A0A3Q0KRV2_SCHMA Loading...

DUF4515 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 273 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	30.5	Very low	36.7	Very low	213 Å²	213	149.6 Å²	149.6	100%	1.049	83%	0.834	S	S	*	*				0	98.3	0	-68.1	-170.3	176.5	0	0	108.2	D3	M1-D3 WeakPolarHBondContact CA-OD2 3.4Å; M1-D3 VanDerWaalsContact N-CG 3.26Å; M1-D3 PolarHBondContact N-OD1 3.42Å; M1-D3 PolarHBondContact N-OD2 2.91Å
2	T	32.4	Very low	37.7	Very low	138 Å²	138	150.5 Å²	150.5	85%	0.847	84%	0.836	S	S	*	*			cis	-143.5	146.8	0.2	53.1	0	0	0	0	110.6
3	D	35.8	Very low	38.3	Very low	124 Å²	124	149.5 Å²	149.5	66%	0.663	83%	0.826	S	S	*	*				-162.5	-152.3	-61.3	-81.8	-27.2	0	0	0	104.1	M1	M1-D3 WeakPolarHBondContact CA-OD2 3.4Å; M1-D3 VanDerWaalsContact N-CG 3.26Å; M1-D3 PolarHBondContact N-OD1 3.42Å; M1-D3 PolarHBondContact N-OD2 2.91Å
4	E	35.2	Very low	38.9	Very low	179 Å²	179	152.2 Å²	152.2	84%	0.836	83%	0.826	S	S	*	*			trans	64.3	106.2	173.6	-61.4	-173.7	154.6	0	0	118.2
5	L	35.7	Very low	39.8	Very low	158 Å²	158	150.1 Å²	150.1	83%	0.827	82%	0.819	S	S	*	*				59	89.6	95.8	-71.1	168.9	0	0	0	115.9
6	T	34.5	Very low	40.8	Very low	151 Å²	151	148.6 Å²	148.6	93%	0.926	81%	0.81	S	S	*	*				-170.7	151.2	119.9	20.1	0	0	0	0	111.6
7	S	33.9	Very low	41.8	Very low	116 Å²	116	149.8 Å²	149.8	81%	0.811	81%	0.806	S	S	*	*			trans	-84.9	124	-178.7	161.6	0	0	0	0	111.7
8	S	36.4	Very low	42.5	Very low	108 Å²	108	143.9 Å²	143.9	76%	0.755	79%	0.786	S	S	*	*			trans	-147	117.7	159.3	-166.8	0	0	0	0	110.3
9	P	48	Very low	43.6	Very low	114 Å²	114	144 Å²	144	74%	0.74	78%	0.781	S	S	*	*			trans	-105.6	88.4	-173.3	37	-30.1	0	0	0	113.2
10	E	41.6	Very low	44.7	Very low	186 Å²	186	141.9 Å²	141.9	87%	0.869	77%	0.768	S	S	*	*			trans	-138.1	17.6	173	-75.5	-157.5	155.7	0	0	115.6
11	D	40.2	Very low	45.7	Very low	159 Å²	159	141 Å²	141	85%	0.85	76%	0.762	S	S	*	*	S	Bend	trans	-110.8	0.2	-173.4	-103.8	-26.8	0	0	0	116.9
12	D	48.6	Very low	47.6	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	74%	0.742	S	S	*	*	S	Bend	trans	-114.6	26.8	-163.1	-133.5	2.9	0	0	0	115.8
13	I	45.5	Very low	49.7	Very low	137 Å²	137	138.2 Å²	138.2	70%	0.703	73%	0.73	S	S	*	*	S	Bend	trans	-113.8	-22.1	-177.2	-62.9	177.9	0	0	0	113.7
14	F	46.1	Very low	51.5	Low	188 Å²	188	138.5 Å²	138.5	83%	0.825	73%	0.727	S	S	*	*	S	Bend	trans	-96.5	-24.1	-168.1	-84.1	-83.7	0	0	0	116
15	V	53.2	Low	53.4	Low	121 Å²	121	138.5 Å²	138.5	73%	0.733	72%	0.721	S	S	*	*	S	Bend	trans	-77.6	-39.9	-175.3	-179.7	0	0	0	0	112.1	K17	V15-K17 VanDerWaalsContact C-N 3.26Å; V15-K17 PolarHBondContact O-N 3.45Å
16	D	54.6	Low	55.3	Low	126 Å²	126	134.8 Å²	134.8	67%	0.674	71%	0.705	S	S	*	*	H	α-helix	trans	-57.8	-33.1	-177.2	-171.1	39.6	0	0	0	113.7	G18	D16-G18 PolarHBondContact O-N 3.35Å
17	K	58	Low	57.5	Low	168 Å²	168	131.7 Å²	131.7	73%	0.73	68%	0.683	S	S	*	*	H	α-helix	trans	-76.5	-22.2	-169.7	-129.5	173.1	-172.8	172.5	0	115.4	V15	V15-K17 VanDerWaalsContact C-N 3.26Å; V15-K17 PolarHBondContact O-N 3.45Å
18	G	55.4	Low	59.5	Low	44 Å²	44	130.8 Å²	130.8	45%	0.454	67%	0.668	S	S	.	*	H	α-helix	trans	-90.5	-21.1	-170.1	0	0	0	0	0	115.2	D16	D16-G18 PolarHBondContact O-N 3.35Å
19	E	62.2	Low	61.6	Low	146 Å²	146	128.5 Å²	128.5	68%	0.682	65%	0.652	S	S	*	*	H	α-helix	trans	-88.4	-46.1	179.6	-153.8	122.7	-125.8	0	0	110	L21 R22 E23	E19-L21 VanDerWaalsContact C-N 3.27Å; E19-L21 PolarHBondContact O-N 2.92Å; E19-R22 WeakPolarHBondContact O-CB 3.37Å; E19-R22 PolarHBondContact O-N 3.03Å; E19-E23 PolarHBondContact O-N 3.13Å
20	L	66.6	Low	63.2	Low	102 Å²	102	127.5 Å²	127.5	53%	0.534	64%	0.641	S	S	.	*	H	α-helix	trans	-49.2	-44.9	174.6	-141.4	83.7	0	0	0	112.8	R22 E23 E24	L20-R22 PolarHBondContact O-N 3.25Å; L20-E23 PolarHBondContact O-N 3.04Å; L20-E24 PolarHBondContact O-N 2.77Å
21	L	65.5	Low	65.1	Low	123 Å²	123	124 Å²	124	64%	0.644	63%	0.625	S	S	*	*	H	α-helix	trans	-66.9	-23	-176.5	-156.4	74.6	0	0	0	113.3	E19 Y25	E19-L21 VanDerWaalsContact C-N 3.27Å; E19-L21 PolarHBondContact O-N 2.92Å; L21-Y25 PolarHBondContact O-N 3.04Å
22	R	70.6	Confident	67.1	Low	167 Å²	167	121.1 Å²	121.1	63%	0.63	61%	0.608	S	S	*	*	H	α-helix	trans	-87.6	-35.3	-179.3	-138.6	-176.5	-49.6	-177.1	12.2	111.6	E19 L20 T26	E19-R22 WeakPolarHBondContact O-CB 3.37Å; E19-R22 PolarHBondContact O-N 3.03Å; L20-R22 PolarHBondContact O-N 3.25Å; R22-T26 PolarHBondContact O-N 3.12Å; R22-T26 VanDerWaalsContact O-N 3.14Å; R22-T26 PolarHBondContact O-OG1 3.24Å
23	E	75.4	Confident	68.7	Low	125 Å²	125	120.2 Å²	120.2	58%	0.584	60%	0.598	S	S	*	*	H	α-helix	trans	-65.1	-46.3	170.6	-171.2	168.3	-162.9	0	0	110.5	E19 L20 Y25 T26 N27	E19-E23 PolarHBondContact O-N 3.13Å; L20-E23 PolarHBondContact O-N 3.04Å; E23-Y25 PolarHBondContact O-N 3.41Å; E23-T26 PolarHBondContact O-N 3.05Å; E23-N27 WeakPolarHBondContact O-CB 3.41Å; E23-N27 PolarHBondContact O-N 2.95Å
24	E	73.5	Confident	70.6	Confident	131 Å²	131	116.5 Å²	116.5	61%	0.612	59%	0.588	S	S	*	*	H	α-helix	trans	-57.4	-46	173	-77.7	-150.9	156.7	0	0	112.7	L20 T26 N27 L28	L20-E24 PolarHBondContact O-N 2.77Å; E24-T26 VanDerWaalsContact C-N 3.28Å; E24-T26 PolarHBondContact O-N 3.32Å; E24-N27 PolarHBondContact O-N 2.7Å; E24-L28 VanDerWaalsContact O-CB 3.28Å; E24-L28 WeakPolarHBondContact O-CB 3.5Å; E24-L28 PolarHBondContact O-N 3.45Å
25	Y	75.8	Confident	72.4	Confident	179 Å²	179	111.6 Å²	111.6	70%	0.702	57%	0.57	S	S	*	*	H	α-helix	trans	-64.1	-34.7	-179.3	-151.3	-84.2	0	0	0	112.7	L21 E23 S29	L21-Y25 PolarHBondContact O-N 3.04Å; E23-Y25 PolarHBondContact O-N 3.41Å; Y25-S29 WeakPolarHBondContact O-CB 3.49Å; Y25-S29 PolarHBondContact O-N 3.47Å
26	T	76.6	Confident	73.9	Confident	79 Å²	79	109 Å²	109	49%	0.485	56%	0.557	S	S	.	*	H	α-helix	trans	-74.3	-41.8	178.7	-48.8	0	0	0	0	111	R22 E23 E24 S29 N30	R22-T26 PolarHBondContact O-N 3.12Å; R22-T26 VanDerWaalsContact O-N 3.14Å; R22-T26 PolarHBondContact O-OG1 3.24Å; E23-T26 PolarHBondContact O-N 3.05Å; E24-T26 VanDerWaalsContact C-N 3.28Å; E24-T26 PolarHBondContact O-N 3.32Å; T26-S29 PolarHBondContact O-N 3.06Å; T26-N30 VanDerWaalsContact O-CG 3.29Å; T26-N30 PolarHBondContact O-N 3.35Å; T26-N30 PolarHBondContact O-ND2 3.41Å
27	N	79.7	Confident	75.5	Confident	87 Å²	87	109.6 Å²	109.6	47%	0.465	55%	0.554	S	S	.	*	H	α-helix	trans	-62	-46.4	173.2	-76.3	-20.5	0	0	0	111.5	E23 E24 S29 N30 E31	E23-N27 WeakPolarHBondContact O-CB 3.41Å; E23-N27 PolarHBondContact O-N 2.95Å; E24-N27 PolarHBondContact O-N 2.7Å; N27-S29 VanDerWaalsContact C-N 3.33Å; N27-S29 PolarHBondContact O-N 3.01Å; N27-N30 PolarHBondContact O-N 3.21Å; N27-E31 PolarHBondContact O-N 2.87Å
28	L	77.1	Confident	77	Confident	96 Å²	96	107.7 Å²	107.7	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-64.4	-36.6	179.1	-162.6	74.5	0	0	0	112.1	E24 E31 I32	E24-L28 VanDerWaalsContact O-CB 3.28Å; E24-L28 WeakPolarHBondContact O-CB 3.5Å; E24-L28 PolarHBondContact O-N 3.45Å; L28-E31 PolarHBondContact O-N 2.79Å; L28-I32 HydrophobicContact CG-CD1 4.38Å; L28-I32 WeakPolarHBondContact O-CB 3.41Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.27Å; L28-I32 PolarHBondContact O-N 3.48Å
29	S	78.6	Confident	78.6	Confident	61 Å²	61	109.5 Å²	109.5	43%	0.427	55%	0.546	S	S	.	.	H	α-helix	trans	-66.9	-41	174	-167.9	0	0	0	0	112.1	Y25 T26 N27 I32 E33	Y25-S29 WeakPolarHBondContact O-CB 3.49Å; Y25-S29 PolarHBondContact O-N 3.47Å; T26-S29 PolarHBondContact O-N 3.06Å; N27-S29 VanDerWaalsContact C-N 3.33Å; N27-S29 PolarHBondContact O-N 3.01Å; S29-I32 PolarHBondContact O-N 2.78Å; S29-E33 PolarHBondContact O-N 3.22Å
30	N	82.3	Confident	80	Confident	93 Å²	93	107 Å²	107	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-67.1	-37.8	175.7	-71.5	-25.6	0	0	0	111.7	T26 N27 E33 A34	T26-N30 VanDerWaalsContact O-CG 3.29Å; T26-N30 PolarHBondContact O-N 3.35Å; T26-N30 PolarHBondContact O-ND2 3.41Å; N27-N30 PolarHBondContact O-N 3.21Å; N30-E33 PolarHBondContact O-N 2.8Å; N30-A34 VanDerWaalsContact O-CB 3.24Å; N30-A34 WeakPolarHBondContact O-CB 3.23Å; N30-A34 PolarHBondContact O-N 3.32Å
31	E	82.7	Confident	81.1	Confident	113 Å²	113	106.3 Å²	106.3	53%	0.528	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-45.7	171.6	-78.1	-174.5	161.3	0	0	111.3	N27 L28 E33 A34 I35	N27-E31 PolarHBondContact O-N 2.87Å; L28-E31 PolarHBondContact O-N 2.79Å; E31-E33 VanDerWaalsContact C-N 3.32Å; E31-E33 PolarHBondContact O-N 3.18Å; E31-A34 PolarHBondContact O-N 2.82Å; E31-I35 VanDerWaalsContact O-CB 3.27Å; E31-I35 WeakPolarHBondContact O-CB 3.49Å; E31-I35 WeakPolarHBondContact O-CD1 3.48Å; E31-I35 WeakPolarHBondContact O-CG1 3.43Å; E31-I35 PolarHBondContact O-N 2.82Å
32	I	80.7	Confident	82.3	Confident	98 Å²	98	105.2 Å²	105.2	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-60.7	-40.9	177.3	-73.2	165.7	0	0	0	111.5	L28 S29 S36	L28-I32 HydrophobicContact CG-CD1 4.38Å; L28-I32 WeakPolarHBondContact O-CB 3.41Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.27Å; L28-I32 PolarHBondContact O-N 3.48Å; S29-I32 PolarHBondContact O-N 2.78Å; I32-S36 VanDerWaalsContact O-CB 3.24Å; I32-S36 WeakPolarHBondContact O-CB 3.27Å; I32-S36 PolarHBondContact O-N 3.07Å; I32-S36 PolarHBondContact O-OG 3.45Å
33	E	83.3	Confident	83.3	Confident	140 Å²	140	102.8 Å²	102.8	65%	0.654	52%	0.523	S	S	*	.	H	α-helix	trans	-74.3	-36.7	179.6	-165.7	161.8	-155.7	0	0	112.1	S29 N30 E31 S36 K37	S29-E33 PolarHBondContact O-N 3.22Å; N30-E33 PolarHBondContact O-N 2.8Å; E31-E33 VanDerWaalsContact C-N 3.32Å; E31-E33 PolarHBondContact O-N 3.18Å; E33-S36 PolarHBondContact O-N 3.14Å; E33-K37 WeakPolarHBondContact O-CB 3.31Å; E33-K37 PolarHBondContact O-N 2.92Å
34	A	85.2	Confident	84	Confident	59 Å²	59	100.7 Å²	100.7	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-50.2	171	0	0	0	0	0	111.7	N30 E31 S36 K37 E38	N30-A34 VanDerWaalsContact O-CB 3.24Å; N30-A34 WeakPolarHBondContact O-CB 3.23Å; N30-A34 PolarHBondContact O-N 3.32Å; E31-A34 PolarHBondContact O-N 2.82Å; A34-S36 VanDerWaalsContact C-N 3.34Å; A34-S36 PolarHBondContact O-N 3.32Å; A34-K37 PolarHBondContact O-N 3Å; A34-E38 PolarHBondContact O-N 3.29Å
35	I	83.1	Confident	84.9	Confident	85 Å²	85	101.1 Å²	101.1	44%	0.436	52%	0.518	S	S	.	.	H	α-helix	trans	-61.4	-40.9	176.3	-70	165.3	0	0	0	110.8	E31 K37 E38 I39	E31-I35 VanDerWaalsContact O-CB 3.27Å; E31-I35 WeakPolarHBondContact O-CB 3.49Å; E31-I35 WeakPolarHBondContact O-CD1 3.48Å; E31-I35 WeakPolarHBondContact O-CG1 3.43Å; E31-I35 PolarHBondContact O-N 2.82Å; I35-K37 VanDerWaalsContact C-N 3.28Å; I35-K37 PolarHBondContact O-N 2.79Å; I35-E38 PolarHBondContact O-N 3.38Å; I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 HydrophobicContact CG2-CG1 4.35Å; I35-I39 WeakPolarHBondContact O-CB 3.34Å; I35-I39 VanDerWaalsContact O-CG1 3.25Å; I35-I39 WeakPolarHBondContact O-CG1 3.3Å; I35-I39 PolarHBondContact O-N 2.87Å
36	S	86	Confident	85.7	Confident	66 Å²	66	98.2 Å²	98.2	46%	0.462	51%	0.514	S	S	.	.	H	α-helix	trans	-63.6	-36.3	177.4	-63	0	0	0	0	112	I32 E33 A34 L40	I32-S36 VanDerWaalsContact O-CB 3.24Å; I32-S36 WeakPolarHBondContact O-CB 3.27Å; I32-S36 PolarHBondContact O-N 3.07Å; I32-S36 PolarHBondContact O-OG 3.45Å; E33-S36 PolarHBondContact O-N 3.14Å; A34-S36 VanDerWaalsContact C-N 3.34Å; A34-S36 PolarHBondContact O-N 3.32Å; S36-L40 PolarHBondContact O-N 2.83Å; S36-L40 VanDerWaalsContact O-N 3.12Å
37	K	88.1	Confident	86.5	Confident	140 Å²	140	99.6 Å²	99.6	61%	0.609	52%	0.518	S	S	*	.	H	α-helix	trans	-72.4	-42	174.9	-166.8	177.6	-179.8	-175.4	0	111.9	E33 A34 I35 I39 L40 D41	E33-K37 WeakPolarHBondContact O-CB 3.31Å; E33-K37 PolarHBondContact O-N 2.92Å; A34-K37 PolarHBondContact O-N 3Å; I35-K37 VanDerWaalsContact C-N 3.28Å; I35-K37 PolarHBondContact O-N 2.79Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 3.14Å; K37-L40 PolarHBondContact O-N 3.12Å; K37-L40 VanDerWaalsContact O-N 3.13Å; K37-D41 PolarHBondContact O-N 2.82Å
38	E	88.9	Confident	87.1	Confident	127 Å²	127	101.2 Å²	101.2	59%	0.593	53%	0.526	S	S	*	.	H	α-helix	trans	-58.1	-43.9	172.8	-124.6	175.8	-165.1	0	0	111.3	A34 I35 L40 D41 I42	A34-E38 PolarHBondContact O-N 3.29Å; I35-E38 PolarHBondContact O-N 3.38Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.44Å; E38-D41 PolarHBondContact O-N 3.36Å; E38-I42 WeakPolarHBondContact O-CB 3.49Å; E38-I42 WeakPolarHBondContact O-CD1 3.31Å; E38-I42 WeakPolarHBondContact O-CG1 3.18Å; E38-I42 PolarHBondContact O-N 2.95Å
39	I	88.7	Confident	87.8	Confident	83 Å²	83	100.5 Å²	100.5	43%	0.426	53%	0.525	S	S	.	.	H	α-helix	trans	-60.8	-41.5	174.6	-73.1	168	0	0	0	111.3	I35 K37 Q43	I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 HydrophobicContact CG2-CG1 4.35Å; I35-I39 WeakPolarHBondContact O-CB 3.34Å; I35-I39 VanDerWaalsContact O-CG1 3.25Å; I35-I39 WeakPolarHBondContact O-CG1 3.3Å; I35-I39 PolarHBondContact O-N 2.87Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 3.14Å; I39-Q43 WeakPolarHBondContact O-CB 3.4Å; I39-Q43 VanDerWaalsContact O-CG 3.25Å; I39-Q43 WeakPolarHBondContact O-CG 3.27Å; I39-Q43 PolarHBondContact O-N 3.47Å
40	L	91.2	Very high	88.5	Confident	93 Å²	93	102.3 Å²	102.3	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-68.5	-41.5	178.8	-173.2	68.1	0	0	0	112.1	S36 K37 E38 Q43 N44	S36-L40 PolarHBondContact O-N 2.83Å; S36-L40 VanDerWaalsContact O-N 3.12Å; K37-L40 PolarHBondContact O-N 3.12Å; K37-L40 VanDerWaalsContact O-N 3.13Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.44Å; L40-Q43 PolarHBondContact O-N 3.45Å; L40-N44 PolarHBondContact O-N 2.88Å; L40-N44 PolarHBondContact O-ND2 2.84Å
41	D	90.7	Very high	89.1	Confident	88 Å²	88	103.4 Å²	103.4	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-66.2	-43.1	176.5	-71.8	-22.5	0	0	0	110.5	K37 E38 Q43 N44 E45	K37-D41 PolarHBondContact O-N 2.82Å; E38-D41 PolarHBondContact O-N 3.36Å; D41-Q43 PolarHBondContact O-N 3.02Å; D41-N44 PolarHBondContact O-N 3.25Å; D41-E45 PolarHBondContact O-N 3.33Å
42	I	89.4	Confident	89.6	Confident	100 Å²	100	101.1 Å²	101.1	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-59.9	-42	172.2	-70.6	164.6	0	0	0	111.5	E38 E45 L46	E38-I42 WeakPolarHBondContact O-CB 3.49Å; E38-I42 WeakPolarHBondContact O-CD1 3.31Å; E38-I42 WeakPolarHBondContact O-CG1 3.18Å; E38-I42 PolarHBondContact O-N 2.95Å; I42-E45 PolarHBondContact O-N 2.92Å; I42-L46 VanDerWaalsContact O-CB 3.31Å; I42-L46 WeakPolarHBondContact O-CB 3.37Å; I42-L46 PolarHBondContact O-N 2.83Å
43	Q	91.4	Very high	90.3	Very high	116 Å²	116	100.8 Å²	100.8	54%	0.542	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-38.9	176.7	-79.2	176.2	4.6	0	0	112.3	I39 L40 D41 L46 L47	I39-Q43 WeakPolarHBondContact O-CB 3.4Å; I39-Q43 VanDerWaalsContact O-CG 3.25Å; I39-Q43 WeakPolarHBondContact O-CG 3.27Å; I39-Q43 PolarHBondContact O-N 3.47Å; L40-Q43 PolarHBondContact O-N 3.45Å; D41-Q43 PolarHBondContact O-N 3.02Å; Q43-L46 PolarHBondContact O-N 3.34Å; Q43-L47 WeakPolarHBondContact O-CB 3.48Å; Q43-L47 PolarHBondContact O-N 2.82Å
44	N	91.6	Very high	90.8	Very high	81 Å²	81	98.7 Å²	98.7	43%	0.433	51%	0.514	S	S	.	.	H	α-helix	trans	-68.2	-42.7	174.9	-78	-42.1	0	0	0	112.2	L40 D41 L46 L47 L48	L40-N44 PolarHBondContact O-N 2.88Å; L40-N44 PolarHBondContact O-ND2 2.84Å; D41-N44 PolarHBondContact O-N 3.25Å; N44-L46 VanDerWaalsContact C-N 3.34Å; N44-L47 PolarHBondContact O-N 3.3Å; N44-L48 WeakPolarHBondContact O-CG 3.18Å; N44-L48 PolarHBondContact O-N 2.92Å
45	E	92.3	Very high	91.2	Very high	139 Å²	139	100 Å²	100	65%	0.65	51%	0.51	S	S	*	.	H	α-helix	trans	-63.6	-38.9	174	-73.6	-155.2	147.2	0	0	112.1	D41 I42 L48 T49	D41-E45 PolarHBondContact O-N 3.33Å; I42-E45 PolarHBondContact O-N 2.92Å; E45-L48 PolarHBondContact O-N 3.28Å; E45-T49 VanDerWaalsContact O-CB 3.27Å; E45-T49 WeakPolarHBondContact O-CB 3.3Å; E45-T49 PolarHBondContact O-N 3.03Å; E45-T49 PolarHBondContact O-OG1 3.43Å
46	L	91.6	Very high	91.8	Very high	118 Å²	118	102.7 Å²	102.7	62%	0.618	52%	0.521	S	S	*	.	H	α-helix	trans	-60.7	-45.7	175.1	-161	92.6	0	0	0	110.9	I42 Q43 N44 T49 E50	I42-L46 VanDerWaalsContact O-CB 3.31Å; I42-L46 WeakPolarHBondContact O-CB 3.37Å; I42-L46 PolarHBondContact O-N 2.83Å; Q43-L46 PolarHBondContact O-N 3.34Å; N44-L46 VanDerWaalsContact C-N 3.34Å; L46-T49 PolarHBondContact O-N 2.64Å; L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 PolarHBondContact O-N 3.06Å
47	L	93.3	Very high	92.2	Very high	109 Å²	109	105 Å²	105	57%	0.571	52%	0.524	S	S	*	.	H	α-helix	trans	-65	-42.3	178.7	-174.8	68.6	0	0	0	112.4	Q43 N44 T49 E50 H51	Q43-L47 WeakPolarHBondContact O-CB 3.48Å; Q43-L47 PolarHBondContact O-N 2.82Å; N44-L47 PolarHBondContact O-N 3.3Å; L47-T49 VanDerWaalsContact C-N 3.32Å; L47-E50 PolarHBondContact O-N 3.16Å; L47-H51 WeakPolarHBondContact O-CB 3.29Å; L47-H51 PolarHBondContact O-N 2.91Å
48	L	93.2	Very high	92.5	Very high	120 Å²	120	103 Å²	103	63%	0.628	52%	0.519	S	S	*	.	H	α-helix	trans	-64.5	-38.2	174.6	-73.5	170.9	0	0	0	111.8	N44 E45 S52	N44-L48 WeakPolarHBondContact O-CG 3.18Å; N44-L48 PolarHBondContact O-N 2.92Å; E45-L48 PolarHBondContact O-N 3.28Å; L48-S52 WeakPolarHBondContact O-CB 3.41Å; L48-S52 PolarHBondContact O-N 3.13Å; L48-S52 PolarHBondContact O-OG 3.32Å
49	T	92	Very high	92.8	Very high	81 Å²	81	102.5 Å²	102.5	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-45	175.8	-58	0	0	0	0	110.8	E45 L46 L47 S52 I53	E45-T49 VanDerWaalsContact O-CB 3.27Å; E45-T49 WeakPolarHBondContact O-CB 3.3Å; E45-T49 PolarHBondContact O-N 3.03Å; E45-T49 PolarHBondContact O-OG1 3.43Å; L46-T49 PolarHBondContact O-N 2.64Å; L47-T49 VanDerWaalsContact C-N 3.32Å; T49-S52 PolarHBondContact O-N 3.41Å; T49-I53 HydrophobicContact CG2-CD1 3.97Å; T49-I53 VanDerWaalsContact O-CG1 3.28Å; T49-I53 WeakPolarHBondContact O-CG1 3.4Å; T49-I53 PolarHBondContact O-N 2.82Å
50	E	93	Very high	93.1	Very high	100 Å²	100	102.9 Å²	102.9	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-45.4	177.3	-172.5	174.3	-169.6	0	0	111.8	L46 L47 S52 I53 Q54	L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 PolarHBondContact O-N 3.06Å; L47-E50 PolarHBondContact O-N 3.16Å; E50-S52 VanDerWaalsContact C-N 3.32Å; E50-S52 PolarHBondContact O-N 2.9Å; E50-I53 PolarHBondContact O-N 3.1Å; E50-Q54 WeakPolarHBondContact O-CG 3.29Å; E50-Q54 PolarHBondContact O-N 2.86Å
51	H	94	Very high	93.3	Very high	116 Å²	116	103.4 Å²	103.4	54%	0.537	52%	0.521	S	S	.	.	H	α-helix	trans	-60.5	-41.6	173.5	-176.5	-75.5	0	0	0	111.9	L47 Q54 E55	L47-H51 WeakPolarHBondContact O-CB 3.29Å; L47-H51 PolarHBondContact O-N 2.91Å; H51-Q54 PolarHBondContact O-N 3.44Å; H51-E55 IonicContact CE1-OE2 3.97Å; H51-E55 WeakPolarHBondContact O-CB 3.5Å; H51-E55 PolarHBondContact O-N 2.94Å
52	S	94	Very high	93.5	Very high	65 Å²	65	105.7 Å²	105.7	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-38.5	177.9	-59.5	0	0	0	0	112.1	L48 T49 E50 Q56	L48-S52 WeakPolarHBondContact O-CB 3.41Å; L48-S52 PolarHBondContact O-N 3.13Å; L48-S52 PolarHBondContact O-OG 3.32Å; T49-S52 PolarHBondContact O-N 3.41Å; E50-S52 VanDerWaalsContact C-N 3.32Å; E50-S52 PolarHBondContact O-N 2.9Å; S52-Q56 VanDerWaalsContact O-CB 3.22Å; S52-Q56 WeakPolarHBondContact O-CB 3.49Å; S52-Q56 PolarHBondContact O-N 2.94Å
53	I	94.7	Very high	93.8	Very high	90 Å²	90	107.4 Å²	107.4	46%	0.462	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-50.6	173	-70.7	164.3	0	0	0	110	T49 E50 E55 Q56 E57	T49-I53 HydrophobicContact CG2-CD1 3.97Å; T49-I53 VanDerWaalsContact O-CG1 3.28Å; T49-I53 WeakPolarHBondContact O-CG1 3.4Å; T49-I53 PolarHBondContact O-N 2.82Å; E50-I53 PolarHBondContact O-N 3.1Å; I53-E55 PolarHBondContact O-N 3.38Å; I53-Q56 PolarHBondContact O-N 3.36Å; I53-E57 HydrophobicContact CG2-CG 4.44Å; I53-E57 WeakPolarHBondContact O-CG 3.2Å; I53-E57 PolarHBondContact O-N 3.01Å
54	Q	94.3	Very high	94	Very high	96 Å²	96	105 Å²	105	45%	0.449	52%	0.521	S	S	.	.	H	α-helix	trans	-60.6	-44.7	179.5	-70.2	177.2	13.2	0	0	112.5	E50 H51 Q56 E57 I58	E50-Q54 WeakPolarHBondContact O-CG 3.29Å; E50-Q54 PolarHBondContact O-N 2.86Å; H51-Q54 PolarHBondContact O-N 3.44Å; Q54-Q56 VanDerWaalsContact C-N 3.29Å; Q54-Q56 PolarHBondContact O-N 3.12Å; Q54-E57 PolarHBondContact O-N 2.88Å; Q54-I58 WeakPolarHBondContact O-CG1 3.3Å; Q54-I58 PolarHBondContact O-N 3.39Å
55	E	94.4	Very high	94.2	Very high	86 Å²	86	103.6 Å²	103.6	40%	0.402	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-37.7	176.9	-166.5	-172.3	162.6	0	0	111.5	H51 I53 K59	H51-E55 IonicContact CE1-OE2 3.97Å; H51-E55 WeakPolarHBondContact O-CB 3.5Å; H51-E55 PolarHBondContact O-N 2.94Å; I53-E55 PolarHBondContact O-N 3.38Å; E55-K59 VanDerWaalsContact CD-NZ 3.34Å; E55-K59 WeakPolarHBondContact O-CG 3.43Å; E55-K59 PolarHBondContact O-N 3.45Å; E55-K59 VanDerWaalsContact O-N 3.09Å; E55-K59 WeakPolarHBondContact OE1-CE 3.32Å; E55-K59 IonicContact OE1-NZ 3.55Å; E55-K59 PolarHBondContact OE1-NZ 2.91Å
56	Q	94.2	Very high	94.3	Very high	143 Å²	143	103.1 Å²	103.1	67%	0.668	51%	0.511	S	S	*	.	H	α-helix	trans	-71.8	-36.8	177.3	-170.3	154.7	-40.2	0	0	112.3	S52 I53 Q54 K59 N60	S52-Q56 VanDerWaalsContact O-CB 3.22Å; S52-Q56 WeakPolarHBondContact O-CB 3.49Å; S52-Q56 PolarHBondContact O-N 2.94Å; I53-Q56 PolarHBondContact O-N 3.36Å; Q54-Q56 VanDerWaalsContact C-N 3.29Å; Q54-Q56 PolarHBondContact O-N 3.12Å; Q56-K59 PolarHBondContact O-N 3.16Å; Q56-N60 VanDerWaalsContact O-CB 3.25Å; Q56-N60 WeakPolarHBondContact O-CB 3.29Å; Q56-N60 PolarHBondContact O-N 2.89Å
57	E	95	Very high	94.5	Very high	114 Å²	114	100.6 Å²	100.6	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-45.2	171.1	-76.1	-175.5	167	0	0	111.9	I53 Q54 N60 N61	I53-E57 HydrophobicContact CG2-CG 4.44Å; I53-E57 WeakPolarHBondContact O-CG 3.2Å; I53-E57 PolarHBondContact O-N 3.01Å; Q54-E57 PolarHBondContact O-N 2.88Å; E57-N60 PolarHBondContact O-N 2.83Å; E57-N61 WeakPolarHBondContact O-CB 3.37Å; E57-N61 VanDerWaalsContact O-CG 3.26Å; E57-N61 PolarHBondContact O-N 3.45Å; E57-N61 PolarHBondContact O-ND2 3.41Å
58	I	94.7	Very high	94.6	Very high	99 Å²	99	101.2 Å²	101.2	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-58.8	-51.6	176.3	-68.5	165.9	0	0	0	110.4	Q54 N60 N61 E62	Q54-I58 WeakPolarHBondContact O-CG1 3.3Å; Q54-I58 PolarHBondContact O-N 3.39Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 3.33Å; I58-N61 PolarHBondContact O-N 2.96Å; I58-E62 PolarHBondContact O-N 3.23Å
59	K	94.6	Very high	94.6	Very high	116 Å²	116	102.1 Å²	102.1	50%	0.504	50%	0.496	S	S	.	.	H	α-helix	trans	-59.5	-39.7	178.2	-72.3	170.1	-175.1	166.9	0	112.4	E55 Q56 Y63	E55-K59 VanDerWaalsContact CD-NZ 3.34Å; E55-K59 WeakPolarHBondContact O-CG 3.43Å; E55-K59 PolarHBondContact O-N 3.45Å; E55-K59 VanDerWaalsContact O-N 3.09Å; E55-K59 WeakPolarHBondContact OE1-CE 3.32Å; E55-K59 IonicContact OE1-NZ 3.55Å; E55-K59 PolarHBondContact OE1-NZ 2.91Å; Q56-K59 PolarHBondContact O-N 3.16Å; K59-Y63 WeakPolarHBondContact O-CB 3.4Å; K59-Y63 PolarHBondContact O-N 3.1Å
60	N	95.6	Very high	94.6	Very high	91 Å²	91	103.3 Å²	103.3	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-68.2	-40.7	178.9	-155.8	18.2	0	0	0	111.2	Q56 E57 I58 Y63 N64	Q56-N60 VanDerWaalsContact O-CB 3.25Å; Q56-N60 WeakPolarHBondContact O-CB 3.29Å; Q56-N60 PolarHBondContact O-N 2.89Å; E57-N60 PolarHBondContact O-N 2.83Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 3.33Å; N60-Y63 PolarHBondContact O-N 3.28Å; N60-N64 WeakPolarHBondContact O-CB 3.16Å; N60-N64 PolarHBondContact O-N 3.24Å; N60-N64 PolarHBondContact O-ND2 3.44Å; N60-N64 VanDerWaalsContact O-ND2 3.15Å
61	N	95.6	Very high	94.5	Very high	104 Å²	104	104.5 Å²	104.5	56%	0.556	50%	0.5	S	S	*	.	H	α-helix	trans	-64.3	-43.4	175.2	-74.9	-30	0	0	0	112.6	E57 I58 N64 S65	E57-N61 WeakPolarHBondContact O-CB 3.37Å; E57-N61 VanDerWaalsContact O-CG 3.26Å; E57-N61 PolarHBondContact O-N 3.45Å; E57-N61 PolarHBondContact O-ND2 3.41Å; I58-N61 PolarHBondContact O-N 2.96Å; N61-N64 PolarHBondContact O-N 2.95Å; N61-S65 WeakPolarHBondContact O-CB 3.28Å; N61-S65 PolarHBondContact O-N 3.33Å
62	E	94.7	Very high	94.4	Very high	136 Å²	136	102.1 Å²	102.1	64%	0.636	50%	0.497	S	S	*	.	H	α-helix	trans	-61.2	-44.5	174.4	-72	-171.3	157	0	0	112	I58 S65 Y66	I58-E62 PolarHBondContact O-N 3.23Å; E62-S65 WeakPolarHBondContact O-CB 3.45Å; E62-S65 PolarHBondContact O-N 3.5Å; E62-Y66 PolarHBondContact O-N 3.31Å
63	Y	95.6	Very high	94.1	Very high	136 Å²	136	106.3 Å²	106.3	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-45.2	178.2	-177.9	-108.7	0	0	0	112.3	K59 N60 Y66 L67	K59-Y63 WeakPolarHBondContact O-CB 3.4Å; K59-Y63 PolarHBondContact O-N 3.1Å; N60-Y63 PolarHBondContact O-N 3.28Å; Y63-Y66 PolarHBondContact O-N 2.84Å; Y63-L67 HydrophobicContact CD1-CD1 4Å; Y63-L67 HydrophobicContact CD1-CG 4.48Å; Y63-L67 HydrophobicContact CE1-CD1 3.44Å; Y63-L67 VanDerWaalsContact CE1-CD1 3.44Å; Y63-L67 HydrophobicContact CE1-CG 4.11Å; Y63-L67 HydrophobicContact CE2-CG 4.46Å; Y63-L67 PolarHBondContact O-N 3.5Å
64	N	95.8	Very high	93.6	Very high	66 Å²	66	111.3 Å²	111.3	35%	0.353	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-47.5	174.7	-71.7	-26.8	0	0	0	111.3	N60 N61 Y66 L67 E68	N60-N64 WeakPolarHBondContact O-CB 3.16Å; N60-N64 PolarHBondContact O-N 3.24Å; N60-N64 PolarHBondContact O-ND2 3.44Å; N60-N64 VanDerWaalsContact O-ND2 3.15Å; N61-N64 PolarHBondContact O-N 2.95Å; N64-Y66 VanDerWaalsContact C-N 3.28Å; N64-Y66 PolarHBondContact O-N 2.9Å; N64-L67 PolarHBondContact O-N 2.92Å; N64-L67 VanDerWaalsContact O-N 3.11Å; N64-E68 WeakPolarHBondContact O-CG 2.91Å; N64-E68 PolarHBondContact O-N 2.94Å
65	S	94.7	Very high	93.2	Very high	50 Å²	50	112.2 Å²	112.2	35%	0.35	53%	0.527	S	S	.	.	H	α-helix	trans	-57	-36.4	174.3	-105	0	0	0	0	113.6	N61 E62 K69	N61-S65 WeakPolarHBondContact O-CB 3.28Å; N61-S65 PolarHBondContact O-N 3.33Å; E62-S65 WeakPolarHBondContact O-CB 3.45Å; E62-S65 PolarHBondContact O-N 3.5Å; S65-K69 WeakPolarHBondContact O-CB 3.34Å; S65-K69 WeakPolarHBondContact O-CD 3.45Å; S65-K69 VanDerWaalsContact O-CG 3.24Å; S65-K69 WeakPolarHBondContact O-CG 3.3Å; S65-K69 PolarHBondContact O-N 2.98Å
66	Y	95.8	Very high	92.6	Very high	130 Å²	130	118.5 Å²	118.5	51%	0.51	55%	0.547	S	S	.	.	H	α-helix	trans	-69.4	-44.7	174.5	169.8	-93.1	0	0	0	111.8	E62 Y63 N64 K69 K70	E62-Y66 PolarHBondContact O-N 3.31Å; Y63-Y66 PolarHBondContact O-N 2.84Å; N64-Y66 VanDerWaalsContact C-N 3.28Å; N64-Y66 PolarHBondContact O-N 2.9Å; Y66-K69 PolarHBondContact O-N 3Å; Y66-K70 HydrophobicContact CE1-CD 3.79Å; Y66-K70 WeakPolarHBondContact O-CB 3.12Å; Y66-K70 PolarHBondContact O-N 2.91Å; Y66-K70 PolarHBondContact OH-NZ 3.49Å
67	L	95.5	Very high	91.9	Very high	65 Å²	65	117.8 Å²	117.8	34%	0.34	55%	0.548	S	S	.	.	H	α-helix	trans	-61.2	-46.4	178	-72.8	-177.7	0	0	0	111.8	Y63 N64 K69 K70 Q71	Y63-L67 HydrophobicContact CD1-CD1 4Å; Y63-L67 HydrophobicContact CD1-CG 4.48Å; Y63-L67 HydrophobicContact CE1-CD1 3.44Å; Y63-L67 VanDerWaalsContact CE1-CD1 3.44Å; Y63-L67 HydrophobicContact CE1-CG 4.11Å; Y63-L67 HydrophobicContact CE2-CG 4.46Å; Y63-L67 PolarHBondContact O-N 3.5Å; N64-L67 PolarHBondContact O-N 2.92Å; N64-L67 VanDerWaalsContact O-N 3.11Å; L67-K69 PolarHBondContact O-N 3.48Å; L67-K70 WeakPolarHBondContact O-CB 3.49Å; L67-K70 PolarHBondContact O-N 3.39Å; L67-Q71 WeakPolarHBondContact O-CB 3.48Å; L67-Q71 PolarHBondContact O-N 3.28Å
68	E	94.8	Very high	91.2	Very high	122 Å²	122	115.3 Å²	115.3	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-57.6	-48	176	-73.8	179.9	171.2	0	0	112.1	N64 K70 Q71 S72	N64-E68 WeakPolarHBondContact O-CG 2.91Å; N64-E68 PolarHBondContact O-N 2.94Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 3.25Å; E68-Q71 PolarHBondContact O-N 2.85Å; E68-S72 VanDerWaalsContact O-CB 3.31Å; E68-S72 WeakPolarHBondContact O-CB 3.42Å; E68-S72 PolarHBondContact O-N 3.2Å; E68-S72 PolarHBondContact O-OG 3.49Å
69	K	93.4	Very high	90.4	Very high	139 Å²	139	115.7 Å²	115.7	60%	0.604	55%	0.55	S	S	*	.	H	α-helix	trans	-62	-38.8	177.4	-73.4	167.9	-172.7	165.4	0	111.7	S65 Y66 L67 K73	S65-K69 WeakPolarHBondContact O-CB 3.34Å; S65-K69 WeakPolarHBondContact O-CD 3.45Å; S65-K69 VanDerWaalsContact O-CG 3.24Å; S65-K69 WeakPolarHBondContact O-CG 3.3Å; S65-K69 PolarHBondContact O-N 2.98Å; Y66-K69 PolarHBondContact O-N 3Å; L67-K69 PolarHBondContact O-N 3.48Å; K69-K73 WeakPolarHBondContact O-CG 3.42Å; K69-K73 PolarHBondContact O-N 3.09Å; K69-K73 VanDerWaalsContact O-N 3.1Å
70	K	92.3	Very high	89.8	Confident	105 Å²	105	113.2 Å²	113.2	46%	0.457	54%	0.544	S	S	.	.	H	α-helix	trans	-68.8	-41.2	177.2	-172.1	176.3	-173.6	170	0	111.9	Y66 L67 E68 R74	Y66-K70 HydrophobicContact CE1-CD 3.79Å; Y66-K70 WeakPolarHBondContact O-CB 3.12Å; Y66-K70 PolarHBondContact O-N 2.91Å; Y66-K70 PolarHBondContact OH-NZ 3.49Å; L67-K70 WeakPolarHBondContact O-CB 3.49Å; L67-K70 PolarHBondContact O-N 3.39Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 3.25Å; K70-R74 PolarHBondContact O-N 3.01Å; K70-R74 VanDerWaalsContact O-N 3.13Å
71	Q	91.6	Very high	89.3	Confident	125 Å²	125	115.9 Å²	115.9	58%	0.584	56%	0.558	S	S	*	*	H	α-helix	trans	-67.8	-44.2	176.4	-173.3	174.4	-2.7	0	0	111.5	L67 E68 K73 R74 L75	L67-Q71 WeakPolarHBondContact O-CB 3.48Å; L67-Q71 PolarHBondContact O-N 3.28Å; E68-Q71 PolarHBondContact O-N 2.85Å; Q71-K73 PolarHBondContact O-N 2.98Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.91Å; Q71-R74 VanDerWaalsContact O-N 3.11Å; Q71-L75 HydrophobicContact CG-CD1 4Å; Q71-L75 PolarHBondContact O-N 3.16Å
72	S	90.2	Very high	88.9	Confident	67 Å²	67	117 Å²	117	47%	0.469	56%	0.56	S	S	.	*	H	α-helix	trans	-60.8	-40.5	176	-59.8	0	0	0	0	112.5	E68 L75 R76	E68-S72 VanDerWaalsContact O-CB 3.31Å; E68-S72 WeakPolarHBondContact O-CB 3.42Å; E68-S72 PolarHBondContact O-N 3.2Å; E68-S72 PolarHBondContact O-OG 3.49Å; S72-L75 PolarHBondContact O-N 2.92Å; S72-R76 WeakPolarHBondContact O-CB 3.38Å; S72-R76 PolarHBondContact O-N 2.85Å
73	K	87.8	Confident	88.7	Confident	152 Å²	152	114.8 Å²	114.8	66%	0.661	55%	0.552	S	S	*	*	H	α-helix	trans	-64.6	-39.2	173.1	-77.9	-178	178.4	-175.5	0	112.4	K69 Q71 N77	K69-K73 WeakPolarHBondContact O-CG 3.42Å; K69-K73 PolarHBondContact O-N 3.09Å; K69-K73 VanDerWaalsContact O-N 3.1Å; Q71-K73 PolarHBondContact O-N 2.98Å; K73-N77 WeakPolarHBondContact O-CB 3.41Å; K73-N77 PolarHBondContact O-N 2.9Å; K73-N77 VanDerWaalsContact O-N 3.15Å
74	R	85.7	Confident	88.4	Confident	195 Å²	195	115 Å²	115	74%	0.736	55%	0.553	S	S	*	*	H	α-helix	trans	-63.3	-48.4	174.4	-85.9	-178	148.9	-164.4	-8.2	111.8	K70 Q71 N77 S78	K70-R74 PolarHBondContact O-N 3.01Å; K70-R74 VanDerWaalsContact O-N 3.13Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.91Å; Q71-R74 VanDerWaalsContact O-N 3.11Å; R74-N77 PolarHBondContact O-N 3.49Å; R74-S78 WeakPolarHBondContact O-CB 3.43Å; R74-S78 PolarHBondContact O-N 3.41Å; R74-S78 PolarHBondContact O-OG 3.35Å
75	L	85.5	Confident	88.2	Confident	116 Å²	116	118.7 Å²	118.7	61%	0.607	56%	0.563	S	S	*	*	H	α-helix	trans	-63.1	-38.7	178.4	-80.5	157.9	0	0	0	113.1	Q71 S72 S78	Q71-L75 HydrophobicContact CG-CD1 4Å; Q71-L75 PolarHBondContact O-N 3.16Å; S72-L75 PolarHBondContact O-N 2.92Å; L75-S78 PolarHBondContact O-OG 2.98Å
76	R	82.6	Confident	88.2	Confident	217 Å²	217	120.7 Å²	120.7	82%	0.819	57%	0.569	S	S	*	*	H	α-helix	trans	-71.8	-33.2	178.9	-171.5	-179.8	-63.9	-169.4	-0.7	113	S72	S72-R76 WeakPolarHBondContact O-CB 3.38Å; S72-R76 PolarHBondContact O-N 2.85Å
77	N	78	Confident	88.1	Confident	129 Å²	129	120.4 Å²	120.4	69%	0.69	57%	0.571	S	S	*	*	H	α-helix	trans	-99	-5.1	-176.5	-65.8	10.2	0	0	0	113.1	K73 R74 V79	K73-N77 WeakPolarHBondContact O-CB 3.41Å; K73-N77 PolarHBondContact O-N 2.9Å; K73-N77 VanDerWaalsContact O-N 3.15Å; R74-N77 PolarHBondContact O-N 3.49Å; N77-V79 PolarHBondContact O-N 3.36Å; N77-V79 VanDerWaalsContact O-N 3.14Å
78	S	80.5	Confident	88.1	Confident	61 Å²	61	119.4 Å²	119.4	43%	0.427	57%	0.567	S	S	.	*			trans	-75.9	96.2	168.6	55.1	0	0	0	0	109.1	R74 L75 T80	R74-S78 WeakPolarHBondContact O-CB 3.43Å; R74-S78 PolarHBondContact O-N 3.41Å; R74-S78 PolarHBondContact O-OG 3.35Å; L75-S78 PolarHBondContact O-OG 2.98Å; S78-T80 PolarHBondContact O-N 3.33Å
79	V	77.3	Confident	88.1	Confident	108 Å²	108	115.6 Å²	115.6	66%	0.655	55%	0.553	S	S	*	*			trans	-56.5	118	158.1	179.7	0	0	0	0	106.3	N77 D83	N77-V79 PolarHBondContact O-N 3.36Å; N77-V79 VanDerWaalsContact O-N 3.14Å; V79-D83 HydrophobicContact CG1-CB 4.22Å
80	T	83.1	Confident	88.2	Confident	64 Å²	64	113 Å²	113	39%	0.393	55%	0.545	S	S	.	.			trans	-73.1	155.4	176.7	72.8	0	0	0	0	109.3	S78 E82 D83 Y84	S78-T80 PolarHBondContact O-N 3.33Å; T80-E82 PolarHBondContact O-N 3.48Å; T80-D83 VanDerWaalsContact CB-OD2 3.31Å; T80-D83 WeakPolarHBondContact CB-OD2 3.39Å; T80-D83 WeakPolarHBondContact CG2-OD2 3.41Å; T80-D83 PolarHBondContact N-OD2 3.14Å; T80-D83 PolarHBondContact O-N 3.46Å; T80-D83 PolarHBondContact OG1-N 2.97Å; T80-D83 VanDerWaalsContact OG1-N 3.09Å; T80-D83 PolarHBondContact OG1-OD2 3.36Å; T80-Y84 PolarHBondContact O-N 3.4Å; T80-Y84 VanDerWaalsContact O-N 3.14Å
81	L	84.5	Confident	88.4	Confident	147 Å²	147	111.6 Å²	111.6	77%	0.77	54%	0.541	S	S	*	.	H	α-helix	trans	-59.1	-30.9	175.3	-176.2	60.7	0	0	0	111.2	Y85	L81-Y85 VanDerWaalsContact O-CB 3.25Å; L81-Y85 WeakPolarHBondContact O-CB 3.3Å; L81-Y85 PolarHBondContact O-N 3.38Å
82	E	87.9	Confident	88.6	Confident	128 Å²	128	111 Å²	111	60%	0.598	54%	0.541	S	S	*	.	H	α-helix	trans	-67.1	-47	175.4	-166.9	62.8	-154.3	0	0	112	T80 Y84 Y85 L86	T80-E82 PolarHBondContact O-N 3.48Å; E82-Y84 VanDerWaalsContact C-N 3.32Å; E82-Y84 PolarHBondContact O-N 3.15Å; E82-Y85 PolarHBondContact O-N 2.9Å; E82-L86 WeakPolarHBondContact O-CB 3.18Å; E82-L86 PolarHBondContact O-N 2.86Å
83	D	89.5	Confident	88.9	Confident	88 Å²	88	111.6 Å²	111.6	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-60.2	-43.1	177.5	-59.4	-54.1	0	0	0	111.5	V79 T80 F87	V79-D83 HydrophobicContact CG1-CB 4.22Å; T80-D83 VanDerWaalsContact CB-OD2 3.31Å; T80-D83 WeakPolarHBondContact CB-OD2 3.39Å; T80-D83 WeakPolarHBondContact CG2-OD2 3.41Å; T80-D83 PolarHBondContact N-OD2 3.14Å; T80-D83 PolarHBondContact O-N 3.46Å; T80-D83 PolarHBondContact OG1-N 2.97Å; T80-D83 VanDerWaalsContact OG1-N 3.09Å; T80-D83 PolarHBondContact OG1-OD2 3.36Å; D83-F87 WeakPolarHBondContact O-CB 3.37Å; D83-F87 PolarHBondContact O-N 3.27Å
84	Y	90.1	Very high	89.4	Confident	142 Å²	142	110.7 Å²	110.7	56%	0.557	53%	0.528	S	S	*	.	H	α-helix	trans	-66.7	-40.7	177.3	178.8	-99	0	0	0	111.9	T80 E82 T88	T80-Y84 PolarHBondContact O-N 3.4Å; T80-Y84 VanDerWaalsContact O-N 3.14Å; E82-Y84 VanDerWaalsContact C-N 3.32Å; E82-Y84 PolarHBondContact O-N 3.15Å; Y84-T88 WeakPolarHBondContact O-CB 3.42Å; Y84-T88 PolarHBondContact O-N 3.43Å; Y84-T88 PolarHBondContact O-OG1 3.28Å
85	Y	91.8	Very high	89.9	Confident	143 Å²	143	104.9 Å²	104.9	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-63.2	-49.4	175.5	177.1	-103.6	0	0	0	111.1	L81 E82 F87 T88 V89	L81-Y85 VanDerWaalsContact O-CB 3.25Å; L81-Y85 WeakPolarHBondContact O-CB 3.3Å; L81-Y85 PolarHBondContact O-N 3.38Å; E82-Y85 PolarHBondContact O-N 2.9Å; Y85-F87 PolarHBondContact O-N 3.45Å; Y85-T88 PolarHBondContact O-N 3.47Å; Y85-T88 VanDerWaalsContact O-N 3.16Å; Y85-V89 HydrophobicContact CD1-CG2 4.28Å; Y85-V89 HydrophobicContact CD2-CG2 4.28Å; Y85-V89 HydrophobicContact CE1-CG2 3.86Å; Y85-V89 HydrophobicContact CE2-CG2 3.86Å; Y85-V89 HydrophobicContact CG-CG2 4.47Å; Y85-V89 WeakPolarHBondContact O-CG2 3.4Å; Y85-V89 PolarHBondContact O-N 2.93Å
86	L	94.4	Very high	90.5	Very high	92 Å²	92	104.6 Å²	104.6	48%	0.482	50%	0.503	S	S	.	.	H	α-helix	trans	-60.7	-43.2	178.2	-179.2	60.6	0	0	0	111.9	E82 V89 N90	E82-L86 WeakPolarHBondContact O-CB 3.18Å; E82-L86 PolarHBondContact O-N 2.86Å; L86-V89 PolarHBondContact O-N 3.24Å; L86-N90 WeakPolarHBondContact O-CB 3.05Å; L86-N90 PolarHBondContact O-N 3.34Å; L86-N90 PolarHBondContact O-ND2 2.88Å
87	F	94.3	Very high	91.2	Very high	123 Å²	123	97.8 Å²	97.8	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-58.9	-48.8	172.5	174.2	-98.8	0	0	0	111.8	D83 Y85 V89 N90 E91	D83-F87 WeakPolarHBondContact O-CB 3.37Å; D83-F87 PolarHBondContact O-N 3.27Å; Y85-F87 PolarHBondContact O-N 3.45Å; F87-V89 PolarHBondContact O-N 2.95Å; F87-N90 PolarHBondContact O-N 2.87Å; F87-E91 HydrophobicContact CD2-CG 4.44Å; F87-E91 HydrophobicContact CE1-CG 4.02Å; F87-E91 HydrophobicContact CE2-CG 3.9Å; F87-E91 HydrophobicContact CZ-CG 3.66Å; F87-E91 PolarHBondContact O-N 2.97Å
88	T	94.6	Very high	92.1	Very high	44 Å²	44	96.1 Å²	96.1	27%	0.27	47%	0.471	S	S	.	.	H	α-helix	trans	-63.3	-40.6	-179.2	-55.9	0	0	0	0	111.9	Y84 Y85 L92	Y84-T88 WeakPolarHBondContact O-CB 3.42Å; Y84-T88 PolarHBondContact O-N 3.43Å; Y84-T88 PolarHBondContact O-OG1 3.28Å; Y85-T88 PolarHBondContact O-N 3.47Å; Y85-T88 VanDerWaalsContact O-N 3.16Å; T88-L92 HydrophobicContact CG2-CD1 4.08Å; T88-L92 WeakPolarHBondContact O-CB 3.48Å; T88-L92 VanDerWaalsContact O-CG 3.25Å; T88-L92 WeakPolarHBondContact O-CG 3.3Å; T88-L92 PolarHBondContact O-N 2.87Å
89	V	95.5	Very high	92.9	Very high	43 Å²	43	98.1 Å²	98.1	26%	0.261	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-49.7	174.9	170.4	0	0	0	0	110.4	Y85 L86 F87 E91 L92 E93	Y85-V89 HydrophobicContact CD1-CG2 4.28Å; Y85-V89 HydrophobicContact CD2-CG2 4.28Å; Y85-V89 HydrophobicContact CE1-CG2 3.86Å; Y85-V89 HydrophobicContact CE2-CG2 3.86Å; Y85-V89 HydrophobicContact CG-CG2 4.47Å; Y85-V89 WeakPolarHBondContact O-CG2 3.4Å; Y85-V89 PolarHBondContact O-N 2.93Å; L86-V89 PolarHBondContact O-N 3.24Å; F87-V89 PolarHBondContact O-N 2.95Å; V89-E91 PolarHBondContact O-N 3.19Å; V89-L92 PolarHBondContact O-N 2.99Å; V89-L92 VanDerWaalsContact O-N 3.16Å; V89-E93 HydrophobicContact CG1-CG 4.23Å; V89-E93 WeakPolarHBondContact O-CG 3.19Å; V89-E93 PolarHBondContact O-N 3.39Å
90	N	96	Very high	93.8	Very high	84 Å²	84	98 Å²	98	45%	0.449	47%	0.47	S	S	.	.	H	α-helix	trans	-59.2	-42.4	-179.9	-72.8	-34.6	0	0	0	112.7	L86 F87 E93 R94	L86-N90 WeakPolarHBondContact O-CB 3.05Å; L86-N90 PolarHBondContact O-N 3.34Å; L86-N90 PolarHBondContact O-ND2 2.88Å; F87-N90 PolarHBondContact O-N 2.87Å; N90-E93 PolarHBondContact O-N 2.92Å; N90-R94 WeakPolarHBondContact O-CB 3.41Å; N90-R94 PolarHBondContact O-N 3.46Å
91	E	95.9	Very high	94.5	Very high	76 Å²	76	99.4 Å²	99.4	36%	0.355	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-43	175.3	-71.1	-63.6	112.7	0	0	111.7	F87 V89 E93 R94 D95	F87-E91 HydrophobicContact CD2-CG 4.44Å; F87-E91 HydrophobicContact CE1-CG 4.02Å; F87-E91 HydrophobicContact CE2-CG 3.9Å; F87-E91 HydrophobicContact CZ-CG 3.66Å; F87-E91 PolarHBondContact O-N 2.97Å; V89-E91 PolarHBondContact O-N 3.19Å; E91-E93 VanDerWaalsContact C-N 3.34Å; E91-E93 PolarHBondContact O-N 3.45Å; E91-R94 WeakPolarHBondContact O-CB 3.36Å; E91-R94 PolarHBondContact O-N 3.35Å; E91-R94 IonicContact OE1-NE 2.82Å; E91-R94 IonicContact OE2-NE 2.6Å; E91-D95 WeakPolarHBondContact O-CB 3.37Å; E91-D95 PolarHBondContact O-N 2.85Å
92	L	96.1	Very high	95.1	Very high	112 Å²	112	97.8 Å²	97.8	59%	0.586	47%	0.468	S	S	*	.	H	α-helix	trans	-64.6	-35.1	176	-72.9	172	0	0	0	113	T88 V89 R96	T88-L92 HydrophobicContact CG2-CD1 4.08Å; T88-L92 WeakPolarHBondContact O-CB 3.48Å; T88-L92 VanDerWaalsContact O-CG 3.25Å; T88-L92 WeakPolarHBondContact O-CG 3.3Å; T88-L92 PolarHBondContact O-N 2.87Å; V89-L92 PolarHBondContact O-N 2.99Å; V89-L92 VanDerWaalsContact O-N 3.16Å; L92-R96 WeakPolarHBondContact O-CB 3.16Å; L92-R96 PolarHBondContact O-N 3.47Å
93	E	96.6	Very high	95.6	Very high	80 Å²	80	98.7 Å²	98.7	37%	0.374	47%	0.471	S	S	.	.	H	α-helix	trans	-68.8	-41.1	173.2	-67.8	-149.4	108.3	0	0	111.7	V89 N90 E91 R96 D97	V89-E93 HydrophobicContact CG1-CG 4.23Å; V89-E93 WeakPolarHBondContact O-CG 3.19Å; V89-E93 PolarHBondContact O-N 3.39Å; N90-E93 PolarHBondContact O-N 2.92Å; E91-E93 VanDerWaalsContact C-N 3.34Å; E91-E93 PolarHBondContact O-N 3.45Å; E93-R96 WeakPolarHBondContact O-CB 3.21Å; E93-R96 PolarHBondContact O-N 2.86Å; E93-R96 IonicContact OE1-CZ 3.87Å; E93-R96 IonicContact OE1-NH1 3.47Å; E93-R96 PolarHBondContact OE1-NH1 3.15Å; E93-R96 IonicContact OE1-NH2 3.15Å; E93-R96 PolarHBondContact OE1-NH2 2.94Å; E93-D97 WeakPolarHBondContact O-CB 3.48Å; E93-D97 VanDerWaalsContact O-CG 3.24Å; E93-D97 PolarHBondContact O-N 3.37Å
94	R	96.9	Very high	95.9	Very high	132 Å²	132	97.4 Å²	97.4	50%	0.498	47%	0.472	S	S	.	.	H	α-helix	trans	-61.2	-48.4	175.6	-162.2	-173.9	82	81.1	25.2	111.3	N90 E91 D97 E98	N90-R94 WeakPolarHBondContact O-CB 3.41Å; N90-R94 PolarHBondContact O-N 3.46Å; E91-R94 WeakPolarHBondContact O-CB 3.36Å; E91-R94 PolarHBondContact O-N 3.35Å; E91-R94 IonicContact OE1-NE 2.82Å; E91-R94 IonicContact OE2-NE 2.6Å; R94-D97 PolarHBondContact O-N 2.94Å; R94-E98 IonicContact NH2-OE2 3.27Å; R94-E98 WeakPolarHBondContact O-CB 3.42Å; R94-E98 PolarHBondContact O-N 3.42Å
95	D	97.1	Very high	96.3	Very high	73 Å²	73	96.9 Å²	96.9	39%	0.39	47%	0.472	S	S	.	.	H	α-helix	trans	-65.2	-40.5	177.9	-76.3	0.6	0	0	0	111.6	E91 D97 E98 M99	E91-D95 WeakPolarHBondContact O-CB 3.37Å; E91-D95 PolarHBondContact O-N 2.85Å; D95-D97 VanDerWaalsContact C-N 3.34Å; D95-D97 PolarHBondContact O-N 3.29Å; D95-E98 PolarHBondContact O-N 3.49Å; D95-M99 WeakPolarHBondContact O-CB 3.42Å; D95-M99 VanDerWaalsContact O-CG 3.24Å; D95-M99 WeakPolarHBondContact O-CG 3.34Å; D95-M99 PolarHBondContact O-N 2.95Å
96	R	97.1	Very high	96.6	Very high	110 Å²	110	96.5 Å²	96.5	42%	0.415	47%	0.47	S	S	.	.	H	α-helix	trans	-56.6	-48.1	172.6	175.3	-160.5	69.2	-148.2	-6.7	111.1	L92 E93 M99 L100	L92-R96 WeakPolarHBondContact O-CB 3.16Å; L92-R96 PolarHBondContact O-N 3.47Å; E93-R96 WeakPolarHBondContact O-CB 3.21Å; E93-R96 PolarHBondContact O-N 2.86Å; E93-R96 IonicContact OE1-CZ 3.87Å; E93-R96 IonicContact OE1-NH1 3.47Å; E93-R96 PolarHBondContact OE1-NH1 3.15Å; E93-R96 IonicContact OE1-NH2 3.15Å; E93-R96 PolarHBondContact OE1-NH2 2.94Å; R96-M99 PolarHBondContact O-N 3.29Å; R96-L100 HydrophobicContact CG-CD1 4.01Å; R96-L100 WeakPolarHBondContact O-CB 3.42Å; R96-L100 VanDerWaalsContact O-CG 3.3Å; R96-L100 WeakPolarHBondContact O-CG 3.49Å; R96-L100 PolarHBondContact O-N 2.92Å
97	D	97.3	Very high	96.7	Very high	75 Å²	75	99.2 Å²	99.2	40%	0.401	48%	0.478	S	S	.	.	H	α-helix	trans	-73.9	-34.4	-175	-66.1	-12	0	0	0	111.6	E93 R94 D95 L100 T101	E93-D97 WeakPolarHBondContact O-CB 3.48Å; E93-D97 VanDerWaalsContact O-CG 3.24Å; E93-D97 PolarHBondContact O-N 3.37Å; R94-D97 PolarHBondContact O-N 2.94Å; D95-D97 VanDerWaalsContact C-N 3.34Å; D95-D97 PolarHBondContact O-N 3.29Å; D97-L100 PolarHBondContact O-N 2.89Å; D97-T101 WeakPolarHBondContact O-CG2 3.27Å; D97-T101 PolarHBondContact O-N 3.42Å; D97-T101 PolarHBondContact O-OG1 3.36Å
98	E	97.3	Very high	96.9	Very high	94 Å²	94	96.4 Å²	96.4	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-45.9	168.8	-174.1	169	175.2	0	0	111.4	R94 D95 T101 M102	R94-E98 IonicContact NH2-OE2 3.27Å; R94-E98 WeakPolarHBondContact O-CB 3.42Å; R94-E98 PolarHBondContact O-N 3.42Å; D95-E98 PolarHBondContact O-N 3.49Å; E98-T101 PolarHBondContact O-N 2.92Å; E98-T101 PolarHBondContact O-OG1 2.93Å; E98-M102 WeakPolarHBondContact O-CB 3.42Å; E98-M102 WeakPolarHBondContact O-CG 3.43Å; E98-M102 PolarHBondContact O-N 2.71Å
99	M	97.1	Very high	97	Very high	102 Å²	102	97.6 Å²	97.6	50%	0.502	48%	0.476	S	S	.	.	H	α-helix	trans	-62.3	-45.6	175.1	-70.9	-60.4	121.3	0	0	111.9	D95 R96 T101 M102 F103	D95-M99 WeakPolarHBondContact O-CB 3.42Å; D95-M99 VanDerWaalsContact O-CG 3.24Å; D95-M99 WeakPolarHBondContact O-CG 3.34Å; D95-M99 PolarHBondContact O-N 2.95Å; R96-M99 PolarHBondContact O-N 3.29Å; M99-T101 PolarHBondContact O-N 3.38Å; M99-M102 PolarHBondContact O-N 2.81Å; M99-F103 HydrophobicContact CB-CD2 4.38Å; M99-F103 HydrophobicContact CB-CE2 4.42Å; M99-F103 WeakPolarHBondContact O-CB 2.74Å; M99-F103 WeakPolarHBondContact O-CD2 3.34Å; M99-F103 PolarHBondContact O-N 2.87Å
100	L	97.2	Very high	97.1	Very high	107 Å²	107	99.9 Å²	99.9	56%	0.56	49%	0.486	S	S	*	.	H	α-helix	trans	-61.6	-42.6	179.3	-75.8	173.2	0	0	0	112.3	R96 D97 F103 A104	R96-L100 HydrophobicContact CG-CD1 4.01Å; R96-L100 WeakPolarHBondContact O-CB 3.42Å; R96-L100 VanDerWaalsContact O-CG 3.3Å; R96-L100 WeakPolarHBondContact O-CG 3.49Å; R96-L100 PolarHBondContact O-N 2.92Å; D97-L100 PolarHBondContact O-N 2.89Å; L100-F103 PolarHBondContact O-N 2.92Å; L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.33Å; L100-A104 PolarHBondContact O-N 3.47Å
101	T	97.3	Very high	97.2	Very high	92 Å²	92	101.9 Å²	101.9	56%	0.564	49%	0.493	S	S	*	.	H	α-helix	trans	-67.3	-40.9	176.8	52.4	0	0	0	0	112	D97 E98 M99 A104 K105	D97-T101 WeakPolarHBondContact O-CG2 3.27Å; D97-T101 PolarHBondContact O-N 3.42Å; D97-T101 PolarHBondContact O-OG1 3.36Å; E98-T101 PolarHBondContact O-N 2.92Å; E98-T101 PolarHBondContact O-OG1 2.93Å; M99-T101 PolarHBondContact O-N 3.38Å; T101-A104 PolarHBondContact O-N 2.91Å; T101-K105 WeakPolarHBondContact O-CB 3.47Å; T101-K105 PolarHBondContact O-N 3.19Å
102	M	97.4	Very high	97.3	Very high	114 Å²	114	102.2 Å²	102.2	56%	0.562	50%	0.497	S	S	*	.	H	α-helix	trans	-62.1	-45.4	173.4	-77.9	-71.8	-80.4	0	0	112.5	E98 M99 K105 R106	E98-M102 WeakPolarHBondContact O-CB 3.42Å; E98-M102 WeakPolarHBondContact O-CG 3.43Å; E98-M102 PolarHBondContact O-N 2.71Å; M99-M102 PolarHBondContact O-N 2.81Å; M102-K105 PolarHBondContact O-N 3.46Å; M102-R106 VanDerWaalsContact O-CB 3.3Å; M102-R106 WeakPolarHBondContact O-CB 3.41Å; M102-R106 PolarHBondContact O-N 3.44Å
103	F	97.6	Very high	97.4	Very high	147 Å²	147	100.6 Å²	100.6	65%	0.645	49%	0.492	S	S	*	.	H	α-helix	trans	-65.2	-40.1	175.5	-81.5	-63.2	0	0	0	112.4	M99 L100 R106 K107	M99-F103 HydrophobicContact CB-CD2 4.38Å; M99-F103 HydrophobicContact CB-CE2 4.42Å; M99-F103 WeakPolarHBondContact O-CB 2.74Å; M99-F103 WeakPolarHBondContact O-CD2 3.34Å; M99-F103 PolarHBondContact O-N 2.87Å; L100-F103 PolarHBondContact O-N 2.92Å; F103-R106 PolarHBondContact O-N 3.19Å; F103-K107 WeakPolarHBondContact O-CB 3.49Å; F103-K107 PolarHBondContact O-N 2.9Å
104	A	97	Very high	97.4	Very high	60 Å²	60	101.1 Å²	101.1	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-62.9	-47.1	176.6	0	0	0	0	0	111.7	L100 T101 K107 S108	L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.33Å; L100-A104 PolarHBondContact O-N 3.47Å; T101-A104 PolarHBondContact O-N 2.91Å; A104-K107 PolarHBondContact O-N 3.42Å; A104-S108 PolarHBondContact O-N 3.03Å; A104-S108 VanDerWaalsContact O-N 3.07Å
105	K	97.8	Very high	97.4	Very high	131 Å²	131	99.1 Å²	99.1	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-58.4	-50.9	174.2	-177.4	-177.2	176.8	-173	0	111	T101 M102 K107 S108 E109	T101-K105 WeakPolarHBondContact O-CB 3.47Å; T101-K105 PolarHBondContact O-N 3.19Å; M102-K105 PolarHBondContact O-N 3.46Å; K105-K107 VanDerWaalsContact C-N 3.3Å; K105-K107 PolarHBondContact O-N 2.95Å; K105-S108 WeakPolarHBondContact O-CB 3.25Å; K105-S108 PolarHBondContact O-N 2.8Å; K105-S108 VanDerWaalsContact O-N 3.09Å; K105-E109 VanDerWaalsContact CE-OE1 3.23Å; K105-E109 WeakPolarHBondContact CE-OE1 3.03Å; K105-E109 WeakPolarHBondContact O-CG 3.28Å; K105-E109 PolarHBondContact O-N 3.36Å
106	R	97.5	Very high	97.4	Very high	136 Å²	136	101.3 Å²	101.3	51%	0.513	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-35.9	-178.3	-172.5	54.9	176.7	168.5	1.7	112.7	M102 F103 E109 L110	M102-R106 VanDerWaalsContact O-CB 3.3Å; M102-R106 WeakPolarHBondContact O-CB 3.41Å; M102-R106 PolarHBondContact O-N 3.44Å; F103-R106 PolarHBondContact O-N 3.19Å; R106-E109 VanDerWaalsContact CD-OE2 3.29Å; R106-E109 WeakPolarHBondContact CD-OE2 3.42Å; R106-E109 IonicContact CZ-OE2 2.64Å; R106-E109 IonicContact NE-OE2 2.7Å; R106-E109 IonicContact NH1-OE2 3.64Å; R106-E109 PolarHBondContact NH1-OE2 3.21Å; R106-L110 HydrophobicContact CG-CD1 4.15Å; R106-L110 WeakPolarHBondContact O-CB 3.32Å; R106-L110 VanDerWaalsContact O-CG 3.27Å; R106-L110 WeakPolarHBondContact O-CG 3.32Å; R106-L110 PolarHBondContact O-N 2.85Å
107	K	97.6	Very high	97.5	Very high	149 Å²	149	101.1 Å²	101.1	65%	0.648	51%	0.507	S	S	*	.	H	α-helix	trans	-63.3	-42.2	173.4	-177.9	-179	177.2	-176.5	0	111.7	F103 A104 K105 Q111	F103-K107 WeakPolarHBondContact O-CB 3.49Å; F103-K107 PolarHBondContact O-N 2.9Å; A104-K107 PolarHBondContact O-N 3.42Å; K105-K107 VanDerWaalsContact C-N 3.3Å; K105-K107 PolarHBondContact O-N 2.95Å; K107-Q111 WeakPolarHBondContact O-CB 3.33Å; K107-Q111 PolarHBondContact O-N 2.87Å
108	S	97.8	Very high	97.5	Very high	63 Å²	63	103.5 Å²	103.5	44%	0.441	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-50.7	175.2	-162.5	0	0	0	0	111.4	A104 K105 L110 Q111 D112	A104-S108 PolarHBondContact O-N 3.03Å; A104-S108 VanDerWaalsContact O-N 3.07Å; K105-S108 WeakPolarHBondContact O-CB 3.25Å; K105-S108 PolarHBondContact O-N 2.8Å; K105-S108 VanDerWaalsContact O-N 3.09Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 2.99Å; S108-Q111 WeakPolarHBondContact O-CB 3.42Å; S108-Q111 PolarHBondContact O-N 3.14Å; S108-D112 PolarHBondContact O-N 3.46Å
109	E	97.7	Very high	97.4	Very high	69 Å²	69	104.8 Å²	104.8	32%	0.322	52%	0.518	S	S	.	.	H	α-helix	trans	-54.5	-46.4	177.3	-68.8	171.1	-177	0	0	112.2	K105 R106 Q111 D112 V113	K105-E109 VanDerWaalsContact CE-OE1 3.23Å; K105-E109 WeakPolarHBondContact CE-OE1 3.03Å; K105-E109 WeakPolarHBondContact O-CG 3.28Å; K105-E109 PolarHBondContact O-N 3.36Å; R106-E109 VanDerWaalsContact CD-OE2 3.29Å; R106-E109 WeakPolarHBondContact CD-OE2 3.42Å; R106-E109 IonicContact CZ-OE2 2.64Å; R106-E109 IonicContact NE-OE2 2.7Å; R106-E109 IonicContact NH1-OE2 3.64Å; R106-E109 PolarHBondContact NH1-OE2 3.21Å; E109-Q111 VanDerWaalsContact C-N 3.34Å; E109-Q111 PolarHBondContact O-N 2.88Å; E109-D112 PolarHBondContact O-N 2.94Å; E109-V113 WeakPolarHBondContact O-CG2 3.34Å; E109-V113 PolarHBondContact O-N 3.35Å
110	L	97.6	Very high	97.4	Very high	92 Å²	92	104.8 Å²	104.8	48%	0.482	52%	0.519	S	S	.	.	H	α-helix	trans	-66.6	-34.6	178.5	-72.4	171.2	0	0	0	112.5	R106 S108 L114	R106-L110 HydrophobicContact CG-CD1 4.15Å; R106-L110 WeakPolarHBondContact O-CB 3.32Å; R106-L110 VanDerWaalsContact O-CG 3.27Å; R106-L110 WeakPolarHBondContact O-CG 3.32Å; R106-L110 PolarHBondContact O-N 2.85Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 2.99Å; L110-L114 WeakPolarHBondContact O-CB 2.78Å; L110-L114 PolarHBondContact O-N 3.33Å
111	Q	97.5	Very high	97.4	Very high	126 Å²	126	104 Å²	104	59%	0.589	52%	0.515	S	S	*	.	H	α-helix	trans	-68.6	-39.3	175.3	-178.6	171.5	-30.5	0	0	111.7	K107 S108 E109 L114 L115	K107-Q111 WeakPolarHBondContact O-CB 3.33Å; K107-Q111 PolarHBondContact O-N 2.87Å; S108-Q111 WeakPolarHBondContact O-CB 3.42Å; S108-Q111 PolarHBondContact O-N 3.14Å; E109-Q111 VanDerWaalsContact C-N 3.34Å; E109-Q111 PolarHBondContact O-N 2.88Å; Q111-L114 PolarHBondContact O-N 2.91Å; Q111-L115 WeakPolarHBondContact O-CB 3.43Å; Q111-L115 PolarHBondContact O-N 3.43Å
112	D	97.5	Very high	97.4	Very high	82 Å²	82	105.5 Å²	105.5	44%	0.439	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-46.1	176.1	-71.1	-37.2	0	0	0	111.7	S108 E109 L114 L115 Q116	S108-D112 PolarHBondContact O-N 3.46Å; E109-D112 PolarHBondContact O-N 2.94Å; D112-L114 PolarHBondContact O-N 2.86Å; D112-L115 PolarHBondContact O-N 3.09Å; D112-Q116 WeakPolarHBondContact O-CG 3.43Å; D112-Q116 PolarHBondContact O-N 3.18Å
113	V	97.6	Very high	97.4	Very high	78 Å²	78	103.9 Å²	103.9	47%	0.473	51%	0.508	S	S	.	.	H	α-helix	trans	-59.1	-47.1	173.2	171.5	0	0	0	0	110.6	E109 L115 Q116 E117	E109-V113 WeakPolarHBondContact O-CG2 3.34Å; E109-V113 PolarHBondContact O-N 3.35Å; V113-L115 VanDerWaalsContact C-N 3.26Å; V113-L115 PolarHBondContact O-N 3.35Å; V113-Q116 PolarHBondContact O-N 3.49Å; V113-Q116 VanDerWaalsContact O-N 3.14Å; V113-E117 HydrophobicContact CG1-CG 4.28Å; V113-E117 WeakPolarHBondContact O-CG 3.22Å; V113-E117 PolarHBondContact O-N 3.39Å
114	L	97.5	Very high	97.3	Very high	92 Å²	92	99.5 Å²	99.5	48%	0.482	50%	0.499	S	S	.	.	H	α-helix	trans	-60.3	-35	177.6	-178.5	63.7	0	0	0	112.6	L110 Q111 D112 K118	L110-L114 WeakPolarHBondContact O-CB 2.78Å; L110-L114 PolarHBondContact O-N 3.33Å; Q111-L114 PolarHBondContact O-N 2.91Å; D112-L114 PolarHBondContact O-N 2.86Å; L114-K118 HydrophobicContact CD1-CD 4.5Å; L114-K118 HydrophobicContact CG-CD 4.3Å; L114-K118 WeakPolarHBondContact O-CB 3.24Å; L114-K118 WeakPolarHBondContact O-CD 3.3Å; L114-K118 WeakPolarHBondContact O-CG 3.29Å; L114-K118 PolarHBondContact O-N 2.92Å; L114-K118 VanDerWaalsContact O-N 3.09Å
115	L	97.5	Very high	97.2	Very high	89 Å²	89	104.4 Å²	104.4	47%	0.466	50%	0.504	S	S	.	.	H	α-helix	trans	-71.8	-39.2	175.8	-179	61	0	0	0	112	Q111 D112 V113 K119	Q111-L115 WeakPolarHBondContact O-CB 3.43Å; Q111-L115 PolarHBondContact O-N 3.43Å; D112-L115 PolarHBondContact O-N 3.09Å; V113-L115 VanDerWaalsContact C-N 3.26Å; V113-L115 PolarHBondContact O-N 3.35Å; L115-K119 WeakPolarHBondContact O-CG 3.34Å; L115-K119 PolarHBondContact O-N 3.49Å; L115-K119 VanDerWaalsContact O-N 3.16Å
116	Q	97.6	Very high	97.1	Very high	119 Å²	119	103 Å²	103	56%	0.556	50%	0.5	S	S	*	.	H	α-helix	trans	-64.7	-49.5	175.1	-69.9	177.2	18.1	0	0	111.2	D112 V113 K118 K119 L120	D112-Q116 WeakPolarHBondContact O-CG 3.43Å; D112-Q116 PolarHBondContact O-N 3.18Å; V113-Q116 PolarHBondContact O-N 3.49Å; V113-Q116 VanDerWaalsContact O-N 3.14Å; Q116-K118 VanDerWaalsContact C-N 3.33Å; Q116-K118 PolarHBondContact O-N 3.39Å; Q116-K119 WeakPolarHBondContact O-CB 3.24Å; Q116-K119 PolarHBondContact O-N 2.87Å; Q116-L120 WeakPolarHBondContact O-CG 3.31Å; Q116-L120 PolarHBondContact O-N 3.38Å
117	E	97.3	Very high	97	Very high	106 Å²	106	103.8 Å²	103.8	50%	0.495	51%	0.507	S	S	.	.	H	α-helix	trans	-59.5	-41	177	-72.2	-54.9	135.6	0	0	112.4	V113 K119 L120 L121	V113-E117 HydrophobicContact CG1-CG 4.28Å; V113-E117 WeakPolarHBondContact O-CG 3.22Å; V113-E117 PolarHBondContact O-N 3.39Å; E117-K119 VanDerWaalsContact C-N 3.32Å; E117-K119 PolarHBondContact O-N 3.1Å; E117-L120 PolarHBondContact O-N 2.95Å; E117-L121 VanDerWaalsContact O-CB 3.3Å; E117-L121 WeakPolarHBondContact O-CB 3.29Å; E117-L121 PolarHBondContact O-N 2.84Å
118	K	97.2	Very high	96.8	Very high	126 Å²	126	102.6 Å²	102.6	55%	0.548	51%	0.507	S	S	.	.	H	α-helix	trans	-61	-37.8	173.5	-79	172	179.8	176.2	0	112.9	L114 Q116 K122	L114-K118 HydrophobicContact CD1-CD 4.5Å; L114-K118 HydrophobicContact CG-CD 4.3Å; L114-K118 WeakPolarHBondContact O-CB 3.24Å; L114-K118 WeakPolarHBondContact O-CD 3.3Å; L114-K118 WeakPolarHBondContact O-CG 3.29Å; L114-K118 PolarHBondContact O-N 2.92Å; L114-K118 VanDerWaalsContact O-N 3.09Å; Q116-K118 VanDerWaalsContact C-N 3.33Å; Q116-K118 PolarHBondContact O-N 3.39Å; K118-K122 WeakPolarHBondContact O-CB 3.43Å; K118-K122 PolarHBondContact O-N 3.47Å
119	K	97.2	Very high	96.6	Very high	121 Å²	121	103.9 Å²	103.9	53%	0.526	51%	0.512	S	S	.	.	H	α-helix	trans	-68.8	-45.1	175.2	-71.5	170.9	-178.9	177.4	0	111.3	L115 Q116 E117 K122 N123	L115-K119 WeakPolarHBondContact O-CG 3.34Å; L115-K119 PolarHBondContact O-N 3.49Å; L115-K119 VanDerWaalsContact O-N 3.16Å; Q116-K119 WeakPolarHBondContact O-CB 3.24Å; Q116-K119 PolarHBondContact O-N 2.87Å; E117-K119 VanDerWaalsContact C-N 3.32Å; E117-K119 PolarHBondContact O-N 3.1Å; K119-K122 PolarHBondContact O-N 2.92Å; K119-N123 PolarHBondContact O-N 3.2Å; K119-N123 PolarHBondContact O-OD1 2.98Å
120	L	97	Very high	96.3	Very high	102 Å²	102	103.6 Å²	103.6	53%	0.534	52%	0.517	S	S	.	.	H	α-helix	trans	-60.7	-46.1	176.7	-68.1	176.9	0	0	0	111.5	Q116 E117 K122 N123 A124	Q116-L120 WeakPolarHBondContact O-CG 3.31Å; Q116-L120 PolarHBondContact O-N 3.38Å; E117-L120 PolarHBondContact O-N 2.95Å; L120-K122 PolarHBondContact O-N 2.83Å; L120-N123 PolarHBondContact O-N 3.02Å; L120-A124 WeakPolarHBondContact O-CB 3.27Å; L120-A124 PolarHBondContact O-N 3.47Å
121	L	97.1	Very high	96.1	Very high	90 Å²	90	102.4 Å²	102.4	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-39.8	176.9	-178.4	62	0	0	0	112.5	E117 A124 R125	E117-L121 VanDerWaalsContact O-CB 3.3Å; E117-L121 WeakPolarHBondContact O-CB 3.29Å; E117-L121 PolarHBondContact O-N 2.84Å; L121-A124 PolarHBondContact O-N 3.4Å; L121-R125 WeakPolarHBondContact O-CG 3.5Å; L121-R125 PolarHBondContact O-N 3.23Å
122	K	96.9	Very high	95.9	Very high	123 Å²	123	98.8 Å²	98.8	54%	0.535	51%	0.506	S	S	.	.	H	α-helix	trans	-61.1	-52.1	173.6	179.7	-179.8	167.3	-179.2	0	110.9	K118 K119 L120 A124 R125 E126	K118-K122 WeakPolarHBondContact O-CB 3.43Å; K118-K122 PolarHBondContact O-N 3.47Å; K119-K122 PolarHBondContact O-N 2.92Å; L120-K122 PolarHBondContact O-N 2.83Å; K122-A124 VanDerWaalsContact C-N 3.27Å; K122-A124 PolarHBondContact O-N 2.9Å; K122-R125 PolarHBondContact O-N 3.05Å; K122-R125 VanDerWaalsContact O-N 3.12Å; K122-E126 WeakPolarHBondContact CE-OE1 3.45Å; K122-E126 IonicContact NZ-OE1 3.43Å; K122-E126 PolarHBondContact O-N 2.86Å
123	N	96.8	Very high	95.7	Very high	81 Å²	81	99.2 Å²	99.2	43%	0.433	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-36.9	179.9	-65.1	-6.9	0	0	0	112	K119 L120 K127	K119-N123 PolarHBondContact O-N 3.2Å; K119-N123 PolarHBondContact O-OD1 2.98Å; L120-N123 PolarHBondContact O-N 3.02Å; N123-K127 WeakPolarHBondContact O-CB 3.34Å; N123-K127 WeakPolarHBondContact O-CG 3.19Å; N123-K127 PolarHBondContact O-N 3.39Å
124	A	95.9	Very high	95.6	Very high	55 Å²	55	99.5 Å²	99.5	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-66	-41.3	175.6	0	0	0	0	0	112.1	L120 L121 K122 K127 L128	L120-A124 WeakPolarHBondContact O-CB 3.27Å; L120-A124 PolarHBondContact O-N 3.47Å; L121-A124 PolarHBondContact O-N 3.4Å; K122-A124 VanDerWaalsContact C-N 3.27Å; K122-A124 PolarHBondContact O-N 2.9Å; A124-K127 PolarHBondContact O-N 2.92Å; A124-L128 WeakPolarHBondContact O-CB 3.34Å; A124-L128 PolarHBondContact O-N 2.9Å
125	R	95.6	Very high	95.4	Very high	162 Å²	162	100.6 Å²	100.6	61%	0.611	51%	0.509	S	S	*	.	H	α-helix	trans	-64.3	-43.8	175	-74	173.1	177.5	-172.7	-1.3	112.2	L121 K122 L128 V129	L121-R125 WeakPolarHBondContact O-CG 3.5Å; L121-R125 PolarHBondContact O-N 3.23Å; K122-R125 PolarHBondContact O-N 3.05Å; K122-R125 VanDerWaalsContact O-N 3.12Å; R125-L128 PolarHBondContact O-N 3.33Å; R125-V129 WeakPolarHBondContact O-CG2 3.36Å; R125-V129 PolarHBondContact O-N 2.93Å
126	E	95.1	Very high	95.3	Very high	103 Å²	103	100.4 Å²	100.4	48%	0.481	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-43.5	177	-71.2	173	172.4	0	0	111.7	K122 L128 V129 S130	K122-E126 WeakPolarHBondContact CE-OE1 3.45Å; K122-E126 IonicContact NZ-OE1 3.43Å; K122-E126 PolarHBondContact O-N 2.86Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.48Å; E126-V129 PolarHBondContact O-N 3.01Å; E126-S130 PolarHBondContact O-N 2.9Å
127	K	94.8	Very high	95.2	Very high	152 Å²	152	98.3 Å²	98.3	66%	0.661	50%	0.503	S	S	*	.	H	α-helix	trans	-62.5	-38.3	173	-73.8	177.9	179.3	-174.7	0	112.8	N123 A124 T131	N123-K127 WeakPolarHBondContact O-CB 3.34Å; N123-K127 WeakPolarHBondContact O-CG 3.19Å; N123-K127 PolarHBondContact O-N 3.39Å; A124-K127 PolarHBondContact O-N 2.92Å; K127-T131 WeakPolarHBondContact O-CB 3.39Å; K127-T131 PolarHBondContact O-N 3.32Å; K127-T131 PolarHBondContact O-OG1 3.36Å
128	L	94.2	Very high	95.1	Very high	124 Å²	124	100.5 Å²	100.5	65%	0.649	51%	0.507	S	S	*	.	H	α-helix	trans	-66.4	-43.8	178.3	-175.9	63.5	0	0	0	111.7	A124 R125 E126 T131 A132	A124-L128 WeakPolarHBondContact O-CB 3.34Å; A124-L128 PolarHBondContact O-N 2.9Å; R125-L128 PolarHBondContact O-N 3.33Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.48Å; L128-T131 WeakPolarHBondContact O-CB 3.49Å; L128-T131 PolarHBondContact O-N 3.17Å; L128-A132 PolarHBondContact O-N 3.4Å
129	V	92.7	Very high	95.1	Very high	90 Å²	90	100.3 Å²	100.3	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-50.4	174.6	173.3	0	0	0	0	110.6	R125 E126 T131 A132 D133	R125-V129 WeakPolarHBondContact O-CG2 3.36Å; R125-V129 PolarHBondContact O-N 2.93Å; E126-V129 PolarHBondContact O-N 3.01Å; V129-T131 PolarHBondContact O-N 3.41Å; V129-A132 WeakPolarHBondContact O-CB 3.29Å; V129-A132 PolarHBondContact O-N 2.92Å; V129-D133 PolarHBondContact O-N 2.92Å
130	S	92.6	Very high	95.1	Very high	62 Å²	62	101 Å²	101	43%	0.434	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-34.5	176.8	177.6	0	0	0	0	112.8	E126 D133 I134	E126-S130 PolarHBondContact O-N 2.9Å; S130-D133 PolarHBondContact O-N 3.02Å; S130-I134 WeakPolarHBondContact O-CD1 3.49Å; S130-I134 VanDerWaalsContact O-CG1 3.25Å; S130-I134 WeakPolarHBondContact O-CG1 3.33Å; S130-I134 PolarHBondContact O-N 3.02Å
131	T	93.5	Very high	95.1	Very high	67 Å²	67	101.5 Å²	101.5	41%	0.411	51%	0.511	S	S	.	.	H	α-helix	trans	-67.7	-39.4	174.9	-57	0	0	0	0	111.7	K127 L128 V129 I134 Q135	K127-T131 WeakPolarHBondContact O-CB 3.39Å; K127-T131 PolarHBondContact O-N 3.32Å; K127-T131 PolarHBondContact O-OG1 3.36Å; L128-T131 WeakPolarHBondContact O-CB 3.49Å; L128-T131 PolarHBondContact O-N 3.17Å; V129-T131 PolarHBondContact O-N 3.41Å; T131-I134 PolarHBondContact O-N 3.06Å; T131-Q135 WeakPolarHBondContact O-CG 3.43Å; T131-Q135 PolarHBondContact O-N 2.96Å
132	A	92.3	Very high	95.1	Very high	51 Å²	51	103 Å²	103	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-65.9	-40.2	175.1	0	0	0	0	0	112	L128 V129 I134 Q135 L136	L128-A132 PolarHBondContact O-N 3.4Å; V129-A132 WeakPolarHBondContact O-CB 3.29Å; V129-A132 PolarHBondContact O-N 2.92Å; A132-I134 VanDerWaalsContact C-N 3.35Å; A132-I134 PolarHBondContact O-N 3.35Å; A132-Q135 WeakPolarHBondContact O-CB 3.11Å; A132-Q135 PolarHBondContact O-N 3.48Å; A132-L136 PolarHBondContact O-N 3.38Å
133	D	93.9	Very high	95.2	Very high	91 Å²	91	99.9 Å²	99.9	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-43.2	174	-66.3	-34.3	0	0	0	111.5	V129 S130 Q135 L136 V137	V129-D133 PolarHBondContact O-N 2.92Å; S130-D133 PolarHBondContact O-N 3.02Å; D133-Q135 VanDerWaalsContact C-N 3.34Å; D133-Q135 PolarHBondContact O-N 2.9Å; D133-L136 PolarHBondContact O-N 3.48Å; D133-V137 WeakPolarHBondContact O-CG2 3.49Å; D133-V137 PolarHBondContact O-N 3.38Å
134	I	94.5	Very high	95.2	Very high	84 Å²	84	99.9 Å²	99.9	43%	0.431	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-40.3	175.2	-69.8	163.8	0	0	0	111.2	S130 T131 A132 V137 R138	S130-I134 WeakPolarHBondContact O-CD1 3.49Å; S130-I134 VanDerWaalsContact O-CG1 3.25Å; S130-I134 WeakPolarHBondContact O-CG1 3.33Å; S130-I134 PolarHBondContact O-N 3.02Å; T131-I134 PolarHBondContact O-N 3.06Å; A132-I134 VanDerWaalsContact C-N 3.35Å; A132-I134 PolarHBondContact O-N 3.35Å; I134-V137 PolarHBondContact O-N 3.42Å; I134-R138 WeakPolarHBondContact O-CG 3.21Å; I134-R138 PolarHBondContact O-N 2.89Å
135	Q	94.4	Very high	95.3	Very high	114 Å²	114	101.7 Å²	101.7	53%	0.533	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-43.3	175.5	-74.1	172.1	-5.4	0	0	111.8	T131 A132 D133 V137 R138 Q139	T131-Q135 WeakPolarHBondContact O-CG 3.43Å; T131-Q135 PolarHBondContact O-N 2.96Å; A132-Q135 WeakPolarHBondContact O-CB 3.11Å; A132-Q135 PolarHBondContact O-N 3.48Å; D133-Q135 VanDerWaalsContact C-N 3.34Å; D133-Q135 PolarHBondContact O-N 2.9Å; Q135-V137 PolarHBondContact O-N 3.02Å; Q135-R138 PolarHBondContact O-N 2.72Å; Q135-Q139 WeakPolarHBondContact O-CG 3.39Å; Q135-Q139 PolarHBondContact O-N 3Å
136	L	95.5	Very high	95.4	Very high	85 Å²	85	100.5 Å²	100.5	45%	0.445	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-39.1	176.2	-178	64.6	0	0	0	112.2	A132 D133 K140	A132-L136 PolarHBondContact O-N 3.38Å; D133-L136 PolarHBondContact O-N 3.48Å; L136-K140 WeakPolarHBondContact O-CG 3.35Å; L136-K140 PolarHBondContact O-N 3.35Å
137	V	95.5	Very high	95.5	Very high	76 Å²	76	101.1 Å²	101.1	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-43.5	174.7	170.9	0	0	0	0	111.1	D133 I134 Q135 K140 Q141	D133-V137 WeakPolarHBondContact O-CG2 3.49Å; D133-V137 PolarHBondContact O-N 3.38Å; I134-V137 PolarHBondContact O-N 3.42Å; Q135-V137 PolarHBondContact O-N 3.02Å; V137-K140 PolarHBondContact O-N 3.42Å; V137-Q141 HydrophobicContact CG1-CG 4.38Å; V137-Q141 WeakPolarHBondContact O-CG 3.49Å; V137-Q141 PolarHBondContact O-N 2.89Å
138	R	95.1	Very high	95.7	Very high	152 Å²	152	97.5 Å²	97.5	57%	0.574	50%	0.497	S	S	*	.	H	α-helix	trans	-60.2	-46.8	176.4	-76.5	-180	179.1	-160	-0.6	112.3	I134 Q135 K140 Q141 E142	I134-R138 WeakPolarHBondContact O-CG 3.21Å; I134-R138 PolarHBondContact O-N 2.89Å; Q135-R138 PolarHBondContact O-N 2.72Å; R138-K140 VanDerWaalsContact C-N 3.29Å; R138-K140 PolarHBondContact O-N 2.88Å; R138-Q141 WeakPolarHBondContact O-CB 3.3Å; R138-Q141 PolarHBondContact O-N 3.41Å; R138-E142 WeakPolarHBondContact O-CB 3.25Å; R138-E142 WeakPolarHBondContact O-CG 3.44Å; R138-E142 PolarHBondContact O-N 2.74Å
139	Q	96.6	Very high	95.8	Very high	122 Å²	122	97.9 Å²	97.9	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-58.1	-40.3	176.3	-73.3	174.6	-7.9	0	0	112.4	Q135 A143	Q135-Q139 WeakPolarHBondContact O-CG 3.39Å; Q135-Q139 PolarHBondContact O-N 3Å; Q139-A143 WeakPolarHBondContact O-CB 3.45Å; Q139-A143 PolarHBondContact O-N 3.44Å
140	K	97.2	Very high	96	Very high	135 Å²	135	100.7 Å²	100.7	59%	0.587	50%	0.501	S	S	*	.	H	α-helix	trans	-66.4	-38.7	174.7	-72.3	174.9	-180	179.2	0	112.4	L136 V137 R138 E144	L136-K140 WeakPolarHBondContact O-CG 3.35Å; L136-K140 PolarHBondContact O-N 3.35Å; V137-K140 PolarHBondContact O-N 3.42Å; R138-K140 VanDerWaalsContact C-N 3.29Å; R138-K140 PolarHBondContact O-N 2.88Å; K140-E144 WeakPolarHBondContact O-CB 3.4Å; K140-E144 PolarHBondContact O-N 2.96Å; K140-E144 VanDerWaalsContact O-N 3.11Å
141	Q	97.5	Very high	96.3	Very high	113 Å²	113	102.5 Å²	102.5	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-68.5	-44.2	177.1	-73.1	173.2	-29.9	0	0	111.8	V137 R138 E144 I145	V137-Q141 HydrophobicContact CG1-CG 4.38Å; V137-Q141 WeakPolarHBondContact O-CG 3.49Å; V137-Q141 PolarHBondContact O-N 2.89Å; R138-Q141 WeakPolarHBondContact O-CB 3.3Å; R138-Q141 PolarHBondContact O-N 3.41Å; Q141-E144 PolarHBondContact O-N 2.97Å; Q141-I145 WeakPolarHBondContact O-CB 3.31Å; Q141-I145 WeakPolarHBondContact O-CD1 3.3Å; Q141-I145 VanDerWaalsContact O-CG1 3.25Å; Q141-I145 WeakPolarHBondContact O-CG1 3.39Å; Q141-I145 PolarHBondContact O-N 3.03Å
142	E	97.5	Very high	96.5	Very high	121 Å²	121	103.7 Å²	103.7	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-60.5	-46	176.7	-72.8	163.3	-168.2	0	0	111.3	R138 E144 I145 E146	R138-E142 WeakPolarHBondContact O-CB 3.25Å; R138-E142 WeakPolarHBondContact O-CG 3.44Å; R138-E142 PolarHBondContact O-N 2.74Å; E142-E144 PolarHBondContact O-N 2.85Å; E142-I145 PolarHBondContact O-N 2.85Å; E142-E146 PolarHBondContact O-N 2.85Å
143	A	97.5	Very high	96.7	Very high	58 Å²	58	108.2 Å²	108.2	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-37.6	176.3	0	0	0	0	0	113.3	Q139 R147	Q139-A143 WeakPolarHBondContact O-CB 3.45Å; Q139-A143 PolarHBondContact O-N 3.44Å; A143-R147 WeakPolarHBondContact O-CB 3.48Å; A143-R147 PolarHBondContact O-N 3.17Å
144	E	97.7	Very high	96.9	Very high	80 Å²	80	108 Å²	108	37%	0.374	52%	0.522	S	S	.	.	H	α-helix	trans	-72	-36	176.6	-179.5	59.1	-168.4	0	0	112.1	K140 Q141 E142 R147 L148	K140-E144 WeakPolarHBondContact O-CB 3.4Å; K140-E144 PolarHBondContact O-N 2.96Å; K140-E144 VanDerWaalsContact O-N 3.11Å; Q141-E144 PolarHBondContact O-N 2.97Å; E142-E144 PolarHBondContact O-N 2.85Å; E144-R147 WeakPolarHBondContact O-CB 3.43Å; E144-R147 PolarHBondContact O-N 2.95Å; E144-R147 IonicContact OE1-CZ 3.69Å; E144-R147 IonicContact OE1-NE 3.34Å; E144-R147 PolarHBondContact OE1-NE 3.4Å; E144-R147 IonicContact OE1-NH2 3.5Å; E144-R147 PolarHBondContact OE1-NH2 3.03Å; E144-R147 IonicContact OE2-CZ 3.86Å; E144-R147 IonicContact OE2-NE 3.96Å; E144-R147 PolarHBondContact OE2-NE 3.42Å; E144-R147 IonicContact OE2-NH2 3.85Å; E144-L148 HydrophobicContact CG-CD1 4.06Å; E144-L148 WeakPolarHBondContact O-CB 3.27Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.41Å; E144-L148 PolarHBondContact O-N 2.7Å
145	I	97.1	Very high	97	Very high	93 Å²	93	107 Å²	107	48%	0.477	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-49.7	172.1	-70.4	163.7	0	0	0	110	Q141 E142 R147 L148 E149	Q141-I145 WeakPolarHBondContact O-CB 3.31Å; Q141-I145 WeakPolarHBondContact O-CD1 3.3Å; Q141-I145 VanDerWaalsContact O-CG1 3.25Å; Q141-I145 WeakPolarHBondContact O-CG1 3.39Å; Q141-I145 PolarHBondContact O-N 3.03Å; E142-I145 PolarHBondContact O-N 2.85Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 3.32Å; I145-L148 PolarHBondContact O-N 3.07Å; I145-E149 HydrophobicContact CG2-CG 4.27Å; I145-E149 WeakPolarHBondContact O-CB 3.42Å; I145-E149 WeakPolarHBondContact O-CG 3.32Å; I145-E149 PolarHBondContact O-N 3.33Å
146	E	97.8	Very high	97.2	Very high	138 Å²	138	110.5 Å²	110.5	65%	0.645	53%	0.528	S	S	*	.	H	α-helix	trans	-58.1	-41.6	177.3	-171.4	-173.5	177	0	0	111.7	E142 K150	E142-E146 PolarHBondContact O-N 2.85Å; E146-K150 WeakPolarHBondContact O-CB 3.38Å; E146-K150 PolarHBondContact O-N 2.78Å
147	R	97.9	Very high	97.3	Very high	115 Å²	115	110.5 Å²	110.5	43%	0.434	53%	0.529	S	S	.	.	H	α-helix	trans	-59.6	-49.7	175.6	-166.5	-166.8	70.9	68.3	3	111.5	A143 E144 I145 K150 E151	A143-R147 WeakPolarHBondContact O-CB 3.48Å; A143-R147 PolarHBondContact O-N 3.17Å; E144-R147 WeakPolarHBondContact O-CB 3.43Å; E144-R147 PolarHBondContact O-N 2.95Å; E144-R147 IonicContact OE1-CZ 3.69Å; E144-R147 IonicContact OE1-NE 3.34Å; E144-R147 PolarHBondContact OE1-NE 3.4Å; E144-R147 IonicContact OE1-NH2 3.5Å; E144-R147 PolarHBondContact OE1-NH2 3.03Å; E144-R147 IonicContact OE2-CZ 3.86Å; E144-R147 IonicContact OE2-NE 3.96Å; E144-R147 PolarHBondContact OE2-NE 3.42Å; E144-R147 IonicContact OE2-NH2 3.85Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 3.32Å; R147-K150 PolarHBondContact O-N 3.11Å; R147-E151 IonicContact CZ-OE2 3.79Å; R147-E151 IonicContact NH1-OE2 4Å; R147-E151 PolarHBondContact NH1-OE2 2.82Å; R147-E151 IonicContact NH2-OE2 2.8Å; R147-E151 WeakPolarHBondContact O-CB 3.29Å; R147-E151 PolarHBondContact O-N 3.3Å
148	L	97.9	Very high	97.4	Very high	76 Å²	76	112.2 Å²	112.2	40%	0.398	53%	0.532	S	S	.	.	H	α-helix	trans	-67.9	-37.4	-179.1	-73.7	169.5	0	0	0	112.8	E144 I145 E151 T152	E144-L148 HydrophobicContact CG-CD1 4.06Å; E144-L148 WeakPolarHBondContact O-CB 3.27Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.41Å; E144-L148 PolarHBondContact O-N 2.7Å; I145-L148 PolarHBondContact O-N 3.07Å; L148-E151 PolarHBondContact O-N 2.71Å; L148-T152 VanDerWaalsContact O-CB 3.25Å; L148-T152 WeakPolarHBondContact O-CB 3.25Å; L148-T152 PolarHBondContact O-N 2.98Å; L148-T152 PolarHBondContact O-OG1 3.19Å
149	E	97.3	Very high	97.5	Very high	132 Å²	132	110.8 Å²	110.8	62%	0.617	53%	0.531	S	S	*	.	H	α-helix	trans	-64.1	-43.7	174.6	-74.8	-175	166.7	0	0	111.4	I145 T152 K153	I145-E149 HydrophobicContact CG2-CG 4.27Å; I145-E149 WeakPolarHBondContact O-CB 3.42Å; I145-E149 WeakPolarHBondContact O-CG 3.32Å; I145-E149 PolarHBondContact O-N 3.33Å; E149-T152 PolarHBondContact O-N 3.46Å; E149-K153 VanDerWaalsContact O-CB 3.32Å; E149-K153 WeakPolarHBondContact O-CB 3.34Å; E149-K153 PolarHBondContact O-N 2.91Å
150	K	97.9	Very high	97.5	Very high	149 Å²	149	108.4 Å²	108.4	65%	0.648	53%	0.528	S	S	*	.	H	α-helix	trans	-64.2	-42.3	175.6	-173.2	177.4	-179	177.9	0	112.1	E146 R147 T154	E146-K150 WeakPolarHBondContact O-CB 3.38Å; E146-K150 PolarHBondContact O-N 2.78Å; R147-K150 PolarHBondContact O-N 3.11Å; K150-T154 WeakPolarHBondContact O-CB 3.34Å; K150-T154 PolarHBondContact O-N 3.25Å; K150-T154 PolarHBondContact O-OG1 3.06Å
151	E	97.4	Very high	97.5	Very high	100 Å²	100	106.8 Å²	106.8	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-45	175.2	-173.1	176.7	169.3	0	0	111.5	R147 L148 T154 T155	R147-E151 IonicContact CZ-OE2 3.79Å; R147-E151 IonicContact NH1-OE2 4Å; R147-E151 PolarHBondContact NH1-OE2 2.82Å; R147-E151 IonicContact NH2-OE2 2.8Å; R147-E151 WeakPolarHBondContact O-CB 3.29Å; R147-E151 PolarHBondContact O-N 3.3Å; L148-E151 PolarHBondContact O-N 2.71Å; E151-T154 PolarHBondContact O-N 3.3Å; E151-T155 WeakPolarHBondContact O-CB 3.48Å; E151-T155 PolarHBondContact O-N 2.95Å; E151-T155 PolarHBondContact O-OG1 3.34Å
152	T	97.3	Very high	97.5	Very high	92 Å²	92	106.2 Å²	106.2	56%	0.564	52%	0.519	S	S	*	.	H	α-helix	trans	-62.2	-45.9	177.3	-60.8	0	0	0	0	111.5	L148 E149 T155 R156	L148-T152 VanDerWaalsContact O-CB 3.25Å; L148-T152 WeakPolarHBondContact O-CB 3.25Å; L148-T152 PolarHBondContact O-N 2.98Å; L148-T152 PolarHBondContact O-OG1 3.19Å; E149-T152 PolarHBondContact O-N 3.46Å; T152-T155 PolarHBondContact O-N 2.98Å; T152-R156 VanDerWaalsContact O-CB 3.29Å; T152-R156 WeakPolarHBondContact O-CB 3.38Å; T152-R156 PolarHBondContact O-N 3.39Å
153	K	97.7	Very high	97.5	Very high	147 Å²	147	104.8 Å²	104.8	64%	0.639	51%	0.514	S	S	*	.	H	α-helix	trans	-61.6	-44.6	176.6	-175.8	176.9	-179.4	177.8	0	111.8	E149 R156 N157	E149-K153 VanDerWaalsContact O-CB 3.32Å; E149-K153 WeakPolarHBondContact O-CB 3.34Å; E149-K153 PolarHBondContact O-N 2.91Å; K153-R156 PolarHBondContact O-N 3.32Å; K153-N157 VanDerWaalsContact O-CG 3.29Å; K153-N157 PolarHBondContact O-N 3.29Å; K153-N157 PolarHBondContact O-OD1 3.47Å
154	T	97.5	Very high	97.5	Very high	87 Å²	87	108.6 Å²	108.6	53%	0.534	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-46.5	178.2	-55.3	0	0	0	0	111.1	K150 E151 R156 N157 H158	K150-T154 WeakPolarHBondContact O-CB 3.34Å; K150-T154 PolarHBondContact O-N 3.25Å; K150-T154 PolarHBondContact O-OG1 3.06Å; E151-T154 PolarHBondContact O-N 3.3Å; T154-R156 PolarHBondContact O-N 2.93Å; T154-N157 PolarHBondContact O-N 2.96Å; T154-H158 WeakPolarHBondContact O-CB 3.42Å; T154-H158 PolarHBondContact O-N 3.22Å
155	T	97.3	Very high	97.5	Very high	63 Å²	63	110.5 Å²	110.5	39%	0.387	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-43.6	177.6	-59.4	0	0	0	0	111.7	E151 T152 H158 Q159	E151-T155 WeakPolarHBondContact O-CB 3.48Å; E151-T155 PolarHBondContact O-N 2.95Å; E151-T155 PolarHBondContact O-OG1 3.34Å; T152-T155 PolarHBondContact O-N 2.98Å; T155-H158 PolarHBondContact O-N 3.38Å; T155-Q159 HydrophobicContact CG2-CG 4.44Å; T155-Q159 WeakPolarHBondContact O-CB 3.41Å; T155-Q159 VanDerWaalsContact O-CG 3.27Å; T155-Q159 WeakPolarHBondContact O-CG 3.5Å; T155-Q159 PolarHBondContact O-N 3.48Å
156	R	97.4	Very high	97.6	Very high	186 Å²	186	111.4 Å²	111.4	70%	0.702	54%	0.536	S	S	*	.	H	α-helix	trans	-63.5	-41.8	177.8	-174.5	174.9	-176.2	147.5	1.4	112.5	T152 K153 T154 Q159 S160	T152-R156 VanDerWaalsContact O-CB 3.29Å; T152-R156 WeakPolarHBondContact O-CB 3.38Å; T152-R156 PolarHBondContact O-N 3.39Å; K153-R156 PolarHBondContact O-N 3.32Å; T154-R156 PolarHBondContact O-N 2.93Å; R156-Q159 PolarHBondContact O-N 3.04Å; R156-S160 WeakPolarHBondContact O-CB 3.5Å; R156-S160 PolarHBondContact O-N 2.95Å
157	N	97.7	Very high	97.5	Very high	85 Å²	85	111.3 Å²	111.3	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-62.2	-49.8	175.4	-71.6	0.1	0	0	0	110.7	K153 T154 Q159 S160 E161	K153-N157 VanDerWaalsContact O-CG 3.29Å; K153-N157 PolarHBondContact O-N 3.29Å; K153-N157 PolarHBondContact O-OD1 3.47Å; T154-N157 PolarHBondContact O-N 2.96Å; N157-Q159 VanDerWaalsContact C-N 3.33Å; N157-Q159 PolarHBondContact O-N 3.48Å; N157-S160 WeakPolarHBondContact O-CB 3.41Å; N157-S160 PolarHBondContact O-N 3.01Å; N157-E161 WeakPolarHBondContact O-CG 3.39Å; N157-E161 PolarHBondContact O-N 3.22Å
158	H	97.6	Very high	97.5	Very high	113 Å²	113	109.3 Å²	109.3	52%	0.523	53%	0.53	S	S	.	.	H	α-helix	trans	-60.3	-39.5	178.5	-174.1	56.9	0	0	0	113.1	T154 T155 E161 K162	T154-H158 WeakPolarHBondContact O-CB 3.42Å; T154-H158 PolarHBondContact O-N 3.22Å; T155-H158 PolarHBondContact O-N 3.38Å; H158-E161 IonicContact CE1-OE2 3.62Å; H158-K162 WeakPolarHBondContact O-CB 3.48Å; H158-K162 WeakPolarHBondContact O-CG 3.43Å; H158-K162 PolarHBondContact O-N 2.96Å
159	Q	97.5	Very high	97.5	Very high	121 Å²	121	110.7 Å²	110.7	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-65.1	-40.7	173.1	-74.9	173.9	-4.1	0	0	112.1	T155 R156 N157 L163	T155-Q159 HydrophobicContact CG2-CG 4.44Å; T155-Q159 WeakPolarHBondContact O-CB 3.41Å; T155-Q159 VanDerWaalsContact O-CG 3.27Å; T155-Q159 WeakPolarHBondContact O-CG 3.5Å; T155-Q159 PolarHBondContact O-N 3.48Å; R156-Q159 PolarHBondContact O-N 3.04Å; N157-Q159 VanDerWaalsContact C-N 3.33Å; N157-Q159 PolarHBondContact O-N 3.48Å; Q159-L163 VanDerWaalsContact O-CB 3.3Å; Q159-L163 WeakPolarHBondContact O-CB 3.36Å; Q159-L163 PolarHBondContact O-N 3.26Å
160	S	97.1	Very high	97.5	Very high	73 Å²	73	107.6 Å²	107.6	51%	0.51	53%	0.529	S	S	.	.	H	α-helix	trans	-64.7	-44.7	177	-171.1	0	0	0	0	112	R156 N157 L163 Q164	R156-S160 WeakPolarHBondContact O-CB 3.5Å; R156-S160 PolarHBondContact O-N 2.95Å; N157-S160 WeakPolarHBondContact O-CB 3.41Å; N157-S160 PolarHBondContact O-N 3.01Å; S160-L163 PolarHBondContact O-N 3.01Å; S160-Q164 WeakPolarHBondContact O-CB 3.25Å; S160-Q164 PolarHBondContact O-N 3.47Å
161	E	97.3	Very high	97.5	Very high	100 Å²	100	105.7 Å²	105.7	47%	0.467	52%	0.521	S	S	.	.	H	α-helix	trans	-61.2	-48.8	175.8	-72.3	166.2	-160	0	0	111.4	N157 H158 L163 Q164 Q165	N157-E161 WeakPolarHBondContact O-CG 3.39Å; N157-E161 PolarHBondContact O-N 3.22Å; H158-E161 IonicContact CE1-OE2 3.62Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.47Å; E161-Q164 PolarHBondContact O-N 3.2Å; E161-Q164 VanDerWaalsContact O-N 3.17Å; E161-Q165 WeakPolarHBondContact O-CG 3.41Å; E161-Q165 PolarHBondContact O-N 3.03Å
162	K	97.6	Very high	97.6	Very high	102 Å²	102	105.6 Å²	105.6	44%	0.443	52%	0.521	S	S	.	.	H	α-helix	trans	-58	-42.9	174.4	-82.2	176.2	162.2	169	0	112.4	H158 Q164 Q165 L166	H158-K162 WeakPolarHBondContact O-CB 3.48Å; H158-K162 WeakPolarHBondContact O-CG 3.43Å; H158-K162 PolarHBondContact O-N 2.96Å; K162-Q164 VanDerWaalsContact C-N 3.33Å; K162-Q164 PolarHBondContact O-N 2.72Å; K162-Q165 PolarHBondContact O-N 3.44Å; K162-L166 WeakPolarHBondContact O-CB 3.37Å; K162-L166 VanDerWaalsContact O-CG 3.31Å; K162-L166 WeakPolarHBondContact O-CG 3.29Å; K162-L166 PolarHBondContact O-N 2.97Å
163	L	97.7	Very high	97.6	Very high	90 Å²	90	105.9 Å²	105.9	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-64.8	-37.7	177.4	-179.2	61.6	0	0	0	111.8	Q159 S160 E161 K167	Q159-L163 VanDerWaalsContact O-CB 3.3Å; Q159-L163 WeakPolarHBondContact O-CB 3.36Å; Q159-L163 PolarHBondContact O-N 3.26Å; S160-L163 PolarHBondContact O-N 3.01Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.47Å; L163-K167 HydrophobicContact CG-CD 4.36Å; L163-K167 WeakPolarHBondContact O-CB 3.35Å; L163-K167 VanDerWaalsContact O-CG 3.25Å; L163-K167 WeakPolarHBondContact O-CG 3.5Å; L163-K167 PolarHBondContact O-N 2.94Å
164	Q	97.4	Very high	97.6	Very high	139 Å²	139	106.2 Å²	106.2	65%	0.65	51%	0.511	S	S	*	.	H	α-helix	trans	-67.9	-43.2	175.7	-174.9	172.4	-7.6	0	0	111.8	S160 E161 K162 K167 E168	S160-Q164 WeakPolarHBondContact O-CB 3.25Å; S160-Q164 PolarHBondContact O-N 3.47Å; E161-Q164 PolarHBondContact O-N 3.2Å; E161-Q164 VanDerWaalsContact O-N 3.17Å; K162-Q164 VanDerWaalsContact C-N 3.33Å; K162-Q164 PolarHBondContact O-N 2.72Å; Q164-K167 PolarHBondContact O-N 2.93Å; Q164-E168 PolarHBondContact O-N 3.12Å
165	Q	97.7	Very high	97.6	Very high	120 Å²	120	106.2 Å²	106.2	56%	0.561	51%	0.507	S	S	*	.	H	α-helix	trans	-59	-48.9	173.8	-70.6	169.8	-0.1	0	0	111.4	E161 K162 K167 E168 I169	E161-Q165 WeakPolarHBondContact O-CG 3.41Å; E161-Q165 PolarHBondContact O-N 3.03Å; K162-Q165 PolarHBondContact O-N 3.44Å; Q165-K167 VanDerWaalsContact C-N 3.34Å; Q165-K167 PolarHBondContact O-N 2.99Å; Q165-E168 PolarHBondContact O-N 3.03Å; Q165-I169 VanDerWaalsContact O-CG1 3.3Å; Q165-I169 WeakPolarHBondContact O-CG1 3.49Å; Q165-I169 PolarHBondContact O-N 2.87Å
166	L	97.6	Very high	97.6	Very high	111 Å²	111	108 Å²	108	58%	0.581	51%	0.511	S	S	*	.	H	α-helix	trans	-61.8	-38.2	177.6	-72.8	171.1	0	0	0	112.8	K162 S170	K162-L166 WeakPolarHBondContact O-CB 3.37Å; K162-L166 VanDerWaalsContact O-CG 3.31Å; K162-L166 WeakPolarHBondContact O-CG 3.29Å; K162-L166 PolarHBondContact O-N 2.97Å; L166-S170 WeakPolarHBondContact O-CB 3.39Å; L166-S170 PolarHBondContact O-N 3.06Å
167	K	97.6	Very high	97.6	Very high	136 Å²	136	103.3 Å²	103.3	59%	0.591	50%	0.5	S	S	*	.	H	α-helix	trans	-63.3	-42.8	174.8	-79.4	172	178.5	179	0	112.2	L163 Q164 Q165 K171	L163-K167 HydrophobicContact CG-CD 4.36Å; L163-K167 WeakPolarHBondContact O-CB 3.35Å; L163-K167 VanDerWaalsContact O-CG 3.25Å; L163-K167 WeakPolarHBondContact O-CG 3.5Å; L163-K167 PolarHBondContact O-N 2.94Å; Q164-K167 PolarHBondContact O-N 2.93Å; Q165-K167 VanDerWaalsContact C-N 3.34Å; Q165-K167 PolarHBondContact O-N 2.99Å; K167-K171 WeakPolarHBondContact O-CB 3.35Å; K167-K171 PolarHBondContact O-N 3.32Å
168	E	97.5	Very high	97.6	Very high	74 Å²	74	105.3 Å²	105.3	35%	0.346	51%	0.506	S	S	.	.	H	α-helix	trans	-71.8	-42.3	179.5	-173.9	55.2	-151.9	0	0	111.5	Q164 Q165 S170 K171 Q172	Q164-E168 PolarHBondContact O-N 3.12Å; Q165-E168 PolarHBondContact O-N 3.03Å; E168-S170 VanDerWaalsContact C-N 3.33Å; E168-S170 PolarHBondContact O-N 3.29Å; E168-K171 PolarHBondContact O-N 3.07Å; E168-K171 IonicContact OE1-NZ 2.71Å; E168-K171 PolarHBondContact OE1-NZ 3.48Å; E168-K171 IonicContact OE2-NZ 3.43Å; E168-K171 PolarHBondContact OE2-NZ 3.48Å; E168-Q172 WeakPolarHBondContact O-CB 3.49Å; E168-Q172 WeakPolarHBondContact O-CG 3.44Å; E168-Q172 PolarHBondContact O-N 3.3Å; E168-Q172 PolarHBondContact OE1-NE2 3.32Å
169	I	98	Very high	97.6	Very high	104 Å²	104	105.9 Å²	105.9	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-57.3	-45.5	171.9	-67.5	164.8	0	0	0	110.8	Q165 K171 Q172 K173	Q165-I169 VanDerWaalsContact O-CG1 3.3Å; Q165-I169 WeakPolarHBondContact O-CG1 3.49Å; Q165-I169 PolarHBondContact O-N 2.87Å; I169-K171 PolarHBondContact O-N 3.45Å; I169-Q172 PolarHBondContact O-N 2.92Å; I169-K173 WeakPolarHBondContact O-CB 3.25Å; I169-K173 PolarHBondContact O-N 3.37Å
170	S	97.6	Very high	97.6	Very high	68 Å²	68	105 Å²	105	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-41.2	177.4	178.8	0	0	0	0	112.4	L166 E168 R174	L166-S170 WeakPolarHBondContact O-CB 3.39Å; L166-S170 PolarHBondContact O-N 3.06Å; E168-S170 VanDerWaalsContact C-N 3.33Å; E168-S170 PolarHBondContact O-N 3.29Å; S170-R174 WeakPolarHBondContact O-CB 3.5Å; S170-R174 PolarHBondContact O-N 2.99Å
171	K	97.7	Very high	97.6	Very high	108 Å²	108	104.3 Å²	104.3	47%	0.47	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-43.6	176.7	174.9	177.2	146.9	-129.7	0	112	K167 E168 I169 R174 L175	K167-K171 WeakPolarHBondContact O-CB 3.35Å; K167-K171 PolarHBondContact O-N 3.32Å; E168-K171 PolarHBondContact O-N 3.07Å; E168-K171 IonicContact OE1-NZ 2.71Å; E168-K171 PolarHBondContact OE1-NZ 3.48Å; E168-K171 IonicContact OE2-NZ 3.43Å; E168-K171 PolarHBondContact OE2-NZ 3.48Å; I169-K171 PolarHBondContact O-N 3.45Å; K171-R174 PolarHBondContact O-N 2.87Å; K171-L175 PolarHBondContact O-N 2.85Å; K171-L175 VanDerWaalsContact O-N 3.1Å
172	Q	97.8	Very high	97.6	Very high	99 Å²	99	105.7 Å²	105.7	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-48.2	175.4	-71.1	174.4	7.9	0	0	110.7	E168 I169 R174 L175 E176	E168-Q172 WeakPolarHBondContact O-CB 3.49Å; E168-Q172 WeakPolarHBondContact O-CG 3.44Å; E168-Q172 PolarHBondContact O-N 3.3Å; E168-Q172 PolarHBondContact OE1-NE2 3.32Å; I169-Q172 PolarHBondContact O-N 2.92Å; Q172-R174 VanDerWaalsContact C-N 3.32Å; Q172-R174 PolarHBondContact O-N 3.39Å; Q172-L175 WeakPolarHBondContact O-CB 3.38Å; Q172-L175 PolarHBondContact O-N 3.04Å; Q172-L175 VanDerWaalsContact O-N 3.09Å; Q172-E176 PolarHBondContact O-N 3.2Å
173	K	97.7	Very high	97.6	Very high	97 Å²	97	106.2 Å²	106.2	42%	0.422	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-36.7	179.5	-169.7	48.9	171.7	169.7	0	113	I169 E176 L177	I169-K173 WeakPolarHBondContact O-CB 3.25Å; I169-K173 PolarHBondContact O-N 3.37Å; K173-E176 HydrophobicContact CD-CB 4.38Å; K173-E176 WeakPolarHBondContact CD-OE2 3.49Å; K173-E176 IonicContact NZ-OE2 3.34Å; K173-E176 PolarHBondContact NZ-OE2 2.94Å; K173-E176 PolarHBondContact O-N 3.09Å; K173-L177 HydrophobicContact CD-CD1 4.45Å; K173-L177 HydrophobicContact CD-CG 4.32Å; K173-L177 HydrophobicContact CG-CD1 4.16Å; K173-L177 WeakPolarHBondContact O-CB 3.39Å; K173-L177 VanDerWaalsContact O-CG 3.29Å; K173-L177 WeakPolarHBondContact O-CG 3.42Å; K173-L177 PolarHBondContact O-N 3.36Å
174	R	97.8	Very high	97.6	Very high	154 Å²	154	106.4 Å²	106.4	58%	0.581	51%	0.513	S	S	*	.	H	α-helix	trans	-62	-43.9	172.6	-174.3	175.6	66	-126.7	0.8	111.7	S170 K171 Q172 L177 E178	S170-R174 WeakPolarHBondContact O-CB 3.5Å; S170-R174 PolarHBondContact O-N 2.99Å; K171-R174 PolarHBondContact O-N 2.87Å; Q172-R174 VanDerWaalsContact C-N 3.32Å; Q172-R174 PolarHBondContact O-N 3.39Å; R174-L177 PolarHBondContact O-N 3.28Å; R174-E178 WeakPolarHBondContact O-CB 3.33Å; R174-E178 PolarHBondContact O-N 3.16Å
175	L	97.8	Very high	97.6	Very high	87 Å²	87	105 Å²	105	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-67	-35.5	178.6	-176.7	65.8	0	0	0	112.6	K171 Q172 K179	K171-L175 PolarHBondContact O-N 2.85Å; K171-L175 VanDerWaalsContact O-N 3.1Å; Q172-L175 WeakPolarHBondContact O-CB 3.38Å; Q172-L175 PolarHBondContact O-N 3.04Å; Q172-L175 VanDerWaalsContact O-N 3.09Å; L175-K179 VanDerWaalsContact O-CG 3.27Å; L175-K179 WeakPolarHBondContact O-CG 3.37Å; L175-K179 PolarHBondContact O-N 2.97Å; L175-K179 VanDerWaalsContact O-N 3.14Å
176	E	97.8	Very high	97.6	Very high	100 Å²	100	103.4 Å²	103.4	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-52.4	170.9	-72.5	172.9	-171	0	0	111.4	Q172 K173 E178 K179 E180	Q172-E176 PolarHBondContact O-N 3.2Å; K173-E176 HydrophobicContact CD-CB 4.38Å; K173-E176 WeakPolarHBondContact CD-OE2 3.49Å; K173-E176 IonicContact NZ-OE2 3.34Å; K173-E176 PolarHBondContact NZ-OE2 2.94Å; K173-E176 PolarHBondContact O-N 3.09Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 3.47Å; E176-K179 WeakPolarHBondContact O-CB 3.43Å; E176-K179 PolarHBondContact O-N 3.49Å; E176-E180 WeakPolarHBondContact O-CB 3.33Å; E176-E180 PolarHBondContact O-N 3.35Å
177	L	97.8	Very high	97.6	Very high	88 Å²	88	102.4 Å²	102.4	46%	0.461	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-35.9	-178.9	-70.1	169.9	0	0	0	112.1	K173 R174 E180 A181	K173-L177 HydrophobicContact CD-CD1 4.45Å; K173-L177 HydrophobicContact CD-CG 4.32Å; K173-L177 HydrophobicContact CG-CD1 4.16Å; K173-L177 WeakPolarHBondContact O-CB 3.39Å; K173-L177 VanDerWaalsContact O-CG 3.29Å; K173-L177 WeakPolarHBondContact O-CG 3.42Å; K173-L177 PolarHBondContact O-N 3.36Å; R174-L177 PolarHBondContact O-N 3.28Å; L177-E180 PolarHBondContact O-N 2.98Å; L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.14Å
178	E	97.6	Very high	97.6	Very high	127 Å²	127	100.2 Å²	100.2	59%	0.593	50%	0.498	S	S	*	.	H	α-helix	trans	-65.2	-41.8	174.6	-174.1	178.5	178	0	0	111.9	R174 E176 K182	R174-E178 WeakPolarHBondContact O-CB 3.33Å; R174-E178 PolarHBondContact O-N 3.16Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 3.47Å; E178-K182 WeakPolarHBondContact O-CB 3.44Å; E178-K182 PolarHBondContact O-N 2.93Å
179	K	97.7	Very high	97.5	Very high	125 Å²	125	99 Å²	99	54%	0.543	50%	0.496	S	S	.	.	H	α-helix	trans	-65.7	-44.8	174.1	-73.1	169.4	179.7	177.7	0	111.9	L175 E176 K182 I183	L175-K179 VanDerWaalsContact O-CG 3.27Å; L175-K179 WeakPolarHBondContact O-CG 3.37Å; L175-K179 PolarHBondContact O-N 2.97Å; L175-K179 VanDerWaalsContact O-N 3.14Å; E176-K179 WeakPolarHBondContact O-CB 3.43Å; E176-K179 PolarHBondContact O-N 3.49Å; K179-K182 PolarHBondContact O-N 2.8Å; K179-I183 VanDerWaalsContact O-CG1 3.3Å; K179-I183 WeakPolarHBondContact O-CG1 3.5Å; K179-I183 PolarHBondContact O-N 3Å
180	E	97.5	Very high	97.5	Very high	104 Å²	104	97.8 Å²	97.8	49%	0.486	49%	0.487	S	S	.	.	H	α-helix	trans	-61.5	-49.6	177.9	-175.2	178.3	180	0	0	111	E176 L177 K182 I183 I184	E176-E180 WeakPolarHBondContact O-CB 3.33Å; E176-E180 PolarHBondContact O-N 3.35Å; L177-E180 PolarHBondContact O-N 2.98Å; E180-K182 VanDerWaalsContact C-N 3.29Å; E180-K182 PolarHBondContact O-N 3.06Å; E180-I183 PolarHBondContact O-N 3.49Å; E180-I184 HydrophobicContact CG-CD1 4.06Å; E180-I184 WeakPolarHBondContact O-CG1 3.3Å; E180-I184 PolarHBondContact O-N 3.35Å
181	A	96.7	Very high	97.4	Very high	57 Å²	57	97.9 Å²	97.9	47%	0.471	48%	0.483	S	S	.	.	H	α-helix	trans	-59.1	-39.5	175.9	0	0	0	0	0	112.1	L177 I184 L185	L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.14Å; A181-I184 PolarHBondContact O-N 3.09Å; A181-L185 VanDerWaalsContact O-CB 3.31Å; A181-L185 WeakPolarHBondContact O-CB 3.41Å; A181-L185 PolarHBondContact O-N 3.32Å
182	K	97.8	Very high	97.4	Very high	130 Å²	130	95.9 Å²	95.9	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-64.6	-45.9	174.8	-175.1	176.3	178.9	-179	0	112.3	E178 K179 E180 I184 L185 D186	E178-K182 WeakPolarHBondContact O-CB 3.44Å; E178-K182 PolarHBondContact O-N 2.93Å; K179-K182 PolarHBondContact O-N 2.8Å; E180-K182 VanDerWaalsContact C-N 3.29Å; E180-K182 PolarHBondContact O-N 3.06Å; K182-I184 VanDerWaalsContact C-N 3.31Å; K182-I184 PolarHBondContact O-N 3Å; K182-L185 PolarHBondContact O-N 2.91Å; K182-D186 WeakPolarHBondContact O-CB 2.77Å; K182-D186 PolarHBondContact O-N 2.84Å
183	I	97.6	Very high	97.3	Very high	113 Å²	113	98.3 Å²	98.3	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-60.2	-42.3	177.1	-69.3	163.2	0	0	0	110.9	K179 E180 N187	K179-I183 VanDerWaalsContact O-CG1 3.3Å; K179-I183 WeakPolarHBondContact O-CG1 3.5Å; K179-I183 PolarHBondContact O-N 3Å; E180-I183 PolarHBondContact O-N 3.49Å; I183-N187 VanDerWaalsContact O-CB 3.24Å; I183-N187 WeakPolarHBondContact O-CB 3.45Å; I183-N187 PolarHBondContact O-N 3.02Å
184	I	97.4	Very high	97.3	Very high	94 Å²	94	99.2 Å²	99.2	48%	0.482	49%	0.491	S	S	.	.	H	α-helix	trans	-62.9	-47.1	175.6	-67.3	166.3	0	0	0	110.5	E180 A181 K182 N187 V188	E180-I184 HydrophobicContact CG-CD1 4.06Å; E180-I184 WeakPolarHBondContact O-CG1 3.3Å; E180-I184 PolarHBondContact O-N 3.35Å; A181-I184 PolarHBondContact O-N 3.09Å; K182-I184 VanDerWaalsContact C-N 3.31Å; K182-I184 PolarHBondContact O-N 3Å; I184-N187 PolarHBondContact O-N 2.91Å; I184-V188 HydrophobicContact CG2-CG2 4.32Å; I184-V188 WeakPolarHBondContact O-CB 3.2Å; I184-V188 VanDerWaalsContact O-CG2 3.29Å; I184-V188 WeakPolarHBondContact O-CG2 3.36Å; I184-V188 PolarHBondContact O-N 2.87Å
185	L	97.1	Very high	97.2	Very high	108 Å²	108	97.5 Å²	97.5	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-62.1	-45.2	179.4	179.6	62.6	0	0	0	112.3	A181 K182 V188 T189	A181-L185 VanDerWaalsContact O-CB 3.31Å; A181-L185 WeakPolarHBondContact O-CB 3.41Å; A181-L185 PolarHBondContact O-N 3.32Å; K182-L185 PolarHBondContact O-N 2.91Å; L185-V188 PolarHBondContact O-N 3.48Å; L185-T189 VanDerWaalsContact O-CB 3.24Å; L185-T189 WeakPolarHBondContact O-CB 3.36Å; L185-T189 PolarHBondContact O-N 3.43Å; L185-T189 PolarHBondContact O-OG1 2.98Å
186	D	97.4	Very high	97.1	Very high	87 Å²	87	96 Å²	96	47%	0.465	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-42.3	178.3	-71.7	-22.8	0	0	0	110.6	K182 T189 E190	K182-D186 WeakPolarHBondContact O-CB 2.77Å; K182-D186 PolarHBondContact O-N 2.84Å; D186-T189 PolarHBondContact O-N 2.94Å; D186-E190 WeakPolarHBondContact O-CB 3.36Å; D186-E190 PolarHBondContact O-N 3.36Å
187	N	97.3	Very high	97	Very high	91 Å²	91	96 Å²	96	49%	0.487	49%	0.493	S	S	.	.	H	α-helix	trans	-66.6	-45.8	177.2	-170.1	-9.1	0	0	0	112.3	I183 I184 T189 E190 N191	I183-N187 VanDerWaalsContact O-CB 3.24Å; I183-N187 WeakPolarHBondContact O-CB 3.45Å; I183-N187 PolarHBondContact O-N 3.02Å; I184-N187 PolarHBondContact O-N 2.91Å; N187-T189 VanDerWaalsContact C-N 3.33Å; N187-T189 PolarHBondContact O-N 3.07Å; N187-E190 PolarHBondContact O-N 2.89Å; N187-N191 WeakPolarHBondContact O-CB 3.47Å; N187-N191 VanDerWaalsContact O-CG 3.28Å; N187-N191 PolarHBondContact O-N 3.49Å; N187-N191 PolarHBondContact O-ND2 3.45Å; N187-N191 PolarHBondContact OD1-ND2 3.39Å
188	V	97.2	Very high	97	Very high	89 Å²	89	98 Å²	98	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-42.3	174.6	169.4	0	0	0	0	111	I184 L185 S192	I184-V188 HydrophobicContact CG2-CG2 4.32Å; I184-V188 WeakPolarHBondContact O-CB 3.2Å; I184-V188 VanDerWaalsContact O-CG2 3.29Å; I184-V188 WeakPolarHBondContact O-CG2 3.36Å; I184-V188 PolarHBondContact O-N 2.87Å; L185-V188 PolarHBondContact O-N 3.48Å; V188-S192 VanDerWaalsContact O-CB 3.22Å; V188-S192 WeakPolarHBondContact O-CB 3.21Å; V188-S192 PolarHBondContact O-N 3.46Å
189	T	96.7	Very high	97	Very high	49 Å²	49	97.4 Å²	97.4	30%	0.301	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-45.6	177.5	-60.5	0	0	0	0	111.3	L185 D186 N187 S192 R193	L185-T189 VanDerWaalsContact O-CB 3.24Å; L185-T189 WeakPolarHBondContact O-CB 3.36Å; L185-T189 PolarHBondContact O-N 3.43Å; L185-T189 PolarHBondContact O-OG1 2.98Å; D186-T189 PolarHBondContact O-N 2.94Å; N187-T189 VanDerWaalsContact C-N 3.33Å; N187-T189 PolarHBondContact O-N 3.07Å; T189-S192 PolarHBondContact O-N 3.39Å; T189-R193 VanDerWaalsContact O-CG 3.32Å; T189-R193 WeakPolarHBondContact O-CG 3.42Å; T189-R193 PolarHBondContact O-N 2.89Å
190	E	97	Very high	96.9	Very high	78 Å²	78	96.2 Å²	96.2	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-68.8	-40.5	-180	178.9	56.8	-164.3	0	0	112.6	D186 N187 R193 K194	D186-E190 WeakPolarHBondContact O-CB 3.36Å; D186-E190 PolarHBondContact O-N 3.36Å; N187-E190 PolarHBondContact O-N 2.89Å; E190-R193 PolarHBondContact O-N 2.86Å; E190-K194 HydrophobicContact CG-CD 4.41Å; E190-K194 WeakPolarHBondContact O-CG 3.46Å; E190-K194 PolarHBondContact O-N 3.47Å; E190-K194 WeakPolarHBondContact OE1-CE 3.36Å; E190-K194 IonicContact OE1-NZ 3.7Å; E190-K194 PolarHBondContact OE1-NZ 3.48Å; E190-K194 VanDerWaalsContact OE1-NZ 3.15Å
191	N	96.9	Very high	96.9	Very high	71 Å²	71	95.1 Å²	95.1	38%	0.38	50%	0.497	S	S	.	.	H	α-helix	trans	-65.4	-40.5	174	-68.9	-29.3	0	0	0	111.7	N187 K194 I195	N187-N191 WeakPolarHBondContact O-CB 3.47Å; N187-N191 VanDerWaalsContact O-CG 3.28Å; N187-N191 PolarHBondContact O-N 3.49Å; N187-N191 PolarHBondContact O-ND2 3.45Å; N187-N191 PolarHBondContact OD1-ND2 3.39Å; N191-K194 PolarHBondContact O-N 2.95Å; N191-I195 VanDerWaalsContact O-CG1 3.29Å; N191-I195 WeakPolarHBondContact O-CG1 3.27Å; N191-I195 PolarHBondContact O-N 3.46Å
192	S	96.3	Very high	96.9	Very high	66 Å²	66	97.2 Å²	97.2	46%	0.462	50%	0.497	S	S	.	.	H	α-helix	trans	-60.1	-44.9	174.2	-179	0	0	0	0	111.8	V188 T189 I195 S196	V188-S192 VanDerWaalsContact O-CB 3.22Å; V188-S192 WeakPolarHBondContact O-CB 3.21Å; V188-S192 PolarHBondContact O-N 3.46Å; T189-S192 PolarHBondContact O-N 3.39Å; S192-I195 PolarHBondContact O-N 3.33Å; S192-S196 WeakPolarHBondContact O-CB 3.43Å; S192-S196 PolarHBondContact O-N 2.93Å; S192-S196 PolarHBondContact O-OG 3.29Å
193	R	96.4	Very high	96.9	Very high	149 Å²	149	96.7 Å²	96.7	56%	0.562	50%	0.496	S	S	*	.	H	α-helix	trans	-60.2	-46	173.6	-74.1	172.1	-178.3	177.8	1.5	112.2	T189 E190 S196 N197	T189-R193 VanDerWaalsContact O-CG 3.32Å; T189-R193 WeakPolarHBondContact O-CG 3.42Å; T189-R193 PolarHBondContact O-N 2.89Å; E190-R193 PolarHBondContact O-N 2.86Å; R193-S196 PolarHBondContact O-N 2.95Å; R193-N197 WeakPolarHBondContact O-CB 3.3Å; R193-N197 VanDerWaalsContact O-CG 3.24Å; R193-N197 PolarHBondContact O-N 2.85Å
194	K	96.6	Very high	96.9	Very high	116 Å²	116	94.7 Å²	94.7	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-60.4	-46	177.1	-77.9	168.9	173.8	148.3	0	112.5	E190 N191 K198	E190-K194 HydrophobicContact CG-CD 4.41Å; E190-K194 WeakPolarHBondContact O-CG 3.46Å; E190-K194 PolarHBondContact O-N 3.47Å; E190-K194 WeakPolarHBondContact OE1-CE 3.36Å; E190-K194 IonicContact OE1-NZ 3.7Å; E190-K194 PolarHBondContact OE1-NZ 3.48Å; E190-K194 VanDerWaalsContact OE1-NZ 3.15Å; N191-K194 PolarHBondContact O-N 2.95Å; K194-K198 WeakPolarHBondContact O-CB 3.42Å; K194-K198 PolarHBondContact O-N 3.44Å
195	I	96.2	Very high	96.9	Very high	119 Å²	119	94.3 Å²	94.3	61%	0.61	49%	0.488	S	S	*	.	H	α-helix	trans	-64.1	-45.3	177.7	-67.9	165.2	0	0	0	110.4	N191 S192 K198 L199	N191-I195 VanDerWaalsContact O-CG1 3.29Å; N191-I195 WeakPolarHBondContact O-CG1 3.27Å; N191-I195 PolarHBondContact O-N 3.46Å; S192-I195 PolarHBondContact O-N 3.33Å; I195-K198 PolarHBondContact O-N 3.41Å; I195-L199 WeakPolarHBondContact O-CB 3.35Å; I195-L199 PolarHBondContact O-N 3.16Å
196	S	96	Very high	96.9	Very high	54 Å²	54	94 Å²	94	38%	0.378	48%	0.482	S	S	.	.	H	α-helix	trans	-62.2	-47.1	178.1	-57.9	0	0	0	0	111.8	S192 R193 K198 L199 I200	S192-S196 WeakPolarHBondContact O-CB 3.43Å; S192-S196 PolarHBondContact O-N 2.93Å; S192-S196 PolarHBondContact O-OG 3.29Å; R193-S196 PolarHBondContact O-N 2.95Å; S196-K198 PolarHBondContact O-N 2.97Å; S196-L199 PolarHBondContact O-N 2.97Å; S196-I200 WeakPolarHBondContact O-CD1 3.49Å; S196-I200 VanDerWaalsContact O-CG1 3.25Å; S196-I200 WeakPolarHBondContact O-CG1 3.29Å; S196-I200 PolarHBondContact O-N 3.05Å
197	N	96.7	Very high	96.9	Very high	102 Å²	102	93.1 Å²	93.1	55%	0.545	48%	0.476	S	S	.	.	H	α-helix	trans	-62.6	-41.7	177.1	-73	-10.7	0	0	0	111.8	R193 I200 V201	R193-N197 WeakPolarHBondContact O-CB 3.3Å; R193-N197 VanDerWaalsContact O-CG 3.24Å; R193-N197 PolarHBondContact O-N 2.85Å; N197-I200 PolarHBondContact O-N 3.4Å; N197-V201 WeakPolarHBondContact O-CG2 3.22Å; N197-V201 PolarHBondContact O-N 3.24Å
198	K	96.9	Very high	96.9	Very high	129 Å²	129	91.6 Å²	91.6	56%	0.561	47%	0.472	S	S	*	.	H	α-helix	trans	-60.5	-47.6	175	179.9	179.1	168.8	-178.2	0	111.2	K194 I195 S196 I200 V201 E202	K194-K198 WeakPolarHBondContact O-CB 3.42Å; K194-K198 PolarHBondContact O-N 3.44Å; I195-K198 PolarHBondContact O-N 3.41Å; S196-K198 PolarHBondContact O-N 2.97Å; K198-I200 VanDerWaalsContact C-N 3.34Å; K198-I200 PolarHBondContact O-N 2.88Å; K198-V201 PolarHBondContact O-N 2.94Å; K198-E202 WeakPolarHBondContact CE-OE1 3.35Å; K198-E202 HydrophobicContact CG-CG 4.42Å; K198-E202 IonicContact NZ-OE1 2.78Å; K198-E202 WeakPolarHBondContact O-CB 3.46Å; K198-E202 WeakPolarHBondContact O-CG 3.37Å; K198-E202 PolarHBondContact O-N 3.38Å
199	L	96.5	Very high	96.8	Very high	114 Å²	114	94 Å²	94	60%	0.597	47%	0.471	S	S	*	.	H	α-helix	trans	-61.6	-40.9	178.6	-178.2	63.2	0	0	0	111.9	I195 S196 E202 H203	I195-L199 WeakPolarHBondContact O-CB 3.35Å; I195-L199 PolarHBondContact O-N 3.16Å; S196-L199 PolarHBondContact O-N 2.97Å; L199-E202 PolarHBondContact O-N 3Å; L199-H203 VanDerWaalsContact O-CB 3.28Å; L199-H203 WeakPolarHBondContact O-CB 3.23Å; L199-H203 PolarHBondContact O-N 2.98Å
200	I	96.7	Very high	96.9	Very high	101 Å²	101	95.7 Å²	95.7	52%	0.518	48%	0.476	S	S	.	.	H	α-helix	trans	-61.4	-48	174.4	-69.5	162.6	0	0	0	110.6	S196 N197 K198 H203 V204	S196-I200 WeakPolarHBondContact O-CD1 3.49Å; S196-I200 VanDerWaalsContact O-CG1 3.25Å; S196-I200 WeakPolarHBondContact O-CG1 3.29Å; S196-I200 PolarHBondContact O-N 3.05Å; N197-I200 PolarHBondContact O-N 3.4Å; K198-I200 VanDerWaalsContact C-N 3.34Å; K198-I200 PolarHBondContact O-N 2.88Å; I200-H203 PolarHBondContact O-N 2.73Å; I200-V204 HydrophobicContact CG2-CG2 4.43Å; I200-V204 WeakPolarHBondContact O-CG2 3.41Å; I200-V204 PolarHBondContact O-N 2.94Å
201	V	97	Very high	96.9	Very high	81 Å²	81	95.6 Å²	95.6	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-64.2	-42.4	178.9	170.2	0	0	0	0	111.8	N197 K198 H203 V204 N205	N197-V201 WeakPolarHBondContact O-CG2 3.22Å; N197-V201 PolarHBondContact O-N 3.24Å; K198-V201 PolarHBondContact O-N 2.94Å; V201-H203 VanDerWaalsContact C-N 3.33Å; V201-H203 PolarHBondContact O-N 2.7Å; V201-V204 PolarHBondContact O-N 2.94Å; V201-N205 VanDerWaalsContact O-CB 3.27Å; V201-N205 WeakPolarHBondContact O-CB 3.13Å; V201-N205 PolarHBondContact O-N 2.84Å; V201-N205 PolarHBondContact O-ND2 3.29Å
202	E	97	Very high	96.9	Very high	101 Å²	101	97.2 Å²	97.2	47%	0.472	48%	0.483	S	S	.	.	H	α-helix	trans	-62.3	-39.9	175.1	-74.9	177.4	166.1	0	0	111.9	K198 L199 K206	K198-E202 WeakPolarHBondContact CE-OE1 3.35Å; K198-E202 HydrophobicContact CG-CG 4.42Å; K198-E202 IonicContact NZ-OE1 2.78Å; K198-E202 WeakPolarHBondContact O-CB 3.46Å; K198-E202 WeakPolarHBondContact O-CG 3.37Å; K198-E202 PolarHBondContact O-N 3.38Å; L199-E202 PolarHBondContact O-N 3Å; E202-K206 WeakPolarHBondContact O-CB 3.46Å; E202-K206 PolarHBondContact O-N 3.44Å
203	H	97.2	Very high	96.9	Very high	118 Å²	118	100 Å²	100	55%	0.546	49%	0.489	S	S	.	.	H	α-helix	trans	-68.3	-45.1	177	-169.2	59.4	0	0	0	112.3	L199 I200 V201 K206 I207	L199-H203 VanDerWaalsContact O-CB 3.28Å; L199-H203 WeakPolarHBondContact O-CB 3.23Å; L199-H203 PolarHBondContact O-N 2.98Å; I200-H203 PolarHBondContact O-N 2.73Å; V201-H203 VanDerWaalsContact C-N 3.33Å; V201-H203 PolarHBondContact O-N 2.7Å; H203-K206 WeakPolarHBondContact O-CB 3.24Å; H203-K206 PolarHBondContact O-N 3.05Å; H203-I207 WeakPolarHBondContact O-CG1 3.3Å; H203-I207 PolarHBondContact O-N 3.27Å
204	V	97.5	Very high	96.9	Very high	72 Å²	72	97.5 Å²	97.5	44%	0.436	49%	0.486	S	S	.	.	H	α-helix	trans	-60.3	-47.3	174	170.2	0	0	0	0	110.7	I200 V201 K206 I207 C208	I200-V204 HydrophobicContact CG2-CG2 4.43Å; I200-V204 WeakPolarHBondContact O-CG2 3.41Å; I200-V204 PolarHBondContact O-N 2.94Å; V201-V204 PolarHBondContact O-N 2.94Å; V204-K206 PolarHBondContact O-N 3.45Å; V204-I207 PolarHBondContact O-N 3.48Å; V204-I207 VanDerWaalsContact O-N 3.15Å; V204-C208 PolarHBondContact O-N 3.19Å; V204-C208 PolarHBondContact O-SG 3.07Å; V204-C208 VanDerWaalsContact O-SG 3.33Å
205	N	97.5	Very high	96.9	Very high	85 Å²	85	100 Å²	100	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-65.4	-24.4	177.5	-72.2	-17.8	0	0	0	113.4	V201 R209	V201-N205 VanDerWaalsContact O-CB 3.27Å; V201-N205 WeakPolarHBondContact O-CB 3.13Å; V201-N205 PolarHBondContact O-N 2.84Å; V201-N205 PolarHBondContact O-ND2 3.29Å; N205-R209 WeakPolarHBondContact O-CG 3.27Å; N205-R209 PolarHBondContact O-N 3.23Å; N205-R209 PolarHBondContact O-NE 3.16Å
206	K	97.6	Very high	97	Very high	103 Å²	103	100 Å²	100	45%	0.448	49%	0.489	S	S	.	.	H	α-helix	trans	-71.5	-51.7	170	-179.5	-178.3	165.2	-179.8	0	110.2	E202 H203 V204 C208 R209 E210	E202-K206 WeakPolarHBondContact O-CB 3.46Å; E202-K206 PolarHBondContact O-N 3.44Å; H203-K206 WeakPolarHBondContact O-CB 3.24Å; H203-K206 PolarHBondContact O-N 3.05Å; V204-K206 PolarHBondContact O-N 3.45Å; K206-C208 VanDerWaalsContact C-N 3.31Å; K206-C208 PolarHBondContact O-N 3.22Å; K206-R209 PolarHBondContact O-N 2.94Å; K206-R209 VanDerWaalsContact O-N 3.14Å; K206-E210 VanDerWaalsContact CE-CD 3.45Å; K206-E210 WeakPolarHBondContact CE-OE1 3.48Å; K206-E210 HydrophobicContact CG-CG 4.47Å; K206-E210 IonicContact NZ-OE1 3.67Å; K206-E210 PolarHBondContact NZ-OE1 2.98Å; K206-E210 WeakPolarHBondContact O-CG 3.41Å; K206-E210 PolarHBondContact O-N 2.98Å
207	I	97.3	Very high	97	Very high	68 Å²	68	101.6 Å²	101.6	35%	0.349	49%	0.493	S	S	.	.	H	α-helix	trans	-58.3	-41.6	178.4	-67.8	165.2	0	0	0	111.5	H203 V204 R209 E210 N211	H203-I207 WeakPolarHBondContact O-CG1 3.3Å; H203-I207 PolarHBondContact O-N 3.27Å; V204-I207 PolarHBondContact O-N 3.48Å; V204-I207 VanDerWaalsContact O-N 3.15Å; I207-R209 PolarHBondContact O-N 3.39Å; I207-E210 PolarHBondContact O-N 2.82Å; I207-N211 WeakPolarHBondContact O-CB 3.36Å; I207-N211 VanDerWaalsContact O-CG 3.24Å; I207-N211 PolarHBondContact O-N 3.14Å; I207-N211 PolarHBondContact O-ND2 3.14Å
208	C	96.9	Very high	97	Very high	58 Å²	58	102 Å²	102	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-60.1	-43.8	176.6	-70.1	0	0	0	0	112.4	V204 K206 N211 E212	V204-C208 PolarHBondContact O-N 3.19Å; V204-C208 PolarHBondContact O-SG 3.07Å; V204-C208 VanDerWaalsContact O-SG 3.33Å; K206-C208 VanDerWaalsContact C-N 3.31Å; K206-C208 PolarHBondContact O-N 3.22Å; C208-N211 PolarHBondContact O-N 3.18Å; C208-E212 WeakPolarHBondContact O-CG 3.21Å; C208-E212 PolarHBondContact O-N 3.4Å
209	R	97	Very high	97	Very high	140 Å²	140	100.2 Å²	100.2	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-67.7	-44.1	177.3	-75.8	177.1	-70.6	146.6	-3.9	112.5	N205 K206 I207 N211 E212 E213	N205-R209 WeakPolarHBondContact O-CG 3.27Å; N205-R209 PolarHBondContact O-N 3.23Å; N205-R209 PolarHBondContact O-NE 3.16Å; K206-R209 PolarHBondContact O-N 2.94Å; K206-R209 VanDerWaalsContact O-N 3.14Å; I207-R209 PolarHBondContact O-N 3.39Å; R209-N211 VanDerWaalsContact C-N 3.27Å; R209-N211 PolarHBondContact O-N 3.09Å; R209-E212 PolarHBondContact O-N 3.11Å; R209-E212 VanDerWaalsContact O-N 3.16Å; R209-E213 WeakPolarHBondContact O-CG 3.45Å; R209-E213 PolarHBondContact O-N 3.15Å
210	E	96.9	Very high	97	Very high	84 Å²	84	99.2 Å²	99.2	39%	0.393	49%	0.486	S	S	.	.	H	α-helix	trans	-58.7	-41.2	175	-70.7	174.2	156.4	0	0	110.7	K206 I207 L214	K206-E210 VanDerWaalsContact CE-CD 3.45Å; K206-E210 WeakPolarHBondContact CE-OE1 3.48Å; K206-E210 HydrophobicContact CG-CG 4.47Å; K206-E210 IonicContact NZ-OE1 3.67Å; K206-E210 PolarHBondContact NZ-OE1 2.98Å; K206-E210 WeakPolarHBondContact O-CG 3.41Å; K206-E210 PolarHBondContact O-N 2.98Å; I207-E210 PolarHBondContact O-N 2.82Å; E210-L214 WeakPolarHBondContact O-CB 3.43Å; E210-L214 WeakPolarHBondContact O-CG 3.48Å; E210-L214 PolarHBondContact O-N 3.1Å
211	N	97.2	Very high	97	Very high	76 Å²	76	100.5 Å²	100.5	41%	0.406	49%	0.488	S	S	.	.	H	α-helix	trans	-65.8	-42.6	173.8	-72.8	-22.3	0	0	0	112.9	I207 C208 R209 L214 Y215	I207-N211 WeakPolarHBondContact O-CB 3.36Å; I207-N211 VanDerWaalsContact O-CG 3.24Å; I207-N211 PolarHBondContact O-N 3.14Å; I207-N211 PolarHBondContact O-ND2 3.14Å; C208-N211 PolarHBondContact O-N 3.18Å; R209-N211 VanDerWaalsContact C-N 3.27Å; R209-N211 PolarHBondContact O-N 3.09Å; N211-L214 PolarHBondContact O-N 3.18Å; N211-Y215 HydrophobicContact CB-CE2 4.44Å; N211-Y215 WeakPolarHBondContact O-CD2 3.44Å; N211-Y215 PolarHBondContact O-N 2.89Å
212	E	96.9	Very high	97	Very high	106 Å²	106	98.9 Å²	98.9	50%	0.495	48%	0.48	S	S	.	.	H	α-helix	trans	-62.6	-39.8	176.2	-78	176.4	-153.7	0	0	112.9	C208 R209 Y215 K216	C208-E212 WeakPolarHBondContact O-CG 3.21Å; C208-E212 PolarHBondContact O-N 3.4Å; R209-E212 PolarHBondContact O-N 3.11Å; R209-E212 VanDerWaalsContact O-N 3.16Å; E212-Y215 PolarHBondContact O-N 3.13Å; E212-K216 WeakPolarHBondContact O-CG 3.25Å; E212-K216 PolarHBondContact O-N 2.59Å; E212-K216 VanDerWaalsContact O-N 3.09Å
213	E	96.8	Very high	97	Very high	123 Å²	123	99.1 Å²	99.1	58%	0.575	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-47.2	174.4	-72.9	171	-172.2	0	0	110.5	R209 Y215 K216 D217	R209-E213 WeakPolarHBondContact O-CG 3.45Å; R209-E213 PolarHBondContact O-N 3.15Å; E213-Y215 PolarHBondContact O-N 3.42Å; E213-K216 PolarHBondContact O-N 3.36Å; E213-D217 PolarHBondContact O-N 2.82Å
214	L	97.1	Very high	96.9	Very high	98 Å²	98	98.6 Å²	98.6	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-59.8	-40.6	174.5	-72.1	169.5	0	0	0	112.7	E210 N211 D217 I218	E210-L214 WeakPolarHBondContact O-CB 3.43Å; E210-L214 WeakPolarHBondContact O-CG 3.48Å; E210-L214 PolarHBondContact O-N 3.1Å; N211-L214 PolarHBondContact O-N 3.18Å; L214-D217 PolarHBondContact O-N 3.31Å; L214-I218 WeakPolarHBondContact O-CB 3.47Å; L214-I218 WeakPolarHBondContact O-CD1 3.33Å; L214-I218 WeakPolarHBondContact O-CG1 3.35Å; L214-I218 PolarHBondContact O-N 3.19Å
215	Y	97	Very high	96.9	Very high	168 Å²	168	99.6 Å²	99.6	66%	0.659	48%	0.484	S	S	*	.	H	α-helix	trans	-63.4	-41.1	175.6	-81	-58.1	0	0	0	112.4	N211 E212 E213 L219	N211-Y215 HydrophobicContact CB-CE2 4.44Å; N211-Y215 WeakPolarHBondContact O-CD2 3.44Å; N211-Y215 PolarHBondContact O-N 2.89Å; E212-Y215 PolarHBondContact O-N 3.13Å; E213-Y215 PolarHBondContact O-N 3.42Å; Y215-L219 WeakPolarHBondContact O-CB 3.42Å; Y215-L219 PolarHBondContact O-N 2.95Å
216	K	96.9	Very high	96.8	Very high	119 Å²	119	101.4 Å²	101.4	52%	0.517	49%	0.487	S	S	.	.	H	α-helix	trans	-65.3	-43.8	175.1	-71.9	164.7	-174.2	159.7	0	111.4	E212 E213 I218 L219 N220	E212-K216 WeakPolarHBondContact O-CG 3.25Å; E212-K216 PolarHBondContact O-N 2.59Å; E212-K216 VanDerWaalsContact O-N 3.09Å; E213-K216 PolarHBondContact O-N 3.36Å; K216-I218 PolarHBondContact O-N 3.49Å; K216-L219 PolarHBondContact O-N 2.88Å; K216-N220 WeakPolarHBondContact O-CB 3.36Å; K216-N220 PolarHBondContact O-N 2.97Å; K216-N220 PolarHBondContact O-ND2 3.11Å
217	D	96.7	Very high	96.8	Very high	87 Å²	87	99 Å²	99	47%	0.465	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-40.5	177.3	-91.7	9.2	0	0	0	112.4	E213 L214 K221	E213-D217 PolarHBondContact O-N 2.82Å; L214-D217 PolarHBondContact O-N 3.31Å; D217-K221 VanDerWaalsContact O-CB 3.3Å; D217-K221 WeakPolarHBondContact O-CB 3.36Å; D217-K221 WeakPolarHBondContact O-CD 3.4Å; D217-K221 WeakPolarHBondContact O-CG 3.42Å; D217-K221 PolarHBondContact O-N 3Å
218	I	97	Very high	96.7	Very high	111 Å²	111	101 Å²	101	57%	0.569	50%	0.496	S	S	*	.	H	α-helix	trans	-63.7	-44	174	-71.1	164.5	0	0	0	110.6	L214 K216 K221 S222	L214-I218 WeakPolarHBondContact O-CB 3.47Å; L214-I218 WeakPolarHBondContact O-CD1 3.33Å; L214-I218 WeakPolarHBondContact O-CG1 3.35Å; L214-I218 PolarHBondContact O-N 3.19Å; K216-I218 PolarHBondContact O-N 3.49Å; I218-K221 PolarHBondContact O-N 2.96Å; I218-S222 WeakPolarHBondContact O-CB 3.35Å; I218-S222 PolarHBondContact O-N 3.4Å
219	L	96.8	Very high	96.7	Very high	92 Å²	92	104 Å²	104	48%	0.482	50%	0.504	S	S	.	.	H	α-helix	trans	-64.4	-51.5	178.7	-177.7	62.4	0	0	0	111.7	Y215 K216 K221 S222 E223	Y215-L219 WeakPolarHBondContact O-CB 3.42Å; Y215-L219 PolarHBondContact O-N 2.95Å; K216-L219 PolarHBondContact O-N 2.88Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 3.46Å; L219-S222 WeakPolarHBondContact O-CA 3.34Å; L219-S222 WeakPolarHBondContact O-CB 3.38Å; L219-S222 PolarHBondContact O-N 3.4Å; L219-E223 PolarHBondContact O-N 2.82Å
220	N	96.6	Very high	96.7	Very high	93 Å²	93	103.4 Å²	103.4	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-56.6	-41.9	177.6	-69.5	-21.9	0	0	0	111.7	K216 E223 L224	K216-N220 WeakPolarHBondContact O-CB 3.36Å; K216-N220 PolarHBondContact O-N 2.97Å; K216-N220 PolarHBondContact O-ND2 3.11Å; N220-E223 PolarHBondContact O-N 2.91Å; N220-L224 WeakPolarHBondContact O-CB 3.25Å; N220-L224 PolarHBondContact O-N 2.82Å
221	K	96.3	Very high	96.6	Very high	128 Å²	128	105.1 Å²	105.1	56%	0.557	52%	0.516	S	S	*	.	H	α-helix	trans	-66.8	-38.5	174.9	-72.3	172.9	-164.7	-58	0	111.9	D217 I218 L219 L224 I225	D217-K221 VanDerWaalsContact O-CB 3.3Å; D217-K221 WeakPolarHBondContact O-CB 3.36Å; D217-K221 WeakPolarHBondContact O-CD 3.4Å; D217-K221 WeakPolarHBondContact O-CG 3.42Å; D217-K221 PolarHBondContact O-N 3Å; I218-K221 PolarHBondContact O-N 2.96Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 3.46Å; K221-L224 PolarHBondContact O-N 3.27Å; K221-I225 WeakPolarHBondContact O-CB 3.42Å; K221-I225 WeakPolarHBondContact O-CD1 3.32Å; K221-I225 WeakPolarHBondContact O-CG1 3.35Å; K221-I225 PolarHBondContact O-N 3.25Å
222	S	96.4	Very high	96.5	Very high	46 Å²	46	107.5 Å²	107.5	32%	0.322	52%	0.522	S	S	.	.	H	α-helix	trans	-64.9	-39.5	175.8	-174.8	0	0	0	0	112.4	I218 L219 K226	I218-S222 WeakPolarHBondContact O-CB 3.35Å; I218-S222 PolarHBondContact O-N 3.4Å; L219-S222 WeakPolarHBondContact O-CA 3.34Å; L219-S222 WeakPolarHBondContact O-CB 3.38Å; L219-S222 PolarHBondContact O-N 3.4Å; S222-K226 WeakPolarHBondContact O-CG 3.34Å; S222-K226 PolarHBondContact O-N 3.18Å; S222-K226 VanDerWaalsContact O-N 3.1Å
223	E	96.5	Very high	96.5	Very high	107 Å²	107	104.6 Å²	104.6	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-68.3	-43.6	175.6	-69.8	180	175	0	0	112	L219 N220 I225 K226 A227	L219-E223 PolarHBondContact O-N 2.82Å; N220-E223 PolarHBondContact O-N 2.91Å; E223-I225 VanDerWaalsContact C-N 3.34Å; E223-I225 PolarHBondContact O-N 2.6Å; E223-K226 PolarHBondContact O-N 3.04Å; E223-A227 PolarHBondContact O-N 3.39Å
224	L	96.8	Very high	96.5	Very high	107 Å²	107	102 Å²	102	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-60.2	-42.8	174.2	-179.7	62.1	0	0	0	111.8	N220 K221 K226 A227 M228	N220-L224 WeakPolarHBondContact O-CB 3.25Å; N220-L224 PolarHBondContact O-N 2.82Å; K221-L224 PolarHBondContact O-N 3.27Å; L224-K226 PolarHBondContact O-N 2.95Å; L224-A227 PolarHBondContact O-N 3.39Å; L224-M228 HydrophobicContact CD1-CG 4.32Å; L224-M228 HydrophobicContact CD1-SD 4.32Å; L224-M228 HydrophobicContact CG-SD 4.13Å; L224-M228 WeakPolarHBondContact O-CB 3.35Å; L224-M228 VanDerWaalsContact O-CG 3.3Å; L224-M228 WeakPolarHBondContact O-CG 3.31Å; L224-M228 PolarHBondContact O-N 3.47Å
225	I	96.4	Very high	96.4	Very high	93 Å²	93	101.6 Å²	101.6	48%	0.477	50%	0.502	S	S	.	.	H	α-helix	trans	-58.8	-47.7	175.3	-73.1	163.4	0	0	0	110.5	K221 E223 A227 M228 E229	K221-I225 WeakPolarHBondContact O-CB 3.42Å; K221-I225 WeakPolarHBondContact O-CD1 3.32Å; K221-I225 WeakPolarHBondContact O-CG1 3.35Å; K221-I225 PolarHBondContact O-N 3.25Å; E223-I225 VanDerWaalsContact C-N 3.34Å; E223-I225 PolarHBondContact O-N 2.6Å; I225-A227 PolarHBondContact O-N 2.96Å; I225-M228 PolarHBondContact O-N 2.9Å; I225-E229 HydrophobicContact CG2-CG 4.33Å; I225-E229 WeakPolarHBondContact O-CB 3.35Å; I225-E229 VanDerWaalsContact O-CG 3.3Å; I225-E229 WeakPolarHBondContact O-CG 3.49Å; I225-E229 PolarHBondContact O-N 3.09Å
226	K	96.6	Very high	96.3	Very high	122 Å²	122	98.7 Å²	98.7	53%	0.53	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-42.6	177.7	-71	167.3	-174.8	170.1	0	112.7	S222 E223 L224 E229 E230	S222-K226 WeakPolarHBondContact O-CG 3.34Å; S222-K226 PolarHBondContact O-N 3.18Å; S222-K226 VanDerWaalsContact O-N 3.1Å; E223-K226 PolarHBondContact O-N 3.04Å; L224-K226 PolarHBondContact O-N 2.95Å; K226-E229 PolarHBondContact O-N 2.88Å; K226-E230 PolarHBondContact O-N 3.21Å
227	A	96.3	Very high	96.2	Very high	53 Å²	53	98.4 Å²	98.4	44%	0.438	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-40.6	177.4	0	0	0	0	0	111.8	E223 L224 I225 E230 E231	E223-A227 PolarHBondContact O-N 3.39Å; L224-A227 PolarHBondContact O-N 3.39Å; I225-A227 PolarHBondContact O-N 2.96Å; A227-E230 PolarHBondContact O-N 2.93Å; A227-E231 WeakPolarHBondContact O-CB 3.24Å; A227-E231 PolarHBondContact O-N 3.3Å
228	M	96.4	Very high	96.1	Very high	111 Å²	111	99.7 Å²	99.7	55%	0.547	50%	0.496	S	S	.	.	H	α-helix	trans	-68	-34.5	174	-69.2	179.1	72.1	0	0	112.6	L224 I225 K232	L224-M228 HydrophobicContact CD1-CG 4.32Å; L224-M228 HydrophobicContact CD1-SD 4.32Å; L224-M228 HydrophobicContact CG-SD 4.13Å; L224-M228 WeakPolarHBondContact O-CB 3.35Å; L224-M228 VanDerWaalsContact O-CG 3.3Å; L224-M228 WeakPolarHBondContact O-CG 3.31Å; L224-M228 PolarHBondContact O-N 3.47Å; I225-M228 PolarHBondContact O-N 2.9Å; M228-K232 WeakPolarHBondContact O-CB 3.31Å; M228-K232 PolarHBondContact O-N 3.35Å
229	E	96.3	Very high	96	Very high	120 Å²	120	99 Å²	99	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-65.6	-39.8	172.9	-74.8	171.7	164.8	0	0	111.7	I225 K226 S233	I225-E229 HydrophobicContact CG2-CG 4.33Å; I225-E229 WeakPolarHBondContact O-CB 3.35Å; I225-E229 VanDerWaalsContact O-CG 3.3Å; I225-E229 WeakPolarHBondContact O-CG 3.49Å; I225-E229 PolarHBondContact O-N 3.09Å; K226-E229 PolarHBondContact O-N 2.88Å; E229-S233 WeakPolarHBondContact O-CB 3.47Å; E229-S233 PolarHBondContact O-N 3.15Å
230	E	96.2	Very high	95.9	Very high	128 Å²	128	98.5 Å²	98.5	60%	0.598	49%	0.489	S	S	*	.	H	α-helix	trans	-69	-47.4	174.7	-176.9	173.4	-166.7	0	0	112.3	K226 A227 K232 S233 N234	K226-E230 PolarHBondContact O-N 3.21Å; A227-E230 PolarHBondContact O-N 2.93Å; E230-K232 VanDerWaalsContact C-N 3.33Å; E230-K232 PolarHBondContact O-N 3.47Å; E230-S233 WeakPolarHBondContact O-CB 3.2Å; E230-S233 PolarHBondContact O-N 3.41Å; E230-S233 VanDerWaalsContact O-N 3.16Å; E230-N234 PolarHBondContact O-N 3.46Å; E230-N234 PolarHBondContact O-ND2 3.2Å
231	E	95.7	Very high	95.7	Very high	120 Å²	120	99.8 Å²	99.8	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-58.5	-46.3	175.4	-174.5	-176.1	-173.1	0	0	110.7	A227 S233 N234 L235	A227-E231 WeakPolarHBondContact O-CB 3.24Å; A227-E231 PolarHBondContact O-N 3.3Å; E231-S233 VanDerWaalsContact C-N 3.34Å; E231-S233 PolarHBondContact O-N 3.18Å; E231-N234 PolarHBondContact O-N 2.9Å; E231-N234 VanDerWaalsContact O-N 3.12Å; E231-L235 HydrophobicContact CG-CD1 4.05Å; E231-L235 HydrophobicContact CG-CG 4.37Å; E231-L235 WeakPolarHBondContact O-CG 3.4Å; E231-L235 PolarHBondContact O-N 2.71Å
232	K	95.9	Very high	95.5	Very high	125 Å²	125	97.2 Å²	97.2	54%	0.543	49%	0.487	S	S	.	.	H	α-helix	trans	-55.2	-48.1	173.8	177.4	-174.4	166.7	-170.9	0	111.3	M228 E230 N234 L235 E236	M228-K232 WeakPolarHBondContact O-CB 3.31Å; M228-K232 PolarHBondContact O-N 3.35Å; E230-K232 VanDerWaalsContact C-N 3.33Å; E230-K232 PolarHBondContact O-N 3.47Å; K232-N234 VanDerWaalsContact C-N 3.28Å; K232-N234 PolarHBondContact O-N 3.01Å; K232-L235 PolarHBondContact O-N 3.23Å; K232-E236 WeakPolarHBondContact CE-OE1 3.22Å; K232-E236 HydrophobicContact CG-CG 4.5Å; K232-E236 IonicContact NZ-OE1 2.7Å; K232-E236 WeakPolarHBondContact O-CB 3.38Å; K232-E236 VanDerWaalsContact O-CG 3.29Å; K232-E236 WeakPolarHBondContact O-CG 3.45Å; K232-E236 PolarHBondContact O-N 3.42Å
233	S	96.3	Very high	95.4	Very high	45 Å²	45	101 Å²	101	32%	0.315	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-35.3	178.1	-172.9	0	0	0	0	112.6	E229 E230 E231 K237	E229-S233 WeakPolarHBondContact O-CB 3.47Å; E229-S233 PolarHBondContact O-N 3.15Å; E230-S233 WeakPolarHBondContact O-CB 3.2Å; E230-S233 PolarHBondContact O-N 3.41Å; E230-S233 VanDerWaalsContact O-N 3.16Å; E231-S233 VanDerWaalsContact C-N 3.34Å; E231-S233 PolarHBondContact O-N 3.18Å; S233-K237 VanDerWaalsContact O-CG 3.29Å; S233-K237 WeakPolarHBondContact O-CG 3.37Å; S233-K237 PolarHBondContact O-N 3.01Å; S233-K237 VanDerWaalsContact O-N 3.16Å
234	N	96.2	Very high	95.2	Very high	68 Å²	68	99 Å²	99	36%	0.364	49%	0.487	S	S	.	.	H	α-helix	trans	-75.3	-38.5	177.7	-69.8	-26.8	0	0	0	112.5	E230 E231 K232 K237 Q238	E230-N234 PolarHBondContact O-N 3.46Å; E230-N234 PolarHBondContact O-ND2 3.2Å; E231-N234 PolarHBondContact O-N 2.9Å; E231-N234 VanDerWaalsContact O-N 3.12Å; K232-N234 VanDerWaalsContact C-N 3.28Å; K232-N234 PolarHBondContact O-N 3.01Å; N234-K237 PolarHBondContact O-N 3.33Å; N234-K237 PolarHBondContact OD1-NZ 2.83Å; N234-Q238 WeakPolarHBondContact O-CG 3.36Å; N234-Q238 PolarHBondContact O-N 2.95Å
235	L	95.4	Very high	95	Very high	90 Å²	90	98.6 Å²	98.6	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-65.3	-38	171.8	-71.7	173.2	0	0	0	111.9	E231 K232 Q238 N239	E231-L235 HydrophobicContact CG-CD1 4.05Å; E231-L235 HydrophobicContact CG-CG 4.37Å; E231-L235 WeakPolarHBondContact O-CG 3.4Å; E231-L235 PolarHBondContact O-N 2.71Å; K232-L235 PolarHBondContact O-N 3.23Å; L235-Q238 PolarHBondContact O-N 3.42Å; L235-N239 WeakPolarHBondContact O-CB 3.49Å; L235-N239 PolarHBondContact O-N 2.97Å
236	E	95.2	Very high	94.7	Very high	107 Å²	107	99.4 Å²	99.4	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-59.6	-44.8	172.6	-77.1	171.4	170.4	0	0	111.2	K232 E240	K232-E236 WeakPolarHBondContact CE-OE1 3.22Å; K232-E236 HydrophobicContact CG-CG 4.5Å; K232-E236 IonicContact NZ-OE1 2.7Å; K232-E236 WeakPolarHBondContact O-CB 3.38Å; K232-E236 VanDerWaalsContact O-CG 3.29Å; K232-E236 WeakPolarHBondContact O-CG 3.45Å; K232-E236 PolarHBondContact O-N 3.42Å; E236-E240 PolarHBondContact O-N 3.34Å; E236-E240 VanDerWaalsContact O-N 3.1Å
237	K	94.7	Very high	94.4	Very high	114 Å²	114	98.2 Å²	98.2	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-48.7	174.3	-66.9	164.6	-157.4	157.7	0	112.7	S233 N234 N239 E240 E241	S233-K237 VanDerWaalsContact O-CG 3.29Å; S233-K237 WeakPolarHBondContact O-CG 3.37Å; S233-K237 PolarHBondContact O-N 3.01Å; S233-K237 VanDerWaalsContact O-N 3.16Å; N234-K237 PolarHBondContact O-N 3.33Å; N234-K237 PolarHBondContact OD1-NZ 2.83Å; K237-N239 VanDerWaalsContact C-N 3.31Å; K237-N239 PolarHBondContact O-N 2.87Å; K237-E240 WeakPolarHBondContact O-CB 3.25Å; K237-E240 PolarHBondContact O-N 2.95Å; K237-E240 VanDerWaalsContact O-N 3.13Å; K237-E241 PolarHBondContact O-N 3.27Å
238	Q	93.7	Very high	94.1	Very high	114 Å²	114	101.1 Å²	101.1	53%	0.533	49%	0.489	S	S	.	.	H	α-helix	trans	-62.2	-38.5	179.5	-75.7	-178.8	-7.7	0	0	112.2	N234 L235 E240 E241 V242	N234-Q238 WeakPolarHBondContact O-CG 3.36Å; N234-Q238 PolarHBondContact O-N 2.95Å; L235-Q238 PolarHBondContact O-N 3.42Å; Q238-E240 VanDerWaalsContact C-N 3.32Å; Q238-E241 PolarHBondContact O-N 3.42Å; Q238-V242 WeakPolarHBondContact O-CB 3.45Å; Q238-V242 VanDerWaalsContact O-CG2 3.32Å; Q238-V242 WeakPolarHBondContact O-CG2 3.28Å; Q238-V242 PolarHBondContact O-N 3.29Å
239	N	94.6	Very high	93.7	Very high	96 Å²	96	98.2 Å²	98.2	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-65.4	-37.6	175.4	-170.4	2.7	0	0	0	111.1	L235 K237 R243	L235-N239 WeakPolarHBondContact O-CB 3.49Å; L235-N239 PolarHBondContact O-N 2.97Å; K237-N239 VanDerWaalsContact C-N 3.31Å; K237-N239 PolarHBondContact O-N 2.87Å; N239-R243 VanDerWaalsContact O-CB 3.28Å; N239-R243 WeakPolarHBondContact O-CB 3.34Å; N239-R243 PolarHBondContact O-N 3.25Å
240	E	94.6	Very high	93.3	Very high	81 Å²	81	99 Å²	99	38%	0.379	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-45.2	171.6	-156.5	62.6	-128.7	0	0	112	E236 K237 Q238 R243 N244	E236-E240 PolarHBondContact O-N 3.34Å; E236-E240 VanDerWaalsContact O-N 3.1Å; K237-E240 WeakPolarHBondContact O-CB 3.25Å; K237-E240 PolarHBondContact O-N 2.95Å; K237-E240 VanDerWaalsContact O-N 3.13Å; Q238-E240 VanDerWaalsContact C-N 3.32Å; E240-R243 WeakPolarHBondContact O-CB 3.37Å; E240-R243 PolarHBondContact O-N 2.71Å; E240-R243 IonicContact OE1-CZ 3.77Å; E240-R243 IonicContact OE1-NH1 3.02Å; E240-R243 PolarHBondContact OE1-NH1 2.96Å; E240-R243 IonicContact OE2-CZ 3.68Å; E240-R243 IonicContact OE2-NH1 3.86Å; E240-R243 PolarHBondContact OE2-NH1 2.83Å; E240-R243 IonicContact OE2-NH2 3.6Å; E240-N244 WeakPolarHBondContact O-CB 3.44Å; E240-N244 VanDerWaalsContact O-CG 3.24Å; E240-N244 PolarHBondContact O-N 2.87Å; E240-N244 PolarHBondContact O-ND2 3.42Å; E240-N244 VanDerWaalsContact O-ND2 3.07Å
241	E	93.8	Very high	92.9	Very high	121 Å²	121	96.7 Å²	96.7	57%	0.565	48%	0.476	S	S	*	.	H	α-helix	trans	-61.4	-43.9	174.9	-73.1	-179.3	179.8	0	0	112.7	K237 Q238 R243 N244 N245	K237-E241 PolarHBondContact O-N 3.27Å; Q238-E241 PolarHBondContact O-N 3.42Å; E241-R243 VanDerWaalsContact C-N 3.35Å; E241-N244 PolarHBondContact O-N 3.33Å; E241-N245 WeakPolarHBondContact O-CB 3.38Å; E241-N245 PolarHBondContact O-N 2.89Å; E241-N245 PolarHBondContact O-ND2 2.99Å
242	V	92.3	Very high	92.5	Very high	74 Å²	74	96.1 Å²	96.1	45%	0.448	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-39.9	176	169.7	0	0	0	0	110.8	Q238 N244 N245 Q246	Q238-V242 WeakPolarHBondContact O-CB 3.45Å; Q238-V242 VanDerWaalsContact O-CG2 3.32Å; Q238-V242 WeakPolarHBondContact O-CG2 3.28Å; Q238-V242 PolarHBondContact O-N 3.29Å; V242-N244 VanDerWaalsContact C-N 3.35Å; V242-N245 PolarHBondContact O-N 3.22Å; V242-Q246 HydrophobicContact CG1-CG 4.4Å; V242-Q246 WeakPolarHBondContact O-CB 3.38Å; V242-Q246 VanDerWaalsContact O-CG 3.29Å; V242-Q246 WeakPolarHBondContact O-CG 3.33Å; V242-Q246 PolarHBondContact O-N 3.45Å
243	R	93.2	Very high	92	Very high	124 Å²	124	96.9 Å²	96.9	47%	0.468	48%	0.481	S	S	.	.	H	α-helix	trans	-61.5	-43.2	174.5	-169.3	-172.5	-55.3	144.4	11.7	111.5	N239 E240 E241 Q246 L247	N239-R243 VanDerWaalsContact O-CB 3.28Å; N239-R243 WeakPolarHBondContact O-CB 3.34Å; N239-R243 PolarHBondContact O-N 3.25Å; E240-R243 WeakPolarHBondContact O-CB 3.37Å; E240-R243 PolarHBondContact O-N 2.71Å; E240-R243 IonicContact OE1-CZ 3.77Å; E240-R243 IonicContact OE1-NH1 3.02Å; E240-R243 PolarHBondContact OE1-NH1 2.96Å; E240-R243 IonicContact OE2-CZ 3.68Å; E240-R243 IonicContact OE2-NH1 3.86Å; E240-R243 PolarHBondContact OE2-NH1 2.83Å; E240-R243 IonicContact OE2-NH2 3.6Å; E241-R243 VanDerWaalsContact C-N 3.35Å; R243-Q246 PolarHBondContact O-N 2.89Å; R243-L247 PolarHBondContact O-N 3.13Å
244	N	92.8	Very high	91.5	Very high	66 Å²	66	102 Å²	102	35%	0.353	50%	0.495	S	S	.	.	H	α-helix	trans	-65.4	-43.5	175.2	-69.1	-34.8	0	0	0	111.8	E240 E241 V242 Q246 L247 F248	E240-N244 WeakPolarHBondContact O-CB 3.44Å; E240-N244 VanDerWaalsContact O-CG 3.24Å; E240-N244 PolarHBondContact O-N 2.87Å; E240-N244 PolarHBondContact O-ND2 3.42Å; E240-N244 VanDerWaalsContact O-ND2 3.07Å; E241-N244 PolarHBondContact O-N 3.33Å; V242-N244 VanDerWaalsContact C-N 3.35Å; N244-Q246 PolarHBondContact O-N 3.04Å; N244-L247 VanDerWaalsContact O-CB 3.3Å; N244-L247 WeakPolarHBondContact O-CB 3.48Å; N244-L247 PolarHBondContact O-N 3.49Å; N244-L247 VanDerWaalsContact O-N 3.14Å; N244-F248 HydrophobicContact CB-CE2 4.17Å; N244-F248 WeakPolarHBondContact O-CD2 3.42Å; N244-F248 VanDerWaalsContact O-CG 3.31Å; N244-F248 WeakPolarHBondContact O-CG 3.47Å; N244-F248 PolarHBondContact O-N 2.86Å
245	N	91.6	Very high	91	Very high	98 Å²	98	103.8 Å²	103.8	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-35.3	175.9	-74.8	-33	0	0	0	112.8	E241 V242 L247 F248 A249	E241-N245 WeakPolarHBondContact O-CB 3.38Å; E241-N245 PolarHBondContact O-N 2.89Å; E241-N245 PolarHBondContact O-ND2 2.99Å; V242-N245 PolarHBondContact O-N 3.22Å; N245-L247 VanDerWaalsContact C-N 3.33Å; N245-F248 PolarHBondContact O-N 2.85Å; N245-A249 WeakPolarHBondContact O-CB 3.25Å; N245-A249 PolarHBondContact O-N 3.34Å
246	Q	90.2	Very high	90.4	Very high	111 Å²	111	104.2 Å²	104.2	52%	0.519	50%	0.503	S	S	.	.	H	α-helix	trans	-67.4	-33.1	172	-75.7	178.1	7.2	0	0	112.3	V242 R243 N244 K250	V242-Q246 HydrophobicContact CG1-CG 4.4Å; V242-Q246 WeakPolarHBondContact O-CB 3.38Å; V242-Q246 VanDerWaalsContact O-CG 3.29Å; V242-Q246 WeakPolarHBondContact O-CG 3.33Å; V242-Q246 PolarHBondContact O-N 3.45Å; R243-Q246 PolarHBondContact O-N 2.89Å; N244-Q246 PolarHBondContact O-N 3.04Å; Q246-K250 VanDerWaalsContact O-CG 3.3Å; Q246-K250 WeakPolarHBondContact O-CG 3.31Å; Q246-K250 PolarHBondContact O-N 3.12Å; Q246-K250 VanDerWaalsContact O-N 3.14Å
247	L	90.2	Very high	89.9	Confident	97 Å²	97	105.9 Å²	105.9	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-64.7	-54.3	171.5	-167.6	68.8	0	0	0	109.8	R243 N244 N245 A249 K250 D251	R243-L247 PolarHBondContact O-N 3.13Å; N244-L247 VanDerWaalsContact O-CB 3.3Å; N244-L247 WeakPolarHBondContact O-CB 3.48Å; N244-L247 PolarHBondContact O-N 3.49Å; N244-L247 VanDerWaalsContact O-N 3.14Å; N245-L247 VanDerWaalsContact C-N 3.33Å; L247-A249 VanDerWaalsContact C-N 3.31Å; L247-A249 PolarHBondContact O-N 3.44Å; L247-K250 WeakPolarHBondContact O-CB 3.39Å; L247-K250 PolarHBondContact O-N 2.89Å; L247-K250 VanDerWaalsContact O-N 3.12Å; L247-D251 VanDerWaalsContact O-CG 3.29Å; L247-D251 PolarHBondContact O-N 2.89Å
248	F	91.6	Very high	89.3	Confident	114 Å²	114	104.9 Å²	104.9	50%	0.5	50%	0.501	S	S	.	.	H	α-helix	trans	-60.2	-35.9	177.8	-58.1	-40	0	0	0	113.5	N244 N245 D251 L252	N244-F248 HydrophobicContact CB-CE2 4.17Å; N244-F248 WeakPolarHBondContact O-CD2 3.42Å; N244-F248 VanDerWaalsContact O-CG 3.31Å; N244-F248 WeakPolarHBondContact O-CG 3.47Å; N244-F248 PolarHBondContact O-N 2.86Å; N245-F248 PolarHBondContact O-N 2.85Å; F248-D251 PolarHBondContact O-N 3.44Å; F248-L252 WeakPolarHBondContact O-CB 3.27Å; F248-L252 PolarHBondContact O-N 3.37Å
249	A	86.6	Confident	88.8	Confident	50 Å²	50	107.9 Å²	107.9	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-67.9	-38.9	176.5	0	0	0	0	0	112.1	N245 L247 L252 E253	N245-A249 WeakPolarHBondContact O-CB 3.25Å; N245-A249 PolarHBondContact O-N 3.34Å; L247-A249 VanDerWaalsContact C-N 3.31Å; L247-A249 PolarHBondContact O-N 3.44Å; A249-L252 PolarHBondContact O-N 2.86Å; A249-E253 PolarHBondContact O-N 3.18Å
250	K	87.7	Confident	88	Confident	136 Å²	136	111 Å²	111	59%	0.591	51%	0.512	S	S	*	.	H	α-helix	trans	-65.9	-39.5	171.9	-74.8	171.5	-179.7	175.5	0	111.7	Q246 L247 L252 E253 Y254	Q246-K250 VanDerWaalsContact O-CG 3.3Å; Q246-K250 WeakPolarHBondContact O-CG 3.31Å; Q246-K250 PolarHBondContact O-N 3.12Å; Q246-K250 VanDerWaalsContact O-N 3.14Å; L247-K250 WeakPolarHBondContact O-CB 3.39Å; L247-K250 PolarHBondContact O-N 2.89Å; L247-K250 VanDerWaalsContact O-N 3.12Å; K250-L252 VanDerWaalsContact C-N 3.33Å; K250-E253 PolarHBondContact O-N 3.45Å; K250-Y254 VanDerWaalsContact O-CB 3.27Å; K250-Y254 WeakPolarHBondContact O-CB 3.41Å; K250-Y254 PolarHBondContact O-N 2.83Å
251	D	88.3	Confident	87.3	Confident	80 Å²	80	110.2 Å²	110.2	43%	0.428	51%	0.509	S	S	.	.	H	α-helix	trans	-63.5	-40.1	174.5	-62.5	-27.6	0	0	0	111.1	L247 F248 Y254 I255	L247-D251 VanDerWaalsContact O-CG 3.29Å; L247-D251 PolarHBondContact O-N 2.89Å; F248-D251 PolarHBondContact O-N 3.44Å; D251-Y254 WeakPolarHBondContact O-CB 3.32Å; D251-Y254 PolarHBondContact O-N 3.35Å; D251-I255 WeakPolarHBondContact O-CD1 3.25Å; D251-I255 VanDerWaalsContact O-CG1 3.23Å; D251-I255 WeakPolarHBondContact O-CG1 3.44Å; D251-I255 PolarHBondContact O-N 3.4Å
252	L	87.2	Confident	86.5	Confident	107 Å²	107	105.7 Å²	105.7	56%	0.56	49%	0.494	S	S	*	.	H	α-helix	trans	-67.1	-45	174	-92.1	154.8	0	0	0	113.2	F248 A249 K250 Y254 I255 E256	F248-L252 WeakPolarHBondContact O-CB 3.27Å; F248-L252 PolarHBondContact O-N 3.37Å; A249-L252 PolarHBondContact O-N 2.86Å; K250-L252 VanDerWaalsContact C-N 3.33Å; L252-Y254 VanDerWaalsContact C-N 3.29Å; L252-Y254 PolarHBondContact O-N 3.31Å; L252-I255 PolarHBondContact O-N 3.01Å; L252-E256 PolarHBondContact O-N 2.86Å
253	E	85.7	Confident	85.8	Confident	142 Å²	142	105.9 Å²	105.9	66%	0.664	49%	0.492	S	S	*	.	H	α-helix	trans	-60.8	-39.7	173.2	-84.3	-167	148.3	0	0	111.4	A249 K250 E256 Y257	A249-E253 PolarHBondContact O-N 3.18Å; K250-E253 PolarHBondContact O-N 3.45Å; E253-E256 PolarHBondContact O-N 3.29Å; E253-Y257 WeakPolarHBondContact O-CB 3.24Å; E253-Y257 PolarHBondContact O-N 3.48Å
254	Y	86	Confident	84.8	Confident	151 Å²	151	103.5 Å²	103.5	59%	0.592	50%	0.495	S	S	*	.	H	α-helix	trans	-61.3	-43.2	174.6	179	-97.5	0	0	0	111.6	K250 D251 L252 K258	K250-Y254 VanDerWaalsContact O-CB 3.27Å; K250-Y254 WeakPolarHBondContact O-CB 3.41Å; K250-Y254 PolarHBondContact O-N 2.83Å; D251-Y254 WeakPolarHBondContact O-CB 3.32Å; D251-Y254 PolarHBondContact O-N 3.35Å; L252-Y254 VanDerWaalsContact C-N 3.29Å; L252-Y254 PolarHBondContact O-N 3.31Å; Y254-K258 HydrophobicContact CE1-CG 4.37Å; Y254-K258 WeakPolarHBondContact O-CB 3.24Å; Y254-K258 VanDerWaalsContact O-CG 3.31Å; Y254-K258 WeakPolarHBondContact O-CG 3.45Å; Y254-K258 PolarHBondContact O-N 3.46Å
255	I	86.2	Confident	83.9	Confident	107 Å²	107	105.7 Å²	105.7	55%	0.549	50%	0.503	S	S	.	.	H	α-helix	trans	-66.3	-43.9	174.6	-67.9	162.2	0	0	0	111.6	D251 L252 K258 R259	D251-I255 WeakPolarHBondContact O-CD1 3.25Å; D251-I255 VanDerWaalsContact O-CG1 3.23Å; D251-I255 WeakPolarHBondContact O-CG1 3.44Å; D251-I255 PolarHBondContact O-N 3.4Å; L252-I255 PolarHBondContact O-N 3.01Å; I255-K258 PolarHBondContact O-N 2.68Å; I255-R259 WeakPolarHBondContact O-CB 3.17Å; I255-R259 PolarHBondContact O-N 3.43Å
256	E	82.3	Confident	82.7	Confident	98 Å²	98	106.4 Å²	106.4	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-43.5	176.5	-87.2	-129.5	168.4	0	0	112.2	L252 E253 R259 R260	L252-E256 PolarHBondContact O-N 2.86Å; E253-E256 PolarHBondContact O-N 3.29Å; E256-R259 CarbonylContact O-C 3.58Å; E256-R259 PolarHBondContact O-N 3.4Å; E256-R260 WeakPolarHBondContact O-CG 3.41Å; E256-R260 PolarHBondContact O-N 3.37Å; E256-R260 IonicContact OE2-CZ 2.84Å; E256-R260 IonicContact OE2-NE 2.83Å; E256-R260 IonicContact OE2-NH2 3.47Å; E256-R260 PolarHBondContact OE2-NH2 2.83Å
257	Y	84.5	Confident	81.3	Confident	142 Å²	142	108.5 Å²	108.5	56%	0.557	51%	0.513	S	S	*	.	H	α-helix	trans	-58.9	-50.5	174.8	170.9	-99.3	0	0	0	110	E253 R259 R260 E261	E253-Y257 WeakPolarHBondContact O-CB 3.24Å; E253-Y257 PolarHBondContact O-N 3.48Å; Y257-R259 VanDerWaalsContact C-N 3.28Å; Y257-R259 PolarHBondContact O-N 3.01Å; Y257-R260 PolarHBondContact O-N 2.92Å; Y257-E261 VanDerWaalsContact O-CB 3.27Å; Y257-E261 WeakPolarHBondContact O-CB 3.47Å; Y257-E261 PolarHBondContact O-N 3.41Å
258	K	82	Confident	80	Confident	94 Å²	94	107.3 Å²	107.3	41%	0.409	51%	0.514	S	S	.	.	H	α-helix	trans	-58.4	-38.3	175	-76.8	-74.3	158.6	-151.2	0	112.5	Y254 I255 E261 G262	Y254-K258 HydrophobicContact CE1-CG 4.37Å; Y254-K258 WeakPolarHBondContact O-CB 3.24Å; Y254-K258 VanDerWaalsContact O-CG 3.31Å; Y254-K258 WeakPolarHBondContact O-CG 3.45Å; Y254-K258 PolarHBondContact O-N 3.46Å; I255-K258 PolarHBondContact O-N 2.68Å; K258-E261 WeakPolarHBondContact CD-OE2 3.18Å; K258-E261 IonicContact NZ-OE1 3.9Å; K258-E261 IonicContact NZ-OE2 2.7Å; K258-E261 PolarHBondContact NZ-OE2 2.81Å; K258-G262 PolarHBondContact O-N 3.19Å; K258-G262 VanDerWaalsContact O-N 3.12Å
259	R	82.8	Confident	78.8	Confident	177 Å²	177	107.8 Å²	107.8	67%	0.668	52%	0.521	S	S	*	.	H	α-helix	trans	-68.5	-42.4	175.5	-177.5	-172.9	146.7	156.2	-3.4	112.6	I255 E256 Y257 G262 L263	I255-R259 WeakPolarHBondContact O-CB 3.17Å; I255-R259 PolarHBondContact O-N 3.43Å; E256-R259 CarbonylContact O-C 3.58Å; E256-R259 PolarHBondContact O-N 3.4Å; Y257-R259 VanDerWaalsContact C-N 3.28Å; Y257-R259 PolarHBondContact O-N 3.01Å; R259-G262 PolarHBondContact O-N 3.02Å; R259-L263 HydrophobicContact CG-CD1 4.09Å; R259-L263 WeakPolarHBondContact O-CB 3.27Å; R259-L263 PolarHBondContact O-N 3.35Å
260	R	79	Confident	77.5	Confident	161 Å²	161	108.9 Å²	108.9	61%	0.608	53%	0.525	S	S	*	.	H	α-helix	trans	-70.8	-35.8	177.5	-74.8	-171.3	-161.5	-177.1	11.1	112.4	E256 Y257 L263 S264	E256-R260 WeakPolarHBondContact O-CG 3.41Å; E256-R260 PolarHBondContact O-N 3.37Å; E256-R260 IonicContact OE2-CZ 2.84Å; E256-R260 IonicContact OE2-NE 2.83Å; E256-R260 IonicContact OE2-NH2 3.47Å; E256-R260 PolarHBondContact OE2-NH2 2.83Å; Y257-R260 PolarHBondContact O-N 2.92Å; R260-L263 PolarHBondContact O-N 2.78Å; R260-S264 VanDerWaalsContact O-CB 3.3Å; R260-S264 WeakPolarHBondContact O-CB 3.48Å; R260-S264 PolarHBondContact O-N 3.34Å; R260-S264 PolarHBondContact O-OG 2.84Å
261	E	79.7	Confident	75.8	Confident	65 Å²	65	106.3 Å²	106.3	30%	0.304	53%	0.529	S	S	.	.	H	α-helix	trans	-56.3	-53.2	170.8	-174.1	177.9	-154.1	0	0	109.4	Y257 K258 L263 S264 Q265	Y257-E261 VanDerWaalsContact O-CB 3.27Å; Y257-E261 WeakPolarHBondContact O-CB 3.47Å; Y257-E261 PolarHBondContact O-N 3.41Å; K258-E261 WeakPolarHBondContact CD-OE2 3.18Å; K258-E261 IonicContact NZ-OE1 3.9Å; K258-E261 IonicContact NZ-OE2 2.7Å; K258-E261 PolarHBondContact NZ-OE2 2.81Å; E261-L263 PolarHBondContact O-N 3.43Å; E261-S264 PolarHBondContact O-N 3.04Å; E261-Q265 VanDerWaalsContact O-CG 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.4Å; E261-Q265 PolarHBondContact O-N 3.41Å
262	G	77.6	Confident	74.2	Confident	25 Å²	25	110.7 Å²	110.7	26%	0.258	55%	0.547	S	S	.	.	H	α-helix	trans	-62.2	-38.8	174.7	0	0	0	0	0	114.7	K258 R259 L266	K258-G262 PolarHBondContact O-N 3.19Å; K258-G262 VanDerWaalsContact O-N 3.12Å; R259-G262 PolarHBondContact O-N 3.02Å; G262-L266 WeakPolarHBondContact O-CG 3.24Å; G262-L266 PolarHBondContact O-N 2.91Å
263	L	77.5	Confident	72.3	Confident	78 Å²	78	117.5 Å²	117.5	41%	0.408	57%	0.572	S	S	.	*	H	α-helix	trans	-70.8	-32.4	176.8	-84.4	165	0	0	0	113.6	R259 R260 E261 L266 K267	R259-L263 HydrophobicContact CG-CD1 4.09Å; R259-L263 WeakPolarHBondContact O-CB 3.27Å; R259-L263 PolarHBondContact O-N 3.35Å; R260-L263 PolarHBondContact O-N 2.78Å; E261-L263 PolarHBondContact O-N 3.43Å; L263-L266 PolarHBondContact O-N 3.24Å; L263-K267 PolarHBondContact O-N 3.14Å
264	S	71.1	Confident	71.6	Confident	74 Å²	74	116.3 Å²	116.3	52%	0.517	57%	0.568	S	S	.	*	H	α-helix	trans	-72.9	-38.4	176.4	-58.5	0	0	0	0	110.9	R260 E261 L266 K267 S268	R260-S264 VanDerWaalsContact O-CB 3.3Å; R260-S264 WeakPolarHBondContact O-CB 3.48Å; R260-S264 PolarHBondContact O-N 3.34Å; R260-S264 PolarHBondContact O-OG 2.84Å; E261-S264 PolarHBondContact O-N 3.04Å; S264-L266 VanDerWaalsContact C-N 3.33Å; S264-K267 PolarHBondContact O-N 3.01Å; S264-S268 PolarHBondContact O-N 3.31Å; S264-S268 PolarHBondContact O-OG 3.25Å
265	Q	74.2	Confident	70.9	Confident	112 Å²	112	114.4 Å²	114.4	52%	0.523	57%	0.566	S	S	.	*	H	α-helix	trans	-59.1	-42.3	169.1	-70	168	4.7	0	0	111.5	E261 S268 L269	E261-Q265 VanDerWaalsContact O-CG 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.4Å; E261-Q265 PolarHBondContact O-N 3.41Å; Q265-S268 PolarHBondContact O-OG 3.01Å; Q265-S268 VanDerWaalsContact O-OG 3.06Å; Q265-L269 WeakPolarHBondContact O-CD1 3.15Å; Q265-L269 WeakPolarHBondContact O-CG 3.5Å; Q265-L269 PolarHBondContact O-N 3.21Å
266	L	67.3	Low	70	Confident	114 Å²	114	114.8 Å²	114.8	60%	0.597	57%	0.567	S	S	*	*	H	α-helix	trans	-66.3	-38.6	173.7	-79.4	162.5	0	0	0	113.3	G262 L263 S264 S270	G262-L266 WeakPolarHBondContact O-CG 3.24Å; G262-L266 PolarHBondContact O-N 2.91Å; L263-L266 PolarHBondContact O-N 3.24Å; S264-L266 VanDerWaalsContact C-N 3.33Å; L266-S270 PolarHBondContact O-N 3.29Å; L266-S270 VanDerWaalsContact O-N 3.13Å
267	K	59.2	Low	69.3	Low	154 Å²	154	115.8 Å²	115.8	67%	0.67	57%	0.574	S	S	*	*	H	α-helix	trans	-72.7	-39.2	-179.5	-85.6	-170.6	173.8	-174.4	0	113.4	L263 S264 L269 S270 A271	L263-K267 PolarHBondContact O-N 3.14Å; S264-K267 PolarHBondContact O-N 3.01Å; K267-L269 VanDerWaalsContact C-N 3.29Å; K267-L269 PolarHBondContact O-N 3.37Å; K267-S270 WeakPolarHBondContact CA-OG 3.28Å; K267-S270 PolarHBondContact O-N 3.21Å; K267-S270 PolarHBondContact O-OG 2.87Å; K267-A271 PolarHBondContact O-N 2.81Å
268	S	64.4	Low	68.3	Low	73 Å²	73	114.2 Å²	114.2	51%	0.51	58%	0.575	S	S	.	*	H	α-helix	trans	-62.9	-38.1	174.2	59.2	0	0	0	0	111.5	S264 Q265 S270	S264-S268 PolarHBondContact O-N 3.31Å; S264-S268 PolarHBondContact O-OG 3.25Å; Q265-S268 PolarHBondContact O-OG 3.01Å; Q265-S268 VanDerWaalsContact O-OG 3.06Å; S268-S270 VanDerWaalsContact C-N 3.28Å; S268-S270 PolarHBondContact O-N 3.42Å
269	L	65.1	Low	67.4	Low	124 Å²	124	115.5 Å²	115.5	65%	0.649	59%	0.586	S	S	*	*	H	α-helix	trans	-62.7	-30.1	170.3	-77.7	166.1	0	0	0	113.5	Q265 K267	Q265-L269 WeakPolarHBondContact O-CD1 3.15Å; Q265-L269 WeakPolarHBondContact O-CG 3.5Å; Q265-L269 PolarHBondContact O-N 3.21Å; K267-L269 VanDerWaalsContact C-N 3.29Å; K267-L269 PolarHBondContact O-N 3.37Å
270	S	58.9	Low	66.3	Low	73 Å²	73	111.1 Å²	111.1	51%	0.51	58%	0.58	S	S	.	*	H	α-helix	trans	-84.6	-28.4	-179.1	72	0	0	0	0	114.8	L266 K267 S268 Q272	L266-S270 PolarHBondContact O-N 3.29Å; L266-S270 VanDerWaalsContact O-N 3.13Å; K267-S270 WeakPolarHBondContact CA-OG 3.28Å; K267-S270 PolarHBondContact O-N 3.21Å; K267-S270 PolarHBondContact O-OG 2.87Å; S268-S270 VanDerWaalsContact C-N 3.28Å; S268-S270 PolarHBondContact O-N 3.42Å; S270-Q272 VanDerWaalsContact C-N 3.32Å
271	A	53.2	Low	65.3	Low	82 Å²	82	107.3 Å²	107.3	68%	0.678	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	3.3	-177.4	0	0	0	0	0	114	K267 K273	K267-A271 PolarHBondContact O-N 2.81Å; A271-K273 VanDerWaalsContact C-N 3.34Å
272	Q	55.3	Low	64.2	Low	171 Å²	171	110.8 Å²	110.8	80%	0.799	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	24.1	171.1	-70	-175.3	-29.3	0	0	112.4	S270	S270-Q272 VanDerWaalsContact C-N 3.32Å
273	K	46.2	Very low	62.9	Low	250 Å²	250	118.6 Å²	118.6	100%	1.087	63%	0.632	S	S	*	*			trans	-123.8	0	170	-77.7	-171.6	174.4	-176.3	0	110.1	A271	A271-K273 VanDerWaalsContact C-N 3.34Å

Retrieved 273 of 273 residues in 423.6 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).