarHBondContact O-CB 3.28Å; N45-S67 PolarHBondContact O-OG 2.92Å; N45-S67 VanDerWaalsContact O-OG 3.14Å; N45-S67 WeakPolarHBondContact OD1-CA 3.39Å; N45-S67 PolarHBondContact OD1-O 3.45Å; R49-S67 PolarHBondContact NH1-OG 2.85Å; A63-S67 WeakPolarHBondContact O-CB 3.49Å; A63-S67 PolarHBondContact O-N 3.39Å; V65-S67 PolarHBondContact O-N 3.5Å; S67-M69 VanDerWaalsContact C-N 3.29Å; S67-M69 PolarHBondContact O-N 3.04Å; S67-N70 PolarHBondContact O-N 3.08Å; S67-E71 PolarHBondContact O-N 3.19Å; S67-E71 VanDerWaalsContact O-N 3.15Å
68	S	91.2	Very high	90.4	Very high	33 Å²	33	61 Å²	61	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-27.7	177.3	168.1	0	0	0	0	113.3	T64 V65 H66 M72 R135	T64-S68 WeakPolarHBondContact O-CB 3.18Å; T64-S68 PolarHBondContact O-N 3.36Å; T64-S68 VanDerWaalsContact O-N 3.12Å; V65-S68 PolarHBondContact O-N 3.19Å; H66-S68 VanDerWaalsContact C-N 3.33Å; H66-S68 PolarHBondContact O-N 2.96Å; S68-M72 PolarHBondContact O-N 3.02Å; S68-R135 PolarHBondContact OG-NH1 3.46Å; S68-R135 PolarHBondContact OG-NH2 2.93Å
69	M	91.8	Very high	91.4	Very high	13 Å²	13	56.1 Å²	56.1	6%	0.064	28%	0.278	C	S	.	.	H	α-helix	trans	-76.2	-34.3	173.9	-71.5	-173.6	73.8	0	0	112.5	V65 H66 S67 M72 L73 E139 Y157 T160 L161	V65-M69 HydrophobicContact CG1-SD 4.28Å; V65-M69 WeakPolarHBondContact O-CG 3.3Å; V65-M69 PolarHBondContact O-N 3.29Å; H66-M69 PolarHBondContact O-N 3.44Å; S67-M69 VanDerWaalsContact C-N 3.29Å; S67-M69 PolarHBondContact O-N 3.04Å; M69-M72 WeakPolarHBondContact O-CB 3.41Å; M69-M72 PolarHBondContact O-N 3.35Å; M69-L73 PolarHBondContact O-N 3.41Å; M69-E139 HydrophobicContact SD-CG 4.08Å; M69-Y157 HydrophobicContact SD-CD2 4.2Å; M69-Y157 HydrophobicContact SD-CE2 3.59Å; M69-Y157 VanDerWaalsContact SD-CE2 3.59Å; M69-T160 HydrophobicContact CB-CG2 3.47Å; M69-T160 VanDerWaalsContact CB-CG2 3.47Å; M69-T160 HydrophobicContact CE-CG2 4.19Å; M69-T160 HydrophobicContact SD-CG2 4.4Å; M69-L161 HydrophobicContact CE-CB 4.44Å; M69-L161 HydrophobicContact CE-CD2 3.57Å; M69-L161 HydrophobicContact CE-CG 3.71Å; M69-L161 HydrophobicContact SD-CD2 4.27Å; M69-L161 HydrophobicContact SD-CG 4.19Å
70	N	92.3	Very high	92.1	Very high	28 Å²	28	52.6 Å²	52.6	15%	0.15	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-42.6	173.9	-69.9	-24.2	0	0	0	111.3	N45 H66 S67 M72 L73 E74 T160	N45-N70 WeakPolarHBondContact OD1-CB 3.33Å; N45-N70 PolarHBondContact OD1-ND2 3.02Å; H66-N70 PolarHBondContact CD2-ND2 3.47Å; H66-N70 VanDerWaalsContact CD2-ND2 3.28Å; H66-N70 PolarHBondContact NE2-ND2 2.85Å; H66-N70 VanDerWaalsContact NE2-ND2 3.17Å; H66-N70 PolarHBondContact NE2-OD1 3.46Å; H66-N70 PolarHBondContact O-N 3.22Å; S67-N70 PolarHBondContact O-N 3.08Å; N70-M72 VanDerWaalsContact C-N 3.27Å; N70-M72 PolarHBondContact O-N 3.45Å; N70-L73 WeakPolarHBondContact O-CB 3.19Å; N70-L73 PolarHBondContact O-N 3.27Å; N70-L73 VanDerWaalsContact O-N 3.11Å; N70-E74 WeakPolarHBondContact O-CG 3.37Å; N70-E74 PolarHBondContact O-N 3.36Å; N70-T160 PolarHBondContact OD1-OG1 3.27Å
71	E	92.6	Very high	92.7	Very high	103 Å²	103	54 Å²	54	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-56.7	-42.5	173	-70	169.1	-174.3	0	0	111.6	S67 E74 E75	S67-E71 PolarHBondContact O-N 3.19Å; S67-E71 VanDerWaalsContact O-N 3.15Å; E71-E74 PolarHBondContact O-N 2.87Å; E71-E75 PolarHBondContact O-N 3.17Å
72	M	95.1	Very high	93.2	Very high	27 Å²	27	52.4 Å²	52.4	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-68.1	-33.9	177	-176.3	179.4	-75.5	0	0	112.9	S68 M69 N70 G76 F128 A132 R135	S68-M72 PolarHBondContact O-N 3.02Å; M69-M72 WeakPolarHBondContact O-CB 3.41Å; M69-M72 PolarHBondContact O-N 3.35Å; N70-M72 VanDerWaalsContact C-N 3.27Å; N70-M72 PolarHBondContact O-N 3.45Å; M72-G76 PolarHBondContact O-N 3.06Å; M72-F128 HydrophobicContact CG-CE2 3.78Å; M72-F128 HydrophobicContact CG-CZ 4.18Å; M72-F128 WeakPolarHBondContact O-CE2 3.14Å; M72-F128 WeakPolarHBondContact O-CZ 3.25Å; M72-A132 HydrophobicContact CG-CB 4.38Å; M72-A132 VanDerWaalsContact SD-CA 3.53Å; M72-A132 HydrophobicContact SD-CB 3.77Å; M72-R135 HydrophobicContact CE-CB 3.82Å; M72-R135 HydrophobicContact CE-CG 4.07Å; M72-R135 HydrophobicContact SD-CB 4.22Å; M72-R135 HydrophobicContact SD-CG 4.42Å
73	L	94.2	Very high	93.7	Very high	99 Å²	99	55.1 Å²	55.1	52%	0.518	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-41.9	173.3	-78	177.2	0	0	0	111.5	M69 N70 G76 Q77 T160	M69-L73 PolarHBondContact O-N 3.41Å; N70-L73 WeakPolarHBondContact O-CB 3.19Å; N70-L73 PolarHBondContact O-N 3.27Å; N70-L73 VanDerWaalsContact O-N 3.11Å; L73-G76 PolarHBondContact O-N 2.92Å; L73-Q77 PolarHBondContact O-N 2.93Å; L73-T160 HydrophobicContact CD1-CG2 3.73Å
74	E	94.1	Very high	94.1	Very high	133 Å²	133	64.5 Å²	64.5	62%	0.621	33%	0.327	S	S	*	.	H	α-helix	trans	-61.1	-49.3	175.1	-72	177.7	-177.4	0	0	110.9	N70 E71 G76 Q77 E78	N70-E74 WeakPolarHBondContact O-CG 3.37Å; N70-E74 PolarHBondContact O-N 3.36Å; E71-E74 PolarHBondContact O-N 2.87Å; E74-G76 VanDerWaalsContact C-N 3.3Å; E74-G76 PolarHBondContact O-N 3.45Å; E74-Q77 WeakPolarHBondContact O-CB 3.29Å; E74-Q77 PolarHBondContact O-N 2.94Å; E74-Q77 VanDerWaalsContact O-N 3.11Å; E74-E78 PolarHBondContact O-N 3.31Å
75	E	96.6	Very high	94.4	Very high	73 Å²	73	65.2 Å²	65.2	34%	0.341	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-41.9	174.9	-167.6	-169.6	168.5	0	0	111.4	E71 Q77 E78 Y79 F128	E71-E75 PolarHBondContact O-N 3.17Å; E75-Q77 VanDerWaalsContact C-N 3.28Å; E75-Q77 PolarHBondContact O-N 3.36Å; E75-E78 WeakPolarHBondContact O-CB 3.39Å; E75-E78 PolarHBondContact O-N 3.11Å; E75-E78 VanDerWaalsContact O-N 3.16Å; E75-Y79 HydrophobicContact CG-CD2 4.27Å; E75-Y79 HydrophobicContact CG-CE2 3.73Å; E75-Y79 VanDerWaalsContact O-CD2 3.26Å; E75-Y79 WeakPolarHBondContact O-CD2 3.44Å; E75-Y79 PolarHBondContact O-N 2.9Å; E75-Y79 WeakPolarHBondContact OE1-CE2 3.43Å; E75-Y79 PolarHBondContact OE1-OH 3.38Å; E75-F128 HydrophobicContact CB-CD2 4.33Å; E75-F128 HydrophobicContact CB-CE2 3.93Å; E75-F128 HydrophobicContact CG-CD2 3.92Å; E75-F128 HydrophobicContact CG-CE2 4.03Å; E75-F128 WeakPolarHBondContact OE1-CD2 3.14Å; E75-F128 WeakPolarHBondContact OE2-CD2 3.21Å
76	G	97.1	Very high	94.7	Very high	19 Å²	19	68.5 Å²	68.5	20%	0.196	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-35.9	176.1	0	0	0	0	0	113.4	M72 L73 E74 Y79 A80	M72-G76 PolarHBondContact O-N 3.06Å; L73-G76 PolarHBondContact O-N 2.92Å; E74-G76 VanDerWaalsContact C-N 3.3Å; E74-G76 PolarHBondContact O-N 3.45Å; G76-Y79 PolarHBondContact O-N 3.2Å; G76-A80 PolarHBondContact O-N 2.89Å
77	Q	96.8	Very high	94.8	Very high	122 Å²	122	77.8 Å²	77.8	57%	0.57	38%	0.376	S	S	*	.	H	α-helix	trans	-67.1	-37.3	176	-174.5	63.4	9	0	0	111.6	L73 E74 E75 Y79 A80 V81	L73-Q77 PolarHBondContact O-N 2.93Å; E74-Q77 WeakPolarHBondContact O-CB 3.29Å; E74-Q77 PolarHBondContact O-N 2.94Å; E74-Q77 VanDerWaalsContact O-N 3.11Å; E75-Q77 VanDerWaalsContact C-N 3.28Å; E75-Q77 PolarHBondContact O-N 3.36Å; Q77-Y79 VanDerWaalsContact C-N 3.35Å; Q77-A80 WeakPolarHBondContact O-CB 3.25Å; Q77-A80 PolarHBondContact O-N 2.99Å; Q77-V81 WeakPolarHBondContact O-CG2 3.47Å; Q77-V81 PolarHBondContact O-N 3.2Å
78	E	97.4	Very high	94.6	Very high	143 Å²	143	81.8 Å²	81.8	67%	0.668	41%	0.405	S	S	*	.	H	α-helix	trans	-61	-44.4	173.4	-62.4	-173.4	171.5	0	0	111.4	E74 E75 A80 V81 M82	E74-E78 PolarHBondContact O-N 3.31Å; E75-E78 WeakPolarHBondContact O-CB 3.39Å; E75-E78 PolarHBondContact O-N 3.11Å; E75-E78 VanDerWaalsContact O-N 3.16Å; E78-A80 PolarHBondContact O-N 3.5Å; E78-V81 PolarHBondContact O-N 3.31Å; E78-M82 WeakPolarHBondContact O-CB 3.48Å; E78-M82 PolarHBondContact O-N 3.4Å
79	Y	97.9	Very high	94.4	Very high	33 Å²	33	82 Å²	82	13%	0.129	41%	0.406	C	S	.	.	H	α-helix	trans	-65.9	-36.1	174.9	-70.3	-63	0	0	0	112.9	E75 G76 Q77 V81 M82 L83 N124 F125 F128	E75-Y79 HydrophobicContact CG-CD2 4.27Å; E75-Y79 HydrophobicContact CG-CE2 3.73Å; E75-Y79 VanDerWaalsContact O-CD2 3.26Å; E75-Y79 WeakPolarHBondContact O-CD2 3.44Å; E75-Y79 PolarHBondContact O-N 2.9Å; E75-Y79 WeakPolarHBondContact OE1-CE2 3.43Å; E75-Y79 PolarHBondContact OE1-OH 3.38Å; G76-Y79 PolarHBondContact O-N 3.2Å; Q77-Y79 VanDerWaalsContact C-N 3.35Å; Y79-V81 VanDerWaalsContact C-N 3.34Å; Y79-V81 PolarHBondContact O-N 3.49Å; Y79-M82 HydrophobicContact CD1-CE 3.89Å; Y79-M82 HydrophobicContact CD1-SD 4.17Å; Y79-M82 WeakPolarHBondContact O-CB 3.35Å; Y79-M82 PolarHBondContact O-N 3.44Å; Y79-L83 WeakPolarHBondContact O-CB 3.19Å; Y79-L83 VanDerWaalsContact O-CG 3.31Å; Y79-L83 WeakPolarHBondContact O-CG 3.48Å; Y79-L83 PolarHBondContact O-N 2.89Å; Y79-N124 HydrophobicContact CE1-CB 4.35Å; Y79-F125 HydrophobicContact CD1-CB 3.78Å; Y79-F125 AromaticContact CD1-CD2 3.77Å; Y79-F125 HydrophobicContact CD1-CD2 3.77Å; Y79-F125 HydrophobicContact CD1-CG 4.2Å; Y79-F125 HydrophobicContact CD2-CD2 4.22Å; Y79-F125 HydrophobicContact CE1-CB 3.87Å; Y79-F125 HydrophobicContact CE1-CD2 4.48Å; Y79-F125 HydrophobicContact CG-CB 4.47Å; Y79-F125 AromaticContact CG-CD2 3.63Å; Y79-F125 HydrophobicContact CG-CD2 3.63Å; Y79-F125 HydrophobicContact CG-CE2 4.41Å; Y79-F125 HydrophobicContact CG-CG 4.49Å; Y79-F128 HydrophobicContact CD2-CB 3.98Å; Y79-F128 AromaticContact CD2-CD1 3.48Å; Y79-F128 HydrophobicContact CD2-CD1 3.48Å; Y79-F128 VanDerWaalsContact CD2-CD1 3.48Å; Y79-F128 HydrophobicContact CD2-CD2 4.08Å; Y79-F128 AromaticContact CD2-CE1 3.98Å; Y79-F128 HydrophobicContact CD2-CE1 3.98Å; Y79-F128 HydrophobicContact CD2-CE2 4.49Å; Y79-F128 AromaticContact CD2-CG 3.55Å; Y79-F128 HydrophobicContact CD2-CG 3.55Å; Y79-F128 HydrophobicContact CD2-CZ 4.46Å; Y79-F128 HydrophobicContact CE2-CB 3.34Å; Y79-F128 AromaticContact CE2-CD1 3.78Å; Y79-F128 HydrophobicContact CE2-CD1 3.78Å; Y79-F128 AromaticContact CE2-CD2 3.74Å; Y79-F128 HydrophobicContact CE2-CD2 3.74Å; Y79-F128 AromaticContact CE2-CG 3.31Å; Y79-F128 HydrophobicContact CE2-CG 3.31Å; Y79-F128 HydrophobicContact CG-CD1 4.4Å
80	A	97	Very high	94.1	Very high	47 Å²	47	84.6 Å²	84.6	39%	0.388	43%	0.425	S	S	.	.	H	α-helix	trans	-61.7	-43.7	174.8	0	0	0	0	0	111.4	G76 Q77 E78 L83 Y84	G76-A80 PolarHBondContact O-N 2.89Å; Q77-A80 WeakPolarHBondContact O-CB 3.25Å; Q77-A80 PolarHBondContact O-N 2.99Å; E78-A80 PolarHBondContact O-N 3.5Å; A80-L83 PolarHBondContact O-N 3.4Å; A80-Y84 WeakPolarHBondContact O-CB 3.09Å; A80-Y84 PolarHBondContact O-N 2.94Å
81	V	97.1	Very high	93.8	Very high	78 Å²	78	94.9 Å²	94.9	47%	0.473	46%	0.462	S	S	.	.	H	α-helix	trans	-64	-43.7	174.3	173.2	0	0	0	0	111	Q77 E78 Y79 L83 Y84 T85	Q77-V81 WeakPolarHBondContact O-CG2 3.47Å; Q77-V81 PolarHBondContact O-N 3.2Å; E78-V81 PolarHBondContact O-N 3.31Å; Y79-V81 VanDerWaalsContact C-N 3.34Å; Y79-V81 PolarHBondContact O-N 3.49Å; V81-L83 PolarHBondContact O-N 2.91Å; V81-Y84 PolarHBondContact O-N 2.93Å; V81-T85 WeakPolarHBondContact O-CB 3.37Å; V81-T85 WeakPolarHBondContact O-CG2 3.41Å; V81-T85 PolarHBondContact O-N 3.36Å; V81-T85 PolarHBondContact O-OG1 3.08Å
82	M	95.5	Very high	93.6	Very high	31 Å²	31	94 Å²	94	15%	0.153	47%	0.472	C	S	.	.	H	α-helix	trans	-57.5	-48.8	176.3	-178.4	-162.8	73.2	0	0	111.3	E78 Y79 T85 W86 K121 F125	E78-M82 WeakPolarHBondContact O-CB 3.48Å; E78-M82 PolarHBondContact O-N 3.4Å; Y79-M82 HydrophobicContact CD1-CE 3.89Å; Y79-M82 HydrophobicContact CD1-SD 4.17Å; Y79-M82 WeakPolarHBondContact O-CB 3.35Å; Y79-M82 PolarHBondContact O-N 3.44Å; M82-T85 CarbonylContact O-C 3.59Å; M82-T85 PolarHBondContact O-N 3.33Å; M82-T85 PolarHBondContact O-OG1 3.14Å; M82-W86 HydrophobicContact CE-CE3 4.38Å; M82-W86 HydrophobicContact CE-CZ3 4.3Å; M82-W86 HydrophobicContact CG-CE3 4.05Å; M82-W86 HydrophobicContact CG-CZ3 4.24Å; M82-W86 WeakPolarHBondContact O-CB 3.45Å; M82-W86 PolarHBondContact O-N 2.99Å; M82-W86 HydrophobicContact SD-CE3 4.38Å; M82-W86 HydrophobicContact SD-CZ3 4.07Å; M82-K121 HydrophobicContact SD-CB 3.81Å; M82-K121 HydrophobicContact SD-CD 4.27Å; M82-K121 HydrophobicContact SD-CG 4.23Å; M82-F125 HydrophobicContact CE-CB 4.15Å; M82-F125 HydrophobicContact CE-CG 4.44Å
83	L	95.3	Very high	93.2	Very high	78 Å²	78	93.8 Å²	93.8	41%	0.408	47%	0.471	S	S	.	.	H	α-helix	trans	-66.3	-40.8	179.8	-70.7	173.2	0	0	0	112.2	Y79 A80 V81 T85 W86 F125	Y79-L83 WeakPolarHBondContact O-CB 3.19Å; Y79-L83 VanDerWaalsContact O-CG 3.31Å; Y79-L83 WeakPolarHBondContact O-CG 3.48Å; Y79-L83 PolarHBondContact O-N 2.89Å; A80-L83 PolarHBondContact O-N 3.4Å; V81-L83 PolarHBondContact O-N 2.91Å; L83-T85 VanDerWaalsContact C-N 3.26Å; L83-T85 PolarHBondContact O-N 2.82Å; L83-W86 VanDerWaalsContact O-CB 3.29Å; L83-W86 WeakPolarHBondContact O-CB 3.44Å; L83-W86 PolarHBondContact O-N 3.47Å; L83-F125 HydrophobicContact CD1-CE1 4.02Å; L83-F125 HydrophobicContact CD1-CE2 4Å; L83-F125 HydrophobicContact CD1-CZ 3.67Å
84	Y	96.6	Very high	92.9	Very high	207 Å²	207	93 Å²	93	81%	0.812	47%	0.472	S	S	*	.	H	α-helix	trans	-61.9	-37	176.8	178	-103.7	0	0	0	112.3	A80 V81	A80-Y84 WeakPolarHBondContact O-CB 3.09Å; A80-Y84 PolarHBondContact O-N 2.94Å; V81-Y84 PolarHBondContact O-N 2.93Å
85	T	95.5	Very high	92.6	Very high	73 Å²	73	93.4 Å²	93.4	45%	0.448	47%	0.474	S	S	.	.	H	α-helix	trans	-91.2	-3.3	-179.7	58.6	0	0	0	0	113.6	V81 M82 L83 R87	V81-T85 WeakPolarHBondContact O-CB 3.37Å; V81-T85 WeakPolarHBondContact O-CG2 3.41Å; V81-T85 PolarHBondContact O-N 3.36Å; V81-T85 PolarHBondContact O-OG1 3.08Å; M82-T85 CarbonylContact O-C 3.59Å; M82-T85 PolarHBondContact O-N 3.33Å; M82-T85 PolarHBondContact O-OG1 3.14Å; L83-T85 VanDerWaalsContact C-N 3.26Å; L83-T85 PolarHBondContact O-N 2.82Å; T85-R87 PolarHBondContact O-N 3.45Å; T85-R87 PolarHBondContact O-NH1 2.87Å
86	W	94.6	Very high	92.3	Very high	84 Å²	84	91.5 Å²	91.5	32%	0.318	47%	0.467	S	S	.	.			trans	-61.9	130.2	-175.8	-166.9	-87.8	0	0	0	111.8	M82 L83 E118 K121 L122	M82-W86 HydrophobicContact CE-CE3 4.38Å; M82-W86 HydrophobicContact CE-CZ3 4.3Å; M82-W86 HydrophobicContact CG-CE3 4.05Å; M82-W86 HydrophobicContact CG-CZ3 4.24Å; M82-W86 WeakPolarHBondContact O-CB 3.45Å; M82-W86 PolarHBondContact O-N 2.99Å; M82-W86 HydrophobicContact SD-CE3 4.38Å; M82-W86 HydrophobicContact SD-CZ3 4.07Å; L83-W86 VanDerWaalsContact O-CB 3.29Å; L83-W86 WeakPolarHBondContact O-CB 3.44Å; L83-W86 PolarHBondContact O-N 3.47Å; W86-E118 HydrophobicContact CH2-CB 3.95Å; W86-E118 WeakPolarHBondContact CH2-O 3.26Å; W86-E118 WeakPolarHBondContact CH2-OE2 3.42Å; W86-E118 HydrophobicContact CZ2-CB 4.11Å; W86-E118 WeakPolarHBondContact CZ3-OE2 3.43Å; W86-K121 HydrophobicContact CH2-CB 4.18Å; W86-K121 HydrophobicContact CH2-CD 4.38Å; W86-K121 HydrophobicContact CZ3-CB 3.94Å; W86-K121 HydrophobicContact CZ3-CD 3.89Å; W86-L122 HydrophobicContact CH2-CD1 4.24Å; W86-L122 HydrophobicContact CH2-CD2 3.89Å; W86-L122 HydrophobicContact CH2-CG 3.7Å; W86-L122 HydrophobicContact CZ2-CD1 3.98Å; W86-L122 HydrophobicContact CZ2-CD2 4.01Å; W86-L122 HydrophobicContact CZ2-CG 3.92Å; W86-L122 HydrophobicContact CZ3-CD2 4.28Å; W86-L122 HydrophobicContact CZ3-CG 4.46Å
87	R	92.4	Very high	91.9	Very high	205 Å²	205	99.9 Å²	99.9	77%	0.774	50%	0.498	S	S	*	.			trans	-127.9	133.2	176.2	-72.5	-173.9	170.6	78.2	-1.8	110.3	T85 C89	T85-R87 PolarHBondContact O-N 3.45Å; T85-R87 PolarHBondContact O-NH1 2.87Å; R87-C89 PolarHBondContact O-N 3.25Å
88	S	86.7	Confident	91.5	Very high	89 Å²	89	97.3 Å²	97.3	62%	0.622	49%	0.493	S	S	*	.			trans	-66.8	128.6	177.4	-172.8	0	0	0	0	111.1	S90	S88-S90 WeakPolarHBondContact OG-CB 3.42Å; S88-S90 PolarHBondContact OG-N 3.15Å; S88-S90 PolarHBondContact OG-OG 3.4Å
89	C	86.1	Confident	91	Very high	38 Å²	38	96.5 Å²	96.5	26%	0.257	49%	0.493	S	S	.	.			trans	-88.4	-1	170.5	57.2	0	0	0	0	113.1	R87 R91 A92 I93 L115	R87-C89 PolarHBondContact O-N 3.25Å; C89-R91 PolarHBondContact O-N 3.35Å; C89-R91 VanDerWaalsContact O-N 3.12Å; C89-A92 PolarHBondContact O-N 3.43Å; C89-I93 HydrophobicContact CB-CD1 4.41Å; C89-I93 WeakPolarHBondContact O-CG1 3.42Å; C89-I93 PolarHBondContact O-N 2.96Å; C89-I93 VanDerWaalsContact O-N 3.11Å; C89-L115 WeakPolarHBondContact SG-CD2 3.44Å
90	S	84.6	Confident	90.6	Very high	67 Å²	67	103.5 Å²	103.5	47%	0.469	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.9	-175.5	57.3	0	0	0	0	114	S88	S88-S90 WeakPolarHBondContact OG-CB 3.42Å; S88-S90 PolarHBondContact OG-N 3.15Å; S88-S90 PolarHBondContact OG-OG 3.4Å
91	R	87.3	Confident	90.2	Very high	243 Å²	243	103 Å²	103	92%	0.917	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-24.6	178	-64	-173.5	-172.5	175.9	2.8	113.6	C89	C89-R91 PolarHBondContact O-N 3.35Å; C89-R91 VanDerWaalsContact O-N 3.12Å
92	A	87.3	Confident	89.9	Confident	84 Å²	84	105.8 Å²	105.8	69%	0.694	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-21.5	-178.1	0	0	0	0	0	112.2	C89 P94	C89-A92 PolarHBondContact O-N 3.43Å; A92-P94 WeakPolarHBondContact O-CD 3.44Å
93	I	87.9	Confident	89.8	Confident	24 Å²	24	107.5 Å²	107.5	12%	0.123	55%	0.546	C	S	.	.	S	Bend	trans	-71.9	120.9	-179.8	-70	160.8	0	0	0	110.2	C89 Q95 T111 L115	C89-I93 HydrophobicContact CB-CD1 4.41Å; C89-I93 WeakPolarHBondContact O-CG1 3.42Å; C89-I93 PolarHBondContact O-N 2.96Å; C89-I93 VanDerWaalsContact O-N 3.11Å; I93-Q95 PolarHBondContact O-N 2.89Å; I93-T111 HydrophobicContact CG2-CG2 3.77Å; I93-L115 HydrophobicContact CD1-CD1 4.06Å; I93-L115 HydrophobicContact CD1-CD2 3.61Å; I93-L115 HydrophobicContact CD1-CG 3.88Å
94	P	88.1	Confident	89.7	Confident	83 Å²	83	108.1 Å²	108.1	54%	0.539	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-60	134	175.2	-21.8	33.3	0	0	0	111.6	A92 I107	A92-P94 WeakPolarHBondContact O-CD 3.44Å; P94-I107 HydrophobicContact CB-CG2 4.22Å; P94-I107 WeakPolarHBondContact O-CG2 3.49Å
95	Q	86.6	Confident	89.5	Confident	141 Å²	141	102.2 Å²	102.2	66%	0.659	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-97.8	137	176.7	-62.9	-66.5	-34.1	0	0	110.3	I93 K97	I93-Q95 PolarHBondContact O-N 2.89Å; Q95-K97 PolarHBondContact O-N 2.98Å
96	V	90.4	Very high	89.4	Confident	33 Å²	33	104 Å²	104	20%	0.2	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-68.5	124.4	172	176.7	0	0	0	0	108.7	C98 R104 I107 Y108	V96-C98 WeakPolarHBondContact CG1-O 3.47Å; V96-R104 HydrophobicContact CG1-CB 4.44Å; V96-R104 HydrophobicContact CG1-CG 3.79Å; V96-R104 HydrophobicContact CG2-CG 3.99Å; V96-I107 HydrophobicContact CG2-CB 4.31Å; V96-I107 HydrophobicContact CG2-CG2 3.91Å; V96-Y108 HydrophobicContact CG2-CE1 4.03Å; V96-Y108 HydrophobicContact CG2-CE2 4.03Å
97	K	88.7	Confident	89.3	Confident	194 Å²	194	100.8 Å²	100.8	84%	0.843	52%	0.521	S	S	*	.			trans	-86.2	-35.1	-175.1	-65.2	-176.8	180	178.3	0	113.1	Q95	Q95-K97 PolarHBondContact O-N 2.98Å
98	C	89.8	Confident	89.3	Confident	68 Å²	68	97 Å²	97	46%	0.459	51%	0.507	S	S	.	.			trans	-152.8	163.1	177.4	70.5	0	0	0	0	110.9	V96 E100 Q101	V96-C98 WeakPolarHBondContact CG1-O 3.47Å; C98-E100 PolarHBondContact O-N 2.91Å; C98-Q101 WeakPolarHBondContact O-CB 3.4Å; C98-Q101 PolarHBondContact O-N 2.97Å
99	N	85	Confident	89.7	Confident	126 Å²	126	98.9 Å²	98.9	67%	0.674	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-27	179.6	-75.6	-21.4	0	0	0	113	Q101 R104	N99-Q101 VanDerWaalsContact C-N 3.27Å; N99-Q101 PolarHBondContact O-N 3.45Å; N99-R104 PolarHBondContact O-NH1 3.42Å
100	E	89.6	Confident	90	Very high	181 Å²	181	102 Å²	102	85%	0.846	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	4.2	-177.3	-62.1	179.5	166.8	0	0	113.3	C98 P102	C98-E100 PolarHBondContact O-N 2.91Å; E100-P102 WeakPolarHBondContact O-CD 3.38Å
101	Q	90	Very high	90.4	Very high	37 Å²	37	100.1 Å²	100.1	17%	0.173	50%	0.501	C	S	.	.			trans	-62.1	122.6	-179.2	-178.6	170.7	-9.3	0	0	111.1	C98 N99 N103 R104	C98-Q101 WeakPolarHBondContact O-CB 3.4Å; C98-Q101 PolarHBondContact O-N 2.97Å; N99-Q101 VanDerWaalsContact C-N 3.27Å; N99-Q101 PolarHBondContact O-N 3.45Å; Q101-N103 VanDerWaalsContact C-N 3.33Å; Q101-N103 WeakPolarHBondContact CG-OD1 3.29Å; Q101-N103 PolarHBondContact NE2-OD1 3.24Å; Q101-N103 PolarHBondContact O-N 3Å; Q101-R104 HydrophobicContact CB-CB 4.41Å; Q101-R104 VanDerWaalsContact O-CB 3.23Å; Q101-R104 WeakPolarHBondContact O-CB 3.49Å; Q101-R104 PolarHBondContact O-N 3.42Å; Q101-R104 VanDerWaalsContact O-N 3.14Å
102	P	91.1	Very high	90.7	Very high	136 Å²	136	93 Å²	93	88%	0.883	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.4	-172.9	-26.6	33.9	0	0	0	114.4	E100	E100-P102 WeakPolarHBondContact O-CD 3.38Å
103	N	92.6	Very high	91	Very high	67 Å²	67	94.1 Å²	94.1	36%	0.358	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	21.5	-178.3	68.4	-33.5	0	0	0	113.6	Q101 V105 E106 I107	Q101-N103 VanDerWaalsContact C-N 3.33Å; Q101-N103 WeakPolarHBondContact CG-OD1 3.29Å; Q101-N103 PolarHBondContact NE2-OD1 3.24Å; Q101-N103 PolarHBondContact O-N 3Å; N103-V105 VanDerWaalsContact C-N 3.34Å; N103-V105 PolarHBondContact O-N 3.31Å; N103-E106 HydrophobicContact CB-CB 4.46Å; N103-E106 PolarHBondContact O-N 3.17Å; N103-I107 WeakPolarHBondContact O-CG1 3.33Å; N103-I107 PolarHBondContact O-N 3.17Å
104	R	93.2	Very high	91.2	Very high	91 Å²	91	96.6 Å²	96.6	34%	0.343	49%	0.492	S	S	.	.	H	α-helix	trans	-56.9	-44.8	-178.7	179.6	-175.1	76.5	-163.3	4.6	112.9	V96 N99 Q101 I107 Y108	V96-R104 HydrophobicContact CG1-CB 4.44Å; V96-R104 HydrophobicContact CG1-CG 3.79Å; V96-R104 HydrophobicContact CG2-CG 3.99Å; N99-R104 PolarHBondContact O-NH1 3.42Å; Q101-R104 HydrophobicContact CB-CB 4.41Å; Q101-R104 VanDerWaalsContact O-CB 3.23Å; Q101-R104 WeakPolarHBondContact O-CB 3.49Å; Q101-R104 PolarHBondContact O-N 3.42Å; Q101-R104 VanDerWaalsContact O-N 3.14Å; R104-I107 PolarHBondContact O-N 3.28Å; R104-Y108 HydrophobicContact CG-CD2 3.99Å; R104-Y108 HydrophobicContact CG-CE2 3.53Å; R104-Y108 WeakPolarHBondContact O-CD2 3.34Å; R104-Y108 PolarHBondContact O-N 3.37Å
105	V	92.4	Very high	91.5	Very high	82 Å²	82	95.4 Å²	95.4	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-64.7	-47.5	-178.8	178.6	0	0	0	0	110.2	N103 I107 Y108 E109	N103-V105 VanDerWaalsContact C-N 3.34Å; N103-V105 PolarHBondContact O-N 3.31Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 3.3Å; V105-Y108 PolarHBondContact O-N 3.07Å; V105-Y108 VanDerWaalsContact O-N 3.07Å; V105-E109 HydrophobicContact CG1-CG 4.33Å; V105-E109 WeakPolarHBondContact O-CG 3.47Å; V105-E109 PolarHBondContact O-N 3.05Å
106	E	93.5	Very high	91.9	Very high	111 Å²	111	94.7 Å²	94.7	52%	0.519	48%	0.477	S	S	.	.	H	α-helix	trans	-58	-41.6	177.2	-174.2	-174.7	-178.7	0	0	112	N103 Y108 E109 K110	N103-E106 HydrophobicContact CB-CB 4.46Å; N103-E106 PolarHBondContact O-N 3.17Å; E106-Y108 VanDerWaalsContact C-N 3.34Å; E106-Y108 PolarHBondContact O-N 3.47Å; E106-E109 PolarHBondContact O-N 3.29Å; E106-K110 WeakPolarHBondContact O-CB 3.38Å; E106-K110 WeakPolarHBondContact O-CG 3.39Å; E106-K110 PolarHBondContact O-N 3.45Å
107	I	92.5	Very high	92.1	Very high	17 Å²	17	96 Å²	96	9%	0.087	49%	0.486	C	S	.	.	H	α-helix	trans	-60.3	-43.5	175.7	-71.2	168.1	0	0	0	111.3	P94 V96 N103 R104 V105 T111	P94-I107 HydrophobicContact CB-CG2 4.22Å; P94-I107 WeakPolarHBondContact O-CG2 3.49Å; V96-I107 HydrophobicContact CG2-CB 4.31Å; V96-I107 HydrophobicContact CG2-CG2 3.91Å; N103-I107 WeakPolarHBondContact O-CG1 3.33Å; N103-I107 PolarHBondContact O-N 3.17Å; R104-I107 PolarHBondContact O-N 3.28Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 3.3Å; I107-T111 VanDerWaalsContact O-CB 3.32Å; I107-T111 WeakPolarHBondContact O-CB 3.46Å; I107-T111 PolarHBondContact O-N 3.24Å; I107-T111 PolarHBondContact O-OG1 2.78Å
108	Y	92.6	Very high	92.3	Very high	126 Å²	126	89.1 Å²	89.1	49%	0.494	46%	0.457	S	S	.	.	H	α-helix	trans	-67.6	-45.1	178.4	-72.1	-53	0	0	0	112.2	V96 R104 V105 E106 K110 T111 V112	V96-Y108 HydrophobicContact CG2-CE1 4.03Å; V96-Y108 HydrophobicContact CG2-CE2 4.03Å; R104-Y108 HydrophobicContact CG-CD2 3.99Å; R104-Y108 HydrophobicContact CG-CE2 3.53Å; R104-Y108 WeakPolarHBondContact O-CD2 3.34Å; R104-Y108 PolarHBondContact O-N 3.37Å; V105-Y108 PolarHBondContact O-N 3.07Å; V105-Y108 VanDerWaalsContact O-N 3.07Å; E106-Y108 VanDerWaalsContact C-N 3.34Å; E106-Y108 PolarHBondContact O-N 3.47Å; Y108-K110 VanDerWaalsContact C-N 3.34Å; Y108-K110 PolarHBondContact O-N 3.15Å; Y108-T111 WeakPolarHBondContact O-CB 3.28Å; Y108-T111 PolarHBondContact O-N 3.33Å; Y108-T111 VanDerWaalsContact O-N 3.14Å; Y108-V112 PolarHBondContact O-N 2.73Å
109	E	94.1	Very high	92.6	Very high	128 Å²	128	90.1 Å²	90.1	60%	0.598	46%	0.46	S	S	*	.	H	α-helix	trans	-57.9	-47.9	177.1	-71.9	174.8	164.4	0	0	111	V105 E106 T111 V112 E113	V105-E109 HydrophobicContact CG1-CG 4.33Å; V105-E109 WeakPolarHBondContact O-CG 3.47Å; V105-E109 PolarHBondContact O-N 3.05Å; E106-E109 PolarHBondContact O-N 3.29Å; E109-T111 VanDerWaalsContact C-N 3.32Å; E109-T111 PolarHBondContact O-N 2.99Å; E109-V112 PolarHBondContact O-N 2.96Å; E109-E113 PolarHBondContact O-N 2.87Å
110	K	93.3	Very high	93.1	Very high	103 Å²	103	87.3 Å²	87.3	45%	0.448	45%	0.448	S	S	.	.	H	α-helix	trans	-66.1	-32.8	176.1	-68.8	-53	-174.7	-175.7	0	113.3	E106 Y108 E113 V114	E106-K110 WeakPolarHBondContact O-CB 3.38Å; E106-K110 WeakPolarHBondContact O-CG 3.39Å; E106-K110 PolarHBondContact O-N 3.45Å; Y108-K110 VanDerWaalsContact C-N 3.34Å; Y108-K110 PolarHBondContact O-N 3.15Å; K110-E113 WeakPolarHBondContact CD-OE2 3.43Å; K110-E113 WeakPolarHBondContact CE-OE2 3.39Å; K110-E113 IonicContact NZ-OE1 2.76Å; K110-E113 PolarHBondContact NZ-OE1 3.35Å; K110-E113 IonicContact NZ-OE2 3.22Å; K110-E113 PolarHBondContact NZ-OE2 3.25Å; K110-E113 PolarHBondContact O-N 3.15Å; K110-V114 WeakPolarHBondContact O-CB 3.5Å; K110-V114 VanDerWaalsContact O-CG2 3.24Å; K110-V114 WeakPolarHBondContact O-CG2 3.44Å; K110-V114 PolarHBondContact O-N 3.4Å
111	T	93.4	Very high	93.4	Very high	28 Å²	28	82.7 Å²	82.7	17%	0.172	43%	0.425	C	S	.	.	H	α-helix	trans	-63.9	-43.5	174.6	-62.3	0	0	0	0	111.1	I93 I107 Y108 E109 L115	I93-T111 HydrophobicContact CG2-CG2 3.77Å; I107-T111 VanDerWaalsContact O-CB 3.32Å; I107-T111 WeakPolarHBondContact O-CB 3.46Å; I107-T111 PolarHBondContact O-N 3.24Å; I107-T111 PolarHBondContact O-OG1 2.78Å; Y108-T111 WeakPolarHBondContact O-CB 3.28Å; Y108-T111 PolarHBondContact O-N 3.33Å; Y108-T111 VanDerWaalsContact O-N 3.14Å; E109-T111 VanDerWaalsContact C-N 3.32Å; E109-T111 PolarHBondContact O-N 2.99Å; T111-L115 HydrophobicContact CG2-CD1 3.73Å; T111-L115 HydrophobicContact CG2-CG 4.35Å; T111-L115 VanDerWaalsContact O-CB 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.48Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.48Å; T111-L115 PolarHBondContact O-N 2.81Å
112	V	93.4	Very high	93.7	Very high	93 Å²	93	84.6 Å²	84.6	56%	0.564	44%	0.436	S	S	*	.	H	α-helix	trans	-63.7	-49.7	175.9	174.3	0	0	0	0	110.5	Y108 E109 V114 L115 E116	Y108-V112 PolarHBondContact O-N 2.73Å; E109-V112 PolarHBondContact O-N 2.96Å; V112-V114 VanDerWaalsContact C-N 3.27Å; V112-V114 PolarHBondContact O-N 3.29Å; V112-L115 PolarHBondContact O-N 3.01Å; V112-L115 VanDerWaalsContact O-N 3.15Å; V112-E116 WeakPolarHBondContact O-CB 3.38Å; V112-E116 PolarHBondContact O-N 3.29Å
113	E	93.4	Very high	94	Very high	108 Å²	108	81.7 Å²	81.7	51%	0.505	41%	0.412	S	S	.	.	H	α-helix	trans	-54.8	-41.5	179.3	-175.7	-176	149.6	0	0	112.5	E109 K110 P117	E109-E113 PolarHBondContact O-N 2.87Å; K110-E113 WeakPolarHBondContact CD-OE2 3.43Å; K110-E113 WeakPolarHBondContact CE-OE2 3.39Å; K110-E113 IonicContact NZ-OE1 2.76Å; K110-E113 PolarHBondContact NZ-OE1 3.35Å; K110-E113 IonicContact NZ-OE2 3.22Å; K110-E113 PolarHBondContact NZ-OE2 3.25Å; K110-E113 PolarHBondContact O-N 3.15Å; E113-P117 VanDerWaalsContact O-CD 3.3Å; E113-P117 WeakPolarHBondContact O-CD 3.49Å
114	V	92.6	Very high	94.3	Very high	76 Å²	76	82 Å²	82	46%	0.461	41%	0.414	S	S	.	.	H	α-helix	trans	-76.1	-36	179.9	171.3	0	0	0	0	112.4	K110 V112	K110-V114 WeakPolarHBondContact O-CB 3.5Å; K110-V114 VanDerWaalsContact O-CG2 3.24Å; K110-V114 WeakPolarHBondContact O-CG2 3.44Å; K110-V114 PolarHBondContact O-N 3.4Å; V112-V114 VanDerWaalsContact C-N 3.27Å; V112-V114 PolarHBondContact O-N 3.29Å
115	L	93.4	Very high	94.5	Very high	57 Å²	57	80.1 Å²	80.1	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-81.2	-29.1	-177.2	-75	-179.9	0	0	0	113.5	C89 I93 T111 V112 E118 V119	C89-L115 WeakPolarHBondContact SG-CD2 3.44Å; I93-L115 HydrophobicContact CD1-CD1 4.06Å; I93-L115 HydrophobicContact CD1-CD2 3.61Å; I93-L115 HydrophobicContact CD1-CG 3.88Å; T111-L115 HydrophobicContact CG2-CD1 3.73Å; T111-L115 HydrophobicContact CG2-CG 4.35Å; T111-L115 VanDerWaalsContact O-CB 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.48Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.48Å; T111-L115 PolarHBondContact O-N 2.81Å; V112-L115 PolarHBondContact O-N 3.01Å; V112-L115 VanDerWaalsContact O-N 3.15Å; L115-E118 PolarHBondContact O-N 3.49Å; L115-E118 VanDerWaalsContact O-N 3.12Å; L115-V119 WeakPolarHBondContact O-CG2 3.43Å; L115-V119 PolarHBondContact O-N 2.93Å
116	E	94.8	Very high	94.7	Very high	126 Å²	126	80.2 Å²	80.2	59%	0.589	40%	0.404	S	S	*	.	H	α-helix	trans	-51.3	-50	-178.2	-177.5	172.2	-173.4	0	0	114.5	V112 E118 V119 T120	V112-E116 WeakPolarHBondContact O-CB 3.38Å; V112-E116 PolarHBondContact O-N 3.29Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 2.92Å; E116-V119 PolarHBondContact O-N 2.88Å; E116-T120 WeakPolarHBondContact O-CB 3.39Å; E116-T120 PolarHBondContact O-N 3.17Å; E116-T120 PolarHBondContact O-OG1 2.82Å
117	P	94.9	Very high	95	Very high	60 Å²	60	79.9 Å²	79.9	39%	0.39	40%	0.399	S	S	.	.	H	α-helix	trans	-65.8	-34.5	178.4	24.8	-34.8	0	0	0	112.7	E113 T120 K121	E113-P117 VanDerWaalsContact O-CD 3.3Å; E113-P117 WeakPolarHBondContact O-CD 3.49Å; P117-T120 PolarHBondContact O-N 3.38Å; P117-K121 WeakPolarHBondContact O-CG 3.4Å; P117-K121 PolarHBondContact O-N 2.95Å
118	E	93.8	Very high	95.2	Very high	51 Å²	51	80.2 Å²	80.2	24%	0.238	40%	0.4	C	S	.	.	H	α-helix	trans	-71.2	-40.4	178.4	-58.4	-51.1	133.7	0	0	111.4	W86 L115 E116 T120 K121 L122	W86-E118 HydrophobicContact CH2-CB 3.95Å; W86-E118 WeakPolarHBondContact CH2-O 3.26Å; W86-E118 WeakPolarHBondContact CH2-OE2 3.42Å; W86-E118 HydrophobicContact CZ2-CB 4.11Å; W86-E118 WeakPolarHBondContact CZ3-OE2 3.43Å; L115-E118 PolarHBondContact O-N 3.49Å; L115-E118 VanDerWaalsContact O-N 3.12Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 2.92Å; E118-T120 VanDerWaalsContact C-N 3.33Å; E118-T120 PolarHBondContact O-N 3.15Å; E118-K121 PolarHBondContact O-N 3.42Å; E118-K121 IonicContact OE1-NZ 3.76Å; E118-K121 PolarHBondContact OE1-NZ 3.35Å; E118-K121 IonicContact OE2-NZ 3.01Å; E118-K121 PolarHBondContact OE2-NZ 3.44Å; E118-L122 WeakPolarHBondContact O-CG 3.42Å; E118-L122 PolarHBondContact O-N 3.45Å; E118-L122 VanDerWaalsContact O-N 3.15Å
119	V	94.2	Very high	95.5	Very high	88 Å²	88	78.8 Å²	78.8	53%	0.533	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-41.6	173.8	174.1	0	0	0	0	110.6	L115 E116 K121 L122 M123	L115-V119 WeakPolarHBondContact O-CG2 3.43Å; L115-V119 PolarHBondContact O-N 2.93Å; E116-V119 PolarHBondContact O-N 2.88Å; V119-K121 PolarHBondContact O-N 3.48Å; V119-L122 PolarHBondContact O-N 2.97Å; V119-M123 WeakPolarHBondContact O-CB 3.07Å; V119-M123 PolarHBondContact O-N 3.37Å
120	T	96.4	Very high	95.7	Very high	68 Å²	68	79 Å²	79	42%	0.417	39%	0.392	S	S	.	.	H	α-helix	trans	-58.6	-45.4	176.2	-60.4	0	0	0	0	111.9	E116 P117 E118 L122 M123 N124	E116-T120 WeakPolarHBondContact O-CB 3.39Å; E116-T120 PolarHBondContact O-N 3.17Å; E116-T120 PolarHBondContact O-OG1 2.82Å; P117-T120 PolarHBondContact O-N 3.38Å; E118-T120 VanDerWaalsContact C-N 3.33Å; E118-T120 PolarHBondContact O-N 3.15Å; T120-L122 PolarHBondContact O-N 3.29Å; T120-M123 WeakPolarHBondContact O-CB 3.47Å; T120-M123 PolarHBondContact O-N 2.92Å; T120-N124 VanDerWaalsContact O-CG 3.26Å; T120-N124 PolarHBondContact O-N 3.38Å
121	K	95.9	Very high	95.9	Very high	83 Å²	83	77.9 Å²	77.9	36%	0.361	39%	0.392	S	S	.	.	H	α-helix	trans	-57.8	-45.8	175	-73.7	171.8	-167.4	164.5	0	112.4	M82 W86 P117 E118 V119 M123 N124 F125	M82-K121 HydrophobicContact SD-CB 3.81Å; M82-K121 HydrophobicContact SD-CD 4.27Å; M82-K121 HydrophobicContact SD-CG 4.23Å; W86-K121 HydrophobicContact CH2-CB 4.18Å; W86-K121 HydrophobicContact CH2-CD 4.38Å; W86-K121 HydrophobicContact CZ3-CB 3.94Å; W86-K121 HydrophobicContact CZ3-CD 3.89Å; P117-K121 WeakPolarHBondContact O-CG 3.4Å; P117-K121 PolarHBondContact O-N 2.95Å; E118-K121 PolarHBondContact O-N 3.42Å; E118-K121 IonicContact OE1-NZ 3.76Å; E118-K121 PolarHBondContact OE1-NZ 3.35Å; E118-K121 IonicContact OE2-NZ 3.01Å; E118-K121 PolarHBondContact OE2-NZ 3.44Å; V119-K121 PolarHBondContact O-N 3.48Å; K121-M123 VanDerWaalsContact C-N 3.33Å; K121-M123 PolarHBondContact O-N 3.46Å; K121-N124 PolarHBondContact O-N 3.14Å; K121-F125 PolarHBondContact O-N 3.47Å
122	L	95.5	Very high	96	Very high	78 Å²	78	77.7 Å²	77.7	41%	0.408	39%	0.393	S	S	.	.	H	α-helix	trans	-65.5	-37.4	177.8	-67.7	176	0	0	0	112.1	W86 E118 V119 T120 F125 M126	W86-L122 HydrophobicContact CH2-CD1 4.24Å; W86-L122 HydrophobicContact CH2-CD2 3.89Å; W86-L122 HydrophobicContact CH2-CG 3.7Å; W86-L122 HydrophobicContact CZ2-CD1 3.98Å; W86-L122 HydrophobicContact CZ2-CD2 4.01Å; W86-L122 HydrophobicContact CZ2-CG 3.92Å; W86-L122 HydrophobicContact CZ3-CD2 4.28Å; W86-L122 HydrophobicContact CZ3-CG 4.46Å; E118-L122 WeakPolarHBondContact O-CG 3.42Å; E118-L122 PolarHBondContact O-N 3.45Å; E118-L122 VanDerWaalsContact O-N 3.15Å; V119-L122 PolarHBondContact O-N 2.97Å; T120-L122 PolarHBondContact O-N 3.29Å; L122-F125 PolarHBondContact O-N 2.76Å; L122-M126 WeakPolarHBondContact O-CB 3.14Å; L122-M126 PolarHBondContact O-N 2.84Å
123	M	97.9	Very high	96.2	Very high	75 Å²	75	77.6 Å²	77.6	37%	0.369	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-44.9	176.6	-164.2	69.5	-179.4	0	0	111.3	V119 T120 K121 M126 Y127	V119-M123 WeakPolarHBondContact O-CB 3.07Å; V119-M123 PolarHBondContact O-N 3.37Å; T120-M123 WeakPolarHBondContact O-CB 3.47Å; T120-M123 PolarHBondContact O-N 2.92Å; K121-M123 VanDerWaalsContact C-N 3.33Å; K121-M123 PolarHBondContact O-N 3.46Å; M123-M126 HydrophobicContact CE-CE 3.52Å; M123-M126 WeakPolarHBondContact O-CB 3.17Å; M123-M126 PolarHBondContact O-N 3.32Å; M123-M126 HydrophobicContact SD-CE 3.69Å; M123-M126 HydrophobicContact SD-SD 4.5Å; M123-Y127 HydrophobicContact CE-CE1 4.13Å; M123-Y127 HydrophobicContact CE-CE2 3.73Å; M123-Y127 WeakPolarHBondContact CE-OH 3.21Å; M123-Y127 HydrophobicContact CG-CD2 4.09Å; M123-Y127 HydrophobicContact CG-CE2 3.59Å; M123-Y127 WeakPolarHBondContact O-CD2 3.09Å; M123-Y127 PolarHBondContact O-N 3.29Å; M123-Y127 HydrophobicContact SD-CE2 4.4Å
124	N	98.1	Very high	96.3	Very high	74 Å²	74	77.9 Å²	77.9	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-44.4	176.1	-68.2	-12.9	0	0	0	111.1	Y79 T120 K121 M126 Y127 F128	Y79-N124 HydrophobicContact CE1-CB 4.35Å; T120-N124 VanDerWaalsContact O-CG 3.26Å; T120-N124 PolarHBondContact O-N 3.38Å; K121-N124 PolarHBondContact O-N 3.14Å; N124-M126 VanDerWaalsContact C-N 3.34Å; N124-M126 PolarHBondContact O-N 3.41Å; N124-Y127 PolarHBondContact O-N 2.97Å; N124-F128 WeakPolarHBondContact O-CB 3.23Å; N124-F128 PolarHBondContact O-N 3.35Å
125	F	98	Very high	96.4	Very high	50 Å²	50	77 Å²	77	22%	0.219	38%	0.378	C	S	.	.	H	α-helix	trans	-59.6	-42.4	174.6	176.1	-118	0	0	0	112.7	Y79 M82 L83 K121 L122 Y127 F128 Q129	Y79-F125 HydrophobicContact CD1-CB 3.78Å; Y79-F125 AromaticContact CD1-CD2 3.77Å; Y79-F125 HydrophobicContact CD1-CD2 3.77Å; Y79-F125 HydrophobicContact CD1-CG 4.2Å; Y79-F125 HydrophobicContact CD2-CD2 4.22Å; Y79-F125 HydrophobicContact CE1-CB 3.87Å; Y79-F125 HydrophobicContact CE1-CD2 4.48Å; Y79-F125 HydrophobicContact CG-CB 4.47Å; Y79-F125 AromaticContact CG-CD2 3.63Å; Y79-F125 HydrophobicContact CG-CD2 3.63Å; Y79-F125 HydrophobicContact CG-CE2 4.41Å; Y79-F125 HydrophobicContact CG-CG 4.49Å; M82-F125 HydrophobicContact CE-CB 4.15Å; M82-F125 HydrophobicContact CE-CG 4.44Å; L83-F125 HydrophobicContact CD1-CE1 4.02Å; L83-F125 HydrophobicContact CD1-CE2 4Å; L83-F125 HydrophobicContact CD1-CZ 3.67Å; K121-F125 PolarHBondContact O-N 3.47Å; L122-F125 PolarHBondContact O-N 2.76Å; F125-Y127 VanDerWaalsContact C-N 3.34Å; F125-Y127 PolarHBondContact O-N 3.12Å; F125-F128 HydrophobicContact CD2-CD1 4.37Å; F125-F128 HydrophobicContact CE2-CD1 4.48Å; F125-F128 PolarHBondContact O-N 3.45Å; F125-Q129 WeakPolarHBondContact O-CB 3.47Å; F125-Q129 PolarHBondContact O-N 3.18Å
126	M	98	Very high	96.4	Very high	85 Å²	85	79 Å²	79	42%	0.419	38%	0.384	S	S	.	.	H	α-helix	trans	-61.1	-43.1	175.9	-176.8	-160.4	69	0	0	111.7	L122 M123 N124 Q129 R130	L122-M126 WeakPolarHBondContact O-CB 3.14Å; L122-M126 PolarHBondContact O-N 2.84Å; M123-M126 HydrophobicContact CE-CE 3.52Å; M123-M126 WeakPolarHBondContact O-CB 3.17Å; M123-M126 PolarHBondContact O-N 3.32Å; M123-M126 HydrophobicContact SD-CE 3.69Å; M123-M126 HydrophobicContact SD-SD 4.5Å; N124-M126 VanDerWaalsContact C-N 3.34Å; N124-M126 PolarHBondContact O-N 3.41Å; M126-Q129 PolarHBondContact O-N 2.84Å; M126-R130 PolarHBondContact O-N 3.09Å; M126-R130 VanDerWaalsContact O-N 3.08Å
127	Y	98.3	Very high	96.4	Very high	103 Å²	103	75.2 Å²	75.2	40%	0.404	37%	0.372	S	S	.	.	H	α-helix	trans	-65.7	-43.7	176.9	-71.7	-48.6	0	0	0	112.4	M123 N124 F125 R130 N131	M123-Y127 HydrophobicContact CE-CE1 4.13Å; M123-Y127 HydrophobicContact CE-CE2 3.73Å; M123-Y127 WeakPolarHBondContact CE-OH 3.21Å; M123-Y127 HydrophobicContact CG-CD2 4.09Å; M123-Y127 HydrophobicContact CG-CE2 3.59Å; M123-Y127 WeakPolarHBondContact O-CD2 3.09Å; M123-Y127 PolarHBondContact O-N 3.29Å; M123-Y127 HydrophobicContact SD-CE2 4.4Å; N124-Y127 PolarHBondContact O-N 2.97Å; F125-Y127 VanDerWaalsContact C-N 3.34Å; F125-Y127 PolarHBondContact O-N 3.12Å; Y127-R130 VanDerWaalsContact CD1-NH2 3.31Å; Y127-R130 PolarHBondContact O-N 3.29Å; Y127-N131 WeakPolarHBondContact O-CB 3.43Å; Y127-N131 PolarHBondContact O-N 3.1Å
128	F	98.1	Very high	96.4	Very high	25 Å²	25	73.7 Å²	73.7	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-56.7	-51.3	173.4	168.9	-98.7	0	0	0	111	M72 E75 Y79 N124 F125 R130 N131 A132	M72-F128 HydrophobicContact CG-CE2 3.78Å; M72-F128 HydrophobicContact CG-CZ 4.18Å; M72-F128 WeakPolarHBondContact O-CE2 3.14Å; M72-F128 WeakPolarHBondContact O-CZ 3.25Å; E75-F128 HydrophobicContact CB-CD2 4.33Å; E75-F128 HydrophobicContact CB-CE2 3.93Å; E75-F128 HydrophobicContact CG-CD2 3.92Å; E75-F128 HydrophobicContact CG-CE2 4.03Å; E75-F128 WeakPolarHBondContact OE1-CD2 3.14Å; E75-F128 WeakPolarHBondContact OE2-CD2 3.21Å; Y79-F128 HydrophobicContact CD2-CB 3.98Å; Y79-F128 AromaticContact CD2-CD1 3.48Å; Y79-F128 HydrophobicContact CD2-CD1 3.48Å; Y79-F128 VanDerWaalsContact CD2-CD1 3.48Å; Y79-F128 HydrophobicContact CD2-CD2 4.08Å; Y79-F128 AromaticContact CD2-CE1 3.98Å; Y79-F128 HydrophobicContact CD2-CE1 3.98Å; Y79-F128 HydrophobicContact CD2-CE2 4.49Å; Y79-F128 AromaticContact CD2-CG 3.55Å; Y79-F128 HydrophobicContact CD2-CG 3.55Å; Y79-F128 HydrophobicContact CD2-CZ 4.46Å; Y79-F128 HydrophobicContact CE2-CB 3.34Å; Y79-F128 AromaticContact CE2-CD1 3.78Å; Y79-F128 HydrophobicContact CE2-CD1 3.78Å; Y79-F128 AromaticContact CE2-CD2 3.74Å; Y79-F128 HydrophobicContact CE2-CD2 3.74Å; Y79-F128 AromaticContact CE2-CG 3.31Å; Y79-F128 HydrophobicContact CE2-CG 3.31Å; Y79-F128 HydrophobicContact CG-CD1 4.4Å; N124-F128 WeakPolarHBondContact O-CB 3.23Å; N124-F128 PolarHBondContact O-N 3.35Å; F125-F128 HydrophobicContact CD2-CD1 4.37Å; F125-F128 HydrophobicContact CE2-CD1 4.48Å; F125-F128 PolarHBondContact O-N 3.45Å; F128-R130 VanDerWaalsContact C-N 3.3Å; F128-R130 PolarHBondContact O-N 2.84Å; F128-N131 PolarHBondContact O-N 3.11Å; F128-N131 VanDerWaalsContact O-N 3.14Å; F128-A132 HydrophobicContact CE1-CB 4.44Å; F128-A132 HydrophobicContact CZ-CB 4.31Å; F128-A132 WeakPolarHBondContact O-CB 3.45Å; F128-A132 PolarHBondContact O-N 3.35Å
129	Q	97.7	Very high	96.2	Very high	95 Å²	95	72 Å²	72	44%	0.444	36%	0.359	S	S	.	.	H	α-helix	trans	-55.8	-45.4	179.7	-177.9	-173.2	-5.2	0	0	111.5	F125 M126 A132 I133	F125-Q129 WeakPolarHBondContact O-CB 3.47Å; F125-Q129 PolarHBondContact O-N 3.18Å; M126-Q129 PolarHBondContact O-N 2.84Å; Q129-A132 PolarHBondContact O-N 2.85Å; Q129-I133 HydrophobicContact CG-CD1 3.95Å; Q129-I133 VanDerWaalsContact O-CG1 3.25Å; Q129-I133 WeakPolarHBondContact O-CG1 3.36Å; Q129-I133 PolarHBondContact O-N 2.94Å
130	R	98	Very high	96.1	Very high	132 Å²	132	70.4 Å²	70.4	50%	0.498	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-48.6	177.5	-177.2	178.9	65.5	-162.9	0.9	111.4	M126 Y127 F128 A132 I133 E134	M126-R130 PolarHBondContact O-N 3.09Å; M126-R130 VanDerWaalsContact O-N 3.08Å; Y127-R130 VanDerWaalsContact CD1-NH2 3.31Å; Y127-R130 PolarHBondContact O-N 3.29Å; F128-R130 VanDerWaalsContact C-N 3.3Å; F128-R130 PolarHBondContact O-N 2.84Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 3.26Å; R130-I133 PolarHBondContact O-N 3.16Å; R130-E134 WeakPolarHBondContact CG-OE1 3.37Å; R130-E134 WeakPolarHBondContact O-CB 3.31Å; R130-E134 WeakPolarHBondContact O-CG 3.28Å; R130-E134 PolarHBondContact O-N 2.85Å
131	N	97.2	Very high	95.9	Very high	81 Å²	81	75.6 Å²	75.6	43%	0.433	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-43.4	178.9	-174.9	24.5	0	0	0	111.5	Y127 F128 E134 R135	Y127-N131 WeakPolarHBondContact O-CB 3.43Å; Y127-N131 PolarHBondContact O-N 3.1Å; F128-N131 PolarHBondContact O-N 3.11Å; F128-N131 VanDerWaalsContact O-N 3.14Å; N131-E134 PolarHBondContact O-N 2.84Å; N131-R135 WeakPolarHBondContact O-CB 3.43Å; N131-R135 PolarHBondContact O-N 3.44Å
132	A	96.4	Very high	95.6	Very high	24 Å²	24	73.8 Å²	73.8	20%	0.198	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-44.7	178.7	0	0	0	0	0	112.3	M72 F128 Q129 R130 R135 F136	M72-A132 HydrophobicContact CG-CB 4.38Å; M72-A132 VanDerWaalsContact SD-CA 3.53Å; M72-A132 HydrophobicContact SD-CB 3.77Å; F128-A132 HydrophobicContact CE1-CB 4.44Å; F128-A132 HydrophobicContact CZ-CB 4.31Å; F128-A132 WeakPolarHBondContact O-CB 3.45Å; F128-A132 PolarHBondContact O-N 3.35Å; Q129-A132 PolarHBondContact O-N 2.85Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 3.26Å; A132-R135 PolarHBondContact O-N 2.86Å; A132-F136 VanDerWaalsContact O-CB 3.29Å; A132-F136 WeakPolarHBondContact O-CB 3.43Å; A132-F136 PolarHBondContact O-N 3.07Å
133	I	96.7	Very high	95.2	Very high	90 Å²	90	72 Å²	72	46%	0.462	34%	0.343	S	S	.	.	H	α-helix	trans	-62	-47.3	175.6	-69	166.7	0	0	0	110.8	Q129 R130 R135 F136 C137	Q129-I133 HydrophobicContact CG-CD1 3.95Å; Q129-I133 VanDerWaalsContact O-CG1 3.25Å; Q129-I133 WeakPolarHBondContact O-CG1 3.36Å; Q129-I133 PolarHBondContact O-N 2.94Å; R130-I133 PolarHBondContact O-N 3.16Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.27Å; I133-F136 PolarHBondContact O-N 3.33Å; I133-C137 VanDerWaalsContact O-CB 3.28Å; I133-C137 WeakPolarHBondContact O-CB 3.48Å; I133-C137 PolarHBondContact O-N 2.9Å; I133-C137 PolarHBondContact O-SG 2.96Å
134	E	96.9	Very high	94.8	Very high	114 Å²	114	72.3 Å²	72.3	53%	0.533	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-45.3	-180	-77	175.5	-169.8	0	0	111.3	R130 N131 G138	R130-E134 WeakPolarHBondContact CG-OE1 3.37Å; R130-E134 WeakPolarHBondContact O-CB 3.31Å; R130-E134 WeakPolarHBondContact O-CG 3.28Å; R130-E134 PolarHBondContact O-N 2.85Å; N131-E134 PolarHBondContact O-N 2.84Å; E134-G138 PolarHBondContact O-N 3.44Å
135	R	94.3	Very high	94.5	Very high	59 Å²	59	73.2 Å²	73.2	22%	0.223	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-50.4	178.7	-175.2	55.3	173.2	-77.4	-9.2	111.8	V65 S68 M72 N131 A132 I133 C137 G138 E139	V65-R135 PolarHBondContact O-NH2 3.42Å; S68-R135 PolarHBondContact OG-NH1 3.46Å; S68-R135 PolarHBondContact OG-NH2 2.93Å; M72-R135 HydrophobicContact CE-CB 3.82Å; M72-R135 HydrophobicContact CE-CG 4.07Å; M72-R135 HydrophobicContact SD-CB 4.22Å; M72-R135 HydrophobicContact SD-CG 4.42Å; N131-R135 WeakPolarHBondContact O-CB 3.43Å; N131-R135 PolarHBondContact O-N 3.44Å; A132-R135 PolarHBondContact O-N 2.86Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.27Å; R135-C137 VanDerWaalsContact C-N 3.34Å; R135-C137 PolarHBondContact O-N 3.37Å; R135-G138 WeakPolarHBondContact O-CA 3.18Å; R135-G138 PolarHBondContact O-N 3.01Å; R135-G138 VanDerWaalsContact O-N 3.08Å; R135-E139 IonicContact CZ-OE1 3.45Å; R135-E139 IonicContact NE-OE1 2.84Å; R135-E139 PolarHBondContact NE-OE1 2.89Å; R135-E139 WeakPolarHBondContact O-CG 3.27Å; R135-E139 PolarHBondContact O-N 3.41Å
136	F	93.9	Very high	94	Very high	97 Å²	97	74.4 Å²	74.4	43%	0.425	37%	0.372	S	S	.	.	H	α-helix	trans	-54.8	-50.5	176.5	174.6	-98.5	0	0	0	111.3	A132 I133 G138 E139 V140 L161	A132-F136 VanDerWaalsContact O-CB 3.29Å; A132-F136 WeakPolarHBondContact O-CB 3.43Å; A132-F136 PolarHBondContact O-N 3.07Å; I133-F136 PolarHBondContact O-N 3.33Å; F136-G138 VanDerWaalsContact C-N 3.26Å; F136-G138 PolarHBondContact O-N 3.04Å; F136-E139 PolarHBondContact O-N 3.44Å; F136-V140 HydrophobicContact CD1-CG2 4.28Å; F136-V140 HydrophobicContact CD2-CG2 4.46Å; F136-V140 HydrophobicContact CE1-CG2 3.85Å; F136-V140 HydrophobicContact CE2-CG2 4.03Å; F136-V140 HydrophobicContact CZ-CG2 3.72Å; F136-V140 WeakPolarHBondContact O-CG2 3.18Å; F136-V140 PolarHBondContact O-N 2.99Å; F136-L161 HydrophobicContact CD2-CD2 3.76Å; F136-L161 HydrophobicContact CE2-CD2 3.99Å; F136-L161 VanDerWaalsContact CE2-O 3.29Å; F136-L161 WeakPolarHBondContact CE2-O 3.33Å
137	C	94.9	Very high	93.4	Very high	48 Å²	48	78.4 Å²	78.4	32%	0.324	39%	0.39	S	S	.	.	H	α-helix	trans	-65.1	-31.2	179.2	-67.4	0	0	0	0	112.5	I133 R135 R141	I133-C137 VanDerWaalsContact O-CB 3.28Å; I133-C137 WeakPolarHBondContact O-CB 3.48Å; I133-C137 PolarHBondContact O-N 2.9Å; I133-C137 PolarHBondContact O-SG 2.96Å; R135-C137 VanDerWaalsContact C-N 3.34Å; R135-C137 PolarHBondContact O-N 3.37Å; C137-R141 WeakPolarHBondContact O-CB 3.27Å; C137-R141 WeakPolarHBondContact O-CG 3.11Å; C137-R141 PolarHBondContact O-N 2.93Å; C137-R141 VanDerWaalsContact O-N 3.15Å; C137-R141 PolarHBondContact O-NE 3.31Å
138	G	93.4	Very high	92.6	Very high	28 Å²	28	76.5 Å²	76.5	29%	0.289	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-48	172.9	0	0	0	0	0	111.7	E134 R135 F136 R141 R142	E134-G138 PolarHBondContact O-N 3.44Å; R135-G138 WeakPolarHBondContact O-CA 3.18Å; R135-G138 PolarHBondContact O-N 3.01Å; R135-G138 VanDerWaalsContact O-N 3.08Å; F136-G138 VanDerWaalsContact C-N 3.26Å; F136-G138 PolarHBondContact O-N 3.04Å; G138-R141 PolarHBondContact O-N 3.38Å; G138-R142 WeakPolarHBondContact O-CB 3.2Å; G138-R142 PolarHBondContact O-N 3.2Å
139	E	91.5	Very high	91.6	Very high	14 Å²	14	84.6 Å²	84.6	7%	0.065	41%	0.412	C	S	.	.	H	α-helix	trans	-66.3	-43.5	179.2	-65.8	-47	145	0	0	112.5	V65 M69 R135 F136 R141 R142 L143 Y157 L161	V65-E139 HydrophobicContact CG1-CG 4.15Å; V65-E139 WeakPolarHBondContact CG1-OE1 3.24Å; V65-E139 WeakPolarHBondContact CG1-OE2 3.48Å; M69-E139 HydrophobicContact SD-CG 4.08Å; R135-E139 IonicContact CZ-OE1 3.45Å; R135-E139 IonicContact NE-OE1 2.84Å; R135-E139 PolarHBondContact NE-OE1 2.89Å; R135-E139 WeakPolarHBondContact O-CG 3.27Å; R135-E139 PolarHBondContact O-N 3.41Å; F136-E139 PolarHBondContact O-N 3.44Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.47Å; E139-R142 WeakPolarHBondContact O-CB 3.26Å; E139-R142 PolarHBondContact O-N 2.82Å; E139-R142 VanDerWaalsContact O-N 3.15Å; E139-R142 IonicContact OE2-CZ 2.85Å; E139-R142 IonicContact OE2-NE 3.84Å; E139-R142 PolarHBondContact OE2-NE 3.2Å; E139-R142 IonicContact OE2-NH2 3.29Å; E139-R142 PolarHBondContact OE2-NH2 3.22Å; E139-L143 WeakPolarHBondContact O-CB 3.48Å; E139-L143 WeakPolarHBondContact O-CG 3.49Å; E139-L143 PolarHBondContact O-N 3.16Å; E139-Y157 PolarHBondContact OE2-OH 2.67Å; E139-L161 HydrophobicContact CB-CD2 3.77Å; E139-L161 HydrophobicContact CG-CD2 4.5Å
140	V	91.7	Very high	90.8	Very high	56 Å²	56	90 Å²	90	34%	0.339	43%	0.434	S	S	.	.	H	α-helix	trans	-58.3	-45.9	174.6	173.2	0	0	0	0	110.7	F136 R142 L143 C144	F136-V140 HydrophobicContact CD1-CG2 4.28Å; F136-V140 HydrophobicContact CD2-CG2 4.46Å; F136-V140 HydrophobicContact CE1-CG2 3.85Å; F136-V140 HydrophobicContact CE2-CG2 4.03Å; F136-V140 HydrophobicContact CZ-CG2 3.72Å; F136-V140 WeakPolarHBondContact O-CG2 3.18Å; F136-V140 PolarHBondContact O-N 2.99Å; V140-R142 VanDerWaalsContact C-N 3.34Å; V140-R142 PolarHBondContact O-N 3.46Å; V140-L143 PolarHBondContact O-N 3.41Å; V140-C144 WeakPolarHBondContact O-CB 3.29Å; V140-C144 PolarHBondContact O-N 3.07Å; V140-C144 PolarHBondContact O-SG 2.8Å
141	R	92.3	Very high	90.2	Very high	176 Å²	176	85.6 Å²	85.6	66%	0.664	42%	0.42	S	S	*	.	H	α-helix	trans	-60.9	-42.4	176.1	-81.9	-180	-80.1	163.7	-9	112.2	C137 G138 E139 H145	C137-R141 WeakPolarHBondContact O-CB 3.27Å; C137-R141 WeakPolarHBondContact O-CG 3.11Å; C137-R141 PolarHBondContact O-N 2.93Å; C137-R141 VanDerWaalsContact O-N 3.15Å; C137-R141 PolarHBondContact O-NE 3.31Å; G138-R141 PolarHBondContact O-N 3.38Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.47Å; R141-H145 PolarHBondContact O-N 3.02Å
142	R	88.1	Confident	89.6	Confident	45 Å²	45	87.9 Å²	87.9	17%	0.17	43%	0.426	C	S	.	.	H	α-helix	trans	-63.6	-45.6	179.1	-170.3	-176.5	70.5	79.9	10.6	111.5	E61 G138 E139 V140 H145 Y157	E61-R142 IonicContact OE1-CZ 2.81Å; E61-R142 IonicContact OE1-NH1 3.94Å; E61-R142 PolarHBondContact OE1-NH1 3Å; E61-R142 VanDerWaalsContact OE1-NH1 3.11Å; G138-R142 WeakPolarHBondContact O-CB 3.2Å; G138-R142 PolarHBondContact O-N 3.2Å; E139-R142 WeakPolarHBondContact O-CB 3.26Å; E139-R142 PolarHBondContact O-N 2.82Å; E139-R142 VanDerWaalsContact O-N 3.15Å; E139-R142 IonicContact OE2-CZ 2.85Å; E139-R142 IonicContact OE2-NE 3.84Å; E139-R142 PolarHBondContact OE2-NE 3.2Å; E139-R142 IonicContact OE2-NH2 3.29Å; E139-R142 PolarHBondContact OE2-NH2 3.22Å; V140-R142 VanDerWaalsContact C-N 3.34Å; V140-R142 PolarHBondContact O-N 3.46Å; R142-H145 WeakPolarHBondContact O-CB 3.46Å; R142-H145 PolarHBondContact O-N 3.4Å; R142-Y157 VanDerWaalsContact NH2-CE1 3.27Å; R142-Y157 VanDerWaalsContact NH2-CZ 3.35Å; R142-Y157 PolarHBondContact NH2-OH 3.19Å
143	L	87.8	Confident	89.1	Confident	40 Å²	40	88.6 Å²	88.6	21%	0.209	43%	0.428	C	S	.	.	H	α-helix	trans	-70.3	-34.6	-179.6	-73.3	178.5	0	0	0	113.1	E139 V140 H145 V153 Y157 L158 L161	E139-L143 WeakPolarHBondContact O-CB 3.48Å; E139-L143 WeakPolarHBondContact O-CG 3.49Å; E139-L143 PolarHBondContact O-N 3.16Å; V140-L143 PolarHBondContact O-N 3.41Å; L143-H145 VanDerWaalsContact C-N 3.27Å; L143-H145 PolarHBondContact O-N 3.44Å; L143-V153 HydrophobicContact CD2-CG1 4.03Å; L143-V153 HydrophobicContact CD2-CG2 3.79Å; L143-Y157 HydrophobicContact CD1-CE1 4.1Å; L143-Y157 HydrophobicContact CD2-CE1 4.06Å; L143-Y157 HydrophobicContact CG-CE1 4.44Å; L143-L158 HydrophobicContact CD1-CD2 4.27Å; L143-L161 HydrophobicContact CD1-CD1 3.39Å
144	C	89.4	Confident	88.6	Confident	83 Å²	83	85.6 Å²	85.6	56%	0.561	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.3	178.7	-66.3	0	0	0	0	114.2	V140 A146	V140-C144 WeakPolarHBondContact O-CB 3.29Å; V140-C144 PolarHBondContact O-N 3.07Å; V140-C144 PolarHBondContact O-SG 2.8Å; C144-A146 PolarHBondContact O-N 2.99Å
145	H	91.3	Very high	88.1	Confident	92 Å²	92	87.3 Å²	87.3	43%	0.426	42%	0.424	S	S	.	.			trans	-60.2	133	-178.1	-164	-93.8	0	0	0	111.5	R141 R142 L143 E147 R148 R149	R141-H145 PolarHBondContact O-N 3.02Å; R142-H145 WeakPolarHBondContact O-CB 3.46Å; R142-H145 PolarHBondContact O-N 3.4Å; L143-H145 VanDerWaalsContact C-N 3.27Å; L143-H145 PolarHBondContact O-N 3.44Å; H145-E147 IonicContact CE1-OE2 3.65Å; H145-E147 PolarHBondContact O-N 3.09Å; H145-E147 VanDerWaalsContact O-N 3.15Å; H145-R148 HydrophobicContact CB-CB 4.42Å; H145-R148 HydrophobicContact CB-CG 4.27Å; H145-R148 PolarHBondContact O-N 2.94Å; H145-R149 PolarHBondContact O-N 3.02Å
146	A	89.3	Confident	87.6	Confident	75 Å²	75	86.8 Å²	86.8	62%	0.62	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-57	-36.9	-171.3	0	0	0	0	0	113.2	C144 R148	C144-A146 PolarHBondContact O-N 2.99Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.32Å
147	E	85.1	Confident	87.3	Confident	169 Å²	169	82.2 Å²	82.2	79%	0.79	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-73	-22.1	178.7	-59.8	-177.3	159.9	0	0	113.5	H145	H145-E147 IonicContact CE1-OE2 3.65Å; H145-E147 PolarHBondContact O-N 3.09Å; H145-E147 VanDerWaalsContact O-N 3.15Å
148	R	80.3	Confident	86.9	Confident	64 Å²	64	84 Å²	84	24%	0.242	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-99.6	-1	-177.5	-55.5	-164.8	86.1	166.1	6.1	113.5	E61 H145 A146 K150 D151	E61-R148 IonicContact OE1-CZ 3.28Å; E61-R148 IonicContact OE1-NH1 2.84Å; E61-R148 PolarHBondContact OE1-NH1 3.49Å; E61-R148 IonicContact OE1-NH2 3.29Å; E61-R148 PolarHBondContact OE1-NH2 3.18Å; E61-R148 VanDerWaalsContact OE1-NH2 3.1Å; E61-R148 IonicContact OE2-CZ 2.65Å; E61-R148 IonicContact OE2-NH1 3.9Å; E61-R148 IonicContact OE2-NH2 3.47Å; E61-R148 PolarHBondContact OE2-NH2 3.09Å; H145-R148 HydrophobicContact CB-CB 4.42Å; H145-R148 HydrophobicContact CB-CG 4.27Å; H145-R148 PolarHBondContact O-N 2.94Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.32Å; R148-K150 PolarHBondContact O-N 3.35Å; R148-K150 VanDerWaalsContact O-N 3.09Å; R148-D151 IonicContact NE-OD2 3.11Å; R148-D151 PolarHBondContact NE-OD2 3.4Å; R148-D151 VanDerWaalsContact O-CB 3.31Å; R148-D151 WeakPolarHBondContact O-CB 3.47Å; R148-D151 PolarHBondContact O-N 2.98Å
149	R	77.6	Confident	86.6	Confident	195 Å²	195	88.6 Å²	88.6	74%	0.736	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24	-178	-75.8	-175.2	179.4	-175.7	-0.5	115.2	H145	H145-R149 PolarHBondContact O-N 3.02Å
150	K	81.9	Confident	86.3	Confident	207 Å²	207	88.9 Å²	88.9	90%	0.9	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	0.1	177.8	-63.2	-175.8	-179.1	179.8	0	112.6	R148	R148-K150 PolarHBondContact O-N 3.35Å; R148-K150 VanDerWaalsContact O-N 3.09Å
151	D	84.7	Confident	85.9	Confident	41 Å²	41	89.6 Å²	89.6	22%	0.219	44%	0.438	C	S	.	.	S	Bend	trans	-68.1	139.7	175.9	-77.4	-28.3	0	0	0	109.3	R58 R148 V153	R58-D151 IonicContact CZ-OD1 3.1Å; R58-D151 IonicContact NH1-OD1 3.93Å; R58-D151 PolarHBondContact NH1-OD1 3.3Å; R148-D151 IonicContact NE-OD2 3.11Å; R148-D151 PolarHBondContact NE-OD2 3.4Å; R148-D151 VanDerWaalsContact O-CB 3.31Å; R148-D151 WeakPolarHBondContact O-CB 3.47Å; R148-D151 PolarHBondContact O-N 2.98Å; D151-V153 PolarHBondContact O-N 3.04Å
152	F	84.5	Confident	85.6	Confident	128 Å²	128	85.3 Å²	85.3	56%	0.561	43%	0.427	S	S	*	.			trans	-63.1	133.9	167.8	171.5	-94.4	0	0	0	109.2	Y59 Q62	Y59-F152 HydrophobicContact CD1-CD1 4.48Å; Y59-F152 AromaticContact CE1-CD1 3.8Å; Y59-F152 HydrophobicContact CE1-CD1 3.8Å; Y59-F152 HydrophobicContact CE1-CE1 4.35Å; Q62-F152 PolarHBondContact NE2-O 3.31Å
153	V	86	Confident	85.5	Confident	39 Å²	39	87.4 Å²	87.4	24%	0.236	44%	0.441	C	S	.	.			trans	-126.6	126	174	-171	0	0	0	0	107	L143 D151 Y157 L158	L143-V153 HydrophobicContact CD2-CG1 4.03Å; L143-V153 HydrophobicContact CD2-CG2 3.79Å; D151-V153 PolarHBondContact O-N 3.04Å; V153-Y157 HydrophobicContact CG1-CD1 3.44Å; V153-Y157 VanDerWaalsContact CG1-CD1 3.44Å; V153-Y157 HydrophobicContact CG1-CE1 3.82Å; V153-L158 HydrophobicContact CB-CD2 4.49Å; V153-L158 HydrophobicContact CB-CG 4.48Å; V153-L158 HydrophobicContact CG1-CD1 4.39Å; V153-L158 HydrophobicContact CG1-CD2 3.73Å; V153-L158 HydrophobicContact CG1-CG 3.82Å
154	S	85.6	Confident	85.4	Confident	28 Å²	28	90 Å²	90	20%	0.196	45%	0.454	C	S	.	.			trans	-65.3	142.3	179.7	71.9	0	0	0	0	111.5	A156 Y157 L158	S154-A156 VanDerWaalsContact C-N 3.34Å; S154-A156 PolarHBondContact O-N 3.46Å; S154-Y157 PolarHBondContact O-N 3.5Å; S154-Y157 WeakPolarHBondContact OG-CB 3.48Å; S154-Y157 PolarHBondContact OG-N 3.02Å; S154-L158 PolarHBondContact O-N 2.99Å
155	E	87.1	Confident	85.1	Confident	150 Å²	150	90.4 Å²	90.4	70%	0.701	45%	0.447	S	S	*	.	H	α-helix	trans	-60	-43.4	179.2	-178.8	178	-171	0	0	112	Y157 L158 I159	E155-Y157 VanDerWaalsContact C-N 3.27Å; E155-Y157 PolarHBondContact O-N 3.4Å; E155-L158 WeakPolarHBondContact O-CA 3.38Å; E155-L158 WeakPolarHBondContact O-CB 3.37Å; E155-L158 PolarHBondContact O-N 2.94Å; E155-I159 HydrophobicContact CG-CD1 3.9Å; E155-I159 HydrophobicContact CG-CG1 4.42Å; E155-I159 WeakPolarHBondContact O-CG1 3.5Å; E155-I159 PolarHBondContact O-N 3.31Å
156	A	84.1	Confident	84.7	Confident	48 Å²	48	90.3 Å²	90.3	40%	0.397	45%	0.449	S	S	.	.	H	α-helix	trans	-57.2	-42.8	177.9	0	0	0	0	0	111.8	S154 L158 I159 T160	S154-A156 VanDerWaalsContact C-N 3.34Å; S154-A156 PolarHBondContact O-N 3.46Å; A156-L158 VanDerWaalsContact C-N 3.32Å; A156-L158 PolarHBondContact O-N 3.11Å; A156-I159 PolarHBondContact O-N 3.23Å; A156-T160 PolarHBondContact O-N 3.38Å; A156-T160 PolarHBondContact O-OG1 3.26Å; A156-T160 VanDerWaalsContact O-OG1 3.05Å
157	Y	86.4	Confident	84.4	Confident	0 Å²	0	91.3 Å²	91.3	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-65	-34.4	175.9	172.9	-132.5	0	0	0	112.9	V65 H66 M69 E139 R142 L143 V153 S154 E155 L161	V65-Y157 HydrophobicContact CG1-CD2 4.41Å; V65-Y157 HydrophobicContact CG1-CE2 3.53Å; H66-Y157 HydrophobicContact CB-CD2 4.15Å; H66-Y157 HydrophobicContact CB-CG 4.49Å; M69-Y157 HydrophobicContact SD-CD2 4.2Å; M69-Y157 HydrophobicContact SD-CE2 3.59Å; M69-Y157 VanDerWaalsContact SD-CE2 3.59Å; E139-Y157 PolarHBondContact OE2-OH 2.67Å; R142-Y157 VanDerWaalsContact NH2-CE1 3.27Å; R142-Y157 VanDerWaalsContact NH2-CZ 3.35Å; R142-Y157 PolarHBondContact NH2-OH 3.19Å; L143-Y157 HydrophobicContact CD1-CE1 4.1Å; L143-Y157 HydrophobicContact CD2-CE1 4.06Å; L143-Y157 HydrophobicContact CG-CE1 4.44Å; V153-Y157 HydrophobicContact CG1-CD1 3.44Å; V153-Y157 VanDerWaalsContact CG1-CD1 3.44Å; V153-Y157 HydrophobicContact CG1-CE1 3.82Å; S154-Y157 PolarHBondContact O-N 3.5Å; S154-Y157 WeakPolarHBondContact OG-CB 3.48Å; S154-Y157 PolarHBondContact OG-N 3.02Å; E155-Y157 VanDerWaalsContact C-N 3.27Å; E155-Y157 PolarHBondContact O-N 3.4Å; Y157-L161 HydrophobicContact CE1-CD1 4.47Å; Y157-L161 HydrophobicContact CE2-CD1 3.98Å; Y157-L161 HydrophobicContact CE2-CG 4.37Å; Y157-L161 PolarHBondContact O-N 3.46Å
158	L	87.7	Confident	84.4	Confident	87 Å²	87	85.8 Å²	85.8	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-70.6	-31.6	173.9	-67.9	174.9	0	0	0	112.9	L143 V153 S154 E155 A156	L143-L158 HydrophobicContact CD1-CD2 4.27Å; V153-L158 HydrophobicContact CB-CD2 4.49Å; V153-L158 HydrophobicContact CB-CG 4.48Å; V153-L158 HydrophobicContact CG1-CD1 4.39Å; V153-L158 HydrophobicContact CG1-CD2 3.73Å; V153-L158 HydrophobicContact CG1-CG 3.82Å; S154-L158 PolarHBondContact O-N 2.99Å; E155-L158 WeakPolarHBondContact O-CA 3.38Å; E155-L158 WeakPolarHBondContact O-CB 3.37Å; E155-L158 PolarHBondContact O-N 2.94Å; A156-L158 VanDerWaalsContact C-N 3.32Å; A156-L158 PolarHBondContact O-N 3.11Å
159	I	86.8	Confident	84.7	Confident	123 Å²	123	87.5 Å²	87.5	63%	0.631	43%	0.425	S	S	*	.	H	α-helix	trans	-72.2	-34.1	176.8	-69.2	168.8	0	0	0	111.3	E155 A156 L161	E155-I159 HydrophobicContact CG-CD1 3.9Å; E155-I159 HydrophobicContact CG-CG1 4.42Å; E155-I159 WeakPolarHBondContact O-CG1 3.5Å; E155-I159 PolarHBondContact O-N 3.31Å; A156-I159 PolarHBondContact O-N 3.23Å; I159-L161 VanDerWaalsContact C-N 3.26Å; I159-L161 PolarHBondContact O-N 3.25Å
160	T	85.9	Confident	85.3	Confident	20 Å²	20	78.5 Å²	78.5	12%	0.123	40%	0.399	C	S	.	.	H	α-helix	trans	-70	-21.7	178	-62	0	0	0	0	113	H66 M69 N70 L73 A156	H66-T160 PolarHBondContact NE2-OG1 3.12Å; M69-T160 HydrophobicContact CB-CG2 3.47Å; M69-T160 VanDerWaalsContact CB-CG2 3.47Å; M69-T160 HydrophobicContact CE-CG2 4.19Å; M69-T160 HydrophobicContact SD-CG2 4.4Å; N70-T160 PolarHBondContact OD1-OG1 3.27Å; L73-T160 HydrophobicContact CD1-CG2 3.73Å; A156-T160 PolarHBondContact O-N 3.38Å; A156-T160 PolarHBondContact O-OG1 3.26Å; A156-T160 VanDerWaalsContact O-OG1 3.05Å
161	L	82.9	Confident	85.6	Confident	71 Å²	71	66.8 Å²	66.8	37%	0.372	35%	0.354	S	S	.	.			trans	-80.4	0	175.1	-88.2	161.3	0	0	0	112.1	M69 F136 E139 L143 Y157 I159	M69-L161 HydrophobicContact CE-CB 4.44Å; M69-L161 HydrophobicContact CE-CD2 3.57Å; M69-L161 HydrophobicContact CE-CG 3.71Å; M69-L161 HydrophobicContact SD-CD2 4.27Å; M69-L161 HydrophobicContact SD-CG 4.19Å; F136-L161 HydrophobicContact CD2-CD2 3.76Å; F136-L161 HydrophobicContact CE2-CD2 3.99Å; F136-L161 VanDerWaalsContact CE2-O 3.29Å; F136-L161 WeakPolarHBondContact CE2-O 3.33Å; E139-L161 HydrophobicContact CB-CD2 3.77Å; E139-L161 HydrophobicContact CG-CD2 4.5Å; L143-L161 HydrophobicContact CD1-CD1 3.39Å; Y157-L161 HydrophobicContact CE1-CD1 4.47Å; Y157-L161 HydrophobicContact CE2-CD1 3.98Å; Y157-L161 HydrophobicContact CE2-CG 4.37Å; Y157-L161 PolarHBondContact O-N 3.46Å; I159-L161 VanDerWaalsContact C-N 3.26Å; I159-L161 PolarHBondContact O-N 3.25Å

Retrieved 161 of 161 residues in 91.6 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).