A0A3Q0KSQ3_SCHMA Loading...

Putative intermediate filament proteins

AlphaFold DB , UniProt , Accession A0A3Q0KSQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 609 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.2	Very low	53.1	Low	227 Å²	227	150.9 Å²	150.9	100%	1.118	74%	0.739	S	S	*	*				0	1.4	0	-79.4	168.3	109.1	0	0	115.1
2	S	56.1	Low	53.1	Low	95 Å²	95	144.3 Å²	144.3	66%	0.664	72%	0.719	S	S	*	*			trans	-112.7	2	-178	-55.7	0	0	0	0	115.6
3	Q	51.9	Low	52.7	Low	182 Å²	182	141.9 Å²	141.9	85%	0.85	71%	0.709	S	S	*	*	S	Bend	trans	-82.4	-20.3	174.4	-87	-169.7	2.4	0	0	113.9
4	E	55.7	Low	52.6	Low	163 Å²	163	137.4 Å²	137.4	76%	0.762	70%	0.698	S	S	*	*	S	Bend	trans	-82	-29.4	179.9	-90.3	165.9	154.3	0	0	114	W6	E4-W6 VanDerWaalsContact C-N 3.28Å; E4-W6 PolarHBondContact O-N 3.11Å
5	V	56.5	Low	52.6	Low	110 Å²	110	132.6 Å²	132.6	67%	0.667	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-21	-177.9	-179.6	0	0	0	0	112.8
6	W	51.2	Low	52.2	Low	198 Å²	198	131.6 Å²	131.6	75%	0.75	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-20.4	-179.1	-84.3	88.9	0	0	0	114.5	E4	E4-W6 VanDerWaalsContact C-N 3.28Å; E4-W6 PolarHBondContact O-N 3.11Å
7	R	54	Low	52.1	Low	203 Å²	203	129.1 Å²	129.1	77%	0.766	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-31.8	175.3	-72.1	-156.1	179.6	-154.3	3	113.1	K9 T10	R7-K9 VanDerWaalsContact C-N 3.26Å; R7-K9 PolarHBondContact O-N 3.24Å; R7-T10 PolarHBondContact O-N 2.93Å; R7-T10 PolarHBondContact O-OG1 3.47Å
8	S	54.1	Low	52	Low	90 Å²	90	134.2 Å²	134.2	63%	0.629	68%	0.675	S	S	*	*	H	α-helix	trans	-71.7	-17	178.8	-59.3	0	0	0	0	114.1
9	K	51.2	Low	51.9	Low	148 Å²	148	134.3 Å²	134.3	64%	0.643	68%	0.677	S	S	*	*	H	α-helix	trans	-85.8	-17.3	175.9	-134.1	173.3	-172.9	177.7	0	113.5	R7	R7-K9 VanDerWaalsContact C-N 3.26Å; R7-K9 PolarHBondContact O-N 3.24Å
10	T	52.3	Low	51.8	Low	94 Å²	94	131.2 Å²	131.2	58%	0.577	67%	0.673	S	S	*	*	H	α-helix	trans	-78.4	-23.8	176.5	47.3	0	0	0	0	113	R7	R7-T10 PolarHBondContact O-N 2.93Å; R7-T10 PolarHBondContact O-OG1 3.47Å
11	E	52.9	Low	51.7	Low	150 Å²	150	134.1 Å²	134.1	70%	0.701	68%	0.675	S	S	*	*	H	α-helix	trans	-76.8	-34.5	177.8	-72.7	-179.9	172.7	0	0	112.8	L13 S14	E11-L13 VanDerWaalsContact C-N 3.29Å; E11-L13 PolarHBondContact O-N 2.84Å; E11-S14 PolarHBondContact O-N 3.32Å; E11-S14 PolarHBondContact O-OG 3.22Å
12	S	53.1	Low	51.7	Low	72 Å²	72	130.4 Å²	130.4	50%	0.503	66%	0.66	S	S	.	*	H	α-helix	trans	-76.6	-11.7	178.3	87.9	0	0	0	0	114.5	S15	S12-S15 PolarHBondContact O-OG 3.36Å
13	L	47.6	Very low	50.8	Low	113 Å²	113	131.9 Å²	131.9	59%	0.592	67%	0.665	S	S	*	*	H	α-helix	trans	-87.6	-23.6	175.1	-74	167.8	0	0	0	111.9	E11 S15 L16 D17	E11-L13 VanDerWaalsContact C-N 3.29Å; E11-L13 PolarHBondContact O-N 2.84Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 2.82Å; L13-D17 PolarHBondContact O-N 3Å
14	S	52.3	Low	50.2	Low	78 Å²	78	130.3 Å²	130.3	55%	0.545	66%	0.662	S	S	.	*	H	α-helix	trans	-67.5	-27.4	173.4	76.6	0	0	0	0	112.9	E11	E11-S14 PolarHBondContact O-N 3.32Å; E11-S14 PolarHBondContact O-OG 3.22Å
15	S	52	Low	49.7	Very low	66 Å²	66	128 Å²	128	46%	0.462	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.1	-26.2	175.4	49.4	0	0	0	0	113.7	S12 L13	S12-S15 PolarHBondContact O-OG 3.36Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 2.88Å
16	L	46.9	Very low	48.9	Very low	117 Å²	117	129.4 Å²	129.4	61%	0.613	66%	0.66	S	S	*	*	H	α-helix	trans	-79.1	-27	177.1	-144.7	74.4	0	0	0	112	L13 R18 L19 A20	L13-L16 PolarHBondContact O-N 2.82Å; L16-R18 PolarHBondContact O-N 3.2Å; L16-L19 PolarHBondContact O-N 2.94Å; L16-A20 PolarHBondContact O-N 2.79Å
17	D	49.2	Very low	48.5	Very low	89 Å²	89	127.8 Å²	127.8	48%	0.476	67%	0.666	S	S	.	*	H	α-helix	trans	-75.2	-13.8	179.7	-147.3	42.8	0	0	0	113.4	L13 R21	L13-D17 PolarHBondContact O-N 3Å; D17-R21 PolarHBondContact O-NE 2.87Å; D17-R21 IonicContact OD2-CZ 3.54Å; D17-R21 IonicContact OD2-NE 2.74Å; D17-R21 IonicContact OD2-NH2 3.1Å; D17-R21 PolarHBondContact OD2-NH2 3.22Å
18	R	51.4	Low	48.2	Very low	221 Å²	221	122.3 Å²	122.3	83%	0.834	65%	0.652	S	S	*	*	H	α-helix	trans	-88.7	-21.5	169.4	-74.1	-171.8	174.8	175.5	-0.2	114.1	L16	L16-R18 PolarHBondContact O-N 3.2Å
19	L	49.3	Very low	48.3	Very low	136 Å²	136	122.7 Å²	122.7	71%	0.712	65%	0.652	S	S	*	*	H	α-helix	trans	-88	-26.6	-178.8	-83.7	159.1	0	0	0	113.6	L16	L16-L19 PolarHBondContact O-N 2.94Å
20	A	50	Low	48.5	Very low	72 Å²	72	122.7 Å²	122.7	60%	0.595	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-85.6	-13.8	-180	0	0	0	0	0	114.7	L16 N22	L16-A20 PolarHBondContact O-N 2.79Å; A20-N22 VanDerWaalsContact C-N 3.28Å; A20-N22 PolarHBondContact O-N 3.27Å
21	R	50.1	Low	48.5	Very low	192 Å²	192	120.9 Å²	120.9	73%	0.725	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-80.3	-2.5	177.6	-65.2	-173	-152	-167	4.5	114.1	D17	D17-R21 PolarHBondContact O-NE 2.87Å; D17-R21 IonicContact OD2-CZ 3.54Å; D17-R21 IonicContact OD2-NE 2.74Å; D17-R21 IonicContact OD2-NH2 3.1Å; D17-R21 PolarHBondContact OD2-NH2 3.22Å
22	N	48	Very low	48.9	Very low	150 Å²	150	122.2 Å²	122.2	80%	0.802	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-114.1	6.1	-176	-113.8	19.3	0	0	0	116.2	A20 L24	A20-N22 VanDerWaalsContact C-N 3.28Å; A20-N22 PolarHBondContact O-N 3.27Å; N22-L24 PolarHBondContact O-N 2.83Å
23	T	38	Very low	49.4	Very low	125 Å²	125	123.7 Å²	123.7	77%	0.767	65%	0.65	S	S	*	*	S	Bend	trans	-92.6	84.7	163.7	26.9	0	0	0	0	109.6	T25	T23-T25 PolarHBondContact O-N 3.48Å
24	L	39.6	Very low	50.2	Low	149 Å²	149	121.6 Å²	121.6	78%	0.78	64%	0.644	S	S	*	*			trans	-35	114.2	166.3	-163.3	71	0	0	0	112.7	N22 M26	N22-L24 PolarHBondContact O-N 2.83Å; L24-M26 PolarHBondContact O-N 2.96Å
25	T	43.7	Very low	51	Low	114 Å²	114	127.2 Å²	127.2	70%	0.699	65%	0.653	S	S	*	*			trans	20.3	70.3	133.5	66.5	0	0	0	0	116.4	T23	T23-T25 PolarHBondContact O-N 3.48Å
26	M	40.5	Very low	51.8	Low	141 Å²	141	128.4 Å²	128.4	70%	0.695	65%	0.651	S	S	*	*			trans	-96.3	105.3	149.8	-98.5	-163.4	72.9	0	0	106.6	L24 L28	L24-M26 PolarHBondContact O-N 2.96Å; M26-L28 HydrophobicContact CE-CD1 3.58Å; M26-L28 HydrophobicContact CE-CG 3.97Å; M26-L28 PolarHBondContact O-N 3.37Å
27	D	43.2	Very low	53.1	Low	163 Å²	163	125.6 Å²	125.6	87%	0.872	65%	0.645	S	S	*	*			trans	-65.5	71.2	170.1	-77.2	-37.9	0	0	0	109.9
28	L	47.7	Very low	54.1	Low	88 Å²	88	130.2 Å²	130.2	46%	0.461	66%	0.656	S	S	.	*			trans	-89.5	119.1	161.7	-84.8	157.6	0	0	0	106.6	M26 E30 A31	M26-L28 HydrophobicContact CE-CD1 3.58Å; M26-L28 HydrophobicContact CE-CG 3.97Å; M26-L28 PolarHBondContact O-N 3.37Å; L28-E30 PolarHBondContact O-N 3.16Å; L28-A31 PolarHBondContact O-N 2.79Å
29	P	55.7	Low	55.2	Low	99 Å²	99	124.2 Å²	124.2	64%	0.643	64%	0.637	S	S	*	*	H	α-helix	trans	-50.2	-26.4	176.7	-27.5	34.3	0	0	0	113.4	N33	P29-N33 PolarHBondContact O-N 3.41Å; P29-N33 VanDerWaalsContact O-N 3.09Å
30	E	54.9	Low	56.5	Low	148 Å²	148	122.6 Å²	122.6	69%	0.692	63%	0.626	S	S	*	*	H	α-helix	trans	-67.3	-32.3	175	-67.2	-179.7	168.8	0	0	114.1	L28 C34	L28-E30 PolarHBondContact O-N 3.16Å; E30-C34 WeakPolarHBondContact O-CB 3.49Å; E30-C34 PolarHBondContact O-N 2.74Å
31	A	53.8	Low	57.8	Low	56 Å²	56	122.4 Å²	122.4	46%	0.463	62%	0.62	S	S	.	*	H	α-helix	trans	-75.1	-35.7	179.1	0	0	0	0	0	112	L28 C34 R35	L28-A31 PolarHBondContact O-N 2.79Å; A31-C34 PolarHBondContact O-N 3.47Å; A31-R35 WeakPolarHBondContact O-CB 3.21Å; A31-R35 PolarHBondContact O-N 2.91Å
32	R	59.3	Low	59.2	Low	177 Å²	177	122.3 Å²	122.3	67%	0.668	62%	0.62	S	S	*	*	H	α-helix	trans	-65.9	-45.9	171.1	-172.6	175.7	177.6	170.9	0.8	110.7	C34 R35 E36	R32-C34 VanDerWaalsContact C-N 3.34Å; R32-C34 PolarHBondContact O-N 2.87Å; R32-R35 PolarHBondContact O-N 2.93Å; R32-E36 HydrophobicContact CG-CG 4.39Å; R32-E36 WeakPolarHBondContact CG-OE1 3.48Å; R32-E36 IonicContact CZ-OE1 3.71Å; R32-E36 IonicContact NE-OE1 2.88Å; R32-E36 PolarHBondContact NE-OE1 2.82Å; R32-E36 IonicContact NH2-OE1 3.65Å; R32-E36 WeakPolarHBondContact O-CB 3.4Å; R32-E36 WeakPolarHBondContact O-CG 3.42Å; R32-E36 PolarHBondContact O-N 3.45Å
33	N	63.5	Low	60.7	Low	104 Å²	104	120.4 Å²	120.4	56%	0.556	61%	0.605	S	S	*	*	H	α-helix	trans	-59.7	-41.5	173	-79.5	-7	0	0	0	112.2	P29 A37	P29-N33 PolarHBondContact O-N 3.41Å; P29-N33 VanDerWaalsContact O-N 3.09Å; N33-A37 WeakPolarHBondContact O-CB 3.44Å; N33-A37 PolarHBondContact O-N 3.24Å
34	C	65.5	Low	62.8	Low	69 Å²	69	119.7 Å²	119.7	47%	0.466	59%	0.592	S	S	.	*	H	α-helix	trans	-67	-36.8	175.9	-91.3	0	0	0	0	113.2	E30 A31 R32 R38	E30-C34 WeakPolarHBondContact O-CB 3.49Å; E30-C34 PolarHBondContact O-N 2.74Å; A31-C34 PolarHBondContact O-N 3.47Å; R32-C34 VanDerWaalsContact C-N 3.34Å; R32-C34 PolarHBondContact O-N 2.87Å; C34-R38 WeakPolarHBondContact O-CB 3.3Å; C34-R38 VanDerWaalsContact O-CG 3.29Å; C34-R38 WeakPolarHBondContact O-CG 2.98Å; C34-R38 PolarHBondContact O-N 3.49Å
35	R	68.3	Low	64.6	Low	195 Å²	195	117.1 Å²	117.1	74%	0.736	58%	0.578	S	S	*	*	H	α-helix	trans	-72	-47.2	177.7	-164.6	-177.2	-138.3	-143.8	6.1	111	A31 R32 A37 R38 E39	A31-R35 WeakPolarHBondContact O-CB 3.21Å; A31-R35 PolarHBondContact O-N 2.91Å; R32-R35 PolarHBondContact O-N 2.93Å; R35-A37 VanDerWaalsContact C-N 3.33Å; R35-R38 PolarHBondContact O-N 2.92Å; R35-E39 WeakPolarHBondContact O-CB 3.5Å; R35-E39 PolarHBondContact O-N 3.07Å
36	E	68.8	Low	66.4	Low	91 Å²	91	117.8 Å²	117.8	43%	0.425	57%	0.572	S	S	.	*	H	α-helix	trans	-61	-42.3	174.4	-74	175.5	-173.4	0	0	110.3	R32 R38 E39 Q40	R32-E36 HydrophobicContact CG-CG 4.39Å; R32-E36 WeakPolarHBondContact CG-OE1 3.48Å; R32-E36 IonicContact CZ-OE1 3.71Å; R32-E36 IonicContact NE-OE1 2.88Å; R32-E36 PolarHBondContact NE-OE1 2.82Å; R32-E36 IonicContact NH2-OE1 3.65Å; R32-E36 WeakPolarHBondContact O-CB 3.4Å; R32-E36 WeakPolarHBondContact O-CG 3.42Å; R32-E36 PolarHBondContact O-N 3.45Å; E36-R38 PolarHBondContact O-N 2.88Å; E36-E39 PolarHBondContact O-N 3.45Å; E36-Q40 WeakPolarHBondContact O-CB 3.31Å; E36-Q40 PolarHBondContact O-N 2.86Å
37	A	74.4	Confident	68.4	Low	58 Å²	58	114.3 Å²	114.3	48%	0.479	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-39.4	174.7	0	0	0	0	0	113.3	N33 R35 S41	N33-A37 WeakPolarHBondContact O-CB 3.44Å; N33-A37 PolarHBondContact O-N 3.24Å; R35-A37 VanDerWaalsContact C-N 3.33Å; A37-S41 WeakPolarHBondContact O-CB 3.47Å; A37-S41 PolarHBondContact O-N 3.17Å
38	R	70.5	Confident	70.2	Confident	186 Å²	186	111.9 Å²	111.9	70%	0.702	55%	0.546	S	S	*	.	H	α-helix	trans	-70.1	-38.8	175.5	-80.2	177.2	178.4	148.9	1.2	112.6	C34 R35 E36 R42	C34-R38 WeakPolarHBondContact O-CB 3.3Å; C34-R38 VanDerWaalsContact O-CG 3.29Å; C34-R38 WeakPolarHBondContact O-CG 2.98Å; C34-R38 PolarHBondContact O-N 3.49Å; R35-R38 PolarHBondContact O-N 2.92Å; E36-R38 PolarHBondContact O-N 2.88Å; R38-R42 PolarHBondContact O-N 3.48Å
39	E	74.1	Confident	71.9	Confident	96 Å²	96	111.6 Å²	111.6	45%	0.449	55%	0.545	S	S	.	.	H	α-helix	trans	-70.9	-39	177.2	-156.1	-170.3	145.7	0	0	110.8	R35 E36 R42 K43	R35-E39 WeakPolarHBondContact O-CB 3.5Å; R35-E39 PolarHBondContact O-N 3.07Å; E36-E39 PolarHBondContact O-N 3.45Å; E39-R42 PolarHBondContact O-N 2.88Å; E39-K43 WeakPolarHBondContact O-CB 3.43Å; E39-K43 VanDerWaalsContact O-CG 3.31Å; E39-K43 WeakPolarHBondContact O-CG 3.23Å; E39-K43 PolarHBondContact O-N 3.47Å; E39-K43 VanDerWaalsContact OE1-CE 3.27Å; E39-K43 WeakPolarHBondContact OE1-CE 3.39Å; E39-K43 IonicContact OE1-NZ 3.94Å; E39-K43 PolarHBondContact OE1-NZ 3.13Å
40	Q	77.6	Confident	73.4	Confident	101 Å²	101	113.2 Å²	113.2	47%	0.472	54%	0.543	S	S	.	.	H	α-helix	trans	-62.2	-47.5	171.4	-171.7	64.8	9.9	0	0	110.9	E36 R42 K43 E44	E36-Q40 WeakPolarHBondContact O-CB 3.31Å; E36-Q40 PolarHBondContact O-N 2.86Å; Q40-R42 VanDerWaalsContact C-N 3.34Å; Q40-R42 PolarHBondContact O-N 2.92Å; Q40-K43 PolarHBondContact O-N 3.31Å; Q40-E44 PolarHBondContact NE2-OE1 2.85Å; Q40-E44 WeakPolarHBondContact O-CB 3.41Å; Q40-E44 VanDerWaalsContact O-CG 3.29Å; Q40-E44 WeakPolarHBondContact O-CG 3.33Å; Q40-E44 PolarHBondContact O-N 3.38Å
41	S	77.2	Confident	74.9	Confident	68 Å²	68	112.1 Å²	112.1	48%	0.476	54%	0.536	S	S	.	.	H	α-helix	trans	-62.3	-37	176	-179.9	0	0	0	0	112.8	A37 M45	A37-S41 WeakPolarHBondContact O-CB 3.47Å; A37-S41 PolarHBondContact O-N 3.17Å; S41-M45 VanDerWaalsContact O-CB 3.29Å; S41-M45 WeakPolarHBondContact O-CB 3.5Å; S41-M45 PolarHBondContact O-N 3.38Å
42	R	79.5	Confident	76.5	Confident	191 Å²	191	113.6 Å²	113.6	72%	0.721	54%	0.536	S	S	*	.	H	α-helix	trans	-67.5	-44.4	171.5	-88.8	-171.3	-164.9	164.3	4.8	112.5	R38 E39 Q40 E44 M45 H46	R38-R42 PolarHBondContact O-N 3.48Å; E39-R42 PolarHBondContact O-N 2.88Å; Q40-R42 VanDerWaalsContact C-N 3.34Å; Q40-R42 PolarHBondContact O-N 2.92Å; R42-E44 VanDerWaalsContact C-N 3.29Å; R42-M45 PolarHBondContact O-N 2.87Å; R42-H46 VanDerWaalsContact O-CB 3.31Å; R42-H46 WeakPolarHBondContact O-CB 3.45Å; R42-H46 PolarHBondContact O-N 2.79Å
43	K	80.1	Confident	77.9	Confident	110 Å²	110	107.8 Å²	107.8	48%	0.478	53%	0.526	S	S	.	.	H	α-helix	trans	-60	-43.9	175.3	-76.3	170.5	-174.8	163.8	0	109.8	E39 Q40 H46 V47	E39-K43 WeakPolarHBondContact O-CB 3.43Å; E39-K43 VanDerWaalsContact O-CG 3.31Å; E39-K43 WeakPolarHBondContact O-CG 3.23Å; E39-K43 PolarHBondContact O-N 3.47Å; E39-K43 VanDerWaalsContact OE1-CE 3.27Å; E39-K43 WeakPolarHBondContact OE1-CE 3.39Å; E39-K43 IonicContact OE1-NZ 3.94Å; E39-K43 PolarHBondContact OE1-NZ 3.13Å; Q40-K43 PolarHBondContact O-N 3.31Å; K43-H46 PolarHBondContact O-N 3.39Å; K43-V47 WeakPolarHBondContact O-CB 3.37Å; K43-V47 WeakPolarHBondContact O-CG2 3.33Å; K43-V47 PolarHBondContact O-N 3.05Å
44	E	80.6	Confident	79	Confident	109 Å²	109	105.8 Å²	105.8	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-61	-46.7	173.8	-76.3	172.8	-171.1	0	0	111.9	Q40 R42 H46 V47 L48	Q40-E44 PolarHBondContact NE2-OE1 2.85Å; Q40-E44 WeakPolarHBondContact O-CB 3.41Å; Q40-E44 VanDerWaalsContact O-CG 3.29Å; Q40-E44 WeakPolarHBondContact O-CG 3.33Å; Q40-E44 PolarHBondContact O-N 3.38Å; R42-E44 VanDerWaalsContact C-N 3.29Å; E44-H46 VanDerWaalsContact C-N 3.34Å; E44-H46 PolarHBondContact O-N 3.45Å; E44-V47 CarbonylContact O-C 3.59Å; E44-V47 PolarHBondContact O-N 3.02Å; E44-L48 VanDerWaalsContact O-CB 3.26Å; E44-L48 WeakPolarHBondContact O-CB 3.41Å; E44-L48 PolarHBondContact O-N 3.2Å
45	M	77.6	Confident	80.1	Confident	96 Å²	96	108.3 Å²	108.3	47%	0.473	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-35.9	176.3	-174.3	-144.7	60	0	0	111.9	S41 R42 L48 N49	S41-M45 VanDerWaalsContact O-CB 3.29Å; S41-M45 WeakPolarHBondContact O-CB 3.5Å; S41-M45 PolarHBondContact O-N 3.38Å; R42-M45 PolarHBondContact O-N 2.87Å; M45-L48 PolarHBondContact O-N 3.29Å; M45-N49 VanDerWaalsContact O-CB 3.25Å; M45-N49 WeakPolarHBondContact O-CB 3.15Å; M45-N49 VanDerWaalsContact O-CG 3.23Å; M45-N49 PolarHBondContact O-N 2.99Å; M45-N49 PolarHBondContact O-ND2 3.43Å
46	H	80.9	Confident	81.2	Confident	127 Å²	127	103.7 Å²	103.7	59%	0.588	52%	0.515	S	S	*	.	H	α-helix	trans	-67.8	-43.5	175.8	-146.8	-64	0	0	0	110.9	R42 K43 E44 L48 N49 E50	R42-H46 VanDerWaalsContact O-CB 3.31Å; R42-H46 WeakPolarHBondContact O-CB 3.45Å; R42-H46 PolarHBondContact O-N 2.79Å; K43-H46 PolarHBondContact O-N 3.39Å; E44-H46 VanDerWaalsContact C-N 3.34Å; E44-H46 PolarHBondContact O-N 3.45Å; H46-L48 VanDerWaalsContact C-N 3.34Å; H46-N49 PolarHBondContact O-N 2.88Å; H46-E50 WeakPolarHBondContact O-CB 3.12Å; H46-E50 PolarHBondContact O-N 3.3Å
47	V	82.6	Confident	82	Confident	69 Å²	69	103.1 Å²	103.1	42%	0.418	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-39.5	172.6	169.1	0	0	0	0	110.8	K43 E44 E50 K51	K43-V47 WeakPolarHBondContact O-CB 3.37Å; K43-V47 WeakPolarHBondContact O-CG2 3.33Å; K43-V47 PolarHBondContact O-N 3.05Å; E44-V47 CarbonylContact O-C 3.59Å; E44-V47 PolarHBondContact O-N 3.02Å; V47-E50 PolarHBondContact O-N 3.4Å; V47-K51 HydrophobicContact CG1-CD 4.22Å; V47-K51 WeakPolarHBondContact O-CB 3.36Å; V47-K51 VanDerWaalsContact O-CG 3.24Å; V47-K51 WeakPolarHBondContact O-CG 3.29Å; V47-K51 PolarHBondContact O-N 2.96Å
48	L	81.7	Confident	82.9	Confident	112 Å²	112	106.6 Å²	106.6	59%	0.586	52%	0.516	S	S	*	.	H	α-helix	trans	-67.5	-42.8	177.7	-149.7	87	0	0	0	110.8	E44 M45 H46 K51 L52	E44-L48 VanDerWaalsContact O-CB 3.26Å; E44-L48 WeakPolarHBondContact O-CB 3.41Å; E44-L48 PolarHBondContact O-N 3.2Å; M45-L48 PolarHBondContact O-N 3.29Å; H46-L48 VanDerWaalsContact C-N 3.34Å; L48-K51 CarbonylContact O-C 3.58Å; L48-K51 WeakPolarHBondContact O-CB 3.42Å; L48-K51 PolarHBondContact O-N 2.96Å; L48-L52 WeakPolarHBondContact O-CB 3.45Å; L48-L52 PolarHBondContact O-N 3.28Å
49	N	84.4	Confident	83.9	Confident	82 Å²	82	103.8 Å²	103.8	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-68.6	-35.4	176.5	-77.1	-15.4	0	0	0	112.1	M45 H46 L52 A53	M45-N49 VanDerWaalsContact O-CB 3.25Å; M45-N49 WeakPolarHBondContact O-CB 3.15Å; M45-N49 VanDerWaalsContact O-CG 3.23Å; M45-N49 PolarHBondContact O-N 2.99Å; M45-N49 PolarHBondContact O-ND2 3.43Å; H46-N49 PolarHBondContact O-N 2.88Å; N49-L52 PolarHBondContact O-N 3.28Å; N49-A53 WeakPolarHBondContact O-CB 3.49Å; N49-A53 PolarHBondContact O-N 3.33Å
50	E	85.5	Confident	84.8	Confident	132 Å²	132	104.7 Å²	104.7	62%	0.617	51%	0.512	S	S	*	.	H	α-helix	trans	-65	-43.3	169.8	-110.3	-169	160.9	0	0	111.5	H46 V47 L52 A53 S54	H46-E50 WeakPolarHBondContact O-CB 3.12Å; H46-E50 PolarHBondContact O-N 3.3Å; V47-E50 PolarHBondContact O-N 3.4Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 2.91Å; E50-A53 PolarHBondContact O-N 2.98Å; E50-S54 VanDerWaalsContact O-CB 3.24Å; E50-S54 WeakPolarHBondContact O-CB 3.29Å; E50-S54 PolarHBondContact O-N 3.44Å
51	K	87.3	Confident	85.5	Confident	125 Å²	125	103.9 Å²	103.9	54%	0.543	51%	0.51	S	S	.	.	H	α-helix	trans	-61.4	-42.6	173.4	-76.4	173.4	-178.4	179.1	0	111	V47 L48 S54 Q55	V47-K51 HydrophobicContact CG1-CD 4.22Å; V47-K51 WeakPolarHBondContact O-CB 3.36Å; V47-K51 VanDerWaalsContact O-CG 3.24Å; V47-K51 WeakPolarHBondContact O-CG 3.29Å; V47-K51 PolarHBondContact O-N 2.96Å; L48-K51 CarbonylContact O-C 3.58Å; L48-K51 WeakPolarHBondContact O-CB 3.42Å; L48-K51 PolarHBondContact O-N 2.96Å; K51-S54 PolarHBondContact O-N 3.27Å; K51-Q55 WeakPolarHBondContact O-CB 3.49Å; K51-Q55 VanDerWaalsContact O-CG 3.24Å; K51-Q55 WeakPolarHBondContact O-CG 3.49Å; K51-Q55 PolarHBondContact O-N 2.93Å
52	L	86.9	Confident	86.2	Confident	88 Å²	88	105 Å²	105	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-66.6	-42.3	177.7	-160.1	105.3	0	0	0	110.9	L48 N49 E50 Q55 L56	L48-L52 WeakPolarHBondContact O-CB 3.45Å; L48-L52 PolarHBondContact O-N 3.28Å; N49-L52 PolarHBondContact O-N 3.28Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 2.91Å; L52-Q55 CarbonylContact O-C 3.59Å; L52-Q55 PolarHBondContact O-N 3.18Å; L52-L56 HydrophobicContact CD2-CD1 3.98Å; L52-L56 HydrophobicContact CG-CD1 4.47Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.49Å
53	A	88.1	Confident	86.8	Confident	55 Å²	55	99.5 Å²	99.5	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-40.4	174.3	0	0	0	0	0	111.5	N49 E50 Q55 L56 E57	N49-A53 WeakPolarHBondContact O-CB 3.49Å; N49-A53 PolarHBondContact O-N 3.33Å; E50-A53 PolarHBondContact O-N 2.98Å; A53-Q55 VanDerWaalsContact C-N 3.35Å; A53-L56 PolarHBondContact O-N 3.32Å; A53-E57 VanDerWaalsContact O-CB 3.3Å; A53-E57 WeakPolarHBondContact O-CB 3.14Å; A53-E57 PolarHBondContact O-N 2.87Å
54	S	88	Confident	87.3	Confident	62 Å²	62	99.3 Å²	99.3	43%	0.434	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-39.2	172.6	-179.2	0	0	0	0	111.7	E50 K51 K58	E50-S54 VanDerWaalsContact O-CB 3.24Å; E50-S54 WeakPolarHBondContact O-CB 3.29Å; E50-S54 PolarHBondContact O-N 3.44Å; K51-S54 PolarHBondContact O-N 3.27Å; S54-K58 VanDerWaalsContact O-CB 3.29Å; S54-K58 WeakPolarHBondContact O-CB 3.33Å; S54-K58 WeakPolarHBondContact O-CG 3.37Å; S54-K58 PolarHBondContact O-N 3.33Å
55	Q	89.1	Confident	87.9	Confident	121 Å²	121	99 Å²	99	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-69.6	-39.8	174.7	-77.4	176.6	-7.5	0	0	112.2	K51 L52 A53 K58 M59	K51-Q55 WeakPolarHBondContact O-CB 3.49Å; K51-Q55 VanDerWaalsContact O-CG 3.24Å; K51-Q55 WeakPolarHBondContact O-CG 3.49Å; K51-Q55 PolarHBondContact O-N 2.93Å; L52-Q55 CarbonylContact O-C 3.59Å; L52-Q55 PolarHBondContact O-N 3.18Å; A53-Q55 VanDerWaalsContact C-N 3.35Å; Q55-K58 PolarHBondContact O-N 3.36Å; Q55-M59 WeakPolarHBondContact O-CB 3.49Å; Q55-M59 WeakPolarHBondContact O-CG 3.44Å; Q55-M59 PolarHBondContact O-N 2.87Å
56	L	89.7	Confident	88.7	Confident	99 Å²	99	98.8 Å²	98.8	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-67.2	-42.1	175.2	-77.1	171.6	0	0	0	111.1	L52 A53 M59 R60	L52-L56 HydrophobicContact CD2-CD1 3.98Å; L52-L56 HydrophobicContact CG-CD1 4.47Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.49Å; A53-L56 PolarHBondContact O-N 3.32Å; L56-M59 CarbonylContact O-C 3.58Å; L56-M59 PolarHBondContact O-N 3.23Å; L56-R60 WeakPolarHBondContact O-CB 3.16Å; L56-R60 PolarHBondContact O-N 3.47Å
57	E	86.6	Confident	89.3	Confident	79 Å²	79	99.4 Å²	99.4	37%	0.369	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-39.4	174.6	-173.4	58.3	-159.9	0	0	110.7	A53 M59 R60 I61	A53-E57 VanDerWaalsContact O-CB 3.3Å; A53-E57 WeakPolarHBondContact O-CB 3.14Å; A53-E57 PolarHBondContact O-N 2.87Å; E57-M59 PolarHBondContact O-N 2.93Å; E57-R60 WeakPolarHBondContact O-CB 3.24Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-R60 IonicContact OE1-CZ 2.62Å; E57-R60 IonicContact OE1-NE 3.48Å; E57-R60 PolarHBondContact OE1-NE 2.9Å; E57-R60 IonicContact OE1-NH2 3.08Å; E57-R60 PolarHBondContact OE1-NH2 3.27Å; E57-R60 IonicContact OE2-CZ 3.77Å; E57-R60 IonicContact OE2-NE 3.02Å; E57-R60 PolarHBondContact OE2-NE 3Å; E57-R60 IonicContact OE2-NH2 2.87Å; E57-I61 HydrophobicContact CG-CD1 3.96Å; E57-I61 HydrophobicContact CG-CG1 4.42Å; E57-I61 WeakPolarHBondContact O-CB 3.45Å; E57-I61 VanDerWaalsContact O-CG1 3.24Å; E57-I61 WeakPolarHBondContact O-CG1 3.27Å; E57-I61 PolarHBondContact O-N 3.18Å
58	K	92	Very high	89.9	Confident	131 Å²	131	102.6 Å²	102.6	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-59.6	-44.7	168.8	-83.7	-179.9	179.3	-179.8	0	111.8	S54 Q55 R60 I61 L62	S54-K58 VanDerWaalsContact O-CB 3.29Å; S54-K58 WeakPolarHBondContact O-CB 3.33Å; S54-K58 WeakPolarHBondContact O-CG 3.37Å; S54-K58 PolarHBondContact O-N 3.33Å; Q55-K58 PolarHBondContact O-N 3.36Å; K58-R60 VanDerWaalsContact C-N 3.3Å; K58-R60 PolarHBondContact O-N 3.12Å; K58-I61 PolarHBondContact O-N 3.14Å; K58-L62 WeakPolarHBondContact O-CB 3.19Å; K58-L62 WeakPolarHBondContact O-CD1 3.49Å; K58-L62 WeakPolarHBondContact O-CG 3.05Å; K58-L62 PolarHBondContact O-N 3.29Å
59	M	92.9	Very high	90.4	Very high	127 Å²	127	101.1 Å²	101.1	63%	0.626	50%	0.503	S	S	*	.	H	α-helix	trans	-63.6	-36.2	175.5	-79.3	-126.9	-63.6	0	0	111.7	Q55 L56 E57 S63	Q55-M59 WeakPolarHBondContact O-CB 3.49Å; Q55-M59 WeakPolarHBondContact O-CG 3.44Å; Q55-M59 PolarHBondContact O-N 2.87Å; L56-M59 CarbonylContact O-C 3.58Å; L56-M59 PolarHBondContact O-N 3.23Å; E57-M59 PolarHBondContact O-N 2.93Å; M59-S63 WeakPolarHBondContact O-CA 3.36Å; M59-S63 WeakPolarHBondContact O-CB 3.42Å; M59-S63 PolarHBondContact O-N 2.93Å
60	R	91.9	Very high	90.9	Very high	114 Å²	114	103.9 Å²	103.9	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-67	-50.6	176.1	-165.8	-174.9	79.8	73.8	7.4	110.7	L56 E57 K58 L62 S63 E64	L56-R60 WeakPolarHBondContact O-CB 3.16Å; L56-R60 PolarHBondContact O-N 3.47Å; E57-R60 WeakPolarHBondContact O-CB 3.24Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-R60 IonicContact OE1-CZ 2.62Å; E57-R60 IonicContact OE1-NE 3.48Å; E57-R60 PolarHBondContact OE1-NE 2.9Å; E57-R60 IonicContact OE1-NH2 3.08Å; E57-R60 PolarHBondContact OE1-NH2 3.27Å; E57-R60 IonicContact OE2-CZ 3.77Å; E57-R60 IonicContact OE2-NE 3.02Å; E57-R60 PolarHBondContact OE2-NE 3Å; E57-R60 IonicContact OE2-NH2 2.87Å; K58-R60 VanDerWaalsContact C-N 3.3Å; K58-R60 PolarHBondContact O-N 3.12Å; R60-L62 VanDerWaalsContact C-N 3.34Å; R60-L62 PolarHBondContact O-N 3.38Å; R60-S63 WeakPolarHBondContact O-CB 3.49Å; R60-S63 PolarHBondContact O-N 3.1Å; R60-S63 VanDerWaalsContact O-N 3.17Å; R60-E64 IonicContact CZ-OE2 3.75Å; R60-E64 IonicContact NH1-OE1 2.77Å; R60-E64 PolarHBondContact NH1-OE1 2.91Å; R60-E64 IonicContact NH1-OE2 2.85Å; R60-E64 PolarHBondContact NH1-OE2 3.42Å; R60-E64 IonicContact NH2-OE2 2.75Å; R60-E64 WeakPolarHBondContact O-CB 3.4Å; R60-E64 PolarHBondContact O-N 3.25Å
61	I	93.5	Very high	91.2	Very high	85 Å²	85	102.2 Å²	102.2	44%	0.436	51%	0.51	S	S	.	.	H	α-helix	trans	-59.5	-45.9	175.5	-66.9	165.7	0	0	0	110	E57 K58 S63 E64 Q65	E57-I61 HydrophobicContact CG-CD1 3.96Å; E57-I61 HydrophobicContact CG-CG1 4.42Å; E57-I61 WeakPolarHBondContact O-CB 3.45Å; E57-I61 VanDerWaalsContact O-CG1 3.24Å; E57-I61 WeakPolarHBondContact O-CG1 3.27Å; E57-I61 PolarHBondContact O-N 3.18Å; K58-I61 PolarHBondContact O-N 3.14Å; I61-S63 VanDerWaalsContact C-N 3.34Å; I61-S63 PolarHBondContact O-N 3.14Å; I61-E64 PolarHBondContact O-N 3.36Å; I61-Q65 WeakPolarHBondContact O-CB 3.49Å; I61-Q65 PolarHBondContact O-N 3.17Å
62	L	91.9	Very high	91.5	Very high	90 Å²	90	99.6 Å²	99.6	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-64.9	-37.1	176.5	-74.8	169.6	0	0	0	111.9	K58 R60 N66	K58-L62 WeakPolarHBondContact O-CB 3.19Å; K58-L62 WeakPolarHBondContact O-CD1 3.49Å; K58-L62 WeakPolarHBondContact O-CG 3.05Å; K58-L62 PolarHBondContact O-N 3.29Å; R60-L62 VanDerWaalsContact C-N 3.34Å; R60-L62 PolarHBondContact O-N 3.38Å; L62-N66 WeakPolarHBondContact O-CB 3.46Å; L62-N66 PolarHBondContact O-N 3.42Å; L62-N66 PolarHBondContact O-ND2 3.4Å
63	S	91.3	Very high	91.7	Very high	77 Å²	77	99.9 Å²	99.9	54%	0.538	50%	0.504	S	S	.	.	H	α-helix	trans	-67.4	-45.6	175.6	178.2	0	0	0	0	111.6	M59 R60 I61 N66 K67	M59-S63 WeakPolarHBondContact O-CA 3.36Å; M59-S63 WeakPolarHBondContact O-CB 3.42Å; M59-S63 PolarHBondContact O-N 2.93Å; R60-S63 WeakPolarHBondContact O-CB 3.49Å; R60-S63 PolarHBondContact O-N 3.1Å; R60-S63 VanDerWaalsContact O-N 3.17Å; I61-S63 VanDerWaalsContact C-N 3.34Å; I61-S63 PolarHBondContact O-N 3.14Å; S63-N66 PolarHBondContact O-N 3.33Å; S63-K67 VanDerWaalsContact O-CB 3.3Å; S63-K67 WeakPolarHBondContact O-CB 3.29Å; S63-K67 PolarHBondContact O-N 2.87Å
64	E	91.7	Very high	92	Very high	106 Å²	106	98.5 Å²	98.5	50%	0.495	50%	0.495	S	S	.	.	H	α-helix	trans	-63.9	-41.8	174.4	-105.2	164.6	-170.8	0	0	111.5	R60 I61 K67 K68	R60-E64 IonicContact CZ-OE2 3.75Å; R60-E64 IonicContact NH1-OE1 2.77Å; R60-E64 PolarHBondContact NH1-OE1 2.91Å; R60-E64 IonicContact NH1-OE2 2.85Å; R60-E64 PolarHBondContact NH1-OE2 3.42Å; R60-E64 IonicContact NH2-OE2 2.75Å; R60-E64 WeakPolarHBondContact O-CB 3.4Å; R60-E64 PolarHBondContact O-N 3.25Å; I61-E64 PolarHBondContact O-N 3.36Å; E64-K67 PolarHBondContact O-N 2.95Å; E64-K68 WeakPolarHBondContact O-CB 3.49Å; E64-K68 PolarHBondContact O-N 2.68Å
65	Q	93.2	Very high	92.2	Very high	102 Å²	102	98.3 Å²	98.3	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-44.4	175.6	-172.9	176.1	6.6	0	0	110.9	I61 K67 K68 L69	I61-Q65 WeakPolarHBondContact O-CB 3.49Å; I61-Q65 PolarHBondContact O-N 3.17Å; Q65-K67 VanDerWaalsContact C-N 3.32Å; Q65-K67 PolarHBondContact O-N 3.01Å; Q65-K68 PolarHBondContact O-N 3.12Å; Q65-L69 HydrophobicContact CG-CD1 4.18Å; Q65-L69 HydrophobicContact CG-CG 4.48Å; Q65-L69 WeakPolarHBondContact O-CB 3.41Å; Q65-L69 VanDerWaalsContact O-CG 3.25Å; Q65-L69 WeakPolarHBondContact O-CG 3.28Å; Q65-L69 PolarHBondContact O-N 3.41Å
66	N	93.2	Very high	92.4	Very high	92 Å²	92	96.8 Å²	96.8	49%	0.492	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-40	174.3	-79.3	-21.2	0	0	0	111.4	L62 S63 L69 M70	L62-N66 WeakPolarHBondContact O-CB 3.46Å; L62-N66 PolarHBondContact O-N 3.42Å; L62-N66 PolarHBondContact O-ND2 3.4Å; S63-N66 PolarHBondContact O-N 3.33Å; N66-L69 PolarHBondContact O-N 3.02Å; N66-M70 WeakPolarHBondContact O-CB 3.41Å; N66-M70 VanDerWaalsContact O-CG 3.29Å; N66-M70 WeakPolarHBondContact O-CG 3.45Å; N66-M70 PolarHBondContact O-N 3.03Å
67	K	94.7	Very high	92.6	Very high	140 Å²	140	96.9 Å²	96.9	61%	0.609	49%	0.49	S	S	*	.	H	α-helix	trans	-64.7	-41.8	175.1	-172.7	177.2	-178	179.4	0	111.5	S63 E64 Q65 M70 N71	S63-K67 VanDerWaalsContact O-CB 3.3Å; S63-K67 WeakPolarHBondContact O-CB 3.29Å; S63-K67 PolarHBondContact O-N 2.87Å; E64-K67 PolarHBondContact O-N 2.95Å; Q65-K67 VanDerWaalsContact C-N 3.32Å; Q65-K67 PolarHBondContact O-N 3.01Å; K67-M70 PolarHBondContact O-N 3.41Å; K67-N71 VanDerWaalsContact O-CG 3.31Å; K67-N71 PolarHBondContact O-N 2.62Å
68	K	94.4	Very high	92.9	Very high	135 Å²	135	102 Å²	102	59%	0.587	51%	0.505	S	S	*	.	H	α-helix	trans	-62.1	-49.4	173.5	-173.4	-178.8	177.5	-176	0	110.7	E64 Q65 M70 N71 D72	E64-K68 WeakPolarHBondContact O-CB 3.49Å; E64-K68 PolarHBondContact O-N 2.68Å; Q65-K68 PolarHBondContact O-N 3.12Å; K68-M70 VanDerWaalsContact C-N 3.28Å; K68-M70 PolarHBondContact O-N 3.41Å; K68-N71 CarbonylContact O-C 3.55Å; K68-N71 WeakPolarHBondContact O-CB 3.24Å; K68-N71 PolarHBondContact O-N 3.44Å; K68-N71 VanDerWaalsContact O-N 3.08Å; K68-D72 WeakPolarHBondContact O-CB 3.41Å; K68-D72 PolarHBondContact O-N 3.39Å
69	L	93	Very high	93	Very high	82 Å²	82	101.3 Å²	101.3	43%	0.429	51%	0.507	S	S	.	.	H	α-helix	trans	-59.4	-37.3	175.7	-72.6	171.9	0	0	0	112.2	Q65 N66 N73	Q65-L69 HydrophobicContact CG-CD1 4.18Å; Q65-L69 HydrophobicContact CG-CG 4.48Å; Q65-L69 WeakPolarHBondContact O-CB 3.41Å; Q65-L69 VanDerWaalsContact O-CG 3.25Å; Q65-L69 WeakPolarHBondContact O-CG 3.28Å; Q65-L69 PolarHBondContact O-N 3.41Å; N66-L69 PolarHBondContact O-N 3.02Å; L69-N73 VanDerWaalsContact O-CB 3.23Å; L69-N73 WeakPolarHBondContact O-CB 3.41Å; L69-N73 PolarHBondContact O-N 3.48Å
70	M	93.5	Very high	93.1	Very high	140 Å²	140	97.9 Å²	97.9	69%	0.69	50%	0.496	S	S	*	.	H	α-helix	trans	-65.8	-43	173.2	-80.2	-176.4	68.7	0	0	112.1	N66 K67 K68 G74	N66-M70 WeakPolarHBondContact O-CB 3.41Å; N66-M70 VanDerWaalsContact O-CG 3.29Å; N66-M70 WeakPolarHBondContact O-CG 3.45Å; N66-M70 PolarHBondContact O-N 3.03Å; K67-M70 PolarHBondContact O-N 3.41Å; K68-M70 VanDerWaalsContact C-N 3.28Å; K68-M70 PolarHBondContact O-N 3.41Å; M70-G74 PolarHBondContact O-N 3.35Å
71	N	92.1	Very high	93.2	Very high	97 Å²	97	99.5 Å²	99.5	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-65.7	-41.7	176.1	-73.4	-11.8	0	0	0	111.6	K67 K68 G74 S75	K67-N71 VanDerWaalsContact O-CG 3.31Å; K67-N71 PolarHBondContact O-N 2.62Å; K68-N71 CarbonylContact O-C 3.55Å; K68-N71 WeakPolarHBondContact O-CB 3.24Å; K68-N71 PolarHBondContact O-N 3.44Å; K68-N71 VanDerWaalsContact O-N 3.08Å; N71-G74 PolarHBondContact O-N 2.93Å; N71-S75 WeakPolarHBondContact O-CB 3.39Å; N71-S75 PolarHBondContact O-N 3.22Å; N71-S75 PolarHBondContact O-OG 2.9Å
72	D	93.5	Very high	93.2	Very high	69 Å²	69	99.6 Å²	99.6	37%	0.369	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-47.4	176.5	-67.2	-12.6	0	0	0	109.7	K68 G74 S75 I76	K68-D72 WeakPolarHBondContact O-CB 3.41Å; K68-D72 PolarHBondContact O-N 3.39Å; D72-G74 VanDerWaalsContact C-N 3.32Å; D72-G74 PolarHBondContact O-N 2.92Å; D72-S75 WeakPolarHBondContact O-CB 3.28Å; D72-S75 PolarHBondContact O-N 3.46Å; D72-S75 VanDerWaalsContact O-N 3.12Å; D72-I76 WeakPolarHBondContact O-CB 3.28Å; D72-I76 VanDerWaalsContact O-CG1 3.29Å; D72-I76 WeakPolarHBondContact O-CG1 3.42Å; D72-I76 PolarHBondContact O-N 3.17Å
73	N	92.2	Very high	93.4	Very high	95 Å²	95	98.3 Å²	98.3	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-60.9	-38.2	173	-83.6	-6.2	0	0	0	112.6	L69 S75 N77	L69-N73 VanDerWaalsContact O-CB 3.23Å; L69-N73 WeakPolarHBondContact O-CB 3.41Å; L69-N73 PolarHBondContact O-N 3.48Å; N73-S75 VanDerWaalsContact C-N 3.31Å; N73-N77 VanDerWaalsContact O-CB 3.26Å; N73-N77 WeakPolarHBondContact O-CB 3.49Å; N73-N77 VanDerWaalsContact O-CG 3.28Å; N73-N77 PolarHBondContact O-N 2.98Å; N73-N77 PolarHBondContact O-ND2 3.07Å
74	G	93.6	Very high	93.6	Very high	26 Å²	26	99.5 Å²	99.5	27%	0.268	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-36.3	174.7	0	0	0	0	0	112.5	M70 N71 D72 R78	M70-G74 PolarHBondContact O-N 3.35Å; N71-G74 PolarHBondContact O-N 2.93Å; D72-G74 VanDerWaalsContact C-N 3.32Å; D72-G74 PolarHBondContact O-N 2.92Å; G74-R78 WeakPolarHBondContact O-CG 3.48Å; G74-R78 PolarHBondContact O-N 2.8Å; G74-R78 VanDerWaalsContact O-N 3.13Å
75	S	92.2	Very high	93.7	Very high	57 Å²	57	100.1 Å²	100.1	40%	0.399	50%	0.499	S	S	.	.	H	α-helix	trans	-73.1	-45.3	176.3	-56	0	0	0	0	111	N71 D72 N73 N77 R78 L79	N71-S75 WeakPolarHBondContact O-CB 3.39Å; N71-S75 PolarHBondContact O-N 3.22Å; N71-S75 PolarHBondContact O-OG 2.9Å; D72-S75 WeakPolarHBondContact O-CB 3.28Å; D72-S75 PolarHBondContact O-N 3.46Å; D72-S75 VanDerWaalsContact O-N 3.12Å; N73-S75 VanDerWaalsContact C-N 3.31Å; S75-N77 VanDerWaalsContact C-N 3.33Å; S75-N77 PolarHBondContact O-N 2.78Å; S75-R78 PolarHBondContact O-N 2.86Å; S75-L79 WeakPolarHBondContact O-CG 3.36Å; S75-L79 PolarHBondContact O-N 3.44Å
76	I	93.3	Very high	93.8	Very high	90 Å²	90	98.3 Å²	98.3	46%	0.462	49%	0.492	S	S	.	.	H	α-helix	trans	-57.4	-45.6	172.3	-70.6	162.9	0	0	0	110.3	D72 R78 L79 S80	D72-I76 WeakPolarHBondContact O-CB 3.28Å; D72-I76 VanDerWaalsContact O-CG1 3.29Å; D72-I76 WeakPolarHBondContact O-CG1 3.42Å; D72-I76 PolarHBondContact O-N 3.17Å; I76-R78 VanDerWaalsContact C-N 3.34Å; I76-R78 PolarHBondContact O-N 3.5Å; I76-L79 PolarHBondContact O-N 3.31Å; I76-S80 VanDerWaalsContact O-CB 3.3Å; I76-S80 WeakPolarHBondContact O-CB 3.42Å; I76-S80 PolarHBondContact O-N 2.88Å; I76-S80 PolarHBondContact O-OG 2.95Å
77	N	93.6	Very high	93.9	Very high	101 Å²	101	100.2 Å²	100.2	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-64	-37.2	178.1	-82.1	-19.8	0	0	0	112.8	N73 S75 K81	N73-N77 VanDerWaalsContact O-CB 3.26Å; N73-N77 WeakPolarHBondContact O-CB 3.49Å; N73-N77 VanDerWaalsContact O-CG 3.28Å; N73-N77 PolarHBondContact O-N 2.98Å; N73-N77 PolarHBondContact O-ND2 3.07Å; S75-N77 VanDerWaalsContact C-N 3.33Å; S75-N77 PolarHBondContact O-N 2.78Å; N77-K81 WeakPolarHBondContact O-CG 3.33Å; N77-K81 PolarHBondContact O-N 3.33Å
78	R	93.3	Very high	94	Very high	185 Å²	185	96.6 Å²	96.6	70%	0.698	48%	0.484	S	S	*	.	H	α-helix	trans	-65.2	-47.8	173.4	-78.6	-175.5	-111.9	-169.3	-3.9	111.3	G74 S75 I76 S80 K81 E82	G74-R78 WeakPolarHBondContact O-CG 3.48Å; G74-R78 PolarHBondContact O-N 2.8Å; G74-R78 VanDerWaalsContact O-N 3.13Å; S75-R78 PolarHBondContact O-N 2.86Å; I76-R78 VanDerWaalsContact C-N 3.34Å; I76-R78 PolarHBondContact O-N 3.5Å; R78-S80 VanDerWaalsContact C-N 3.33Å; R78-S80 PolarHBondContact O-N 2.86Å; R78-K81 PolarHBondContact O-N 3.26Å; R78-E82 PolarHBondContact O-N 3.31Å
79	L	93.9	Very high	94.1	Very high	117 Å²	117	95.1 Å²	95.1	61%	0.613	48%	0.481	S	S	*	.	H	α-helix	trans	-61.3	-41.4	176	-68	175.1	0	0	0	111.4	S75 I76 K81 E82 T83	S75-L79 WeakPolarHBondContact O-CG 3.36Å; S75-L79 PolarHBondContact O-N 3.44Å; I76-L79 PolarHBondContact O-N 3.31Å; L79-K81 PolarHBondContact O-N 2.89Å; L79-E82 PolarHBondContact O-N 2.96Å; L79-T83 WeakPolarHBondContact O-CB 3.46Å; L79-T83 PolarHBondContact O-N 3.49Å; L79-T83 PolarHBondContact O-OG1 3.27Å
80	S	94.6	Very high	94.2	Very high	56 Å²	56	98.9 Å²	98.9	39%	0.392	49%	0.49	S	S	.	.	H	α-helix	trans	-62.1	-41.7	176.3	-69.6	0	0	0	0	112	I76 R78 E84	I76-S80 VanDerWaalsContact O-CB 3.3Å; I76-S80 WeakPolarHBondContact O-CB 3.42Å; I76-S80 PolarHBondContact O-N 2.88Å; I76-S80 PolarHBondContact O-OG 2.95Å; R78-S80 VanDerWaalsContact C-N 3.33Å; R78-S80 PolarHBondContact O-N 2.86Å; S80-E84 WeakPolarHBondContact O-CB 3.17Å; S80-E84 PolarHBondContact O-N 2.8Å
81	K	94.5	Very high	94.3	Very high	147 Å²	147	96 Å²	96	64%	0.639	48%	0.478	S	S	*	.	H	α-helix	trans	-65.3	-42.8	174.6	-75.5	176.9	-179.2	-175.8	0	112.2	N77 R78 L79 E84 K85	N77-K81 WeakPolarHBondContact O-CG 3.33Å; N77-K81 PolarHBondContact O-N 3.33Å; R78-K81 PolarHBondContact O-N 3.26Å; L79-K81 PolarHBondContact O-N 2.89Å; K81-E84 PolarHBondContact O-N 2.89Å; K81-K85 WeakPolarHBondContact O-CG 3.45Å; K81-K85 PolarHBondContact O-N 3.1Å
82	E	94.4	Very high	94.5	Very high	88 Å²	88	94.4 Å²	94.4	41%	0.411	47%	0.472	S	S	.	.	H	α-helix	trans	-67.6	-41.4	177.7	-164.6	58.2	-153.7	0	0	111.4	R78 L79 E84 K85 I86	R78-E82 PolarHBondContact O-N 3.31Å; L79-E82 PolarHBondContact O-N 2.96Å; E82-E84 VanDerWaalsContact C-N 3.27Å; E82-E84 PolarHBondContact O-N 2.91Å; E82-K85 PolarHBondContact O-N 3.46Å; E82-K85 IonicContact OE2-NZ 3.93Å; E82-K85 PolarHBondContact OE2-NZ 3.22Å; E82-K85 VanDerWaalsContact OE2-NZ 3.14Å; E82-I86 HydrophobicContact CG-CD1 4.21Å; E82-I86 WeakPolarHBondContact O-CB 3.26Å; E82-I86 VanDerWaalsContact O-CG1 3.26Å; E82-I86 WeakPolarHBondContact O-CG1 3.47Å; E82-I86 PolarHBondContact O-N 3.44Å
83	T	95.2	Very high	94.6	Very high	62 Å²	62	95.8 Å²	95.8	38%	0.38	48%	0.476	S	S	.	.	H	α-helix	trans	-61.5	-37.2	172.6	-46.4	0	0	0	0	111	L79 I86 R87	L79-T83 WeakPolarHBondContact O-CB 3.46Å; L79-T83 PolarHBondContact O-N 3.49Å; L79-T83 PolarHBondContact O-OG1 3.27Å; T83-I86 PolarHBondContact O-N 2.97Å; T83-R87 VanDerWaalsContact CG2-NH1 3.25Å; T83-R87 WeakPolarHBondContact O-CB 3.42Å; T83-R87 WeakPolarHBondContact O-CG 3.37Å; T83-R87 PolarHBondContact O-N 2.95Å
84	E	94.8	Very high	94.8	Very high	102 Å²	102	95.5 Å²	95.5	48%	0.477	47%	0.474	S	S	.	.	H	α-helix	trans	-68.4	-40.3	175.7	-169.9	57.9	-151.2	0	0	112.4	S80 K81 E82 R87 S88	S80-E84 WeakPolarHBondContact O-CB 3.17Å; S80-E84 PolarHBondContact O-N 2.8Å; K81-E84 PolarHBondContact O-N 2.89Å; E82-E84 VanDerWaalsContact C-N 3.27Å; E82-E84 PolarHBondContact O-N 2.91Å; E84-R87 PolarHBondContact O-N 2.9Å; E84-R87 IonicContact OE2-CZ 2.87Å; E84-R87 IonicContact OE2-NE 3.93Å; E84-R87 PolarHBondContact OE2-NE 3.21Å; E84-R87 IonicContact OE2-NH2 3.44Å; E84-R87 PolarHBondContact OE2-NH2 3.39Å; E84-S88 VanDerWaalsContact O-CB 3.25Å; E84-S88 WeakPolarHBondContact O-CB 3.32Å; E84-S88 PolarHBondContact O-N 3.44Å
85	K	94.8	Very high	94.9	Very high	119 Å²	119	100.2 Å²	100.2	52%	0.517	49%	0.487	S	S	.	.	H	α-helix	trans	-61.8	-45.5	171.7	-70.3	176.1	-169	166.9	0	111.4	K81 E82 S88 M89	K81-K85 WeakPolarHBondContact O-CG 3.45Å; K81-K85 PolarHBondContact O-N 3.1Å; E82-K85 PolarHBondContact O-N 3.46Å; E82-K85 IonicContact OE2-NZ 3.93Å; E82-K85 PolarHBondContact OE2-NZ 3.22Å; E82-K85 VanDerWaalsContact OE2-NZ 3.14Å; K85-S88 WeakPolarHBondContact O-CB 3.36Å; K85-S88 PolarHBondContact O-N 3.48Å; K85-S88 VanDerWaalsContact O-N 3.15Å; K85-M89 WeakPolarHBondContact O-CG 3.37Å; K85-M89 PolarHBondContact O-N 2.9Å
86	I	95.2	Very high	95.1	Very high	64 Å²	64	102.7 Å²	102.7	33%	0.328	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-45.4	177.2	-69	166.7	0	0	0	110.4	E82 T83 S88 M89 Y90	E82-I86 HydrophobicContact CG-CD1 4.21Å; E82-I86 WeakPolarHBondContact O-CB 3.26Å; E82-I86 VanDerWaalsContact O-CG1 3.26Å; E82-I86 WeakPolarHBondContact O-CG1 3.47Å; E82-I86 PolarHBondContact O-N 3.44Å; T83-I86 PolarHBondContact O-N 2.97Å; I86-S88 VanDerWaalsContact C-N 3.32Å; I86-S88 PolarHBondContact O-N 2.68Å; I86-M89 HydrophobicContact CB-CE 4.48Å; I86-M89 HydrophobicContact CG1-CE 4.05Å; I86-M89 PolarHBondContact O-N 2.95Å; I86-Y90 HydrophobicContact CG2-CD2 3.5Å; I86-Y90 VanDerWaalsContact CG2-CD2 3.5Å; I86-Y90 HydrophobicContact CG2-CE2 3.28Å; I86-Y90 VanDerWaalsContact O-CD2 3.23Å; I86-Y90 WeakPolarHBondContact O-CD2 3.44Å; I86-Y90 PolarHBondContact O-N 3.48Å
87	R	96	Very high	95.2	Very high	132 Å²	132	103.2 Å²	103.2	50%	0.498	50%	0.495	S	S	.	.	H	α-helix	trans	-58.6	-43.3	172.3	-80.6	-169.1	-68.5	-99.9	0.8	111.8	T83 E84 Y90 N91	T83-R87 VanDerWaalsContact CG2-NH1 3.25Å; T83-R87 WeakPolarHBondContact O-CB 3.42Å; T83-R87 WeakPolarHBondContact O-CG 3.37Å; T83-R87 PolarHBondContact O-N 2.95Å; E84-R87 PolarHBondContact O-N 2.9Å; E84-R87 IonicContact OE2-CZ 2.87Å; E84-R87 IonicContact OE2-NE 3.93Å; E84-R87 PolarHBondContact OE2-NE 3.21Å; E84-R87 IonicContact OE2-NH2 3.44Å; E84-R87 PolarHBondContact OE2-NH2 3.39Å; R87-Y90 PolarHBondContact O-N 3.43Å; R87-N91 WeakPolarHBondContact O-CB 3.36Å; R87-N91 PolarHBondContact O-N 3.02Å
88	S	95.9	Very high	95.4	Very high	64 Å²	64	106.1 Å²	106.1	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-47.4	178.4	-174.3	0	0	0	0	111.4	E84 K85 I86 N91 T92	E84-S88 VanDerWaalsContact O-CB 3.25Å; E84-S88 WeakPolarHBondContact O-CB 3.32Å; E84-S88 PolarHBondContact O-N 3.44Å; K85-S88 WeakPolarHBondContact O-CB 3.36Å; K85-S88 PolarHBondContact O-N 3.48Å; K85-S88 VanDerWaalsContact O-N 3.15Å; I86-S88 VanDerWaalsContact C-N 3.32Å; I86-S88 PolarHBondContact O-N 2.68Å; S88-N91 WeakPolarHBondContact O-CB 3.11Å; S88-N91 PolarHBondContact O-N 2.85Å; S88-T92 PolarHBondContact O-N 3.2Å; S88-T92 PolarHBondContact O-OG1 3.36Å
89	M	96	Very high	95.5	Very high	105 Å²	105	102.2 Å²	102.2	52%	0.517	49%	0.489	S	S	.	.	H	α-helix	trans	-61.4	-49.4	175.5	-68.8	-173.7	-56.6	0	0	111.5	K85 I86 N91 T92 E93	K85-M89 WeakPolarHBondContact O-CG 3.37Å; K85-M89 PolarHBondContact O-N 2.9Å; I86-M89 HydrophobicContact CB-CE 4.48Å; I86-M89 HydrophobicContact CG1-CE 4.05Å; I86-M89 PolarHBondContact O-N 2.95Å; M89-N91 VanDerWaalsContact C-N 3.25Å; M89-N91 PolarHBondContact O-N 3.38Å; M89-T92 WeakPolarHBondContact CA-OG1 3.47Å; M89-T92 PolarHBondContact O-N 3.14Å; M89-T92 VanDerWaalsContact O-N 3.15Å; M89-T92 PolarHBondContact O-OG1 2.89Å; M89-E93 WeakPolarHBondContact O-CG 3.36Å; M89-E93 PolarHBondContact O-N 3.1Å
90	Y	95.3	Very high	95.7	Very high	160 Å²	160	101.5 Å²	101.5	63%	0.627	49%	0.485	S	S	*	.	H	α-helix	trans	-62.3	-34	176.4	-75.6	-51.8	0	0	0	112.4	I86 R87 L94	I86-Y90 HydrophobicContact CG2-CD2 3.5Å; I86-Y90 VanDerWaalsContact CG2-CD2 3.5Å; I86-Y90 HydrophobicContact CG2-CE2 3.28Å; I86-Y90 VanDerWaalsContact O-CD2 3.23Å; I86-Y90 WeakPolarHBondContact O-CD2 3.44Å; I86-Y90 PolarHBondContact O-N 3.48Å; R87-Y90 PolarHBondContact O-N 3.43Å; Y90-L94 VanDerWaalsContact O-CB 3.3Å; Y90-L94 WeakPolarHBondContact O-CB 3.33Å; Y90-L94 WeakPolarHBondContact O-CG 3.35Å; Y90-L94 PolarHBondContact O-N 2.99Å
91	N	96.4	Very high	95.8	Very high	80 Å²	80	102.5 Å²	102.5	43%	0.428	49%	0.488	S	S	.	.	H	α-helix	trans	-69.3	-37.6	175.3	-168.8	16.1	0	0	0	111.9	R87 S88 M89 K95	R87-N91 WeakPolarHBondContact O-CB 3.36Å; R87-N91 PolarHBondContact O-N 3.02Å; S88-N91 WeakPolarHBondContact O-CB 3.11Å; S88-N91 PolarHBondContact O-N 2.85Å; M89-N91 VanDerWaalsContact C-N 3.25Å; M89-N91 PolarHBondContact O-N 3.38Å; N91-K95 VanDerWaalsContact O-CG 3.26Å; N91-K95 WeakPolarHBondContact O-CG 3.48Å; N91-K95 PolarHBondContact O-N 2.89Å
92	T	96	Very high	95.9	Very high	63 Å²	63	99.8 Å²	99.8	39%	0.387	48%	0.481	S	S	.	.	H	α-helix	trans	-66.9	-43.4	173.6	49.4	0	0	0	0	111.8	S88 M89 K95 Q96	S88-T92 PolarHBondContact O-N 3.2Å; S88-T92 PolarHBondContact O-OG1 3.36Å; M89-T92 WeakPolarHBondContact CA-OG1 3.47Å; M89-T92 PolarHBondContact O-N 3.14Å; M89-T92 VanDerWaalsContact O-N 3.15Å; M89-T92 PolarHBondContact O-OG1 2.89Å; T92-K95 WeakPolarHBondContact O-CB 3.45Å; T92-K95 PolarHBondContact O-N 2.9Å; T92-Q96 WeakPolarHBondContact O-CG 3.35Å; T92-Q96 PolarHBondContact O-N 2.87Å
93	E	96	Very high	96	Very high	99 Å²	99	98.5 Å²	98.5	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-61.8	-44.5	175.1	-67.1	-59.1	138.4	0	0	111.2	M89 K95 Q96 L97	M89-E93 WeakPolarHBondContact O-CG 3.36Å; M89-E93 PolarHBondContact O-N 3.1Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.3Å; E93-Q96 PolarHBondContact O-N 3.44Å; E93-L97 WeakPolarHBondContact O-CB 3.34Å; E93-L97 WeakPolarHBondContact O-CG 3.27Å; E93-L97 PolarHBondContact O-N 2.92Å
94	L	95.4	Very high	96.1	Very high	88 Å²	88	99.5 Å²	99.5	46%	0.461	48%	0.483	S	S	.	.	H	α-helix	trans	-60.9	-37.4	175.3	-78.2	170.2	0	0	0	112.3	Y90 R98	Y90-L94 VanDerWaalsContact O-CB 3.3Å; Y90-L94 WeakPolarHBondContact O-CB 3.33Å; Y90-L94 WeakPolarHBondContact O-CG 3.35Å; Y90-L94 PolarHBondContact O-N 2.99Å; L94-R98 WeakPolarHBondContact O-CB 3.42Å; L94-R98 VanDerWaalsContact O-CG 3.23Å; L94-R98 WeakPolarHBondContact O-CG 3.34Å; L94-R98 PolarHBondContact O-N 3.38Å
95	K	96.5	Very high	96.1	Very high	125 Å²	125	100.5 Å²	100.5	54%	0.543	49%	0.488	S	S	.	.	H	α-helix	trans	-66.6	-43.6	174.8	-75.3	173.3	-176.5	-176.8	0	111.9	N91 T92 E93 R98 H99	N91-K95 VanDerWaalsContact O-CG 3.26Å; N91-K95 WeakPolarHBondContact O-CG 3.48Å; N91-K95 PolarHBondContact O-N 2.89Å; T92-K95 WeakPolarHBondContact O-CB 3.45Å; T92-K95 PolarHBondContact O-N 2.9Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.3Å; K95-R98 PolarHBondContact O-N 3.28Å; K95-H99 WeakPolarHBondContact O-CB 3.22Å; K95-H99 PolarHBondContact O-N 2.83Å
96	Q	96.5	Very high	96.2	Very high	109 Å²	109	100.4 Å²	100.4	51%	0.509	48%	0.484	S	S	.	.	H	α-helix	trans	-64.3	-44.3	177	-70.9	175.5	2.8	0	0	111.5	T92 E93 R98 H99 L100	T92-Q96 WeakPolarHBondContact O-CG 3.35Å; T92-Q96 PolarHBondContact O-N 2.87Å; E93-Q96 PolarHBondContact O-N 3.44Å; Q96-R98 VanDerWaalsContact C-N 3.34Å; Q96-R98 PolarHBondContact O-N 2.84Å; Q96-H99 WeakPolarHBondContact O-CB 3.46Å; Q96-H99 PolarHBondContact O-N 3.42Å; Q96-L100 WeakPolarHBondContact O-CG 3.37Å; Q96-L100 PolarHBondContact O-N 2.87Å
97	L	95.9	Very high	96.3	Very high	101 Å²	101	103.3 Å²	103.3	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-40.9	175.9	-71.6	174.2	0	0	0	112.1	E93 L100 V101	E93-L97 WeakPolarHBondContact O-CB 3.34Å; E93-L97 WeakPolarHBondContact O-CG 3.27Å; E93-L97 PolarHBondContact O-N 2.92Å; L97-L100 PolarHBondContact O-N 3.3Å; L97-V101 VanDerWaalsContact O-CG2 3.32Å; L97-V101 WeakPolarHBondContact O-CG2 3.44Å; L97-V101 PolarHBondContact O-N 3.39Å
98	R	96.1	Very high	96.3	Very high	162 Å²	162	103.8 Å²	103.8	61%	0.611	50%	0.502	S	S	*	.	H	α-helix	trans	-62.5	-45.9	173.8	-75.3	171.2	-175.7	179.6	1.5	111.7	L94 K95 Q96 L100 V101 D102	L94-R98 WeakPolarHBondContact O-CB 3.42Å; L94-R98 VanDerWaalsContact O-CG 3.23Å; L94-R98 WeakPolarHBondContact O-CG 3.34Å; L94-R98 PolarHBondContact O-N 3.38Å; K95-R98 PolarHBondContact O-N 3.28Å; Q96-R98 VanDerWaalsContact C-N 3.34Å; Q96-R98 PolarHBondContact O-N 2.84Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.41Å; R98-V101 PolarHBondContact O-N 3.02Å; R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 2.88Å
99	H	96.8	Very high	96.3	Very high	104 Å²	104	103.3 Å²	103.3	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-59	-44.3	176.2	-171.8	-87.3	0	0	0	112.2	K95 Q96 V101 D102 E103	K95-H99 WeakPolarHBondContact O-CB 3.22Å; K95-H99 PolarHBondContact O-N 2.83Å; Q96-H99 WeakPolarHBondContact O-CB 3.46Å; Q96-H99 PolarHBondContact O-N 3.42Å; H99-V101 VanDerWaalsContact C-N 3.33Å; H99-V101 PolarHBondContact O-N 2.88Å; H99-D102 PolarHBondContact O-N 2.92Å; H99-E103 IonicContact CE1-OE1 3.97Å; H99-E103 PolarHBondContact CE1-OE1 3.03Å; H99-E103 IonicContact CE1-OE2 3.93Å; H99-E103 IonicContact ND1-OE1 2.83Å; H99-E103 PolarHBondContact ND1-OE1 3.3Å; H99-E103 IonicContact ND1-OE2 2.74Å; H99-E103 PolarHBondContact ND1-OE2 2.96Å; H99-E103 VanDerWaalsContact ND1-OE2 3.1Å; H99-E103 WeakPolarHBondContact O-CB 3.5Å; H99-E103 WeakPolarHBondContact O-CG 3.33Å; H99-E103 PolarHBondContact O-N 3.18Å
100	L	96.8	Very high	96.4	Very high	101 Å²	101	103.1 Å²	103.1	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-36.8	176.8	-72.6	170.6	0	0	0	112.4	Q96 L97 R98 E103 C104	Q96-L100 WeakPolarHBondContact O-CG 3.37Å; Q96-L100 PolarHBondContact O-N 2.87Å; L97-L100 PolarHBondContact O-N 3.3Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.41Å; L100-E103 PolarHBondContact O-N 2.91Å; L100-C104 VanDerWaalsContact O-CB 3.29Å; L100-C104 WeakPolarHBondContact O-CB 3.38Å; L100-C104 PolarHBondContact O-N 2.9Å
101	V	97.4	Very high	96.3	Very high	77 Å²	77	98.7 Å²	98.7	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-48.5	173.1	169.3	0	0	0	0	110.3	L97 R98 H99 E103 C104 E105	L97-V101 VanDerWaalsContact O-CG2 3.32Å; L97-V101 WeakPolarHBondContact O-CG2 3.44Å; L97-V101 PolarHBondContact O-N 3.39Å; R98-V101 PolarHBondContact O-N 3.02Å; H99-V101 VanDerWaalsContact C-N 3.33Å; H99-V101 PolarHBondContact O-N 2.88Å; V101-E103 VanDerWaalsContact C-N 3.25Å; V101-E103 PolarHBondContact O-N 2.94Å; V101-C104 PolarHBondContact O-N 3.43Å; V101-E105 HydrophobicContact CG1-CG 4.42Å; V101-E105 WeakPolarHBondContact O-CG 3.45Å; V101-E105 PolarHBondContact O-N 2.8Å
102	D	97	Very high	96.4	Very high	90 Å²	90	99.8 Å²	99.8	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-61	-35.2	177.6	-63.9	-24.3	0	0	0	111.6	R98 H99 R106	R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 2.88Å; H99-D102 PolarHBondContact O-N 2.92Å; D102-R106 WeakPolarHBondContact O-CB 3.34Å; D102-R106 PolarHBondContact O-N 3.3Å; D102-R106 VanDerWaalsContact O-N 3.09Å; D102-R106 PolarHBondContact O-NH2 3.41Å
103	E	96.7	Very high	96.4	Very high	62 Å²	62	99.8 Å²	99.8	29%	0.29	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-48.4	172.9	-74	179	138.7	0	0	112.9	H99 L100 V101 E105 R106 E107	H99-E103 IonicContact CE1-OE1 3.97Å; H99-E103 PolarHBondContact CE1-OE1 3.03Å; H99-E103 IonicContact CE1-OE2 3.93Å; H99-E103 IonicContact ND1-OE1 2.83Å; H99-E103 PolarHBondContact ND1-OE1 3.3Å; H99-E103 IonicContact ND1-OE2 2.74Å; H99-E103 PolarHBondContact ND1-OE2 2.96Å; H99-E103 VanDerWaalsContact ND1-OE2 3.1Å; H99-E103 WeakPolarHBondContact O-CB 3.5Å; H99-E103 WeakPolarHBondContact O-CG 3.33Å; H99-E103 PolarHBondContact O-N 3.18Å; L100-E103 PolarHBondContact O-N 2.91Å; V101-E103 VanDerWaalsContact C-N 3.25Å; V101-E103 PolarHBondContact O-N 2.94Å; E103-E105 VanDerWaalsContact C-N 3.31Å; E103-E105 PolarHBondContact O-N 3.37Å; E103-R106 PolarHBondContact O-N 2.95Å; E103-E107 WeakPolarHBondContact O-CG 3.34Å; E103-E107 PolarHBondContact O-N 2.8Å
104	C	96.1	Very high	96.4	Very high	82 Å²	82	100.6 Å²	100.6	55%	0.554	51%	0.509	S	S	*	.	H	α-helix	trans	-61.1	-39.9	177.3	-173.9	0	0	0	0	111.7	L100 V101 K108	L100-C104 VanDerWaalsContact O-CB 3.29Å; L100-C104 WeakPolarHBondContact O-CB 3.38Å; L100-C104 PolarHBondContact O-N 2.9Å; V101-C104 PolarHBondContact O-N 3.43Å; C104-K108 VanDerWaalsContact O-CB 3.22Å; C104-K108 WeakPolarHBondContact O-CB 3.27Å; C104-K108 PolarHBondContact O-N 3.41Å
105	E	96.2	Very high	96.5	Very high	123 Å²	123	100.4 Å²	100.4	58%	0.575	51%	0.508	S	S	*	.	H	α-helix	trans	-66.3	-39.7	176.2	-73.5	-173.8	171.1	0	0	112.5	V101 E103 K108 A109	V101-E105 HydrophobicContact CG1-CG 4.42Å; V101-E105 WeakPolarHBondContact O-CG 3.45Å; V101-E105 PolarHBondContact O-N 2.8Å; E103-E105 VanDerWaalsContact C-N 3.31Å; E103-E105 PolarHBondContact O-N 3.37Å; E105-K108 PolarHBondContact O-N 2.85Å; E105-A109 WeakPolarHBondContact O-CB 3.42Å; E105-A109 PolarHBondContact O-N 3.2Å
106	R	96.5	Very high	96.5	Very high	117 Å²	117	97.1 Å²	97.1	44%	0.442	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-48.6	175.5	-167.4	-170.7	-33.9	95.8	7.6	112	D102 E103 K108 A109 D110	D102-R106 WeakPolarHBondContact O-CB 3.34Å; D102-R106 PolarHBondContact O-N 3.3Å; D102-R106 VanDerWaalsContact O-N 3.09Å; D102-R106 PolarHBondContact O-NH2 3.41Å; E103-R106 PolarHBondContact O-N 2.95Å; R106-K108 VanDerWaalsContact C-N 3.27Å; R106-K108 PolarHBondContact O-N 3.12Å; R106-A109 WeakPolarHBondContact O-CB 3.48Å; R106-A109 PolarHBondContact O-N 2.94Å; R106-A109 VanDerWaalsContact O-N 3.1Å; R106-D110 PolarHBondContact O-N 2.94Å
107	E	96.7	Very high	96.5	Very high	126 Å²	126	97.3 Å²	97.3	59%	0.589	50%	0.504	S	S	*	.	H	α-helix	trans	-61.2	-37.9	177.2	-72.6	179.8	179.4	0	0	111.8	E103 S111	E103-E107 WeakPolarHBondContact O-CG 3.34Å; E103-E107 PolarHBondContact O-N 2.8Å; E107-S111 VanDerWaalsContact O-CB 3.28Å; E107-S111 WeakPolarHBondContact O-CB 3.29Å; E107-S111 PolarHBondContact O-N 2.88Å; E107-S111 PolarHBondContact O-OG 3.01Å
108	K	95.7	Very high	96.5	Very high	141 Å²	141	96.5 Å²	96.5	61%	0.613	50%	0.5	S	S	*	.	H	α-helix	trans	-63.2	-45.7	172.6	-179.5	-176.2	176.4	-174.7	0	111.3	C104 E105 R106 S111 L112	C104-K108 VanDerWaalsContact O-CB 3.22Å; C104-K108 WeakPolarHBondContact O-CB 3.27Å; C104-K108 PolarHBondContact O-N 3.41Å; E105-K108 PolarHBondContact O-N 2.85Å; R106-K108 VanDerWaalsContact C-N 3.27Å; R106-K108 PolarHBondContact O-N 3.12Å; K108-S111 PolarHBondContact O-N 3.2Å; K108-L112 HydrophobicContact CG-CD1 4.24Å; K108-L112 WeakPolarHBondContact O-CB 3.44Å; K108-L112 VanDerWaalsContact O-CG 3.3Å; K108-L112 WeakPolarHBondContact O-CG 3.43Å; K108-L112 PolarHBondContact O-N 2.96Å
109	A	96.5	Very high	96.6	Very high	55 Å²	55	93.4 Å²	93.4	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-62.1	-44.2	177.3	0	0	0	0	0	111.7	E105 R106 S111 L112 A113	E105-A109 WeakPolarHBondContact O-CB 3.42Å; E105-A109 PolarHBondContact O-N 3.2Å; R106-A109 WeakPolarHBondContact O-CB 3.48Å; R106-A109 PolarHBondContact O-N 2.94Å; R106-A109 VanDerWaalsContact O-N 3.1Å; A109-S111 PolarHBondContact O-N 3.41Å; A109-L112 PolarHBondContact O-N 3.46Å; A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 3.42Å
110	D	96.9	Very high	96.6	Very high	100 Å²	100	92.5 Å²	92.5	54%	0.535	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-42.5	176.7	-70.7	-21.7	0	0	0	111.7	R106 A113 K114	R106-D110 PolarHBondContact O-N 2.94Å; D110-A113 PolarHBondContact O-N 3.22Å; D110-K114 WeakPolarHBondContact O-CB 3.38Å; D110-K114 PolarHBondContact O-N 3.5Å
111	S	94.6	Very high	96.6	Very high	68 Å²	68	90.1 Å²	90.1	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-43.1	176.2	-62.5	0	0	0	0	111.7	E107 K108 A109 K114 I115	E107-S111 VanDerWaalsContact O-CB 3.28Å; E107-S111 WeakPolarHBondContact O-CB 3.29Å; E107-S111 PolarHBondContact O-N 2.88Å; E107-S111 PolarHBondContact O-OG 3.01Å; K108-S111 PolarHBondContact O-N 3.2Å; A109-S111 PolarHBondContact O-N 3.41Å; S111-K114 PolarHBondContact O-N 2.94Å; S111-I115 VanDerWaalsContact O-CG1 3.27Å; S111-I115 WeakPolarHBondContact O-CG1 2.95Å; S111-I115 PolarHBondContact O-N 2.92Å
112	L	97.3	Very high	96.6	Very high	103 Å²	103	92 Å²	92	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-42.2	175.5	-73.5	173.1	0	0	0	111.8	K108 A109 K114 I115 A116	K108-L112 HydrophobicContact CG-CD1 4.24Å; K108-L112 WeakPolarHBondContact O-CB 3.44Å; K108-L112 VanDerWaalsContact O-CG 3.3Å; K108-L112 WeakPolarHBondContact O-CG 3.43Å; K108-L112 PolarHBondContact O-N 2.96Å; A109-L112 PolarHBondContact O-N 3.46Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.84Å; L112-I115 PolarHBondContact O-N 2.63Å; L112-A116 WeakPolarHBondContact O-CB 3.12Å; L112-A116 PolarHBondContact O-N 3.11Å
113	A	96.4	Very high	96.6	Very high	62 Å²	62	94.3 Å²	94.3	51%	0.512	49%	0.487	S	S	.	.	H	α-helix	trans	-61.5	-40.7	174.5	0	0	0	0	0	111.4	A109 D110 A116 H117	A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 3.42Å; D110-A113 PolarHBondContact O-N 3.22Å; A113-A116 PolarHBondContact O-N 3.41Å; A113-H117 WeakPolarHBondContact O-CB 3.07Å; A113-H117 PolarHBondContact O-N 3.14Å
114	K	97.2	Very high	96.6	Very high	117 Å²	117	95.4 Å²	95.4	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-65.3	-43.3	175.6	-175	62.9	179.5	-173.3	0	112.1	D110 S111 L112 H117 L118	D110-K114 WeakPolarHBondContact O-CB 3.38Å; D110-K114 PolarHBondContact O-N 3.5Å; S111-K114 PolarHBondContact O-N 2.94Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.84Å; K114-H117 PolarHBondContact O-N 3.24Å; K114-L118 HydrophobicContact CD-CG 4.46Å; K114-L118 HydrophobicContact CG-CD1 4.2Å; K114-L118 WeakPolarHBondContact O-CB 3.45Å; K114-L118 WeakPolarHBondContact O-CG 3.38Å; K114-L118 PolarHBondContact O-N 2.85Å
115	I	96.3	Very high	96.6	Very high	84 Å²	84	96.9 Å²	96.9	43%	0.431	49%	0.491	S	S	.	.	H	α-helix	trans	-60.2	-47.3	175.3	-71.6	165.5	0	0	0	110.1	S111 L112 H117 L118 Q119	S111-I115 VanDerWaalsContact O-CG1 3.27Å; S111-I115 WeakPolarHBondContact O-CG1 2.95Å; S111-I115 PolarHBondContact O-N 2.92Å; L112-I115 PolarHBondContact O-N 2.63Å; I115-H117 VanDerWaalsContact C-N 3.34Å; I115-H117 PolarHBondContact O-N 3.18Å; I115-L118 PolarHBondContact O-N 3.26Å; I115-Q119 HydrophobicContact CG2-CG 4.34Å; I115-Q119 WeakPolarHBondContact O-CB 3.25Å; I115-Q119 VanDerWaalsContact O-CG 3.28Å; I115-Q119 WeakPolarHBondContact O-CG 3.45Å; I115-Q119 PolarHBondContact O-N 3.47Å
116	A	96.7	Very high	96.7	Very high	55 Å²	55	95.5 Å²	95.5	46%	0.455	49%	0.485	S	S	.	.	H	α-helix	trans	-60.3	-43.2	177.6	0	0	0	0	0	111.9	L112 A113 Q119 Q120	L112-A116 WeakPolarHBondContact O-CB 3.12Å; L112-A116 PolarHBondContact O-N 3.11Å; A113-A116 PolarHBondContact O-N 3.41Å; A116-Q119 PolarHBondContact O-N 3.5Å; A116-Q120 PolarHBondContact O-N 3.36Å
117	H	96.4	Very high	96.7	Very high	113 Å²	113	94.7 Å²	94.7	52%	0.523	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-43.1	176.3	178.1	69.9	0	0	0	112.8	A113 K114 I115 Q120 T121	A113-H117 WeakPolarHBondContact O-CB 3.07Å; A113-H117 PolarHBondContact O-N 3.14Å; K114-H117 PolarHBondContact O-N 3.24Å; I115-H117 VanDerWaalsContact C-N 3.34Å; I115-H117 PolarHBondContact O-N 3.18Å; H117-Q120 PolarHBondContact O-N 2.85Å; H117-T121 WeakPolarHBondContact O-CB 3.45Å; H117-T121 PolarHBondContact O-N 3.25Å; H117-T121 PolarHBondContact O-OG1 2.92Å
118	L	97.2	Very high	96.7	Very high	84 Å²	84	93 Å²	93	44%	0.44	48%	0.482	S	S	.	.	H	α-helix	trans	-64.8	-42.7	176	-73.6	174	0	0	0	111.3	K114 I115 Q120 T121 I122	K114-L118 HydrophobicContact CD-CG 4.46Å; K114-L118 HydrophobicContact CG-CD1 4.2Å; K114-L118 WeakPolarHBondContact O-CB 3.45Å; K114-L118 WeakPolarHBondContact O-CG 3.38Å; K114-L118 PolarHBondContact O-N 2.85Å; I115-L118 PolarHBondContact O-N 3.26Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.45Å; L118-T121 PolarHBondContact O-N 3.03Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 2.86Å
119	Q	97.7	Very high	96.7	Very high	97 Å²	97	90.2 Å²	90.2	45%	0.453	47%	0.472	S	S	.	.	H	α-helix	trans	-59.9	-43.2	174.8	-74.7	175.2	-8.3	0	0	111.8	I115 A116 T121 I122 R123	I115-Q119 HydrophobicContact CG2-CG 4.34Å; I115-Q119 WeakPolarHBondContact O-CB 3.25Å; I115-Q119 VanDerWaalsContact O-CG 3.28Å; I115-Q119 WeakPolarHBondContact O-CG 3.45Å; I115-Q119 PolarHBondContact O-N 3.47Å; A116-Q119 PolarHBondContact O-N 3.5Å; Q119-T121 VanDerWaalsContact C-N 3.34Å; Q119-I122 PolarHBondContact O-N 3.5Å; Q119-R123 WeakPolarHBondContact O-CG 3.37Å; Q119-R123 PolarHBondContact O-N 2.94Å
120	Q	96	Very high	96.7	Very high	86 Å²	86	90.7 Å²	90.7	40%	0.402	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-40.2	175.2	-172.8	58.2	36.4	0	0	112	A116 H117 L118 R123 N124	A116-Q120 PolarHBondContact O-N 3.36Å; H117-Q120 PolarHBondContact O-N 2.85Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.45Å; Q120-R123 PolarHBondContact O-N 3.5Å; Q120-N124 PolarHBondContact NE2-OD1 3.22Å; Q120-N124 VanDerWaalsContact O-CG 3.22Å; Q120-N124 PolarHBondContact O-N 2.92Å; Q120-N124 PolarHBondContact O-OD1 2.99Å
121	T	97	Very high	96.7	Very high	51 Å²	51	92.6 Å²	92.6	31%	0.313	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-41.7	176.8	-56.9	0	0	0	0	111.4	H117 L118 Q119 N124 K125	H117-T121 WeakPolarHBondContact O-CB 3.45Å; H117-T121 PolarHBondContact O-N 3.25Å; H117-T121 PolarHBondContact O-OG1 2.92Å; L118-T121 PolarHBondContact O-N 3.03Å; Q119-T121 VanDerWaalsContact C-N 3.34Å; T121-N124 PolarHBondContact O-N 3.37Å; T121-K125 HydrophobicContact CG2-CG 4.45Å; T121-K125 WeakPolarHBondContact O-CB 3.32Å; T121-K125 VanDerWaalsContact O-CG 3.3Å; T121-K125 WeakPolarHBondContact O-CG 3.43Å; T121-K125 PolarHBondContact O-N 3.11Å
122	I	96.8	Very high	96.9	Very high	115 Å²	115	93.6 Å²	93.6	59%	0.59	47%	0.473	S	S	*	.	H	α-helix	trans	-60.4	-46	175.3	-70.5	165.4	0	0	0	110.4	L118 Q119 K125 Q126	L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 2.86Å; Q119-I122 PolarHBondContact O-N 3.5Å; I122-K125 PolarHBondContact O-N 2.91Å; I122-Q126 WeakPolarHBondContact O-CB 3.46Å; I122-Q126 PolarHBondContact O-N 2.91Å
123	R	97.1	Very high	96.8	Very high	139 Å²	139	92.5 Å²	92.5	53%	0.525	47%	0.468	S	S	.	.	H	α-helix	trans	-59.5	-50	175.9	-69.6	178.3	-164.3	141.9	1.2	111.9	Q119 Q120 K125 Q126 D127	Q119-R123 WeakPolarHBondContact O-CG 3.37Å; Q119-R123 PolarHBondContact O-N 2.94Å; Q120-R123 PolarHBondContact O-N 3.5Å; R123-K125 VanDerWaalsContact C-N 3.26Å; R123-K125 PolarHBondContact O-N 3.01Å; R123-Q126 WeakPolarHBondContact O-CB 3.24Å; R123-Q126 PolarHBondContact O-N 3.47Å; R123-D127 PolarHBondContact O-N 3.26Å
124	N	97	Very high	96.9	Very high	85 Å²	85	94.5 Å²	94.5	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-57.9	-39.9	178.2	-67	-7.1	0	0	0	112	Q120 T121 Q128	Q120-N124 PolarHBondContact NE2-OD1 3.22Å; Q120-N124 VanDerWaalsContact O-CG 3.22Å; Q120-N124 PolarHBondContact O-N 2.92Å; Q120-N124 PolarHBondContact O-OD1 2.99Å; T121-N124 PolarHBondContact O-N 3.37Å; N124-Q128 WeakPolarHBondContact O-CB 3.43Å; N124-Q128 PolarHBondContact O-N 2.88Å
125	K	96.6	Very high	96.8	Very high	113 Å²	113	92.7 Å²	92.7	49%	0.491	46%	0.462	S	S	.	.	H	α-helix	trans	-70.8	-37.1	176.3	-69	-62.3	176.4	-170.5	0	112.5	T121 I122 R123 Q128 I129	T121-K125 HydrophobicContact CG2-CG 4.45Å; T121-K125 WeakPolarHBondContact O-CB 3.32Å; T121-K125 VanDerWaalsContact O-CG 3.3Å; T121-K125 WeakPolarHBondContact O-CG 3.43Å; T121-K125 PolarHBondContact O-N 3.11Å; I122-K125 PolarHBondContact O-N 2.91Å; R123-K125 VanDerWaalsContact C-N 3.26Å; R123-K125 PolarHBondContact O-N 3.01Å; K125-Q128 VanDerWaalsContact NZ-OE1 3.14Å; K125-Q128 PolarHBondContact O-N 2.75Å; K125-I129 VanDerWaalsContact O-CG1 3.29Å; K125-I129 WeakPolarHBondContact O-CG1 3.21Å; K125-I129 PolarHBondContact O-N 2.68Å
126	Q	97.1	Very high	96.8	Very high	94 Å²	94	93.3 Å²	93.3	44%	0.439	47%	0.466	S	S	.	.	H	α-helix	trans	-63.2	-43.9	174.3	-171.7	61.2	37.4	0	0	111.3	I122 R123 Q128 I129 N130	I122-Q126 WeakPolarHBondContact O-CB 3.46Å; I122-Q126 PolarHBondContact O-N 2.91Å; R123-Q126 WeakPolarHBondContact O-CB 3.24Å; R123-Q126 PolarHBondContact O-N 3.47Å; Q126-Q128 VanDerWaalsContact C-N 3.34Å; Q126-Q128 PolarHBondContact O-N 2.8Å; Q126-I129 PolarHBondContact O-N 3.3Å; Q126-N130 PolarHBondContact NE2-OD1 2.74Å; Q126-N130 WeakPolarHBondContact O-CB 3.41Å; Q126-N130 PolarHBondContact O-N 2.85Å; Q126-N130 PolarHBondContact O-ND2 3.43Å
127	D	96.5	Very high	96.8	Very high	101 Å²	101	96.7 Å²	96.7	54%	0.54	47%	0.473	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.3	-67.1	-27.2	0	0	0	111.5	R123 I129 N130 Q131	R123-D127 PolarHBondContact O-N 3.26Å; D127-I129 PolarHBondContact O-N 2.85Å; D127-N130 PolarHBondContact O-N 3.23Å; D127-Q131 WeakPolarHBondContact O-CB 3.33Å; D127-Q131 PolarHBondContact O-N 2.99Å
128	Q	97.8	Very high	96.8	Very high	90 Å²	90	98.8 Å²	98.8	42%	0.421	48%	0.476	S	S	.	.	H	α-helix	trans	-60.9	-44.2	174	-173.3	179.1	3	0	0	111.9	N124 K125 Q126 Q131 L132	N124-Q128 WeakPolarHBondContact O-CB 3.43Å; N124-Q128 PolarHBondContact O-N 2.88Å; K125-Q128 VanDerWaalsContact NZ-OE1 3.14Å; K125-Q128 PolarHBondContact O-N 2.75Å; Q126-Q128 VanDerWaalsContact C-N 3.34Å; Q126-Q128 PolarHBondContact O-N 2.8Å; Q128-Q131 PolarHBondContact O-N 2.86Å; Q128-L132 HydrophobicContact CG-CD1 4.4Å; Q128-L132 WeakPolarHBondContact O-CG 3.07Å; Q128-L132 PolarHBondContact O-N 2.8Å
129	I	96.5	Very high	96.7	Very high	82 Å²	82	98.9 Å²	98.9	42%	0.421	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-44.7	176.3	-71.2	165.5	0	0	0	110.4	K125 Q126 D127 Q131 L132 N133	K125-I129 VanDerWaalsContact O-CG1 3.29Å; K125-I129 WeakPolarHBondContact O-CG1 3.21Å; K125-I129 PolarHBondContact O-N 2.68Å; Q126-I129 PolarHBondContact O-N 3.3Å; D127-I129 PolarHBondContact O-N 2.85Å; I129-Q131 VanDerWaalsContact C-N 3.33Å; I129-Q131 PolarHBondContact O-N 2.89Å; I129-L132 PolarHBondContact O-N 2.89Å; I129-N133 WeakPolarHBondContact O-CB 3.43Å; I129-N133 VanDerWaalsContact O-CG 3.29Å; I129-N133 PolarHBondContact O-N 2.99Å; I129-N133 PolarHBondContact O-ND2 3.32Å
130	N	96.5	Very high	96.7	Very high	66 Å²	66	96.8 Å²	96.8	35%	0.353	48%	0.476	S	S	.	.	H	α-helix	trans	-60.4	-42.8	177.5	-69.5	-20.1	0	0	0	111.4	Q126 D127 N133 Q134	Q126-N130 PolarHBondContact NE2-OD1 2.74Å; Q126-N130 WeakPolarHBondContact O-CB 3.41Å; Q126-N130 PolarHBondContact O-N 2.85Å; Q126-N130 PolarHBondContact O-ND2 3.43Å; D127-N130 PolarHBondContact O-N 3.23Å; N130-N133 PolarHBondContact O-N 3.04Å; N130-Q134 WeakPolarHBondContact O-CG 3.49Å; N130-Q134 PolarHBondContact O-N 2.99Å
131	Q	96.9	Very high	96.7	Very high	139 Å²	139	99.4 Å²	99.4	65%	0.65	49%	0.486	S	S	*	.	H	α-helix	trans	-64.7	-43.2	177.1	-170.8	178.2	18.5	0	0	112.2	D127 Q128 I129 Q134 N135	D127-Q131 WeakPolarHBondContact O-CB 3.33Å; D127-Q131 PolarHBondContact O-N 2.99Å; Q128-Q131 PolarHBondContact O-N 2.86Å; I129-Q131 VanDerWaalsContact C-N 3.33Å; I129-Q131 PolarHBondContact O-N 2.89Å; Q131-Q134 PolarHBondContact O-N 2.67Å; Q131-N135 WeakPolarHBondContact O-CB 3.38Å; Q131-N135 PolarHBondContact O-N 2.84Å
132	L	97.1	Very high	96.7	Very high	89 Å²	89	103 Å²	103	47%	0.466	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-40.8	175.4	-73.5	172.9	0	0	0	111.8	Q128 I129 N135 N136	Q128-L132 HydrophobicContact CG-CD1 4.4Å; Q128-L132 WeakPolarHBondContact O-CG 3.07Å; Q128-L132 PolarHBondContact O-N 2.8Å; I129-L132 PolarHBondContact O-N 2.89Å; L132-N135 PolarHBondContact O-N 2.93Å; L132-N136 WeakPolarHBondContact O-CB 3.47Å; L132-N136 PolarHBondContact O-N 2.99Å
133	N	96.8	Very high	96.7	Very high	81 Å²	81	102.6 Å²	102.6	43%	0.433	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-43.1	175.4	-75.4	-22.4	0	0	0	111.8	I129 N130 N135 N136 Q137	I129-N133 WeakPolarHBondContact O-CB 3.43Å; I129-N133 VanDerWaalsContact O-CG 3.29Å; I129-N133 PolarHBondContact O-N 2.99Å; I129-N133 PolarHBondContact O-ND2 3.32Å; N130-N133 PolarHBondContact O-N 3.04Å; N133-N135 VanDerWaalsContact C-N 3.34Å; N133-N135 PolarHBondContact O-N 3.35Å; N133-N136 PolarHBondContact O-N 2.9Å; N133-Q137 VanDerWaalsContact O-CG 3.31Å; N133-Q137 WeakPolarHBondContact O-CG 3.49Å; N133-Q137 PolarHBondContact O-N 3.28Å
134	Q	97.1	Very high	96.7	Very high	104 Å²	104	99 Å²	99	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-63	-40.7	174.2	-72.4	177.6	18.5	0	0	112	N130 Q131 Q137 R138	N130-Q134 WeakPolarHBondContact O-CG 3.49Å; N130-Q134 PolarHBondContact O-N 2.99Å; Q131-Q134 PolarHBondContact O-N 2.67Å; Q134-Q137 PolarHBondContact O-N 2.91Å; Q134-R138 WeakPolarHBondContact O-CG 3.2Å; Q134-R138 PolarHBondContact O-N 3.26Å
135	N	96.8	Very high	96.6	Very high	79 Å²	79	99 Å²	99	42%	0.422	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-45.7	176.5	-167.3	20.7	0	0	0	111.4	Q131 L132 N133 Q137 R138 L139	Q131-N135 WeakPolarHBondContact O-CB 3.38Å; Q131-N135 PolarHBondContact O-N 2.84Å; L132-N135 PolarHBondContact O-N 2.93Å; N133-N135 VanDerWaalsContact C-N 3.34Å; N133-N135 PolarHBondContact O-N 3.35Å; N135-Q137 VanDerWaalsContact C-N 3.29Å; N135-Q137 PolarHBondContact O-N 3.35Å; N135-R138 WeakPolarHBondContact O-CB 3.47Å; N135-R138 PolarHBondContact O-N 3.37Å; N135-L139 WeakPolarHBondContact O-CG 2.96Å; N135-L139 PolarHBondContact O-N 2.98Å
136	N	94.9	Very high	96.6	Very high	97 Å²	97	96.1 Å²	96.1	52%	0.519	49%	0.486	S	S	.	.	H	α-helix	trans	-58.9	-39.5	175.2	-76.8	-17.5	0	0	0	112	L132 N133 L139 A140	L132-N136 WeakPolarHBondContact O-CB 3.47Å; L132-N136 PolarHBondContact O-N 2.99Å; N133-N136 PolarHBondContact O-N 2.9Å; N136-L139 PolarHBondContact O-N 3.16Å; N136-A140 VanDerWaalsContact O-CB 3.28Å; N136-A140 WeakPolarHBondContact O-CB 3.48Å; N136-A140 PolarHBondContact O-N 3.13Å
137	Q	96.3	Very high	96.5	Very high	126 Å²	126	96.6 Å²	96.6	59%	0.589	49%	0.491	S	S	*	.	H	α-helix	trans	-64.9	-38.2	174.2	-73.5	174	4.3	0	0	112.7	N133 Q134 N135 K141	N133-Q137 VanDerWaalsContact O-CG 3.31Å; N133-Q137 WeakPolarHBondContact O-CG 3.49Å; N133-Q137 PolarHBondContact O-N 3.28Å; Q134-Q137 PolarHBondContact O-N 2.91Å; N135-Q137 VanDerWaalsContact C-N 3.29Å; N135-Q137 PolarHBondContact O-N 3.35Å; Q137-K141 WeakPolarHBondContact O-CG 3.43Å; Q137-K141 PolarHBondContact O-N 2.91Å; Q137-K141 VanDerWaalsContact O-N 3.11Å
138	R	97.2	Very high	96.5	Very high	157 Å²	157	95.1 Å²	95.1	59%	0.592	48%	0.48	S	S	*	.	H	α-helix	trans	-66.8	-46	175.2	-70.5	174.7	-171.6	169.2	3.8	111.4	Q134 N135 A140 K141 Q142	Q134-R138 WeakPolarHBondContact O-CG 3.2Å; Q134-R138 PolarHBondContact O-N 3.26Å; N135-R138 WeakPolarHBondContact O-CB 3.47Å; N135-R138 PolarHBondContact O-N 3.37Å; R138-A140 VanDerWaalsContact C-N 3.34Å; R138-A140 PolarHBondContact O-N 2.89Å; R138-K141 PolarHBondContact O-N 3.42Å; R138-Q142 WeakPolarHBondContact O-CG 3.47Å; R138-Q142 PolarHBondContact O-N 2.94Å
139	L	95.9	Very high	96.4	Very high	86 Å²	86	95.9 Å²	95.9	45%	0.45	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-40.8	176.9	-70.5	172.6	0	0	0	111.7	N135 N136 K141 Q142 L143	N135-L139 WeakPolarHBondContact O-CG 2.96Å; N135-L139 PolarHBondContact O-N 2.98Å; N136-L139 PolarHBondContact O-N 3.16Å; L139-K141 PolarHBondContact O-N 3.45Å; L139-Q142 PolarHBondContact O-N 2.74Å; L139-L143 WeakPolarHBondContact O-CB 3.38Å; L139-L143 PolarHBondContact O-N 3.05Å
140	A	96.7	Very high	96.4	Very high	53 Å²	53	94.7 Å²	94.7	44%	0.438	48%	0.483	S	S	.	.	H	α-helix	trans	-61.3	-42.9	175	0	0	0	0	0	112	N136 R138 L143 D144	N136-A140 VanDerWaalsContact O-CB 3.28Å; N136-A140 WeakPolarHBondContact O-CB 3.48Å; N136-A140 PolarHBondContact O-N 3.13Å; R138-A140 VanDerWaalsContact C-N 3.34Å; R138-A140 PolarHBondContact O-N 2.89Å; A140-L143 PolarHBondContact O-N 3.29Å; A140-D144 PolarHBondContact O-N 2.91Å
141	K	96.7	Very high	96.4	Very high	141 Å²	141	95.2 Å²	95.2	61%	0.613	49%	0.491	S	S	*	.	H	α-helix	trans	-63.8	-45	174.7	-73.4	178	179.9	-175.3	0	112.3	Q137 R138 L139 L143 D144 D145	Q137-K141 WeakPolarHBondContact O-CG 3.43Å; Q137-K141 PolarHBondContact O-N 2.91Å; Q137-K141 VanDerWaalsContact O-N 3.11Å; R138-K141 PolarHBondContact O-N 3.42Å; L139-K141 PolarHBondContact O-N 3.45Å; K141-L143 VanDerWaalsContact C-N 3.28Å; K141-L143 PolarHBondContact O-N 3.48Å; K141-D144 WeakPolarHBondContact O-CB 3.49Å; K141-D144 PolarHBondContact O-N 2.94Å; K141-D145 VanDerWaalsContact O-CG 3.31Å; K141-D145 PolarHBondContact O-N 3.25Å
142	Q	97.2	Very high	96.3	Very high	125 Å²	125	93.5 Å²	93.5	58%	0.584	49%	0.485	S	S	*	.	H	α-helix	trans	-61	-38.3	176.8	-73.8	177.4	-16.6	0	0	112	R138 L139 D145 A146	R138-Q142 WeakPolarHBondContact O-CG 3.47Å; R138-Q142 PolarHBondContact O-N 2.94Å; L139-Q142 PolarHBondContact O-N 2.74Å; Q142-D145 PolarHBondContact O-N 2.95Å; Q142-A146 VanDerWaalsContact O-CB 3.3Å; Q142-A146 WeakPolarHBondContact O-CB 3.37Å; Q142-A146 PolarHBondContact O-N 3.46Å
143	L	96.1	Very high	96.2	Very high	107 Å²	107	94.9 Å²	94.9	56%	0.56	49%	0.488	S	S	*	.	H	α-helix	trans	-65.6	-46.1	174.7	-177.5	63.4	0	0	0	111.6	L139 A140 K141 D145 A146 L147	L139-L143 WeakPolarHBondContact O-CB 3.38Å; L139-L143 PolarHBondContact O-N 3.05Å; A140-L143 PolarHBondContact O-N 3.29Å; K141-L143 VanDerWaalsContact C-N 3.28Å; K141-L143 PolarHBondContact O-N 3.48Å; L143-D145 VanDerWaalsContact C-N 3.29Å; L143-D145 PolarHBondContact O-N 3.46Å; L143-A146 PolarHBondContact O-N 3.26Å; L143-L147 HydrophobicContact CG-CD1 4.27Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 2.93Å
144	D	96.7	Very high	96.1	Very high	63 Å²	63	95 Å²	95	34%	0.337	49%	0.489	S	S	.	.	H	α-helix	trans	-57.2	-43.3	175	-84.8	-2.5	0	0	0	111.6	A140 K141 L147 K148 R451	A140-D144 PolarHBondContact O-N 2.91Å; K141-D144 WeakPolarHBondContact O-CB 3.49Å; K141-D144 PolarHBondContact O-N 2.94Å; D144-L147 PolarHBondContact O-N 2.93Å; D144-K148 VanDerWaalsContact O-CG 3.32Å; D144-K148 WeakPolarHBondContact O-CG 3.4Å; D144-K148 PolarHBondContact O-N 2.79Å; D144-K148 VanDerWaalsContact O-N 3.1Å; D144-R451 IonicContact OD2-NH1 3.68Å; D144-R451 PolarHBondContact OD2-NH1 3.12Å; D144-R451 VanDerWaalsContact OD2-NH1 3.08Å
145	D	95.7	Very high	96	Very high	87 Å²	87	92.2 Å²	92.2	47%	0.465	48%	0.483	S	S	.	.	H	α-helix	trans	-71.4	-39.5	-179.3	-66.4	-24.7	0	0	0	111.9	K141 Q142 L143 L147 K148 E149	K141-D145 VanDerWaalsContact O-CG 3.31Å; K141-D145 PolarHBondContact O-N 3.25Å; Q142-D145 PolarHBondContact O-N 2.95Å; L143-D145 VanDerWaalsContact C-N 3.29Å; L143-D145 PolarHBondContact O-N 3.46Å; D145-L147 VanDerWaalsContact C-N 3.34Å; D145-L147 PolarHBondContact O-N 2.78Å; D145-K148 PolarHBondContact O-N 2.74Å; D145-K148 IonicContact OD1-NZ 3.13Å; D145-K148 PolarHBondContact OD1-NZ 2.77Å; D145-E149 WeakPolarHBondContact O-CB 3.41Å; D145-E149 PolarHBondContact O-N 2.83Å
146	A	95.7	Very high	95.8	Very high	52 Å²	52	92.1 Å²	92.1	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-63.6	-37.9	173.6	0	0	0	0	0	112.4	Q142 L143 E149 S150	Q142-A146 VanDerWaalsContact O-CB 3.3Å; Q142-A146 WeakPolarHBondContact O-CB 3.37Å; Q142-A146 PolarHBondContact O-N 3.46Å; L143-A146 PolarHBondContact O-N 3.26Å; A146-E149 PolarHBondContact O-N 2.74Å; A146-S150 WeakPolarHBondContact O-CB 3.29Å; A146-S150 PolarHBondContact O-N 3.24Å
147	L	95.8	Very high	95.8	Very high	104 Å²	104	93.1 Å²	93.1	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-65.8	-41.6	175.2	-74.8	172.2	0	0	0	111.9	L143 D144 D145 S150 S151	L143-L147 HydrophobicContact CG-CD1 4.27Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 2.93Å; D144-L147 PolarHBondContact O-N 2.93Å; D145-L147 VanDerWaalsContact C-N 3.34Å; D145-L147 PolarHBondContact O-N 2.78Å; L147-S150 PolarHBondContact O-N 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.44Å; L147-S151 PolarHBondContact O-N 2.93Å
148	K	96.7	Very high	95.7	Very high	70 Å²	70	91.4 Å²	91.4	30%	0.304	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-46	173.5	-68.1	168.4	-158.4	155	0	111.2	D144 D145 S150 S151 I152	D144-K148 VanDerWaalsContact O-CG 3.32Å; D144-K148 WeakPolarHBondContact O-CG 3.4Å; D144-K148 PolarHBondContact O-N 2.79Å; D144-K148 VanDerWaalsContact O-N 3.1Å; D145-K148 PolarHBondContact O-N 2.74Å; D145-K148 IonicContact OD1-NZ 3.13Å; D145-K148 PolarHBondContact OD1-NZ 2.77Å; K148-S150 VanDerWaalsContact C-N 3.34Å; K148-S150 PolarHBondContact O-N 3.33Å; K148-S151 PolarHBondContact O-N 2.82Å; K148-I152 WeakPolarHBondContact O-CG1 3.45Å; K148-I152 PolarHBondContact O-N 2.82Å
149	E	96	Very high	95.6	Very high	105 Å²	105	89 Å²	89	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-43	178.3	-171	-174.9	165.1	0	0	111.5	D145 A146 I152 K153	D145-E149 WeakPolarHBondContact O-CB 3.41Å; D145-E149 PolarHBondContact O-N 2.83Å; A146-E149 PolarHBondContact O-N 2.74Å; E149-I152 PolarHBondContact O-N 3.23Å; E149-K153 HydrophobicContact CG-CD 4.41Å; E149-K153 WeakPolarHBondContact O-CG 3.36Å; E149-K153 PolarHBondContact O-N 2.78Å; E149-K153 WeakPolarHBondContact OE1-CE 3.28Å; E149-K153 IonicContact OE1-NZ 3.83Å; E149-K153 PolarHBondContact OE1-NZ 3.08Å
150	S	95.6	Very high	95.4	Very high	58 Å²	58	90 Å²	90	41%	0.406	48%	0.478	S	S	.	.	H	α-helix	trans	-59.9	-46.5	173.8	-168.1	0	0	0	0	111.4	A146 L147 K148 I152 K153 D154	A146-S150 WeakPolarHBondContact O-CB 3.29Å; A146-S150 PolarHBondContact O-N 3.24Å; L147-S150 PolarHBondContact O-N 3.24Å; K148-S150 VanDerWaalsContact C-N 3.34Å; K148-S150 PolarHBondContact O-N 3.33Å; S150-I152 VanDerWaalsContact C-N 3.31Å; S150-I152 PolarHBondContact O-N 3.05Å; S150-K153 PolarHBondContact O-N 2.95Å; S150-D154 WeakPolarHBondContact O-CB 3.28Å; S150-D154 VanDerWaalsContact O-CG 3.27Å; S150-D154 PolarHBondContact O-N 2.91Å
151	S	95.9	Very high	95.4	Very high	77 Å²	77	92 Å²	92	54%	0.538	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-36.3	179.4	-176.6	0	0	0	0	112.9	L147 K148 A155	L147-S151 WeakPolarHBondContact O-CB 3.44Å; L147-S151 PolarHBondContact O-N 2.93Å; K148-S151 PolarHBondContact O-N 2.82Å; S151-A155 PolarHBondContact O-N 2.88Å; S151-A155 VanDerWaalsContact O-N 3.16Å
152	I	96.3	Very high	95.4	Very high	102 Å²	102	93 Å²	93	52%	0.523	48%	0.477	S	S	.	.	H	α-helix	trans	-67.4	-48.1	175.2	-66.9	164.5	0	0	0	109.7	K148 E149 S150 D154 A155 D156	K148-I152 WeakPolarHBondContact O-CG1 3.45Å; K148-I152 PolarHBondContact O-N 2.82Å; E149-I152 PolarHBondContact O-N 3.23Å; S150-I152 VanDerWaalsContact C-N 3.31Å; S150-I152 PolarHBondContact O-N 3.05Å; I152-D154 VanDerWaalsContact C-N 3.29Å; I152-D154 PolarHBondContact O-N 2.88Å; I152-A155 WeakPolarHBondContact O-CB 3.5Å; I152-A155 PolarHBondContact O-N 3.16Å; I152-A155 VanDerWaalsContact O-N 3.11Å; I152-D156 PolarHBondContact O-N 2.81Å
153	K	94.6	Very high	95.3	Very high	118 Å²	118	92.5 Å²	92.5	51%	0.513	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-36.9	177.8	-72.4	176.7	-176.5	170.6	0	112.7	E149 S150 D156 K157	E149-K153 HydrophobicContact CG-CD 4.41Å; E149-K153 WeakPolarHBondContact O-CG 3.36Å; E149-K153 PolarHBondContact O-N 2.78Å; E149-K153 WeakPolarHBondContact OE1-CE 3.28Å; E149-K153 IonicContact OE1-NZ 3.83Å; E149-K153 PolarHBondContact OE1-NZ 3.08Å; S150-K153 PolarHBondContact O-N 2.95Å; K153-D156 PolarHBondContact O-N 3.35Å; K153-K157 VanDerWaalsContact O-CB 3.23Å; K153-K157 WeakPolarHBondContact O-CB 3.26Å; K153-K157 PolarHBondContact O-N 3.02Å
154	D	94.8	Very high	95.1	Very high	85 Å²	85	92 Å²	92	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-66.5	-38.5	175.7	-72.3	-33	0	0	0	111.5	S150 I152 L158	S150-D154 WeakPolarHBondContact O-CB 3.28Å; S150-D154 VanDerWaalsContact O-CG 3.27Å; S150-D154 PolarHBondContact O-N 2.91Å; I152-D154 VanDerWaalsContact C-N 3.29Å; I152-D154 PolarHBondContact O-N 2.88Å; D154-L158 VanDerWaalsContact O-CG 3.31Å; D154-L158 WeakPolarHBondContact O-CG 3.45Å; D154-L158 PolarHBondContact O-N 3.33Å
155	A	93.9	Very high	95	Very high	45 Å²	45	95 Å²	95	37%	0.372	48%	0.482	S	S	.	.	H	α-helix	trans	-66.4	-45.6	173.7	0	0	0	0	0	112.1	S151 I152 K157 L158 Q159	S151-A155 PolarHBondContact O-N 2.88Å; S151-A155 VanDerWaalsContact O-N 3.16Å; I152-A155 WeakPolarHBondContact O-CB 3.5Å; I152-A155 PolarHBondContact O-N 3.16Å; I152-A155 VanDerWaalsContact O-N 3.11Å; A155-K157 VanDerWaalsContact C-N 3.35Å; A155-K157 PolarHBondContact O-N 3.1Å; A155-L158 PolarHBondContact O-N 3.46Å; A155-Q159 WeakPolarHBondContact O-CG 3.25Å; A155-Q159 PolarHBondContact O-N 3.3Å
156	D	93.4	Very high	95	Very high	77 Å²	77	96 Å²	96	41%	0.412	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-42.4	177	-70.1	-13.6	0	0	0	111.2	I152 K153 L158 Q159 L160	I152-D156 PolarHBondContact O-N 2.81Å; K153-D156 PolarHBondContact O-N 3.35Å; D156-L158 PolarHBondContact O-N 3.48Å; D156-Q159 WeakPolarHBondContact O-CB 3.46Å; D156-Q159 PolarHBondContact O-N 3.48Å; D156-L160 WeakPolarHBondContact O-CG 3.35Å; D156-L160 PolarHBondContact O-N 2.89Å
157	K	93.8	Very high	94.8	Very high	117 Å²	117	95.9 Å²	95.9	51%	0.509	48%	0.483	S	S	.	.	H	α-helix	trans	-58	-48.4	174.4	176.9	-176.4	166.6	-173.4	0	111.2	K153 A155 Q159 L160 E161	K153-K157 VanDerWaalsContact O-CB 3.23Å; K153-K157 WeakPolarHBondContact O-CB 3.26Å; K153-K157 PolarHBondContact O-N 3.02Å; A155-K157 VanDerWaalsContact C-N 3.35Å; A155-K157 PolarHBondContact O-N 3.1Å; K157-Q159 VanDerWaalsContact C-N 3.28Å; K157-Q159 PolarHBondContact O-N 3.4Å; K157-L160 PolarHBondContact O-N 2.91Å; K157-E161 WeakPolarHBondContact CE-OE1 3.24Å; K157-E161 IonicContact NZ-OE1 2.74Å; K157-E161 WeakPolarHBondContact O-CG 3.26Å; K157-E161 PolarHBondContact O-N 3.28Å
158	L	94.7	Very high	94.8	Very high	90 Å²	90	96.1 Å²	96.1	47%	0.471	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-34.9	177.8	-74	170.2	0	0	0	112.3	D154 A155 D156 R162	D154-L158 VanDerWaalsContact O-CG 3.31Å; D154-L158 WeakPolarHBondContact O-CG 3.45Å; D154-L158 PolarHBondContact O-N 3.33Å; A155-L158 PolarHBondContact O-N 3.46Å; D156-L158 PolarHBondContact O-N 3.48Å; L158-R162 VanDerWaalsContact O-CG 3.28Å; L158-R162 WeakPolarHBondContact O-CG 3.46Å; L158-R162 PolarHBondContact O-N 2.86Å
159	Q	95	Very high	94.6	Very high	106 Å²	106	96.6 Å²	96.6	50%	0.495	49%	0.485	S	S	.	.	H	α-helix	trans	-68	-46	174.2	-72.3	-179.5	-11.1	0	0	111.6	A155 D156 K157 E161 R162 H163	A155-Q159 WeakPolarHBondContact O-CG 3.25Å; A155-Q159 PolarHBondContact O-N 3.3Å; D156-Q159 WeakPolarHBondContact O-CB 3.46Å; D156-Q159 PolarHBondContact O-N 3.48Å; K157-Q159 VanDerWaalsContact C-N 3.28Å; K157-Q159 PolarHBondContact O-N 3.4Å; Q159-E161 VanDerWaalsContact C-N 3.35Å; Q159-E161 PolarHBondContact O-N 3.5Å; Q159-R162 WeakPolarHBondContact O-CB 3.45Å; Q159-R162 PolarHBondContact O-N 3.38Å; Q159-H163 PolarHBondContact O-CD2 3.03Å; Q159-H163 PolarHBondContact O-N 3.33Å
160	L	92.8	Very high	94.5	Very high	109 Å²	109	96.6 Å²	96.6	57%	0.571	49%	0.485	S	S	*	.	H	α-helix	trans	-61.2	-42.1	176.6	-71.7	173.5	0	0	0	111.8	D156 K157 R162 H163 I164	D156-L160 WeakPolarHBondContact O-CG 3.35Å; D156-L160 PolarHBondContact O-N 2.89Å; K157-L160 PolarHBondContact O-N 2.91Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 PolarHBondContact O-N 2.87Å; L160-H163 PolarHBondContact O-N 3.43Å; L160-I164 WeakPolarHBondContact O-CB 3.39Å; L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 3.42Å
161	E	96.6	Very high	94.4	Very high	93 Å²	93	97.4 Å²	97.4	44%	0.435	49%	0.487	S	S	.	.	H	α-helix	trans	-60.6	-39.3	175.1	-74.8	174.4	174.9	0	0	112	K157 Q159 K165	K157-E161 WeakPolarHBondContact CE-OE1 3.24Å; K157-E161 IonicContact NZ-OE1 2.74Å; K157-E161 WeakPolarHBondContact O-CG 3.26Å; K157-E161 PolarHBondContact O-N 3.28Å; Q159-E161 VanDerWaalsContact C-N 3.35Å; Q159-E161 PolarHBondContact O-N 3.5Å; E161-K165 WeakPolarHBondContact O-CB 3.4Å; E161-K165 PolarHBondContact O-N 3.47Å
162	R	95.7	Very high	94.3	Very high	162 Å²	162	99.1 Å²	99.1	61%	0.611	49%	0.486	S	S	*	.	H	α-helix	trans	-65.5	-43.8	173.9	-70.2	170.4	-166.7	175.4	5.3	111.9	L158 Q159 L160 K165 Q166	L158-R162 VanDerWaalsContact O-CG 3.28Å; L158-R162 WeakPolarHBondContact O-CG 3.46Å; L158-R162 PolarHBondContact O-N 2.86Å; Q159-R162 WeakPolarHBondContact O-CB 3.45Å; Q159-R162 PolarHBondContact O-N 3.38Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 PolarHBondContact O-N 2.87Å; R162-K165 PolarHBondContact O-N 2.94Å; R162-Q166 WeakPolarHBondContact O-CB 3.46Å; R162-Q166 VanDerWaalsContact O-CG 3.29Å; R162-Q166 WeakPolarHBondContact O-CG 3.28Å; R162-Q166 PolarHBondContact O-N 3.01Å
163	H	94.7	Very high	94.2	Very high	116 Å²	116	101.2 Å²	101.2	54%	0.537	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-42	177.9	-76.3	-58.8	0	0	0	112.3	Q159 L160 Q166 A167	Q159-H163 PolarHBondContact O-CD2 3.03Å; Q159-H163 PolarHBondContact O-N 3.33Å; L160-H163 PolarHBondContact O-N 3.43Å; H163-Q166 PolarHBondContact O-N 2.88Å; H163-A167 WeakPolarHBondContact O-CB 3.28Å; H163-A167 PolarHBondContact O-N 2.77Å
164	I	93	Very high	94.1	Very high	95 Å²	95	104.5 Å²	104.5	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-60.6	-49.4	175.2	-70.4	165.7	0	0	0	109.7	L160 Q166 A167 E168	L160-I164 WeakPolarHBondContact O-CB 3.39Å; L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 3.42Å; I164-Q166 VanDerWaalsContact C-N 3.34Å; I164-Q166 PolarHBondContact O-N 2.78Å; I164-A167 PolarHBondContact O-N 2.96Å; I164-E168 HydrophobicContact CG2-CG 4.31Å; I164-E168 WeakPolarHBondContact O-CG 3.2Å; I164-E168 PolarHBondContact O-N 2.88Å
165	K	95.3	Very high	94.1	Very high	127 Å²	127	107.8 Å²	107.8	55%	0.552	50%	0.503	S	S	*	.	H	α-helix	trans	-59.7	-42.8	178.5	-174.6	179.7	176.7	-176.6	0	112.5	E161 R162 E168 E169	E161-K165 WeakPolarHBondContact O-CB 3.4Å; E161-K165 PolarHBondContact O-N 3.47Å; R162-K165 PolarHBondContact O-N 2.94Å; K165-E168 PolarHBondContact O-N 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.49Å; K165-E169 WeakPolarHBondContact O-CG 3.3Å; K165-E169 PolarHBondContact O-N 2.86Å
166	Q	94.9	Very high	94.1	Very high	108 Å²	108	109.4 Å²	109.4	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-44.8	175.9	-74.6	172.5	-6.6	0	0	111.7	R162 H163 I164 E168 E169 E170	R162-Q166 WeakPolarHBondContact O-CB 3.46Å; R162-Q166 VanDerWaalsContact O-CG 3.29Å; R162-Q166 WeakPolarHBondContact O-CG 3.28Å; R162-Q166 PolarHBondContact O-N 3.01Å; H163-Q166 PolarHBondContact O-N 2.88Å; I164-Q166 VanDerWaalsContact C-N 3.34Å; I164-Q166 PolarHBondContact O-N 2.78Å; Q166-E168 PolarHBondContact O-N 2.6Å; Q166-E169 PolarHBondContact O-N 3.34Å; Q166-E170 WeakPolarHBondContact O-CG 3.46Å; Q166-E170 PolarHBondContact O-N 2.82Å
167	A	92.4	Very high	94	Very high	49 Å²	49	108.4 Å²	108.4	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-39.3	176.9	0	0	0	0	0	112.2	H163 I164 E170 V171	H163-A167 WeakPolarHBondContact O-CB 3.28Å; H163-A167 PolarHBondContact O-N 2.77Å; I164-A167 PolarHBondContact O-N 2.96Å; A167-E170 PolarHBondContact O-N 3.5Å; A167-V171 VanDerWaalsContact O-CG2 3.31Å; A167-V171 WeakPolarHBondContact O-CG2 3.34Å; A167-V171 PolarHBondContact O-N 3.19Å
168	E	94	Very high	94	Very high	110 Å²	110	105.6 Å²	105.6	51%	0.514	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-45.8	174	-73.9	175	166	0	0	111.5	I164 K165 Q166 E170 V171 H172	I164-E168 HydrophobicContact CG2-CG 4.31Å; I164-E168 WeakPolarHBondContact O-CG 3.2Å; I164-E168 PolarHBondContact O-N 2.88Å; K165-E168 PolarHBondContact O-N 3.26Å; Q166-E168 PolarHBondContact O-N 2.6Å; E168-E170 VanDerWaalsContact C-N 3.32Å; E168-E170 PolarHBondContact O-N 2.77Å; E168-V171 PolarHBondContact O-N 2.6Å; E168-H172 WeakPolarHBondContact O-CB 3.42Å; E168-H172 PolarHBondContact O-CD2 2.8Å; E168-H172 PolarHBondContact O-N 2.8Å
169	E	94	Very high	94	Very high	80 Å²	80	105.2 Å²	105.2	37%	0.374	50%	0.499	S	S	.	.	H	α-helix	trans	-59.7	-41.2	175.5	-74.3	177.1	-163.7	0	0	112	K165 Q166 H172 R173	K165-E169 WeakPolarHBondContact CE-OE1 3.49Å; K165-E169 WeakPolarHBondContact O-CG 3.3Å; K165-E169 PolarHBondContact O-N 2.86Å; Q166-E169 PolarHBondContact O-N 3.34Å; E169-H172 PolarHBondContact O-N 3.27Å; E169-R173 WeakPolarHBondContact O-CG 3.3Å; E169-R173 PolarHBondContact O-N 3.3Å; E169-R173 IonicContact OE2-NH2 2.89Å; E169-R173 PolarHBondContact OE2-NH2 2.99Å
170	E	92.9	Very high	94	Very high	105 Å²	105	105.9 Å²	105.9	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-46.6	175	-73.5	-177.3	177	0	0	112.2	Q166 A167 E168 H172 R173 W174	Q166-E170 WeakPolarHBondContact O-CG 3.46Å; Q166-E170 PolarHBondContact O-N 2.82Å; A167-E170 PolarHBondContact O-N 3.5Å; E168-E170 VanDerWaalsContact C-N 3.32Å; E168-E170 PolarHBondContact O-N 2.77Å; E170-H172 VanDerWaalsContact C-N 3.26Å; E170-H172 PolarHBondContact O-N 2.7Å; E170-R173 WeakPolarHBondContact O-CB 3.29Å; E170-R173 PolarHBondContact O-N 3.31Å; E170-R173 VanDerWaalsContact O-N 3.13Å; E170-W174 PolarHBondContact O-N 2.89Å
171	V	93.4	Very high	94	Very high	75 Å²	75	106.5 Å²	106.5	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-58.7	-40.7	175.7	168.1	0	0	0	0	110.8	A167 E168 W174 R175	A167-V171 VanDerWaalsContact O-CG2 3.31Å; A167-V171 WeakPolarHBondContact O-CG2 3.34Å; A167-V171 PolarHBondContact O-N 3.19Å; E168-V171 PolarHBondContact O-N 2.6Å; V171-W174 PolarHBondContact O-N 2.9Å; V171-R175 VanDerWaalsContact O-CB 3.27Å; V171-R175 WeakPolarHBondContact O-CB 3.22Å; V171-R175 PolarHBondContact O-N 2.88Å
172	H	94.2	Very high	93.9	Very high	112 Å²	112	108.5 Å²	108.5	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-45	174.7	-81	-65.3	0	0	0	112.1	E168 E169 E170 R175 T176	E168-H172 WeakPolarHBondContact O-CB 3.42Å; E168-H172 PolarHBondContact O-CD2 2.8Å; E168-H172 PolarHBondContact O-N 2.8Å; E169-H172 PolarHBondContact O-N 3.27Å; E170-H172 VanDerWaalsContact C-N 3.26Å; E170-H172 PolarHBondContact O-N 2.7Å; H172-R175 PolarHBondContact O-N 2.84Å; H172-T176 WeakPolarHBondContact O-CG2 3.24Å; H172-T176 PolarHBondContact O-N 3.21Å; H172-T176 PolarHBondContact O-OG1 2.82Å
173	R	94.3	Very high	93.9	Very high	147 Å²	147	106.4 Å²	106.4	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-59.6	-50.5	175.4	-71	173.7	-161.5	152.5	10.3	111.4	E169 E170 R175 T176 T177	E169-R173 WeakPolarHBondContact O-CG 3.3Å; E169-R173 PolarHBondContact O-N 3.3Å; E169-R173 IonicContact OE2-NH2 2.89Å; E169-R173 PolarHBondContact OE2-NH2 2.99Å; E170-R173 WeakPolarHBondContact O-CB 3.29Å; E170-R173 PolarHBondContact O-N 3.31Å; E170-R173 VanDerWaalsContact O-N 3.13Å; R173-R175 VanDerWaalsContact C-N 3.3Å; R173-R175 PolarHBondContact O-N 2.92Å; R173-T176 PolarHBondContact O-N 2.85Å; R173-T176 VanDerWaalsContact O-N 3.16Å; R173-T176 PolarHBondContact O-OG1 2.77Å; R173-T177 PolarHBondContact O-N 2.85Å; R173-T177 PolarHBondContact O-OG1 3.14Å
174	W	91.9	Very high	93.9	Very high	187 Å²	187	103.1 Å²	103.1	71%	0.708	50%	0.5	S	S	*	.	H	α-helix	trans	-61.5	-36.3	178.2	-70.8	118.7	0	0	0	113	E170 V171 T177 A178	E170-W174 PolarHBondContact O-N 2.89Å; V171-W174 PolarHBondContact O-N 2.9Å; W174-T177 WeakPolarHBondContact CA-OG1 3.33Å; W174-T177 PolarHBondContact O-OG1 3.3Å; W174-T177 VanDerWaalsContact O-OG1 3.05Å; W174-A178 WeakPolarHBondContact O-CB 3.44Å; W174-A178 PolarHBondContact O-N 3.04Å
175	R	95.4	Very high	93.9	Very high	153 Å²	153	102.6 Å²	102.6	58%	0.577	50%	0.498	S	S	*	.	H	α-helix	trans	-65.2	-42.5	175	-174.6	177.1	-72.2	139.3	-2.2	111.7	V171 H172 R173 E179	V171-R175 VanDerWaalsContact O-CB 3.27Å; V171-R175 WeakPolarHBondContact O-CB 3.22Å; V171-R175 PolarHBondContact O-N 2.88Å; H172-R175 PolarHBondContact O-N 2.84Å; R173-R175 VanDerWaalsContact C-N 3.3Å; R173-R175 PolarHBondContact O-N 2.92Å; R175-E179 WeakPolarHBondContact O-CB 3.49Å; R175-E179 PolarHBondContact O-N 3.47Å
176	T	92.9	Very high	93.9	Very high	79 Å²	79	99.4 Å²	99.4	49%	0.485	49%	0.492	S	S	.	.	H	α-helix	trans	-65.8	-42.4	177.8	55.5	0	0	0	0	112.6	H172 R173 E179 Q180	H172-T176 WeakPolarHBondContact O-CG2 3.24Å; H172-T176 PolarHBondContact O-N 3.21Å; H172-T176 PolarHBondContact O-OG1 2.82Å; R173-T176 PolarHBondContact O-N 2.85Å; R173-T176 VanDerWaalsContact O-N 3.16Å; R173-T176 PolarHBondContact O-OG1 2.77Å; T176-E179 PolarHBondContact O-N 3.48Å; T176-Q180 VanDerWaalsContact O-CG 3.28Å; T176-Q180 WeakPolarHBondContact O-CG 3.3Å; T176-Q180 PolarHBondContact O-N 2.8Å
177	T	93.2	Very high	94	Very high	56 Å²	56	98.7 Å²	98.7	34%	0.344	49%	0.488	S	S	.	.	H	α-helix	trans	-68.8	-40.3	178	56.3	0	0	0	0	111.5	R173 W174 E179 Q180 Q181	R173-T177 PolarHBondContact O-N 2.85Å; R173-T177 PolarHBondContact O-OG1 3.14Å; W174-T177 WeakPolarHBondContact CA-OG1 3.33Å; W174-T177 PolarHBondContact O-OG1 3.3Å; W174-T177 VanDerWaalsContact O-OG1 3.05Å; T177-E179 PolarHBondContact O-N 2.85Å; T177-Q180 PolarHBondContact O-N 2.82Å; T177-Q181 VanDerWaalsContact O-CG 3.3Å; T177-Q181 WeakPolarHBondContact O-CG 3.31Å; T177-Q181 PolarHBondContact O-N 3.09Å
178	A	93.1	Very high	94.1	Very high	59 Å²	59	101.6 Å²	101.6	49%	0.488	50%	0.496	S	S	.	.	H	α-helix	trans	-60.8	-42.4	175	0	0	0	0	0	112.3	W174 Q181 K182	W174-A178 WeakPolarHBondContact O-CB 3.44Å; W174-A178 PolarHBondContact O-N 3.04Å; A178-Q181 PolarHBondContact O-N 2.66Å; A178-K182 WeakPolarHBondContact O-CB 3.49Å; A178-K182 PolarHBondContact O-N 3.43Å
179	E	94.3	Very high	94.2	Very high	81 Å²	81	101.9 Å²	101.9	38%	0.379	50%	0.497	S	S	.	.	H	α-helix	trans	-67.1	-40.9	176.9	-176.4	56.6	-150.7	0	0	111.9	R175 T176 T177 Q181 K182 Q183	R175-E179 WeakPolarHBondContact O-CB 3.49Å; R175-E179 PolarHBondContact O-N 3.47Å; T176-E179 PolarHBondContact O-N 3.48Å; T177-E179 PolarHBondContact O-N 2.85Å; E179-Q181 PolarHBondContact O-N 2.89Å; E179-K182 WeakPolarHBondContact O-CB 3.38Å; E179-K182 PolarHBondContact O-N 3.17Å; E179-K182 IonicContact OE2-NZ 3.38Å; E179-Q183 WeakPolarHBondContact O-CG 3.38Å; E179-Q183 PolarHBondContact O-N 3.43Å; E179-Q183 PolarHBondContact OE1-NE2 3.01Å
180	Q	94.6	Very high	94.4	Very high	120 Å²	120	103.3 Å²	103.3	56%	0.561	50%	0.503	S	S	*	.	H	α-helix	trans	-59.8	-44.9	173.7	-74	170.8	-4.8	0	0	112	T176 T177 K182 Q183 A184	T176-Q180 VanDerWaalsContact O-CG 3.28Å; T176-Q180 WeakPolarHBondContact O-CG 3.3Å; T176-Q180 PolarHBondContact O-N 2.8Å; T177-Q180 PolarHBondContact O-N 2.82Å; Q180-K182 VanDerWaalsContact C-N 3.33Å; Q180-K182 PolarHBondContact O-N 3.35Å; Q180-Q183 PolarHBondContact O-N 2.92Å; Q180-A184 WeakPolarHBondContact O-CB 3.49Å; Q180-A184 PolarHBondContact O-N 3.18Å
181	Q	93.6	Very high	94.5	Very high	122 Å²	122	101.8 Å²	101.8	57%	0.57	50%	0.498	S	S	*	.	H	α-helix	trans	-65.5	-36.8	177.1	-68.7	-60.4	-35.9	0	0	112.1	T177 A178 E179 A184 N185	T177-Q181 VanDerWaalsContact O-CG 3.3Å; T177-Q181 WeakPolarHBondContact O-CG 3.31Å; T177-Q181 PolarHBondContact O-N 3.09Å; A178-Q181 PolarHBondContact O-N 2.66Å; E179-Q181 PolarHBondContact O-N 2.89Å; Q181-A184 PolarHBondContact O-N 3.16Å; Q181-N185 WeakPolarHBondContact O-CB 3.46Å; Q181-N185 PolarHBondContact O-N 3.32Å; Q181-N185 PolarHBondContact O-ND2 2.93Å
182	K	95.2	Very high	94.7	Very high	136 Å²	136	103 Å²	103	59%	0.591	50%	0.501	S	S	*	.	H	α-helix	trans	-63.1	-43.4	173.8	-177.3	-174	172.4	-166.2	0	111.6	A178 E179 Q180 N185 S186	A178-K182 WeakPolarHBondContact O-CB 3.49Å; A178-K182 PolarHBondContact O-N 3.43Å; E179-K182 WeakPolarHBondContact O-CB 3.38Å; E179-K182 PolarHBondContact O-N 3.17Å; E179-K182 IonicContact OE2-NZ 3.38Å; Q180-K182 VanDerWaalsContact C-N 3.33Å; Q180-K182 PolarHBondContact O-N 3.35Å; K182-N185 PolarHBondContact O-N 2.93Å; K182-S186 WeakPolarHBondContact O-CB 3.48Å; K182-S186 PolarHBondContact O-N 3.03Å
183	Q	95	Very high	94.8	Very high	118 Å²	118	102.7 Å²	102.7	55%	0.551	50%	0.503	S	S	*	.	H	α-helix	trans	-65.4	-43.6	176.4	-70.5	174.7	10.5	0	0	111.7	E179 Q180 N185 S186 Q187	E179-Q183 WeakPolarHBondContact O-CG 3.38Å; E179-Q183 PolarHBondContact O-N 3.43Å; E179-Q183 PolarHBondContact OE1-NE2 3.01Å; Q180-Q183 PolarHBondContact O-N 2.92Å; Q183-N185 PolarHBondContact O-N 2.89Å; Q183-S186 PolarHBondContact O-N 2.7Å; Q183-Q187 PolarHBondContact O-N 2.87Å
184	A	95.4	Very high	94.8	Very high	47 Å²	47	101.3 Å²	101.3	39%	0.388	50%	0.503	S	S	.	.	H	α-helix	trans	-60.2	-45.7	175.3	0	0	0	0	0	112	Q180 Q181 S186 Q187 L188	Q180-A184 WeakPolarHBondContact O-CB 3.49Å; Q180-A184 PolarHBondContact O-N 3.18Å; Q181-A184 PolarHBondContact O-N 3.16Å; A184-S186 PolarHBondContact O-N 3.33Å; A184-Q187 PolarHBondContact O-N 2.89Å; A184-L188 WeakPolarHBondContact O-CG 3.42Å; A184-L188 PolarHBondContact O-N 3.5Å
185	N	92.3	Very high	95	Very high	84 Å²	84	98.1 Å²	98.1	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-42.2	174.8	-82.5	-39.5	0	0	0	112.2	Q181 K182 Q183 Q187 L188 H189	Q181-N185 WeakPolarHBondContact O-CB 3.46Å; Q181-N185 PolarHBondContact O-N 3.32Å; Q181-N185 PolarHBondContact O-ND2 2.93Å; K182-N185 PolarHBondContact O-N 2.93Å; Q183-N185 PolarHBondContact O-N 2.89Å; N185-Q187 VanDerWaalsContact C-N 3.26Å; N185-Q187 PolarHBondContact O-N 3.05Å; N185-L188 PolarHBondContact O-N 2.88Å; N185-H189 PolarHBondContact O-CD2 3.39Å; N185-H189 PolarHBondContact O-N 3.24Å
186	S	95.8	Very high	94.9	Very high	60 Å²	60	93 Å²	93	42%	0.42	48%	0.482	S	S	.	.	H	α-helix	trans	-60.8	-37.6	175.7	-177.5	0	0	0	0	111.9	K182 Q183 A184 K190	K182-S186 WeakPolarHBondContact O-CB 3.48Å; K182-S186 PolarHBondContact O-N 3.03Å; Q183-S186 PolarHBondContact O-N 2.7Å; A184-S186 PolarHBondContact O-N 3.33Å; S186-K190 WeakPolarHBondContact O-CG 3.32Å; S186-K190 PolarHBondContact O-N 3.35Å
187	Q	95.6	Very high	95.1	Very high	93 Å²	93	92 Å²	92	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-69.9	-42.3	176.1	-170.5	59.4	43.3	0	0	111.8	Q183 A184 N185 H189 K190 N191	Q183-Q187 PolarHBondContact O-N 2.87Å; A184-Q187 PolarHBondContact O-N 2.89Å; N185-Q187 VanDerWaalsContact C-N 3.26Å; N185-Q187 PolarHBondContact O-N 3.05Å; Q187-H189 VanDerWaalsContact C-N 3.31Å; Q187-H189 PolarHBondContact O-N 2.77Å; Q187-K190 PolarHBondContact O-N 2.87Å; Q187-N191 PolarHBondContact NE2-OD1 2.98Å; Q187-N191 VanDerWaalsContact O-CG 3.24Å; Q187-N191 PolarHBondContact O-N 2.86Å; Q187-N191 PolarHBondContact O-OD1 3.37Å; Q187-N191 VanDerWaalsContact O-OD1 3.12Å
188	L	95.9	Very high	95.2	Very high	109 Å²	109	92.4 Å²	92.4	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-61	-39.3	175.9	-72.8	173.8	0	0	0	112.3	A184 N185 N191 L192	A184-L188 WeakPolarHBondContact O-CG 3.42Å; A184-L188 PolarHBondContact O-N 3.5Å; N185-L188 PolarHBondContact O-N 2.88Å; L188-N191 PolarHBondContact O-N 2.88Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 PolarHBondContact O-N 2.99Å
189	H	96.1	Very high	95.3	Very high	116 Å²	116	95.4 Å²	95.4	54%	0.537	49%	0.486	S	S	.	.	H	α-helix	trans	-62.2	-45.7	174	-78.8	-62	0	0	0	112.1	N185 Q187 N191 L192 D193	N185-H189 PolarHBondContact O-CD2 3.39Å; N185-H189 PolarHBondContact O-N 3.24Å; Q187-H189 VanDerWaalsContact C-N 3.31Å; Q187-H189 PolarHBondContact O-N 2.77Å; H189-N191 PolarHBondContact O-N 2.83Å; H189-L192 WeakPolarHBondContact O-CB 3.4Å; H189-L192 PolarHBondContact O-N 3.05Å; H189-D193 VanDerWaalsContact O-CG 3.29Å; H189-D193 PolarHBondContact O-N 3.44Å
190	K	96.5	Very high	95.4	Very high	111 Å²	111	96.7 Å²	96.7	48%	0.483	49%	0.493	S	S	.	.	H	α-helix	trans	-58.8	-46.9	175	-71	176.4	-178	179.5	0	111.9	S186 Q187 L192 D193 E194	S186-K190 WeakPolarHBondContact O-CG 3.32Å; S186-K190 PolarHBondContact O-N 3.35Å; Q187-K190 PolarHBondContact O-N 2.87Å; K190-L192 VanDerWaalsContact C-N 3.28Å; K190-L192 PolarHBondContact O-N 2.8Å; K190-D193 PolarHBondContact O-N 2.85Å; K190-E194 WeakPolarHBondContact O-CB 3.47Å; K190-E194 WeakPolarHBondContact O-CG 3.19Å; K190-E194 PolarHBondContact O-N 2.82Å
191	N	96.1	Very high	95.4	Very high	73 Å²	73	94.6 Å²	94.6	39%	0.39	49%	0.488	S	S	.	.	H	α-helix	trans	-61.6	-38.2	178.1	-64.9	5.7	0	0	0	111.6	Q187 L188 H189 E195	Q187-N191 PolarHBondContact NE2-OD1 2.98Å; Q187-N191 VanDerWaalsContact O-CG 3.24Å; Q187-N191 PolarHBondContact O-N 2.86Å; Q187-N191 PolarHBondContact O-OD1 3.37Å; Q187-N191 VanDerWaalsContact O-OD1 3.12Å; L188-N191 PolarHBondContact O-N 2.88Å; H189-N191 PolarHBondContact O-N 2.83Å; N191-E195 WeakPolarHBondContact O-CB 3.43Å; N191-E195 PolarHBondContact O-N 2.97Å
192	L	96.8	Very high	95.4	Very high	99 Å²	99	92.4 Å²	92.4	52%	0.518	49%	0.486	S	S	.	.	H	α-helix	trans	-66.3	-39.6	176.3	178.4	63.9	0	0	0	112	L188 H189 K190 T196	L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 PolarHBondContact O-N 2.99Å; H189-L192 WeakPolarHBondContact O-CB 3.4Å; H189-L192 PolarHBondContact O-N 3.05Å; K190-L192 VanDerWaalsContact C-N 3.28Å; K190-L192 PolarHBondContact O-N 2.8Å; L192-T196 WeakPolarHBondContact O-CB 3.33Å; L192-T196 PolarHBondContact O-N 2.87Å; L192-T196 PolarHBondContact O-OG1 3.28Å
193	D	96	Very high	95.5	Very high	106 Å²	106	91.3 Å²	91.3	57%	0.567	48%	0.482	S	S	*	.	H	α-helix	trans	-67.4	-43.2	176.5	-67.8	-24.3	0	0	0	111	H189 K190 T196 A197	H189-D193 VanDerWaalsContact O-CG 3.29Å; H189-D193 PolarHBondContact O-N 3.44Å; K190-D193 PolarHBondContact O-N 2.85Å; D193-T196 PolarHBondContact O-N 3.26Å; D193-A197 WeakPolarHBondContact O-CB 3.16Å; D193-A197 PolarHBondContact O-N 3.49Å
194	E	95.8	Very high	95.4	Very high	118 Å²	118	89.1 Å²	89.1	55%	0.551	48%	0.48	S	S	*	.	H	α-helix	trans	-61.9	-45.1	175.6	-73.9	170.1	-166.7	0	0	112.2	K190 T196 A197 S198	K190-E194 WeakPolarHBondContact O-CB 3.47Å; K190-E194 WeakPolarHBondContact O-CG 3.19Å; K190-E194 PolarHBondContact O-N 2.82Å; E194-T196 VanDerWaalsContact C-N 3.33Å; E194-A197 PolarHBondContact O-N 3.48Å; E194-S198 WeakPolarHBondContact O-CB 3.28Å; E194-S198 PolarHBondContact O-N 3.45Å; E194-S198 PolarHBondContact O-OG 2.91Å
195	E	94.8	Very high	95.5	Very high	121 Å²	121	92.7 Å²	92.7	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-65.8	-38	175.2	-179.7	59.1	-156.1	0	0	111.3	N191 S198 R199	N191-E195 WeakPolarHBondContact O-CB 3.43Å; N191-E195 PolarHBondContact O-N 2.97Å; E195-S198 PolarHBondContact O-N 3.46Å; E195-R199 WeakPolarHBondContact O-CB 3.39Å; E195-R199 PolarHBondContact O-N 3.47Å
196	T	94.4	Very high	95.7	Very high	45 Å²	45	93 Å²	93	28%	0.276	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-41.4	176.1	-66.4	0	0	0	0	111.7	L192 D193 E194 R199 M200	L192-T196 WeakPolarHBondContact O-CB 3.33Å; L192-T196 PolarHBondContact O-N 2.87Å; L192-T196 PolarHBondContact O-OG1 3.28Å; D193-T196 PolarHBondContact O-N 3.26Å; E194-T196 VanDerWaalsContact C-N 3.33Å; T196-R199 PolarHBondContact O-N 3.47Å; T196-M200 VanDerWaalsContact O-CG 3.27Å; T196-M200 WeakPolarHBondContact O-CG 3.05Å; T196-M200 PolarHBondContact O-N 3.05Å
197	A	95.5	Very high	95.7	Very high	57 Å²	57	94.4 Å²	94.4	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-62	-47.6	173.5	0	0	0	0	0	111.2	D193 E194 R199 M200 T201	D193-A197 WeakPolarHBondContact O-CB 3.16Å; D193-A197 PolarHBondContact O-N 3.49Å; E194-A197 PolarHBondContact O-N 3.48Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.24Å; A197-M200 PolarHBondContact O-N 2.98Å; A197-M200 VanDerWaalsContact O-N 3.14Å; A197-T201 WeakPolarHBondContact O-CG2 3.18Å; A197-T201 PolarHBondContact O-N 3.13Å; A197-T201 PolarHBondContact O-OG1 3.3Å
198	S	95.4	Very high	95.7	Very high	66 Å²	66	93 Å²	93	46%	0.462	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-36.8	178.4	-56.9	0	0	0	0	112.7	E194 E195 T201 C202	E194-S198 WeakPolarHBondContact O-CB 3.28Å; E194-S198 PolarHBondContact O-N 3.45Å; E194-S198 PolarHBondContact O-OG 2.91Å; E195-S198 PolarHBondContact O-N 3.46Å; S198-T201 WeakPolarHBondContact CA-OG1 3.38Å; S198-T201 PolarHBondContact O-OG1 3.35Å; S198-C202 WeakPolarHBondContact O-CB 3.35Å; S198-C202 PolarHBondContact O-N 2.9Å; S198-C202 VanDerWaalsContact O-N 3.1Å
199	R	96.7	Very high	95.7	Very high	122 Å²	122	92.6 Å²	92.6	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-67.1	-42.6	173.6	-174.1	-178.8	66.1	-108.2	-0.5	111.9	E195 T196 A197 C202 Q203	E195-R199 WeakPolarHBondContact O-CB 3.39Å; E195-R199 PolarHBondContact O-N 3.47Å; T196-R199 PolarHBondContact O-N 3.47Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.24Å; R199-C202 PolarHBondContact O-N 3.28Å; R199-Q203 WeakPolarHBondContact O-CB 3.22Å; R199-Q203 PolarHBondContact O-N 2.89Å
200	M	95.4	Very high	95.7	Very high	108 Å²	108	92.3 Å²	92.3	53%	0.532	48%	0.482	S	S	.	.	H	α-helix	trans	-65.8	-39.9	178.7	-71.4	-62.6	-61.3	0	0	112.1	T196 A197 Q203 S204	T196-M200 VanDerWaalsContact O-CG 3.27Å; T196-M200 WeakPolarHBondContact O-CG 3.05Å; T196-M200 PolarHBondContact O-N 3.05Å; A197-M200 PolarHBondContact O-N 2.98Å; A197-M200 VanDerWaalsContact O-N 3.14Å; M200-Q203 PolarHBondContact O-N 2.98Å; M200-S204 WeakPolarHBondContact O-CB 3.45Å; M200-S204 PolarHBondContact O-N 3.31Å
201	T	95.3	Very high	95.7	Very high	76 Å²	76	92.4 Å²	92.4	47%	0.466	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-49.4	174.7	54.6	0	0	0	0	110.8	A197 S198 Q203 S204 E205	A197-T201 WeakPolarHBondContact O-CG2 3.18Å; A197-T201 PolarHBondContact O-N 3.13Å; A197-T201 PolarHBondContact O-OG1 3.3Å; S198-T201 WeakPolarHBondContact CA-OG1 3.38Å; S198-T201 PolarHBondContact O-OG1 3.35Å; T201-Q203 VanDerWaalsContact C-N 3.31Å; T201-Q203 PolarHBondContact O-N 3.43Å; T201-S204 WeakPolarHBondContact O-CB 3.49Å; T201-S204 PolarHBondContact O-N 3.42Å; T201-S204 VanDerWaalsContact O-N 3.1Å; T201-E205 WeakPolarHBondContact O-CG 3.49Å; T201-E205 PolarHBondContact O-N 2.88Å
202	C	94	Very high	95.7	Very high	76 Å²	76	93 Å²	93	51%	0.514	48%	0.484	S	S	.	.	H	α-helix	trans	-58.9	-40.2	176.6	-178.4	0	0	0	0	112.2	S198 R199 E205 M206	S198-C202 WeakPolarHBondContact O-CB 3.35Å; S198-C202 PolarHBondContact O-N 2.9Å; S198-C202 VanDerWaalsContact O-N 3.1Å; R199-C202 PolarHBondContact O-N 3.28Å; C202-E205 PolarHBondContact O-N 3.5Å; C202-M206 VanDerWaalsContact O-CB 3.32Å; C202-M206 WeakPolarHBondContact O-CB 3.47Å; C202-M206 PolarHBondContact O-N 3.37Å
203	Q	96.4	Very high	95.5	Very high	112 Å²	112	93 Å²	93	52%	0.523	48%	0.483	S	S	.	.	H	α-helix	trans	-65.6	-40.2	175.5	-177	176.9	-16.4	0	0	112.3	R199 M200 T201 M206 Q207	R199-Q203 WeakPolarHBondContact O-CB 3.22Å; R199-Q203 PolarHBondContact O-N 2.89Å; M200-Q203 PolarHBondContact O-N 2.98Å; T201-Q203 VanDerWaalsContact C-N 3.31Å; T201-Q203 PolarHBondContact O-N 3.43Å; Q203-M206 HydrophobicContact CG-CE 4.47Å; Q203-Q207 WeakPolarHBondContact O-CB 3.42Å; Q203-Q207 PolarHBondContact O-N 2.78Å
204	S	92.7	Very high	95.4	Very high	73 Å²	73	92.5 Å²	92.5	51%	0.51	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-43.2	176.7	-172.3	0	0	0	0	111.7	M200 T201 Q207 T208	M200-S204 WeakPolarHBondContact O-CB 3.45Å; M200-S204 PolarHBondContact O-N 3.31Å; T201-S204 WeakPolarHBondContact O-CB 3.49Å; T201-S204 PolarHBondContact O-N 3.42Å; T201-S204 VanDerWaalsContact O-N 3.1Å; S204-Q207 PolarHBondContact O-N 2.72Å; S204-T208 WeakPolarHBondContact O-CB 3.45Å; S204-T208 PolarHBondContact O-N 2.97Å; S204-T208 PolarHBondContact O-OG1 3.21Å
205	E	96.9	Very high	95.4	Very high	121 Å²	121	91.8 Å²	91.8	57%	0.565	47%	0.472	S	S	*	.	H	α-helix	trans	-62.4	-46.9	175.3	-71.7	168.8	-169.5	0	0	110.9	T201 C202 Q207 T208 L209	T201-E205 WeakPolarHBondContact O-CG 3.49Å; T201-E205 PolarHBondContact O-N 2.88Å; C202-E205 PolarHBondContact O-N 3.5Å; E205-Q207 VanDerWaalsContact C-N 3.29Å; E205-Q207 PolarHBondContact O-N 3.08Å; E205-T208 PolarHBondContact O-N 3.4Å; E205-L209 WeakPolarHBondContact O-CG 3.27Å; E205-L209 PolarHBondContact O-N 3.37Å
206	M	96.6	Very high	95.3	Very high	91 Å²	91	91.8 Å²	91.8	45%	0.448	47%	0.468	S	S	.	.	H	α-helix	trans	-59	-40.4	175.5	-177.8	-169.8	58.4	0	0	111.8	C202 Q203 K210	C202-M206 VanDerWaalsContact O-CB 3.32Å; C202-M206 WeakPolarHBondContact O-CB 3.47Å; C202-M206 PolarHBondContact O-N 3.37Å; Q203-M206 HydrophobicContact CG-CE 4.47Å; M206-K210 WeakPolarHBondContact O-CG 3.31Å; M206-K210 PolarHBondContact O-N 2.88Å
207	Q	96.5	Very high	95.3	Very high	90 Å²	90	95.9 Å²	95.9	42%	0.421	48%	0.478	S	S	.	.	H	α-helix	trans	-67.1	-43.8	177.4	-179.1	59.7	21.4	0	0	111.6	Q203 S204 E205 L209 K210 E211	Q203-Q207 WeakPolarHBondContact O-CB 3.42Å; Q203-Q207 PolarHBondContact O-N 2.78Å; S204-Q207 PolarHBondContact O-N 2.72Å; E205-Q207 VanDerWaalsContact C-N 3.29Å; E205-Q207 PolarHBondContact O-N 3.08Å; Q207-L209 PolarHBondContact O-N 2.92Å; Q207-K210 WeakPolarHBondContact O-CB 3.44Å; Q207-K210 PolarHBondContact O-N 3.39Å; Q207-K210 VanDerWaalsContact O-N 3.17Å; Q207-E211 PolarHBondContact NE2-OE1 2.97Å; Q207-E211 WeakPolarHBondContact O-CG 3.33Å; Q207-E211 PolarHBondContact O-N 3.39Å
208	T	95.7	Very high	95.2	Very high	62 Å²	62	100.1 Å²	100.1	38%	0.38	48%	0.482	S	S	.	.	H	α-helix	trans	-58.2	-47.8	176.4	-53.6	0	0	0	0	110.7	S204 E205 K210 E211 E212	S204-T208 WeakPolarHBondContact O-CB 3.45Å; S204-T208 PolarHBondContact O-N 2.97Å; S204-T208 PolarHBondContact O-OG1 3.21Å; E205-T208 PolarHBondContact O-N 3.4Å; T208-K210 VanDerWaalsContact C-N 3.32Å; T208-K210 PolarHBondContact O-N 3.39Å; T208-E211 PolarHBondContact O-N 3.03Å; T208-E212 WeakPolarHBondContact O-CG 3.29Å; T208-E212 PolarHBondContact O-N 3.38Å
209	L	96	Very high	95.3	Very high	102 Å²	102	99.6 Å²	99.6	53%	0.534	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-35.3	177.4	-72.7	169.7	0	0	0	112.9	E205 Q207 M213	E205-L209 WeakPolarHBondContact O-CG 3.27Å; E205-L209 PolarHBondContact O-N 3.37Å; Q207-L209 PolarHBondContact O-N 2.92Å; L209-M213 WeakPolarHBondContact O-CB 3.39Å; L209-M213 VanDerWaalsContact O-CG 3.24Å; L209-M213 WeakPolarHBondContact O-CG 3.4Å; L209-M213 PolarHBondContact O-N 3.44Å
210	K	96.1	Very high	95	Very high	110 Å²	110	98.5 Å²	98.5	48%	0.478	48%	0.476	S	S	.	.	H	α-helix	trans	-64.8	-43.7	174	-77.4	173.7	-177.5	175.8	0	111.5	M206 Q207 T208 M213 E214	M206-K210 WeakPolarHBondContact O-CG 3.31Å; M206-K210 PolarHBondContact O-N 2.88Å; Q207-K210 WeakPolarHBondContact O-CB 3.44Å; Q207-K210 PolarHBondContact O-N 3.39Å; Q207-K210 VanDerWaalsContact O-N 3.17Å; T208-K210 VanDerWaalsContact C-N 3.32Å; T208-K210 PolarHBondContact O-N 3.39Å; K210-M213 PolarHBondContact O-N 3.32Å; K210-E214 WeakPolarHBondContact O-CG 3.5Å; K210-E214 PolarHBondContact O-N 2.84Å
211	E	95.6	Very high	94.8	Very high	112 Å²	112	99 Å²	99	52%	0.523	48%	0.477	S	S	.	.	H	α-helix	trans	-65.1	-40.5	177.7	-70.9	171.7	-167.2	0	0	111.9	Q207 T208 E214 F215	Q207-E211 PolarHBondContact NE2-OE1 2.97Å; Q207-E211 WeakPolarHBondContact O-CG 3.33Å; Q207-E211 PolarHBondContact O-N 3.39Å; T208-E211 PolarHBondContact O-N 3.03Å; E211-E214 PolarHBondContact O-N 3.5Å; E211-F215 WeakPolarHBondContact O-CB 3.28Å; E211-F215 PolarHBondContact O-N 3.01Å
212	E	96.3	Very high	94.6	Very high	87 Å²	87	101 Å²	101	41%	0.407	48%	0.481	S	S	.	.	H	α-helix	trans	-61.8	-47	173.1	-73.7	179.7	-178.9	0	0	111.9	T208 E214 F215 Y216	T208-E212 WeakPolarHBondContact O-CG 3.29Å; T208-E212 PolarHBondContact O-N 3.38Å; E212-E214 VanDerWaalsContact C-N 3.34Å; E212-E214 PolarHBondContact O-N 3.18Å; E212-F215 WeakPolarHBondContact O-CA 3.09Å; E212-F215 WeakPolarHBondContact O-CB 3.47Å; E212-F215 PolarHBondContact O-N 2.92Å; E212-F215 VanDerWaalsContact O-N 3.1Å; E212-Y216 HydrophobicContact CB-CD2 4.47Å; E212-Y216 HydrophobicContact CB-CE2 4.23Å; E212-Y216 WeakPolarHBondContact O-CD2 3.33Å; E212-Y216 PolarHBondContact O-N 3.31Å
213	M	92.9	Very high	94.5	Very high	97 Å²	97	101.9 Å²	101.9	48%	0.478	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-41.7	177.3	-75.5	-65.4	-62	0	0	112.3	L209 K210 F215 R217	L209-M213 WeakPolarHBondContact O-CB 3.39Å; L209-M213 VanDerWaalsContact O-CG 3.24Å; L209-M213 WeakPolarHBondContact O-CG 3.4Å; L209-M213 PolarHBondContact O-N 3.44Å; K210-M213 PolarHBondContact O-N 3.32Å; M213-F215 VanDerWaalsContact C-N 3.32Å; M213-R217 WeakPolarHBondContact O-CB 3.5Å; M213-R217 VanDerWaalsContact O-CG 3.29Å; M213-R217 WeakPolarHBondContact O-CG 3.45Å; M213-R217 PolarHBondContact O-N 3.5Å
214	E	94.6	Very high	93.9	Very high	97 Å²	97	100 Å²	100	45%	0.453	47%	0.471	S	S	.	.	H	α-helix	trans	-66	-34.2	173.8	-74.1	-58.3	137.2	0	0	112.5	K210 E211 E212 R217 R218	K210-E214 WeakPolarHBondContact O-CG 3.5Å; K210-E214 PolarHBondContact O-N 2.84Å; E211-E214 PolarHBondContact O-N 3.5Å; E212-E214 VanDerWaalsContact C-N 3.34Å; E212-E214 PolarHBondContact O-N 3.18Å; E214-R217 IonicContact OE1-CZ 2.79Å; E214-R217 IonicContact OE1-NH1 3.31Å; E214-R217 PolarHBondContact OE1-NH1 3.28Å; E214-R218 WeakPolarHBondContact O-CG 3.2Å; E214-R218 PolarHBondContact O-N 3.35Å; E214-R218 PolarHBondContact O-NE 2.93Å
215	F	95	Very high	93.4	Very high	102 Å²	102	102.3 Å²	102.3	45%	0.447	47%	0.473	S	S	.	.	H	α-helix	trans	-64.3	-51.8	173.1	173.1	-97.6	0	0	0	111.8	E211 E212 M213 R217 R218 V219	E211-F215 WeakPolarHBondContact O-CB 3.28Å; E211-F215 PolarHBondContact O-N 3.01Å; E212-F215 WeakPolarHBondContact O-CA 3.09Å; E212-F215 WeakPolarHBondContact O-CB 3.47Å; E212-F215 PolarHBondContact O-N 2.92Å; E212-F215 VanDerWaalsContact O-N 3.1Å; M213-F215 VanDerWaalsContact C-N 3.32Å; F215-R217 VanDerWaalsContact C-N 3.32Å; F215-R217 PolarHBondContact O-N 3.36Å; F215-R218 PolarHBondContact O-N 2.78Å; F215-R218 VanDerWaalsContact O-N 3.12Å; F215-V219 HydrophobicContact CD1-CG2 4.29Å; F215-V219 HydrophobicContact CD2-CG2 4.39Å; F215-V219 HydrophobicContact CE1-CG2 3.83Å; F215-V219 HydrophobicContact CE2-CG2 3.94Å; F215-V219 HydrophobicContact CZ-CG2 3.64Å; F215-V219 WeakPolarHBondContact O-CG2 3.33Å; F215-V219 PolarHBondContact O-N 3.29Å
216	Y	94.3	Very high	92.8	Very high	121 Å²	121	101.5 Å²	101.5	48%	0.475	47%	0.469	S	S	.	.	H	α-helix	trans	-61.2	-39.4	178.4	-71.3	-62.8	0	0	0	112.3	E212 R218 V219 H220	E212-Y216 HydrophobicContact CB-CD2 4.47Å; E212-Y216 HydrophobicContact CB-CE2 4.23Å; E212-Y216 WeakPolarHBondContact O-CD2 3.33Å; E212-Y216 PolarHBondContact O-N 3.31Å; Y216-R218 VanDerWaalsContact C-N 3.33Å; Y216-R218 PolarHBondContact O-N 3.28Å; Y216-V219 PolarHBondContact O-N 3.43Å; Y216-H220 WeakPolarHBondContact O-CB 3.36Å; Y216-H220 PolarHBondContact O-CD2 3.41Å; Y216-H220 VanDerWaalsContact O-CD2 3.28Å; Y216-H220 PolarHBondContact O-N 3.26Å
217	R	93.5	Very high	91.9	Very high	132 Å²	132	102.2 Å²	102.2	50%	0.498	47%	0.474	S	S	.	.	H	α-helix	trans	-58.1	-43.9	173.7	-76.7	177.3	-169	120.9	9.4	112.1	M213 E214 F215 Q221	M213-R217 WeakPolarHBondContact O-CB 3.5Å; M213-R217 VanDerWaalsContact O-CG 3.29Å; M213-R217 WeakPolarHBondContact O-CG 3.45Å; M213-R217 PolarHBondContact O-N 3.5Å; E214-R217 IonicContact OE1-CZ 2.79Å; E214-R217 IonicContact OE1-NH1 3.31Å; E214-R217 PolarHBondContact OE1-NH1 3.28Å; F215-R217 VanDerWaalsContact C-N 3.32Å; F215-R217 PolarHBondContact O-N 3.36Å; R217-Q221 VanDerWaalsContact O-CB 3.24Å; R217-Q221 WeakPolarHBondContact O-CB 3.31Å; R217-Q221 PolarHBondContact O-N 3Å
218	R	94.3	Very high	91	Very high	145 Å²	145	105.9 Å²	105.9	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-65.8	-44	177.5	-77.8	-179.1	-79.2	108.3	-6.7	112.3	E214 F215 Y216 Q221 Q222	E214-R218 WeakPolarHBondContact O-CG 3.2Å; E214-R218 PolarHBondContact O-N 3.35Å; E214-R218 PolarHBondContact O-NE 2.93Å; F215-R218 PolarHBondContact O-N 2.78Å; F215-R218 VanDerWaalsContact O-N 3.12Å; Y216-R218 VanDerWaalsContact C-N 3.33Å; Y216-R218 PolarHBondContact O-N 3.28Å; R218-Q221 PolarHBondContact O-N 2.95Å; R218-Q222 PolarHBondContact O-N 3.38Å
219	V	96	Very high	90	Very high	56 Å²	56	106.6 Å²	106.6	34%	0.339	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-49.9	178.3	172.7	0	0	0	0	110.9	F215 Y216 Q221 Q222 E223	F215-V219 HydrophobicContact CD1-CG2 4.29Å; F215-V219 HydrophobicContact CD2-CG2 4.39Å; F215-V219 HydrophobicContact CE1-CG2 3.83Å; F215-V219 HydrophobicContact CE2-CG2 3.94Å; F215-V219 HydrophobicContact CZ-CG2 3.64Å; F215-V219 WeakPolarHBondContact O-CG2 3.33Å; F215-V219 PolarHBondContact O-N 3.29Å; Y216-V219 PolarHBondContact O-N 3.43Å; V219-Q221 VanDerWaalsContact C-N 3.34Å; V219-Q221 PolarHBondContact O-N 3.38Å; V219-Q222 WeakPolarHBondContact O-CB 3.37Å; V219-Q222 PolarHBondContact O-N 2.73Å; V219-E223 WeakPolarHBondContact O-CB 3.34Å; V219-E223 PolarHBondContact O-N 3.21Å
220	H	91.5	Very high	88.7	Confident	99 Å²	99	107.5 Å²	107.5	46%	0.458	50%	0.495	S	S	.	.	H	α-helix	trans	-66.2	-35.6	178.7	-69.2	-41.4	0	0	0	112.7	Y216 Q222 E223 I224	Y216-H220 WeakPolarHBondContact O-CB 3.36Å; Y216-H220 PolarHBondContact O-CD2 3.41Å; Y216-H220 VanDerWaalsContact O-CD2 3.28Å; Y216-H220 PolarHBondContact O-N 3.26Å; H220-Q222 VanDerWaalsContact C-N 3.28Å; H220-Q222 PolarHBondContact O-N 2.92Å; H220-E223 IonicContact ND1-OE2 3.14Å; H220-E223 PolarHBondContact ND1-OE2 3.17Å; H220-E223 PolarHBondContact O-N 2.96Å; H220-I224 WeakPolarHBondContact O-CB 3.38Å; H220-I224 WeakPolarHBondContact O-CD1 3.29Å; H220-I224 WeakPolarHBondContact O-CG1 3.48Å; H220-I224 PolarHBondContact O-N 3Å
221	Q	90.6	Very high	87.2	Confident	118 Å²	118	108.2 Å²	108.2	55%	0.551	50%	0.504	S	S	*	.	H	α-helix	trans	-61.9	-39.8	174.3	-175.8	59.8	41.2	0	0	111.4	R217 R218 V219 E225	R217-Q221 VanDerWaalsContact O-CB 3.24Å; R217-Q221 WeakPolarHBondContact O-CB 3.31Å; R217-Q221 PolarHBondContact O-N 3Å; R218-Q221 PolarHBondContact O-N 2.95Å; V219-Q221 VanDerWaalsContact C-N 3.34Å; V219-Q221 PolarHBondContact O-N 3.38Å; Q221-E225 PolarHBondContact O-N 3.18Å
222	Q	92.4	Very high	85.5	Confident	119 Å²	119	109.2 Å²	109.2	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-68.7	-46.1	175.3	-176.7	-179.5	-15.7	0	0	111.7	R218 V219 H220 I224 E225 E226	R218-Q222 PolarHBondContact O-N 3.38Å; V219-Q222 WeakPolarHBondContact O-CB 3.37Å; V219-Q222 PolarHBondContact O-N 2.73Å; H220-Q222 VanDerWaalsContact C-N 3.28Å; H220-Q222 PolarHBondContact O-N 2.92Å; Q222-I224 VanDerWaalsContact C-N 3.31Å; Q222-I224 PolarHBondContact O-N 2.94Å; Q222-E225 WeakPolarHBondContact O-CA 3.35Å; Q222-E225 WeakPolarHBondContact O-CB 3.38Å; Q222-E225 PolarHBondContact O-N 2.83Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.41Å; Q222-E226 PolarHBondContact NE2-OE1 3.15Å; Q222-E226 WeakPolarHBondContact O-CG 3.45Å; Q222-E226 PolarHBondContact O-N 2.91Å
223	E	91.8	Very high	83.6	Confident	93 Å²	93	111.3 Å²	111.3	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-60.3	-40.7	178.1	-174.6	179.9	-167.1	0	0	111.7	V219 H220 E225 E226 L227	V219-E223 WeakPolarHBondContact O-CB 3.34Å; V219-E223 PolarHBondContact O-N 3.21Å; H220-E223 IonicContact ND1-OE2 3.14Å; H220-E223 PolarHBondContact ND1-OE2 3.17Å; H220-E223 PolarHBondContact O-N 2.96Å; E223-E225 VanDerWaalsContact C-N 3.3Å; E223-E225 PolarHBondContact O-N 3.09Å; E223-E226 PolarHBondContact O-N 3.48Å; E223-L227 HydrophobicContact CG-CD1 4.18Å; E223-L227 HydrophobicContact CG-CG 4.48Å; E223-L227 WeakPolarHBondContact O-CB 3.34Å; E223-L227 WeakPolarHBondContact O-CG 3.46Å; E223-L227 PolarHBondContact O-N 3.37Å
224	I	82.9	Confident	81.5	Confident	74 Å²	74	112.2 Å²	112.2	38%	0.379	54%	0.538	S	S	.	.	H	α-helix	trans	-62.5	-39.3	174.2	-71.4	166.4	0	0	0	110.8	H220 Q222 R228	H220-I224 WeakPolarHBondContact O-CB 3.38Å; H220-I224 WeakPolarHBondContact O-CD1 3.29Å; H220-I224 WeakPolarHBondContact O-CG1 3.48Å; H220-I224 PolarHBondContact O-N 3Å; Q222-I224 VanDerWaalsContact C-N 3.31Å; Q222-I224 PolarHBondContact O-N 2.94Å; I224-R228 HydrophobicContact CG2-CG 4.42Å; I224-R228 VanDerWaalsContact CG2-NE 3.25Å; I224-R228 VanDerWaalsContact O-CB 3.29Å; I224-R228 WeakPolarHBondContact O-CB 3.48Å; I224-R228 WeakPolarHBondContact O-CD 3.39Å; I224-R228 WeakPolarHBondContact O-CG 3.38Å; I224-R228 PolarHBondContact O-N 2.94Å
225	E	83.2	Confident	79.1	Confident	120 Å²	120	115 Å²	115	56%	0.561	56%	0.556	S	S	*	*	H	α-helix	trans	-67	-41.7	176.7	-164.1	63.5	-153.2	0	0	111.4	Q221 Q222 E223 R228 S229	Q221-E225 PolarHBondContact O-N 3.18Å; Q222-E225 WeakPolarHBondContact O-CA 3.35Å; Q222-E225 WeakPolarHBondContact O-CB 3.38Å; Q222-E225 PolarHBondContact O-N 2.83Å; E223-E225 VanDerWaalsContact C-N 3.3Å; E223-E225 PolarHBondContact O-N 3.09Å; E225-R228 PolarHBondContact O-N 3.19Å; E225-S229 WeakPolarHBondContact O-CB 2.93Å; E225-S229 PolarHBondContact O-N 3.18Å
226	E	82.7	Confident	76.9	Confident	104 Å²	104	116.8 Å²	116.8	49%	0.486	57%	0.57	S	S	.	*	H	α-helix	trans	-66.1	-43.8	176.4	-71.2	177.1	-167.4	0	0	112.1	Q222 E223 S229 M230	Q222-E226 WeakPolarHBondContact CG-OE1 3.41Å; Q222-E226 PolarHBondContact NE2-OE1 3.15Å; Q222-E226 WeakPolarHBondContact O-CG 3.45Å; Q222-E226 PolarHBondContact O-N 2.91Å; E223-E226 PolarHBondContact O-N 3.48Å; E226-S229 WeakPolarHBondContact O-CB 3.26Å; E226-S229 PolarHBondContact O-N 3.38Å; E226-M230 WeakPolarHBondContact O-CB 3.36Å; E226-M230 PolarHBondContact O-N 3.41Å
227	L	78.4	Confident	74.7	Confident	106 Å²	106	118.1 Å²	118.1	56%	0.555	59%	0.585	S	S	*	*	H	α-helix	trans	-66.6	-39	175.7	-73.1	175	0	0	0	111.9	E223 S229 M230 N231	E223-L227 HydrophobicContact CG-CD1 4.18Å; E223-L227 HydrophobicContact CG-CG 4.48Å; E223-L227 WeakPolarHBondContact O-CB 3.34Å; E223-L227 WeakPolarHBondContact O-CG 3.46Å; E223-L227 PolarHBondContact O-N 3.37Å; L227-S229 VanDerWaalsContact C-N 3.3Å; L227-S229 PolarHBondContact O-N 3.46Å; L227-M230 PolarHBondContact O-N 2.88Å; L227-N231 VanDerWaalsContact O-CB 3.23Å; L227-N231 WeakPolarHBondContact O-CB 3.28Å; L227-N231 PolarHBondContact O-N 3.46Å
228	R	77.5	Confident	72.9	Confident	167 Å²	167	120.3 Å²	120.3	63%	0.63	60%	0.601	S	S	*	*	H	α-helix	trans	-62.9	-38.4	172.6	-76.2	172	-172.1	-95.9	0.8	111.3	I224 E225 N232	I224-R228 HydrophobicContact CG2-CG 4.42Å; I224-R228 VanDerWaalsContact CG2-NE 3.25Å; I224-R228 VanDerWaalsContact O-CB 3.29Å; I224-R228 WeakPolarHBondContact O-CB 3.48Å; I224-R228 WeakPolarHBondContact O-CD 3.39Å; I224-R228 WeakPolarHBondContact O-CG 3.38Å; I224-R228 PolarHBondContact O-N 2.94Å; E225-R228 PolarHBondContact O-N 3.19Å; R228-N232 PolarHBondContact O-ND2 3.25Å
229	S	75.4	Confident	71	Confident	78 Å²	78	117.2 Å²	117.2	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-63.4	-43.4	173	-177.1	0	0	0	0	111.9	E225 E226 L227	E225-S229 WeakPolarHBondContact O-CB 2.93Å; E225-S229 PolarHBondContact O-N 3.18Å; E226-S229 WeakPolarHBondContact O-CB 3.26Å; E226-S229 PolarHBondContact O-N 3.38Å; L227-S229 VanDerWaalsContact C-N 3.3Å; L227-S229 PolarHBondContact O-N 3.46Å
230	M	69	Low	69.3	Low	121 Å²	121	118.4 Å²	118.4	60%	0.596	60%	0.603	S	S	*	*	H	α-helix	trans	-73.5	-40.7	-178	-149.1	77.9	77.9	0	0	113.3	E226 L227 N232 N233	E226-M230 WeakPolarHBondContact O-CB 3.36Å; E226-M230 PolarHBondContact O-N 3.41Å; L227-M230 PolarHBondContact O-N 2.88Å; M230-N232 PolarHBondContact O-N 3.38Å; M230-N233 PolarHBondContact O-N 3.14Å
231	N	64.3	Low	68	Low	124 Å²	124	118.3 Å²	118.3	66%	0.663	60%	0.602	S	S	*	*	H	α-helix	trans	-64.3	-21.9	-179	-173.8	66.3	0	0	0	112.7	L227 N233	L227-N231 VanDerWaalsContact O-CB 3.23Å; L227-N231 WeakPolarHBondContact O-CB 3.28Å; L227-N231 PolarHBondContact O-N 3.46Å; N231-N233 PolarHBondContact O-N 2.86Å
232	N	59.5	Low	67.1	Low	134 Å²	134	118.1 Å²	118.1	72%	0.717	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-12	171.3	-75.6	-21	0	0	0	113.3	R228 M230	R228-N232 PolarHBondContact O-ND2 3.25Å; M230-N232 PolarHBondContact O-N 3.38Å
233	N	56.5	Low	66	Low	131 Å²	131	119.2 Å²	119.2	70%	0.701	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	1	-171.3	-64.3	-23.3	0	0	0	115.1	M230 N231	M230-N233 PolarHBondContact O-N 3.14Å; N231-N233 PolarHBondContact O-N 2.86Å
234	V	49.1	Very low	65.3	Low	116 Å²	116	120.8 Å²	120.8	70%	0.703	60%	0.602	S	S	*	*			trans	-112.8	116	-173.6	-174.6	0	0	0	0	111.3
235	N	42.7	Very low	65.2	Low	154 Å²	154	123.3 Å²	123.3	82%	0.824	61%	0.613	S	S	*	*			trans	-131.4	108.8	178	-169.9	61.3	0	0	0	106.2
236	D	49.7	Very low	65.2	Low	140 Å²	140	120.7 Å²	120.7	75%	0.749	60%	0.602	S	S	*	*			trans	-171.2	135.7	156.6	-117.3	-25.1	0	0	0	113.7
237	D	47.9	Very low	65.2	Low	149 Å²	149	121.1 Å²	121.1	80%	0.797	61%	0.605	S	S	*	*			trans	-100.7	11.5	-164	-104.1	-28.9	0	0	0	114.4
238	Q	55.6	Low	65.7	Low	178 Å²	178	121.3 Å²	121.3	83%	0.832	60%	0.604	S	S	*	*			trans	-94.4	-2.9	-169.4	-74.9	-171.6	-3.9	0	0	116.7
239	D	54.4	Low	66.3	Low	81 Å²	81	118.7 Å²	118.7	43%	0.433	60%	0.597	S	S	.	*			trans	-99.7	6.9	-171.6	-71.9	-36.4	0	0	0	114.8	E241 H242 W243	D239-E241 VanDerWaalsContact C-N 3.31Å; D239-E241 PolarHBondContact O-N 3.32Å; D239-E241 VanDerWaalsContact O-N 3.11Å; D239-H242 PolarHBondContact O-N 3.31Å; D239-W243 HydrophobicContact CB-CD2 4.47Å; D239-W243 HydrophobicContact CB-CG 4.08Å; D239-W243 WeakPolarHBondContact O-CB 3.49Å; D239-W243 PolarHBondContact O-N 2.88Å
240	V	59.8	Low	67.2	Low	80 Å²	80	117.4 Å²	117.4	49%	0.485	59%	0.586	S	S	.	*	H	α-helix	trans	-54.8	-40.2	-166.2	-178.8	0	0	0	0	113.9	R244	V240-R244 WeakPolarHBondContact O-CB 3.48Å; V240-R244 PolarHBondContact O-N 3.36Å
241	E	63.8	Low	68.2	Low	97 Å²	97	115.3 Å²	115.3	45%	0.453	58%	0.576	S	S	.	*	H	α-helix	trans	-80.9	-36	-176.9	-164	56.9	-145.9	0	0	113	D239 W243 R244 Q245	D239-E241 VanDerWaalsContact C-N 3.31Å; D239-E241 PolarHBondContact O-N 3.32Å; D239-E241 VanDerWaalsContact O-N 3.11Å; E241-W243 VanDerWaalsContact C-N 3.35Å; E241-R244 PolarHBondContact O-N 3.29Å; E241-R244 IonicContact OE1-NE 2.61Å; E241-R244 PolarHBondContact OE1-NE 3.37Å; E241-R244 IonicContact OE2-CZ 3.47Å; E241-R244 VanDerWaalsContact OE2-CZ 3.32Å; E241-R244 IonicContact OE2-NE 2.94Å; E241-R244 PolarHBondContact OE2-NE 3.03Å; E241-R244 IonicContact OE2-NH2 3.32Å; E241-R244 PolarHBondContact OE2-NH2 3.49Å; E241-Q245 PolarHBondContact O-N 2.93Å
242	H	72.2	Confident	69.6	Low	114 Å²	114	116.1 Å²	116.1	53%	0.528	57%	0.57	S	S	.	*	H	α-helix	trans	-61.1	-47.1	168.6	171.4	-80	0	0	0	110	D239 R244 Q245 L246	D239-H242 PolarHBondContact O-N 3.31Å; H242-R244 VanDerWaalsContact C-N 3.27Å; H242-R244 PolarHBondContact O-N 3.46Å; H242-Q245 PolarHBondContact O-N 2.87Å; H242-L246 WeakPolarHBondContact O-CB 3.46Å; H242-L246 PolarHBondContact O-N 3.24Å
243	W	69.9	Low	71.3	Confident	143 Å²	143	113.2 Å²	113.2	54%	0.542	55%	0.554	S	S	.	*	H	α-helix	trans	-60.3	-36.8	174.2	-69.9	130.6	0	0	0	111.6	D239 E241 L246 M247	D239-W243 HydrophobicContact CB-CD2 4.47Å; D239-W243 HydrophobicContact CB-CG 4.08Å; D239-W243 WeakPolarHBondContact O-CB 3.49Å; D239-W243 PolarHBondContact O-N 2.88Å; E241-W243 VanDerWaalsContact C-N 3.35Å; W243-L246 HydrophobicContact CE3-CD2 3.93Å; W243-L246 HydrophobicContact CZ3-CD2 3.77Å; W243-M247 WeakPolarHBondContact O-CA 3.31Å; W243-M247 WeakPolarHBondContact O-CB 3.36Å; W243-M247 PolarHBondContact O-N 3.48Å
244	R	77.6	Confident	73	Confident	125 Å²	125	111.1 Å²	111.1	47%	0.472	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-47.2	177	-158.1	-163.3	-48.9	-82.1	-3	112.1	V240 E241 H242 M247 Q248	V240-R244 WeakPolarHBondContact O-CB 3.48Å; V240-R244 PolarHBondContact O-N 3.36Å; E241-R244 PolarHBondContact O-N 3.29Å; E241-R244 IonicContact OE1-NE 2.61Å; E241-R244 PolarHBondContact OE1-NE 3.37Å; E241-R244 IonicContact OE2-CZ 3.47Å; E241-R244 VanDerWaalsContact OE2-CZ 3.32Å; E241-R244 IonicContact OE2-NE 2.94Å; E241-R244 PolarHBondContact OE2-NE 3.03Å; E241-R244 IonicContact OE2-NH2 3.32Å; E241-R244 PolarHBondContact OE2-NH2 3.49Å; H242-R244 VanDerWaalsContact C-N 3.27Å; H242-R244 PolarHBondContact O-N 3.46Å; R244-M247 PolarHBondContact O-N 3.2Å; R244-Q248 WeakPolarHBondContact O-CG 3.5Å; R244-Q248 PolarHBondContact O-N 3.46Å
245	Q	79.8	Confident	75.1	Confident	127 Å²	127	111.9 Å²	111.9	59%	0.593	54%	0.536	S	S	*	.	H	α-helix	trans	-67.9	-41.4	178.6	-69.8	-176.7	25	0	0	111.8	E241 H242 Q248 K249	E241-Q245 PolarHBondContact O-N 2.93Å; H242-Q245 PolarHBondContact O-N 2.87Å; Q245-Q248 PolarHBondContact O-N 2.85Å; Q245-K249 WeakPolarHBondContact O-CB 3.42Å; Q245-K249 PolarHBondContact O-N 3.07Å
246	L	84.1	Confident	77.6	Confident	65 Å²	65	109.2 Å²	109.2	34%	0.34	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-43.5	174.3	-172.8	61.6	0	0	0	110.5	H242 W243 Q248 K249 T250	H242-L246 WeakPolarHBondContact O-CB 3.46Å; H242-L246 PolarHBondContact O-N 3.24Å; W243-L246 HydrophobicContact CE3-CD2 3.93Å; W243-L246 HydrophobicContact CZ3-CD2 3.77Å; L246-Q248 PolarHBondContact O-N 3.48Å; L246-K249 WeakPolarHBondContact O-CB 3.4Å; L246-K249 PolarHBondContact O-N 2.9Å; L246-T250 HydrophobicContact CD1-CG2 4.43Å; L246-T250 HydrophobicContact CG-CG2 4.39Å; L246-T250 VanDerWaalsContact O-CG2 3.3Å; L246-T250 WeakPolarHBondContact O-CG2 3.3Å; L246-T250 PolarHBondContact O-N 3.27Å; L246-T250 PolarHBondContact O-OG1 2.85Å
247	M	81.6	Confident	79.8	Confident	113 Å²	113	108 Å²	108	56%	0.557	51%	0.511	S	S	*	.	H	α-helix	trans	-60.9	-43.4	175.7	-174.4	68.1	74.4	0	0	111.7	W243 R244 K249 T250 I251	W243-M247 WeakPolarHBondContact O-CA 3.31Å; W243-M247 WeakPolarHBondContact O-CB 3.36Å; W243-M247 PolarHBondContact O-N 3.48Å; R244-M247 PolarHBondContact O-N 3.2Å; M247-K249 VanDerWaalsContact C-N 3.33Å; M247-K249 PolarHBondContact O-N 2.99Å; M247-T250 VanDerWaalsContact CA-OG1 3.31Å; M247-T250 WeakPolarHBondContact CA-OG1 3.23Å; M247-T250 PolarHBondContact O-N 3.26Å; M247-T250 PolarHBondContact O-OG1 2.96Å; M247-I251 HydrophobicContact CG-CD1 3.86Å; M247-I251 HydrophobicContact CG-CG1 4.47Å; M247-I251 WeakPolarHBondContact O-CB 3.45Å; M247-I251 WeakPolarHBondContact O-CD1 3.44Å; M247-I251 WeakPolarHBondContact O-CG1 3.18Å; M247-I251 PolarHBondContact O-N 3.29Å; M247-I251 HydrophobicContact SD-CD1 4.36Å
248	Q	88.4	Confident	81.8	Confident	111 Å²	111	108 Å²	108	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-37.1	175.8	-75.9	-176.2	5.5	0	0	112.4	R244 Q245 L246 R252	R244-Q248 WeakPolarHBondContact O-CG 3.5Å; R244-Q248 PolarHBondContact O-N 3.46Å; Q245-Q248 PolarHBondContact O-N 2.85Å; L246-Q248 PolarHBondContact O-N 3.48Å; Q248-R252 PolarHBondContact O-N 2.91Å; Q248-R252 VanDerWaalsContact O-N 3.13Å
249	K	91.2	Very high	83.7	Confident	112 Å²	112	103.7 Å²	103.7	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-50	174.4	-176.8	-176	172.7	-173.3	0	111	Q245 L246 M247 I251 R252 D253	Q245-K249 WeakPolarHBondContact O-CB 3.42Å; Q245-K249 PolarHBondContact O-N 3.07Å; L246-K249 WeakPolarHBondContact O-CB 3.4Å; L246-K249 PolarHBondContact O-N 2.9Å; M247-K249 VanDerWaalsContact C-N 3.33Å; M247-K249 PolarHBondContact O-N 2.99Å; K249-I251 VanDerWaalsContact C-N 3.32Å; K249-I251 PolarHBondContact O-N 3.04Å; K249-R252 WeakPolarHBondContact O-CA 3.4Å; K249-R252 WeakPolarHBondContact O-CB 3.29Å; K249-R252 PolarHBondContact O-N 3.27Å; K249-R252 VanDerWaalsContact O-N 3.07Å; K249-D253 PolarHBondContact O-N 2.92Å
250	T	93.5	Very high	85.7	Confident	51 Å²	51	103.1 Å²	103.1	31%	0.313	48%	0.481	S	S	.	.	H	α-helix	trans	-62.3	-38.9	178.9	56.7	0	0	0	0	111.6	L246 M247 R252 D253 I254	L246-T250 HydrophobicContact CD1-CG2 4.43Å; L246-T250 HydrophobicContact CG-CG2 4.39Å; L246-T250 VanDerWaalsContact O-CG2 3.3Å; L246-T250 WeakPolarHBondContact O-CG2 3.3Å; L246-T250 PolarHBondContact O-N 3.27Å; L246-T250 PolarHBondContact O-OG1 2.85Å; M247-T250 VanDerWaalsContact CA-OG1 3.31Å; M247-T250 WeakPolarHBondContact CA-OG1 3.23Å; M247-T250 PolarHBondContact O-N 3.26Å; M247-T250 PolarHBondContact O-OG1 2.96Å; T250-R252 VanDerWaalsContact C-N 3.33Å; T250-R252 PolarHBondContact O-N 3Å; T250-D253 PolarHBondContact O-N 3.21Å; T250-I254 VanDerWaalsContact O-CB 3.29Å; T250-I254 WeakPolarHBondContact O-CB 3.46Å; T250-I254 WeakPolarHBondContact O-CD1 3.38Å; T250-I254 WeakPolarHBondContact O-CG1 3.46Å; T250-I254 PolarHBondContact O-N 3.15Å
251	I	90.8	Very high	87.4	Confident	76 Å²	76	106.6 Å²	106.6	39%	0.39	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-42.3	173.8	-70.9	165.5	0	0	0	111.1	M247 K249 K255	M247-I251 HydrophobicContact CG-CD1 3.86Å; M247-I251 HydrophobicContact CG-CG1 4.47Å; M247-I251 WeakPolarHBondContact O-CB 3.45Å; M247-I251 WeakPolarHBondContact O-CD1 3.44Å; M247-I251 WeakPolarHBondContact O-CG1 3.18Å; M247-I251 PolarHBondContact O-N 3.29Å; M247-I251 HydrophobicContact SD-CD1 4.36Å; K249-I251 VanDerWaalsContact C-N 3.32Å; K249-I251 PolarHBondContact O-N 3.04Å; I251-K255 HydrophobicContact CG2-CD 4.33Å; I251-K255 WeakPolarHBondContact O-CB 3.38Å; I251-K255 VanDerWaalsContact O-CG 3.3Å; I251-K255 WeakPolarHBondContact O-CG 3.49Å; I251-K255 PolarHBondContact O-N 3.22Å
252	R	93.5	Very high	88.8	Confident	141 Å²	141	105.9 Å²	105.9	53%	0.532	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-45	175.1	-91.9	-177.5	-80.7	97.9	-1.5	111.7	Q248 K249 T250 K255 L256	Q248-R252 PolarHBondContact O-N 2.91Å; Q248-R252 VanDerWaalsContact O-N 3.13Å; K249-R252 WeakPolarHBondContact O-CA 3.4Å; K249-R252 WeakPolarHBondContact O-CB 3.29Å; K249-R252 PolarHBondContact O-N 3.27Å; K249-R252 VanDerWaalsContact O-N 3.07Å; T250-R252 VanDerWaalsContact C-N 3.33Å; T250-R252 PolarHBondContact O-N 3Å; R252-K255 PolarHBondContact O-N 2.85Å; R252-L256 PolarHBondContact O-N 3.35Å
253	D	95	Very high	89.9	Confident	73 Å²	73	103.8 Å²	103.8	39%	0.39	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-40.7	179.8	-62.3	-14.6	0	0	0	111	K249 T250 L256 E257	K249-D253 PolarHBondContact O-N 2.92Å; T250-D253 PolarHBondContact O-N 3.21Å; D253-L256 PolarHBondContact O-N 3.36Å; D253-E257 WeakPolarHBondContact O-CB 3.5Å; D253-E257 PolarHBondContact O-N 2.96Å
254	I	92.3	Very high	91.2	Very high	88 Å²	88	103 Å²	103	45%	0.451	47%	0.473	S	S	.	.	H	α-helix	trans	-60.5	-47	173.7	-73	164.6	0	0	0	110.5	T250 L256 E257 Y258	T250-I254 VanDerWaalsContact O-CB 3.29Å; T250-I254 WeakPolarHBondContact O-CB 3.46Å; T250-I254 WeakPolarHBondContact O-CD1 3.38Å; T250-I254 WeakPolarHBondContact O-CG1 3.46Å; T250-I254 PolarHBondContact O-N 3.15Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 3.11Å; I254-E257 PolarHBondContact O-N 2.62Å; I254-Y258 HydrophobicContact CG2-CD2 3.55Å; I254-Y258 HydrophobicContact CG2-CE2 3.5Å; I254-Y258 VanDerWaalsContact CG2-CE2 3.5Å; I254-Y258 WeakPolarHBondContact O-CD2 3.47Å; I254-Y258 PolarHBondContact O-N 3.24Å
255	K	94.1	Very high	91.9	Very high	131 Å²	131	100.4 Å²	100.4	57%	0.57	47%	0.468	S	S	*	.	H	α-helix	trans	-59.7	-46.4	177.4	-76.1	177.6	177.7	-171.9	0	111.2	I251 R252 E257 Y258 D259	I251-K255 HydrophobicContact CG2-CD 4.33Å; I251-K255 WeakPolarHBondContact O-CB 3.38Å; I251-K255 VanDerWaalsContact O-CG 3.3Å; I251-K255 WeakPolarHBondContact O-CG 3.49Å; I251-K255 PolarHBondContact O-N 3.22Å; R252-K255 PolarHBondContact O-N 2.85Å; K255-E257 PolarHBondContact O-N 3.36Å; K255-Y258 PolarHBondContact O-N 3Å; K255-D259 VanDerWaalsContact O-CG 3.28Å; K255-D259 PolarHBondContact O-N 2.84Å
256	L	95.2	Very high	92.7	Very high	99 Å²	99	100 Å²	100	52%	0.518	46%	0.461	S	S	.	.	H	α-helix	trans	-61.8	-41.9	177.7	-175.7	65.5	0	0	0	112.3	R252 D253 I254 D259 N260	R252-L256 PolarHBondContact O-N 3.35Å; D253-L256 PolarHBondContact O-N 3.36Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 3.11Å; L256-D259 PolarHBondContact O-N 3.16Å; L256-N260 WeakPolarHBondContact O-CB 3.31Å; L256-N260 PolarHBondContact O-N 2.97Å; L256-N260 PolarHBondContact O-ND2 3.25Å
257	E	95.3	Very high	93.2	Very high	114 Å²	114	102.6 Å²	102.6	53%	0.533	47%	0.472	S	S	.	.	H	α-helix	trans	-62.2	-42.7	174.4	-85.5	-64.4	129.9	0	0	112.2	D253 I254 K255 R261	D253-E257 WeakPolarHBondContact O-CB 3.5Å; D253-E257 PolarHBondContact O-N 2.96Å; I254-E257 PolarHBondContact O-N 2.62Å; K255-E257 PolarHBondContact O-N 3.36Å; E257-R261 VanDerWaalsContact O-CB 3.27Å; E257-R261 WeakPolarHBondContact O-CB 3.23Å; E257-R261 PolarHBondContact O-N 3.22Å
258	Y	90.5	Very high	93.9	Very high	149 Å²	149	103.2 Å²	103.2	58%	0.584	47%	0.474	S	S	*	.	H	α-helix	trans	-64.5	-42.9	175	-85.5	-67	0	0	0	112	I254 K255 R261 L262	I254-Y258 HydrophobicContact CG2-CD2 3.55Å; I254-Y258 HydrophobicContact CG2-CE2 3.5Å; I254-Y258 VanDerWaalsContact CG2-CE2 3.5Å; I254-Y258 WeakPolarHBondContact O-CD2 3.47Å; I254-Y258 PolarHBondContact O-N 3.24Å; K255-Y258 PolarHBondContact O-N 3Å; Y258-R261 PolarHBondContact O-N 3.14Å; Y258-L262 WeakPolarHBondContact O-CB 3.47Å; Y258-L262 VanDerWaalsContact O-CG 3.28Å; Y258-L262 WeakPolarHBondContact O-CG 3.3Å; Y258-L262 PolarHBondContact O-N 3.01Å
259	D	95.5	Very high	94.1	Very high	88 Å²	88	102.7 Å²	102.7	47%	0.471	47%	0.472	S	S	.	.	H	α-helix	trans	-60.8	-49.1	177	-69.6	-25.2	0	0	0	110.5	K255 L256 R261 L262 D263	K255-D259 VanDerWaalsContact O-CG 3.28Å; K255-D259 PolarHBondContact O-N 2.84Å; L256-D259 PolarHBondContact O-N 3.16Å; D259-R261 VanDerWaalsContact C-N 3.3Å; D259-R261 PolarHBondContact O-N 2.85Å; D259-L262 PolarHBondContact O-N 3.39Å; D259-L262 VanDerWaalsContact O-N 3.14Å; D259-D263 PolarHBondContact O-N 3.1Å
260	N	95	Very high	94.4	Very high	69 Å²	69	103.2 Å²	103.2	37%	0.369	48%	0.476	S	S	.	.	H	α-helix	trans	-61.7	-34.4	175.6	-70.1	-23.5	0	0	0	113.1	L256 R264	L256-N260 WeakPolarHBondContact O-CB 3.31Å; L256-N260 PolarHBondContact O-N 2.97Å; L256-N260 PolarHBondContact O-ND2 3.25Å; N260-R264 WeakPolarHBondContact O-CG 3.43Å; N260-R264 PolarHBondContact O-N 3Å; N260-R264 VanDerWaalsContact O-N 3.14Å; N260-R264 PolarHBondContact O-NE 3.42Å
261	R	95.3	Very high	94.5	Very high	152 Å²	152	106.3 Å²	106.3	57%	0.574	49%	0.487	S	S	*	.	H	α-helix	trans	-69.6	-41.7	175.4	-176.7	178.2	-176.1	108.6	4.6	111	E257 Y258 D259 R264 I265	E257-R261 VanDerWaalsContact O-CB 3.27Å; E257-R261 WeakPolarHBondContact O-CB 3.23Å; E257-R261 PolarHBondContact O-N 3.22Å; Y258-R261 PolarHBondContact O-N 3.14Å; D259-R261 VanDerWaalsContact C-N 3.3Å; D259-R261 PolarHBondContact O-N 2.85Å; R261-R264 PolarHBondContact O-N 3.47Å; R261-I265 HydrophobicContact CG-CD1 3.98Å; R261-I265 VanDerWaalsContact O-CG1 3.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.41Å; R261-I265 PolarHBondContact O-N 3.43Å
262	L	94.2	Very high	94.7	Very high	83 Å²	83	105.8 Å²	105.8	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-65.5	-38.6	177.2	-72.2	172.8	0	0	0	111.6	Y258 D259 I265 R266	Y258-L262 WeakPolarHBondContact O-CB 3.47Å; Y258-L262 VanDerWaalsContact O-CG 3.28Å; Y258-L262 WeakPolarHBondContact O-CG 3.3Å; Y258-L262 PolarHBondContact O-N 3.01Å; D259-L262 PolarHBondContact O-N 3.39Å; D259-L262 VanDerWaalsContact O-N 3.14Å; L262-I265 PolarHBondContact O-N 2.93Å; L262-R266 WeakPolarHBondContact O-CG 3.49Å; L262-R266 PolarHBondContact O-N 2.93Å
263	D	95.2	Very high	94.8	Very high	70 Å²	70	106.1 Å²	106.1	37%	0.374	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-49.2	172.6	-79	-40.6	0	0	0	111.8	D259 I265 R266 E267	D259-D263 PolarHBondContact O-N 3.1Å; D263-I265 PolarHBondContact O-N 3.48Å; D263-R266 VanDerWaalsContact CG-NH2 3.31Å; D263-R266 WeakPolarHBondContact O-CB 3.34Å; D263-R266 PolarHBondContact O-N 3.1Å; D263-R266 VanDerWaalsContact O-N 3.12Å; D263-R266 IonicContact OD1-CZ 2.67Å; D263-R266 IonicContact OD1-NE 2.98Å; D263-R266 PolarHBondContact OD1-NE 2.89Å; D263-R266 IonicContact OD1-NH2 2.88Å; D263-R266 PolarHBondContact OD1-NH2 3.41Å; D263-R266 IonicContact OD2-NH2 3.19Å; D263-E267 PolarHBondContact O-N 3.47Å
264	R	96.1	Very high	94.9	Very high	125 Å²	125	107 Å²	107	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-58.2	-44.8	176.4	-76.8	-177.9	-73.7	166.9	-8.3	112.8	N260 R261 R266 E267 E268	N260-R264 WeakPolarHBondContact O-CG 3.43Å; N260-R264 PolarHBondContact O-N 3Å; N260-R264 VanDerWaalsContact O-N 3.14Å; N260-R264 PolarHBondContact O-NE 3.42Å; R261-R264 PolarHBondContact O-N 3.47Å; R264-R266 VanDerWaalsContact C-N 3.3Å; R264-R266 PolarHBondContact O-N 3.31Å; R264-E267 PolarHBondContact O-N 2.98Å; R264-E268 WeakPolarHBondContact O-CB 3.49Å; R264-E268 VanDerWaalsContact O-CG 3.28Å; R264-E268 WeakPolarHBondContact O-CG 3.48Å; R264-E268 PolarHBondContact O-N 2.97Å
265	I	93.1	Very high	95	Very high	71 Å²	71	107.2 Å²	107.2	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-62	-40.1	177.6	-69.3	166.7	0	0	0	110.7	R261 L262 D263 M269	R261-I265 HydrophobicContact CG-CD1 3.98Å; R261-I265 VanDerWaalsContact O-CG1 3.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.41Å; R261-I265 PolarHBondContact O-N 3.43Å; L262-I265 PolarHBondContact O-N 2.93Å; D263-I265 PolarHBondContact O-N 3.48Å; I265-M269 HydrophobicContact CG2-CG 4.36Å; I265-M269 WeakPolarHBondContact O-CB 3.38Å; I265-M269 WeakPolarHBondContact O-CG 3.28Å; I265-M269 PolarHBondContact O-N 2.94Å
266	R	96	Very high	95.1	Very high	118 Å²	118	108.3 Å²	108.3	45%	0.445	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-50.3	175.6	-77.4	-175.8	-74.7	-89.8	7.3	111.3	L262 D263 R264 E268 M269 E270	L262-R266 WeakPolarHBondContact O-CG 3.49Å; L262-R266 PolarHBondContact O-N 2.93Å; D263-R266 VanDerWaalsContact CG-NH2 3.31Å; D263-R266 WeakPolarHBondContact O-CB 3.34Å; D263-R266 PolarHBondContact O-N 3.1Å; D263-R266 VanDerWaalsContact O-N 3.12Å; D263-R266 IonicContact OD1-CZ 2.67Å; D263-R266 IonicContact OD1-NE 2.98Å; D263-R266 PolarHBondContact OD1-NE 2.89Å; D263-R266 IonicContact OD1-NH2 2.88Å; D263-R266 PolarHBondContact OD1-NH2 3.41Å; D263-R266 IonicContact OD2-NH2 3.19Å; R264-R266 VanDerWaalsContact C-N 3.3Å; R264-R266 PolarHBondContact O-N 3.31Å; R266-E268 PolarHBondContact O-N 3.34Å; R266-M269 PolarHBondContact O-N 2.89Å; R266-E270 WeakPolarHBondContact O-CG 3.32Å; R266-E270 PolarHBondContact O-N 3.02Å
267	E	96.1	Very high	95.2	Very high	120 Å²	120	108.8 Å²	108.8	56%	0.561	51%	0.506	S	S	*	.	H	α-helix	trans	-60.5	-45.8	178.7	-71.7	177	-176.5	0	0	111.8	D263 R264 M269 E270 Q271	D263-E267 PolarHBondContact O-N 3.47Å; R264-E267 PolarHBondContact O-N 2.98Å; E267-M269 VanDerWaalsContact C-N 3.34Å; E267-M269 PolarHBondContact O-N 3.49Å; E267-E270 PolarHBondContact O-N 3.41Å; E267-Q271 WeakPolarHBondContact O-CB 3.41Å; E267-Q271 VanDerWaalsContact O-CG 3.26Å; E267-Q271 WeakPolarHBondContact O-CG 3.46Å; E267-Q271 PolarHBondContact O-N 3.07Å
268	E	95.4	Very high	95.2	Very high	127 Å²	127	107.7 Å²	107.7	59%	0.593	50%	0.503	S	S	*	.	H	α-helix	trans	-60.7	-42.7	176.5	-74.5	172.1	-171.6	0	0	111.8	R264 R266 Q271 S272	R264-E268 WeakPolarHBondContact O-CB 3.49Å; R264-E268 VanDerWaalsContact O-CG 3.28Å; R264-E268 WeakPolarHBondContact O-CG 3.48Å; R264-E268 PolarHBondContact O-N 2.97Å; R266-E268 PolarHBondContact O-N 3.34Å; E268-Q271 PolarHBondContact O-N 2.92Å; E268-S272 WeakPolarHBondContact O-CB 3.26Å; E268-S272 PolarHBondContact O-N 2.99Å
269	M	93.9	Very high	95.4	Very high	99 Å²	99	105 Å²	105	49%	0.488	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-46.2	174.8	-73	-124.4	-61	0	0	111.6	I265 R266 E267 Q271 S272 Y273	I265-M269 HydrophobicContact CG2-CG 4.36Å; I265-M269 WeakPolarHBondContact O-CB 3.38Å; I265-M269 WeakPolarHBondContact O-CG 3.28Å; I265-M269 PolarHBondContact O-N 2.94Å; R266-M269 PolarHBondContact O-N 2.89Å; E267-M269 VanDerWaalsContact C-N 3.34Å; E267-M269 PolarHBondContact O-N 3.49Å; M269-Q271 PolarHBondContact O-N 3.4Å; M269-S272 PolarHBondContact O-N 2.96Å; M269-S272 PolarHBondContact O-OG 3.23Å; M269-Y273 HydrophobicContact CB-CE2 4.46Å; M269-Y273 WeakPolarHBondContact O-CD2 3.48Å; M269-Y273 PolarHBondContact O-N 3.37Å
270	E	96.4	Very high	95.4	Very high	123 Å²	123	104.7 Å²	104.7	58%	0.575	49%	0.494	S	S	*	.	H	α-helix	trans	-59.4	-45.4	176.4	-74.7	179.5	-173.4	0	0	111.8	R266 E267 S272 Y273 L274	R266-E270 WeakPolarHBondContact O-CG 3.32Å; R266-E270 PolarHBondContact O-N 3.02Å; E267-E270 PolarHBondContact O-N 3.41Å; E270-S272 VanDerWaalsContact C-N 3.32Å; E270-S272 PolarHBondContact O-N 3.17Å; E270-Y273 PolarHBondContact O-N 3.14Å; E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 3.35Å
271	Q	96.3	Very high	95.4	Very high	117 Å²	117	106.2 Å²	106.2	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-63.1	-38.2	175.8	-68.6	-61.5	-16.2	0	0	112.2	E267 E268 M269 Y273 L274 T275	E267-Q271 WeakPolarHBondContact O-CB 3.41Å; E267-Q271 VanDerWaalsContact O-CG 3.26Å; E267-Q271 WeakPolarHBondContact O-CG 3.46Å; E267-Q271 PolarHBondContact O-N 3.07Å; E268-Q271 PolarHBondContact O-N 2.92Å; M269-Q271 PolarHBondContact O-N 3.4Å; Q271-Y273 VanDerWaalsContact C-N 3.34Å; Q271-L274 PolarHBondContact O-N 3.47Å; Q271-T275 WeakPolarHBondContact O-CB 3.35Å; Q271-T275 PolarHBondContact O-N 2.92Å; Q271-T275 PolarHBondContact O-OG1 3.21Å
272	S	95.2	Very high	95.3	Very high	65 Å²	65	106.8 Å²	106.8	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-40.6	175.5	81.8	0	0	0	0	111.7	E268 M269 E270 R276	E268-S272 WeakPolarHBondContact O-CB 3.26Å; E268-S272 PolarHBondContact O-N 2.99Å; M269-S272 PolarHBondContact O-N 2.96Å; M269-S272 PolarHBondContact O-OG 3.23Å; E270-S272 VanDerWaalsContact C-N 3.32Å; E270-S272 PolarHBondContact O-N 3.17Å; S272-R276 WeakPolarHBondContact O-CB 3.38Å; S272-R276 PolarHBondContact O-N 3.36Å
273	Y	94.5	Very high	95.3	Very high	147 Å²	147	107.1 Å²	107.1	58%	0.576	50%	0.504	S	S	*	.	H	α-helix	trans	-69.2	-42.4	176.7	-73.9	-55.5	0	0	0	112.1	M269 E270 Q271 R276 L277	M269-Y273 HydrophobicContact CB-CE2 4.46Å; M269-Y273 WeakPolarHBondContact O-CD2 3.48Å; M269-Y273 PolarHBondContact O-N 3.37Å; E270-Y273 PolarHBondContact O-N 3.14Å; Q271-Y273 VanDerWaalsContact C-N 3.34Å; Y273-R276 PolarHBondContact O-N 3.39Å; Y273-L277 WeakPolarHBondContact O-CB 3.38Å; Y273-L277 WeakPolarHBondContact O-CG 3.28Å; Y273-L277 PolarHBondContact O-N 3.2Å
274	L	97.2	Very high	95.2	Very high	93 Å²	93	108.1 Å²	108.1	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-47.2	175.6	-72.4	173.2	0	0	0	111.6	E270 Q271 R276 L277 D278	E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 3.35Å; Q271-L274 PolarHBondContact O-N 3.47Å; L274-R276 VanDerWaalsContact C-N 3.28Å; L274-R276 PolarHBondContact O-N 2.9Å; L274-L277 PolarHBondContact O-N 3.21Å; L274-D278 PolarHBondContact O-N 2.87Å
275	T	95.2	Very high	95.1	Very high	92 Å²	92	104.8 Å²	104.8	56%	0.564	51%	0.505	S	S	*	.	H	α-helix	trans	-60.4	-40.9	176.6	-55.9	0	0	0	0	111	Q271 D278 E279	Q271-T275 WeakPolarHBondContact O-CB 3.35Å; Q271-T275 PolarHBondContact O-N 2.92Å; Q271-T275 PolarHBondContact O-OG1 3.21Å; T275-D278 PolarHBondContact O-N 2.89Å; T275-E279 WeakPolarHBondContact O-CB 3.47Å; T275-E279 PolarHBondContact O-N 3.44Å
276	R	96.6	Very high	95.2	Very high	153 Å²	153	104.9 Å²	104.9	58%	0.577	51%	0.512	S	S	*	.	H	α-helix	trans	-67.4	-38.1	178.1	-170	65.2	-172.5	175.5	5.7	112.3	S272 Y273 L274 L280	S272-R276 WeakPolarHBondContact O-CB 3.38Å; S272-R276 PolarHBondContact O-N 3.36Å; Y273-R276 PolarHBondContact O-N 3.39Å; L274-R276 VanDerWaalsContact C-N 3.28Å; L274-R276 PolarHBondContact O-N 2.9Å; R276-L280 HydrophobicContact CG-CD1 4.4Å; R276-L280 WeakPolarHBondContact O-CB 3.49Å; R276-L280 VanDerWaalsContact O-CG 3.27Å; R276-L280 WeakPolarHBondContact O-CG 3.39Å; R276-L280 PolarHBondContact O-N 2.89Å
277	L	96.5	Very high	95	Very high	110 Å²	110	104.5 Å²	104.5	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-65.4	-43.4	174.5	-76.4	168.2	0	0	0	111.6	Y273 L274 L280 N281	Y273-L277 WeakPolarHBondContact O-CB 3.38Å; Y273-L277 WeakPolarHBondContact O-CG 3.28Å; Y273-L277 PolarHBondContact O-N 3.2Å; L274-L277 PolarHBondContact O-N 3.21Å; L277-L280 PolarHBondContact O-N 3.32Å; L277-N281 WeakPolarHBondContact O-CB 3.42Å; L277-N281 PolarHBondContact O-N 3.28Å
278	D	95.5	Very high	95	Very high	91 Å²	91	106.8 Å²	106.8	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-43	176.1	-85	-9	0	0	0	111.9	L274 T275 N281 R282	L274-D278 PolarHBondContact O-N 2.87Å; T275-D278 PolarHBondContact O-N 2.89Å; D278-N281 PolarHBondContact O-N 3.19Å; D278-R282 WeakPolarHBondContact O-CB 3.36Å; D278-R282 WeakPolarHBondContact O-CG 3.31Å; D278-R282 PolarHBondContact O-N 3.4Å
279	E	94.7	Very high	95	Very high	92 Å²	92	105.8 Å²	105.8	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-44.1	177.7	-171.3	57	-152.2	0	0	111.7	T275 N281 R282 Q283	T275-E279 WeakPolarHBondContact O-CB 3.47Å; T275-E279 PolarHBondContact O-N 3.44Å; E279-N281 VanDerWaalsContact C-N 3.3Å; E279-N281 PolarHBondContact O-N 2.83Å; E279-R282 PolarHBondContact O-N 2.95Å; E279-Q283 WeakPolarHBondContact O-CB 3.35Å; E279-Q283 PolarHBondContact O-N 3.44Å
280	L	94.9	Very high	95	Very high	82 Å²	82	105.2 Å²	105.2	43%	0.429	51%	0.513	S	S	.	.	H	α-helix	trans	-60.5	-40.6	174.2	-74.6	172	0	0	0	111.6	R276 L277 Q283 D284	R276-L280 HydrophobicContact CG-CD1 4.4Å; R276-L280 WeakPolarHBondContact O-CB 3.49Å; R276-L280 VanDerWaalsContact O-CG 3.27Å; R276-L280 WeakPolarHBondContact O-CG 3.39Å; R276-L280 PolarHBondContact O-N 2.89Å; L277-L280 PolarHBondContact O-N 3.32Å; L280-Q283 PolarHBondContact O-N 3.33Å; L280-D284 WeakPolarHBondContact O-CB 3.5Å; L280-D284 PolarHBondContact O-N 3.48Å
281	N	94.8	Very high	95	Very high	100 Å²	100	105.7 Å²	105.7	54%	0.535	51%	0.514	S	S	.	.	H	α-helix	trans	-69.6	-36.5	178.6	-169.6	48.6	0	0	0	112.6	L277 D278 E279 S285	L277-N281 WeakPolarHBondContact O-CB 3.42Å; L277-N281 PolarHBondContact O-N 3.28Å; D278-N281 PolarHBondContact O-N 3.19Å; E279-N281 VanDerWaalsContact C-N 3.3Å; E279-N281 PolarHBondContact O-N 2.83Å; N281-S285 VanDerWaalsContact O-CB 3.29Å; N281-S285 WeakPolarHBondContact O-CB 3.4Å; N281-S285 PolarHBondContact O-N 2.97Å; N281-S285 PolarHBondContact O-OG 3.08Å
282	R	94.3	Very high	95	Very high	164 Å²	164	103.1 Å²	103.1	62%	0.619	50%	0.504	S	S	*	.	H	α-helix	trans	-64.7	-44.2	171.8	-77.1	178.8	179.6	141.1	5.3	111.5	D278 E279 S285 S286	D278-R282 WeakPolarHBondContact O-CB 3.36Å; D278-R282 WeakPolarHBondContact O-CG 3.31Å; D278-R282 PolarHBondContact O-N 3.4Å; E279-R282 PolarHBondContact O-N 2.95Å; R282-S285 PolarHBondContact O-N 2.87Å; R282-S286 WeakPolarHBondContact O-CB 3.43Å; R282-S286 PolarHBondContact O-N 3.49Å
283	Q	93.5	Very high	95.1	Very high	90 Å²	90	105.5 Å²	105.5	42%	0.421	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-46.1	177.1	-173.5	179.1	-12.5	0	0	111.2	E279 L280 S285 S286 Q287	E279-Q283 WeakPolarHBondContact O-CB 3.35Å; E279-Q283 PolarHBondContact O-N 3.44Å; L280-Q283 PolarHBondContact O-N 3.33Å; Q283-S285 PolarHBondContact O-N 3.11Å; Q283-S286 PolarHBondContact O-N 3.07Å; Q283-Q287 HydrophobicContact CG-CG 4.46Å; Q283-Q287 WeakPolarHBondContact O-CB 3.46Å; Q283-Q287 VanDerWaalsContact O-CG 3.32Å; Q283-Q287 WeakPolarHBondContact O-CG 3.29Å; Q283-Q287 PolarHBondContact O-N 3.41Å
284	D	94	Very high	95.1	Very high	92 Å²	92	103.1 Å²	103.1	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-62.4	-42.8	177.3	-167.1	54	0	0	0	111.5	L280 S286 Q287 R288	L280-D284 WeakPolarHBondContact O-CB 3.5Å; L280-D284 PolarHBondContact O-N 3.48Å; D284-S286 PolarHBondContact O-N 2.88Å; D284-Q287 PolarHBondContact O-N 3.46Å; D284-R288 VanDerWaalsContact O-CB 3.24Å; D284-R288 WeakPolarHBondContact O-CB 3.39Å; D284-R288 PolarHBondContact O-N 3.06Å
285	S	93.3	Very high	95.1	Very high	55 Å²	55	104.1 Å²	104.1	39%	0.385	50%	0.502	S	S	.	.	H	α-helix	trans	-60.6	-43.5	174.1	-62.5	0	0	0	0	112.3	N281 R282 Q283 N289	N281-S285 VanDerWaalsContact O-CB 3.29Å; N281-S285 WeakPolarHBondContact O-CB 3.4Å; N281-S285 PolarHBondContact O-N 2.97Å; N281-S285 PolarHBondContact O-OG 3.08Å; R282-S285 PolarHBondContact O-N 2.87Å; Q283-S285 PolarHBondContact O-N 3.11Å; S285-N289 PolarHBondContact O-N 3.26Å; S285-N289 PolarHBondContact O-ND2 3.36Å
286	S	94.2	Very high	95.2	Very high	72 Å²	72	105 Å²	105	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-45.7	176.6	-172.2	0	0	0	0	111.9	R282 Q283 D284 R288 N289 E290	R282-S286 WeakPolarHBondContact O-CB 3.43Å; R282-S286 PolarHBondContact O-N 3.49Å; Q283-S286 PolarHBondContact O-N 3.07Å; D284-S286 PolarHBondContact O-N 2.88Å; S286-R288 VanDerWaalsContact C-N 3.32Å; S286-R288 PolarHBondContact O-N 2.9Å; S286-N289 PolarHBondContact O-N 2.87Å; S286-E290 PolarHBondContact O-N 2.94Å
287	Q	93.5	Very high	95.1	Very high	110 Å²	110	101.4 Å²	101.4	51%	0.514	49%	0.489	S	S	.	.	H	α-helix	trans	-62.9	-40.2	178.1	-74.6	-178	-5.3	0	0	111.4	Q283 D284 E290 F291	Q283-Q287 HydrophobicContact CG-CG 4.46Å; Q283-Q287 WeakPolarHBondContact O-CB 3.46Å; Q283-Q287 VanDerWaalsContact O-CG 3.32Å; Q283-Q287 WeakPolarHBondContact O-CG 3.29Å; Q283-Q287 PolarHBondContact O-N 3.41Å; D284-Q287 PolarHBondContact O-N 3.46Å; Q287-E290 PolarHBondContact O-N 3.48Å; Q287-F291 WeakPolarHBondContact O-CB 3.39Å; Q287-F291 PolarHBondContact O-N 2.84Å
288	R	95.7	Very high	94.9	Very high	169 Å²	169	100.1 Å²	100.1	64%	0.638	48%	0.483	S	S	*	.	H	α-helix	trans	-64.9	-39.2	175.4	-172.2	173.3	179.8	172.6	-1.7	112.4	D284 S286 F291 N292	D284-R288 VanDerWaalsContact O-CB 3.24Å; D284-R288 WeakPolarHBondContact O-CB 3.39Å; D284-R288 PolarHBondContact O-N 3.06Å; S286-R288 VanDerWaalsContact C-N 3.32Å; S286-R288 PolarHBondContact O-N 2.9Å; R288-F291 PolarHBondContact O-N 3.26Å; R288-N292 WeakPolarHBondContact O-CB 3.41Å; R288-N292 PolarHBondContact O-N 3.43Å; R288-N292 PolarHBondContact O-ND2 3.5Å
289	N	95	Very high	95	Very high	106 Å²	106	98.9 Å²	98.9	57%	0.567	48%	0.481	S	S	*	.	H	α-helix	trans	-65.8	-44	175.2	-71.9	-25.9	0	0	0	112.1	S285 S286 N292 R293	S285-N289 PolarHBondContact O-N 3.26Å; S285-N289 PolarHBondContact O-ND2 3.36Å; S286-N289 PolarHBondContact O-N 2.87Å; N289-N292 PolarHBondContact O-N 3.27Å; N289-R293 WeakPolarHBondContact O-CB 3.43Å; N289-R293 PolarHBondContact O-N 2.98Å
290	E	94.8	Very high	95.1	Very high	87 Å²	87	100.7 Å²	100.7	41%	0.407	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-42.6	174	-78.3	-63.8	146.4	0	0	111.8	S286 Q287 N292 R293 L294	S286-E290 PolarHBondContact O-N 2.94Å; Q287-E290 PolarHBondContact O-N 3.48Å; E290-N292 PolarHBondContact O-N 2.95Å; E290-R293 PolarHBondContact O-N 2.93Å; E290-R293 IonicContact OE1-NE 3.98Å; E290-R293 IonicContact OE1-NH2 3.23Å; E290-R293 IonicContact OE2-CZ 3.41Å; E290-R293 IonicContact OE2-NE 3.71Å; E290-R293 PolarHBondContact OE2-NE 3.31Å; E290-R293 VanDerWaalsContact OE2-NE 3.13Å; E290-R293 IonicContact OE2-NH2 3.44Å; E290-R293 PolarHBondContact OE2-NH2 3.03Å; E290-L294 WeakPolarHBondContact O-CB 3.42Å; E290-L294 WeakPolarHBondContact O-CG 3.36Å; E290-L294 PolarHBondContact O-N 2.85Å
291	F	96.2	Very high	95	Very high	132 Å²	132	102.8 Å²	102.8	58%	0.579	50%	0.499	S	S	*	.	H	α-helix	trans	-59.7	-47.1	174.9	179.8	-92.9	0	0	0	111.8	Q287 R288 R293 L294 Q295	Q287-F291 WeakPolarHBondContact O-CB 3.39Å; Q287-F291 PolarHBondContact O-N 2.84Å; R288-F291 PolarHBondContact O-N 3.26Å; F291-R293 PolarHBondContact O-N 3.36Å; F291-L294 PolarHBondContact O-N 3.4Å; F291-Q295 VanDerWaalsContact O-CB 3.3Å; F291-Q295 WeakPolarHBondContact O-CB 3.28Å; F291-Q295 PolarHBondContact O-N 3.25Å
292	N	96.6	Very high	95.1	Very high	64 Å²	64	104.5 Å²	104.5	34%	0.342	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-42.6	176.6	-69.9	-22.5	0	0	0	111.6	R288 N289 E290 Q295 E296	R288-N292 WeakPolarHBondContact O-CB 3.41Å; R288-N292 PolarHBondContact O-N 3.43Å; R288-N292 PolarHBondContact O-ND2 3.5Å; N289-N292 PolarHBondContact O-N 3.27Å; E290-N292 PolarHBondContact O-N 2.95Å; N292-Q295 PolarHBondContact O-N 3.37Å; N292-E296 WeakPolarHBondContact O-CG 3.29Å; N292-E296 PolarHBondContact O-N 3.34Å
293	R	95.4	Very high	95.2	Very high	115 Å²	115	100.9 Å²	100.9	43%	0.434	50%	0.501	S	S	.	.	H	α-helix	trans	-59.6	-49.6	176.4	-175.2	179.5	72.8	93.7	-8.1	111.5	N289 E290 F291 Q295 E296 E297	N289-R293 WeakPolarHBondContact O-CB 3.43Å; N289-R293 PolarHBondContact O-N 2.98Å; E290-R293 PolarHBondContact O-N 2.93Å; E290-R293 IonicContact OE1-NE 3.98Å; E290-R293 IonicContact OE1-NH2 3.23Å; E290-R293 IonicContact OE2-CZ 3.41Å; E290-R293 IonicContact OE2-NE 3.71Å; E290-R293 PolarHBondContact OE2-NE 3.31Å; E290-R293 VanDerWaalsContact OE2-NE 3.13Å; E290-R293 IonicContact OE2-NH2 3.44Å; E290-R293 PolarHBondContact OE2-NH2 3.03Å; F291-R293 PolarHBondContact O-N 3.36Å; R293-Q295 VanDerWaalsContact C-N 3.32Å; R293-Q295 PolarHBondContact O-N 3.03Å; R293-E296 PolarHBondContact O-N 3.16Å; R293-E297 IonicContact CZ-OE1 2.62Å; R293-E297 IonicContact NH1-OE1 3.77Å; R293-E297 PolarHBondContact NH1-OE1 2.94Å; R293-E297 IonicContact NH1-OE2 3.59Å; R293-E297 WeakPolarHBondContact O-CG 3.48Å; R293-E297 PolarHBondContact O-N 2.93Å
294	L	94.7	Very high	95.3	Very high	97 Å²	97	99.2 Å²	99.2	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-64.5	-36.4	177.3	-70.2	175.3	0	0	0	112	E290 F291 N298	E290-L294 WeakPolarHBondContact O-CB 3.42Å; E290-L294 WeakPolarHBondContact O-CG 3.36Å; E290-L294 PolarHBondContact O-N 2.85Å; F291-L294 PolarHBondContact O-N 3.4Å; L294-N298 VanDerWaalsContact O-CB 3.22Å; L294-N298 WeakPolarHBondContact O-CB 3.47Å; L294-N298 PolarHBondContact O-N 3.3Å
295	Q	97.6	Very high	95.3	Very high	113 Å²	113	98.8 Å²	98.8	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-43.2	175.5	-174.8	177.2	2.7	0	0	111.7	F291 N292 R293 N298 S299	F291-Q295 VanDerWaalsContact O-CB 3.3Å; F291-Q295 WeakPolarHBondContact O-CB 3.28Å; F291-Q295 PolarHBondContact O-N 3.25Å; N292-Q295 PolarHBondContact O-N 3.37Å; R293-Q295 VanDerWaalsContact C-N 3.32Å; R293-Q295 PolarHBondContact O-N 3.03Å; Q295-N298 PolarHBondContact O-N 3.47Å; Q295-S299 PolarHBondContact O-N 3.24Å
296	E	96.8	Very high	95.4	Very high	111 Å²	111	101.9 Å²	101.9	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-45.8	174.4	-76.3	-177.5	-164.7	0	0	111.9	N292 R293 N298 S299 K300	N292-E296 WeakPolarHBondContact O-CG 3.29Å; N292-E296 PolarHBondContact O-N 3.34Å; R293-E296 PolarHBondContact O-N 3.16Å; E296-N298 VanDerWaalsContact C-N 3.31Å; E296-N298 PolarHBondContact O-N 2.91Å; E296-S299 PolarHBondContact O-N 3.39Å; E296-S299 VanDerWaalsContact O-N 3.17Å; E296-S299 PolarHBondContact O-OG 2.87Å; E296-K300 WeakPolarHBondContact O-CG 3.47Å; E296-K300 PolarHBondContact O-N 3.27Å
297	E	94.6	Very high	95.5	Very high	78 Å²	78	100 Å²	100	36%	0.364	50%	0.501	S	S	.	.	H	α-helix	trans	-59.1	-42.9	175	-75.1	176.6	-166	0	0	111.3	R293 S299 K300 L301	R293-E297 IonicContact CZ-OE1 2.62Å; R293-E297 IonicContact NH1-OE1 3.77Å; R293-E297 PolarHBondContact NH1-OE1 2.94Å; R293-E297 IonicContact NH1-OE2 3.59Å; R293-E297 WeakPolarHBondContact O-CG 3.48Å; R293-E297 PolarHBondContact O-N 2.93Å; E297-S299 VanDerWaalsContact C-N 3.34Å; E297-S299 PolarHBondContact O-N 3.26Å; E297-K300 PolarHBondContact O-N 3.38Å; E297-L301 WeakPolarHBondContact O-CB 3.35Å; E297-L301 WeakPolarHBondContact O-CG 3.3Å; E297-L301 PolarHBondContact O-N 2.91Å
298	N	92.5	Very high	95.3	Very high	83 Å²	83	97.4 Å²	97.4	44%	0.444	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-39.4	175.8	-160.6	-49.7	0	0	0	111.6	L294 Q295 E296 L301 K302	L294-N298 VanDerWaalsContact O-CB 3.22Å; L294-N298 WeakPolarHBondContact O-CB 3.47Å; L294-N298 PolarHBondContact O-N 3.3Å; Q295-N298 PolarHBondContact O-N 3.47Å; E296-N298 VanDerWaalsContact C-N 3.31Å; E296-N298 PolarHBondContact O-N 2.91Å; N298-L301 PolarHBondContact O-N 3.31Å; N298-K302 WeakPolarHBondContact O-CB 3.4Å; N298-K302 VanDerWaalsContact O-CG 3.28Å; N298-K302 WeakPolarHBondContact O-CG 3.35Å; N298-K302 PolarHBondContact O-N 2.89Å; N298-K302 WeakPolarHBondContact OD1-CE 3.38Å; N298-K302 PolarHBondContact OD1-NZ 2.93Å
299	S	97.7	Very high	95.3	Very high	64 Å²	64	95.7 Å²	95.7	45%	0.448	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-40.2	174.4	80.3	0	0	0	0	112.6	Q295 E296 E297 K302 S303	Q295-S299 PolarHBondContact O-N 3.24Å; E296-S299 PolarHBondContact O-N 3.39Å; E296-S299 VanDerWaalsContact O-N 3.17Å; E296-S299 PolarHBondContact O-OG 2.87Å; E297-S299 VanDerWaalsContact C-N 3.34Å; E297-S299 PolarHBondContact O-N 3.26Å; S299-K302 PolarHBondContact O-N 3.5Å; S299-S303 PolarHBondContact O-N 3.39Å
300	K	96.8	Very high	95.3	Very high	130 Å²	130	92.5 Å²	92.5	57%	0.565	48%	0.478	S	S	*	.	H	α-helix	trans	-67.1	-45.3	176.4	-70.5	170.2	-173.3	166.7	0	111.4	E296 E297 K302 S303 A304	E296-K300 WeakPolarHBondContact O-CG 3.47Å; E296-K300 PolarHBondContact O-N 3.27Å; E297-K300 PolarHBondContact O-N 3.38Å; K300-K302 VanDerWaalsContact C-N 3.34Å; K300-K302 PolarHBondContact O-N 3.43Å; K300-S303 PolarHBondContact O-N 3.3Å; K300-A304 WeakPolarHBondContact O-CB 3.44Å; K300-A304 PolarHBondContact O-N 2.97Å
301	L	94.2	Very high	95.4	Very high	126 Å²	126	94.8 Å²	94.8	66%	0.66	48%	0.483	S	S	*	.	H	α-helix	trans	-62.1	-40.9	176	-72.6	173.9	0	0	0	111.6	E297 N298 A304 L305	E297-L301 WeakPolarHBondContact O-CB 3.35Å; E297-L301 WeakPolarHBondContact O-CG 3.3Å; E297-L301 PolarHBondContact O-N 2.91Å; N298-L301 PolarHBondContact O-N 3.31Å; L301-A304 PolarHBondContact O-N 2.96Å; L301-L305 WeakPolarHBondContact O-CB 3.39Å; L301-L305 PolarHBondContact O-N 3.25Å
302	K	96.7	Very high	95.2	Very high	137 Å²	137	92.3 Å²	92.3	60%	0.596	48%	0.476	S	S	*	.	H	α-helix	trans	-62.1	-44.9	173.8	-78.3	173.1	174.7	170.4	0	112.3	N298 S299 K300 L305 E306	N298-K302 WeakPolarHBondContact O-CB 3.4Å; N298-K302 VanDerWaalsContact O-CG 3.28Å; N298-K302 WeakPolarHBondContact O-CG 3.35Å; N298-K302 PolarHBondContact O-N 2.89Å; N298-K302 WeakPolarHBondContact OD1-CE 3.38Å; N298-K302 PolarHBondContact OD1-NZ 2.93Å; S299-K302 PolarHBondContact O-N 3.5Å; K300-K302 VanDerWaalsContact C-N 3.34Å; K300-K302 PolarHBondContact O-N 3.43Å; K302-L305 PolarHBondContact O-N 3.38Å; K302-E306 PolarHBondContact O-N 3.49Å
303	S	96	Very high	95.2	Very high	87 Å²	87	93.6 Å²	93.6	61%	0.608	48%	0.483	S	S	*	.	H	α-helix	trans	-63.6	-41.6	176.1	-179.3	0	0	0	0	112.2	S299 K300 E306 G307	S299-S303 PolarHBondContact O-N 3.39Å; K300-S303 PolarHBondContact O-N 3.3Å; S303-E306 PolarHBondContact O-N 3.04Å; S303-G307 PolarHBondContact O-N 2.89Å
304	A	95.4	Very high	95.2	Very high	56 Å²	56	94.7 Å²	94.7	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-41.8	176	0	0	0	0	0	112.3	K300 L301 G307 T308	K300-A304 WeakPolarHBondContact O-CB 3.44Å; K300-A304 PolarHBondContact O-N 2.97Å; L301-A304 PolarHBondContact O-N 2.96Å; A304-G307 PolarHBondContact O-N 3.27Å; A304-T308 PolarHBondContact O-N 3.11Å; A304-T308 PolarHBondContact O-OG1 2.92Å
305	L	94.4	Very high	95.2	Very high	82 Å²	82	95 Å²	95	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-59.9	-46.3	175.7	-170.9	89.2	0	0	0	111.3	L301 K302 G307 T308 R309	L301-L305 WeakPolarHBondContact O-CB 3.39Å; L301-L305 PolarHBondContact O-N 3.25Å; K302-L305 PolarHBondContact O-N 3.38Å; L305-G307 VanDerWaalsContact C-N 3.34Å; L305-G307 PolarHBondContact O-N 3.05Å; L305-T308 WeakPolarHBondContact CA-OG1 3.4Å; L305-T308 PolarHBondContact O-N 3.09Å; L305-T308 PolarHBondContact O-OG1 3.41Å; L305-R309 VanDerWaalsContact CD2-CZ 3.49Å; L305-R309 WeakPolarHBondContact O-CG 3.31Å; L305-R309 PolarHBondContact O-N 3.34Å
306	E	95.6	Very high	95.1	Very high	120 Å²	120	96.6 Å²	96.6	56%	0.561	50%	0.496	S	S	*	.	H	α-helix	trans	-63.3	-41.2	177.1	-164.7	60.2	-156.4	0	0	111.3	K302 S303 T308 R309 G310	K302-E306 PolarHBondContact O-N 3.49Å; S303-E306 PolarHBondContact O-N 3.04Å; E306-T308 PolarHBondContact O-N 2.88Å; E306-R309 PolarHBondContact O-N 3.41Å; E306-G310 PolarHBondContact O-N 3.36Å
307	G	94.9	Very high	95.1	Very high	33 Å²	33	94 Å²	94	34%	0.34	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-36.5	174.3	0	0	0	0	0	113.8	S303 A304 L305 R311	S303-G307 PolarHBondContact O-N 2.89Å; A304-G307 PolarHBondContact O-N 3.27Å; L305-G307 VanDerWaalsContact C-N 3.34Å; L305-G307 PolarHBondContact O-N 3.05Å; G307-R311 PolarHBondContact O-N 3.47Å
308	T	90.7	Very high	95.2	Very high	56 Å²	56	98.1 Å²	98.1	34%	0.344	51%	0.505	S	S	.	.	H	α-helix	trans	-70	-42.2	172.6	45.7	0	0	0	0	112.8	A304 L305 E306 G310 R311 D312	A304-T308 PolarHBondContact O-N 3.11Å; A304-T308 PolarHBondContact O-OG1 2.92Å; L305-T308 WeakPolarHBondContact CA-OG1 3.4Å; L305-T308 PolarHBondContact O-N 3.09Å; L305-T308 PolarHBondContact O-OG1 3.41Å; E306-T308 PolarHBondContact O-N 2.88Å; T308-G310 VanDerWaalsContact C-N 3.35Å; T308-G310 PolarHBondContact O-N 2.86Å; T308-R311 VanDerWaalsContact CG2-NH1 3.26Å; T308-R311 PolarHBondContact O-N 2.93Å; T308-R311 VanDerWaalsContact O-N 3.15Å; T308-D312 PolarHBondContact O-N 2.88Å
309	R	95.3	Very high	95.2	Very high	133 Å²	133	97.3 Å²	97.3	50%	0.502	51%	0.505	S	S	.	.	H	α-helix	trans	-60.5	-44.1	176.5	-75.4	174.3	173	170.9	-4.1	111.8	L305 E306 R311 D312 D313	L305-R309 VanDerWaalsContact CD2-CZ 3.49Å; L305-R309 WeakPolarHBondContact O-CG 3.31Å; L305-R309 PolarHBondContact O-N 3.34Å; E306-R309 PolarHBondContact O-N 3.41Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 3.29Å; R309-D312 PolarHBondContact O-N 3.07Å; R309-D313 PolarHBondContact O-N 3.37Å
310	G	95	Very high	95.1	Very high	39 Å²	39	97.5 Å²	97.5	40%	0.402	50%	0.501	S	S	.	.	H	α-helix	trans	-61	-36.8	175.1	0	0	0	0	0	113.4	E306 T308 Q314	E306-G310 PolarHBondContact O-N 3.36Å; T308-G310 VanDerWaalsContact C-N 3.35Å; T308-G310 PolarHBondContact O-N 2.86Å; G310-Q314 WeakPolarHBondContact O-CB 3.32Å; G310-Q314 PolarHBondContact O-N 3.27Å
311	R	96.3	Very high	95.1	Very high	135 Å²	135	97.7 Å²	97.7	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-68.8	-39.6	173.9	-80.3	-174.9	-108.2	97.3	2.3	112.5	G307 T308 R309 Q314 L315	G307-R311 PolarHBondContact O-N 3.47Å; T308-R311 VanDerWaalsContact CG2-NH1 3.26Å; T308-R311 PolarHBondContact O-N 2.93Å; T308-R311 VanDerWaalsContact O-N 3.15Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 3.29Å; R311-Q314 PolarHBondContact O-N 3.38Å; R311-L315 WeakPolarHBondContact O-CB 3.28Å; R311-L315 WeakPolarHBondContact O-CG 3.5Å; R311-L315 PolarHBondContact O-N 2.97Å
312	D	92.2	Very high	95.1	Very high	79 Å²	79	96.7 Å²	96.7	42%	0.422	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-43.6	174.9	-76.1	-10.1	0	0	0	111.2	T308 R309 L315 R316	T308-D312 PolarHBondContact O-N 2.88Å; R309-D312 PolarHBondContact O-N 3.07Å; D312-L315 PolarHBondContact O-N 2.93Å; D312-R316 WeakPolarHBondContact O-CB 3.49Å; D312-R316 VanDerWaalsContact O-CG 3.3Å; D312-R316 WeakPolarHBondContact O-CG 3.44Å; D312-R316 PolarHBondContact O-N 2.9Å
313	D	95.7	Very high	95.1	Very high	91 Å²	91	95.7 Å²	95.7	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-66.4	-37.9	177.4	-68.1	-23.3	0	0	0	112.1	R309 R316 A317	R309-D313 PolarHBondContact O-N 3.37Å; D313-R316 PolarHBondContact O-N 3.17Å; D313-R316 IonicContact OD1-NH1 3.92Å; D313-R316 PolarHBondContact OD1-NH1 2.83Å; D313-A317 WeakPolarHBondContact O-CB 3.4Å; D313-A317 PolarHBondContact O-N 3.35Å
314	Q	95.8	Very high	95.1	Very high	139 Å²	139	99 Å²	99	65%	0.65	50%	0.495	S	S	*	.	H	α-helix	trans	-63.9	-42	173	-172.9	-177.8	14.4	0	0	112.2	G310 R311 A317 R318	G310-Q314 WeakPolarHBondContact O-CB 3.32Å; G310-Q314 PolarHBondContact O-N 3.27Å; R311-Q314 PolarHBondContact O-N 3.38Å; Q314-A317 PolarHBondContact O-N 2.91Å; Q314-R318 WeakPolarHBondContact O-CB 3.36Å; Q314-R318 PolarHBondContact O-N 3.12Å
315	L	94.5	Very high	95.1	Very high	103 Å²	103	99.5 Å²	99.5	54%	0.539	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-42.2	177.1	-75.1	173.4	0	0	0	111.4	R311 D312 R318 C319	R311-L315 WeakPolarHBondContact O-CB 3.28Å; R311-L315 WeakPolarHBondContact O-CG 3.5Å; R311-L315 PolarHBondContact O-N 2.97Å; D312-L315 PolarHBondContact O-N 2.93Å; L315-R318 PolarHBondContact O-N 2.96Å; L315-C319 PolarHBondContact O-N 3.49Å; L315-C319 PolarHBondContact O-SG 2.69Å; L315-C319 VanDerWaalsContact O-SG 3.36Å
316	R	96.2	Very high	95.1	Very high	147 Å²	147	100.7 Å²	100.7	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-58.4	-49.4	173	-73.2	174.3	-172	133.9	4.4	111.4	D312 D313 R318 C319 D320	D312-R316 WeakPolarHBondContact O-CB 3.49Å; D312-R316 VanDerWaalsContact O-CG 3.3Å; D312-R316 WeakPolarHBondContact O-CG 3.44Å; D312-R316 PolarHBondContact O-N 2.9Å; D313-R316 PolarHBondContact O-N 3.17Å; D313-R316 IonicContact OD1-NH1 3.92Å; D313-R316 PolarHBondContact OD1-NH1 2.83Å; R316-R318 VanDerWaalsContact C-N 3.26Å; R316-R318 PolarHBondContact O-N 2.92Å; R316-C319 PolarHBondContact O-N 3.41Å; R316-C319 VanDerWaalsContact O-N 3.15Å; R316-D320 PolarHBondContact O-N 3.19Å
317	A	95.9	Very high	95.1	Very high	56 Å²	56	100.3 Å²	100.3	46%	0.463	50%	0.504	S	S	.	.	H	α-helix	trans	-58.8	-37.5	177.3	0	0	0	0	0	112.7	D313 Q314 Q321	D313-A317 WeakPolarHBondContact O-CB 3.4Å; D313-A317 PolarHBondContact O-N 3.35Å; Q314-A317 PolarHBondContact O-N 2.91Å; A317-Q321 WeakPolarHBondContact O-CB 3.41Å; A317-Q321 PolarHBondContact O-N 3.39Å
318	R	96.8	Very high	95.2	Very high	164 Å²	164	104.6 Å²	104.6	62%	0.619	52%	0.515	S	S	*	.	H	α-helix	trans	-70	-41.5	175.6	-178.5	172.7	175.7	165.1	-0.8	112.6	Q314 L315 R316 Q321 L322	Q314-R318 WeakPolarHBondContact O-CB 3.36Å; Q314-R318 PolarHBondContact O-N 3.12Å; L315-R318 PolarHBondContact O-N 2.96Å; R316-R318 VanDerWaalsContact C-N 3.26Å; R316-R318 PolarHBondContact O-N 2.92Å; R318-Q321 PolarHBondContact O-N 2.81Å; R318-L322 HydrophobicContact CG-CD1 4.24Å; R318-L322 WeakPolarHBondContact O-CG 3.35Å; R318-L322 PolarHBondContact O-N 3.27Å
319	C	92.6	Very high	95.4	Very high	66 Å²	66	104.8 Å²	104.8	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-59.1	-49.8	173.4	-71.3	0	0	0	0	110.2	L315 R316 Q321 L322 E323	L315-C319 PolarHBondContact O-N 3.49Å; L315-C319 PolarHBondContact O-SG 2.69Å; L315-C319 VanDerWaalsContact O-SG 3.36Å; R316-C319 PolarHBondContact O-N 3.41Å; R316-C319 VanDerWaalsContact O-N 3.15Å; C319-Q321 VanDerWaalsContact C-N 3.25Å; C319-Q321 PolarHBondContact O-N 3.39Å; C319-L322 PolarHBondContact O-N 2.87Å; C319-L322 VanDerWaalsContact O-N 3.1Å; C319-E323 WeakPolarHBondContact O-CB 3.43Å; C319-E323 WeakPolarHBondContact O-CG 3.46Å; C319-E323 PolarHBondContact O-N 2.96Å
320	D	96.9	Very high	95.4	Very high	69 Å²	69	102.1 Å²	102.1	37%	0.369	52%	0.517	S	S	.	.	H	α-helix	trans	-59.1	-37.6	177.4	-63.8	-6	0	0	0	111.9	R316 R324	R316-D320 PolarHBondContact O-N 3.19Å; D320-R324 VanDerWaalsContact CB-NH1 3.27Å; D320-R324 WeakPolarHBondContact O-CB 3.31Å; D320-R324 VanDerWaalsContact O-CG 3.23Å; D320-R324 WeakPolarHBondContact O-CG 3.4Å; D320-R324 PolarHBondContact O-N 3.18Å; D320-R324 PolarHBondContact O-NH1 3.37Å; D320-R324 VanDerWaalsContact O-NH1 3.14Å; D320-R324 IonicContact OD2-NH2 3.45Å
321	Q	95.8	Very high	95.5	Very high	133 Å²	133	104.7 Å²	104.7	62%	0.621	52%	0.518	S	S	*	.	H	α-helix	trans	-65.6	-44.6	176.4	-176.1	-176.8	-0.1	0	0	111.7	A317 R318 C319 R324 S325	A317-Q321 WeakPolarHBondContact O-CB 3.41Å; A317-Q321 PolarHBondContact O-N 3.39Å; R318-Q321 PolarHBondContact O-N 2.81Å; C319-Q321 VanDerWaalsContact C-N 3.25Å; C319-Q321 PolarHBondContact O-N 3.39Å; Q321-R324 PolarHBondContact O-N 3.45Å; Q321-S325 WeakPolarHBondContact O-CB 3.28Å; Q321-S325 PolarHBondContact O-N 2.85Å
322	L	95.4	Very high	95.5	Very high	105 Å²	105	103.8 Å²	103.8	55%	0.55	52%	0.52	S	S	.	.	H	α-helix	trans	-67.3	-38.4	178.4	-71.8	172.8	0	0	0	111.7	R318 C319 S325 L326	R318-L322 HydrophobicContact CG-CD1 4.24Å; R318-L322 WeakPolarHBondContact O-CG 3.35Å; R318-L322 PolarHBondContact O-N 3.27Å; C319-L322 PolarHBondContact O-N 2.87Å; C319-L322 VanDerWaalsContact O-N 3.1Å; L322-S325 PolarHBondContact O-N 2.93Å; L322-L326 VanDerWaalsContact O-CB 3.29Å; L322-L326 WeakPolarHBondContact O-CB 3.42Å; L322-L326 PolarHBondContact O-N 3.37Å
323	E	96.5	Very high	95.5	Very high	117 Å²	117	103.3 Å²	103.3	55%	0.547	52%	0.523	S	S	.	.	H	α-helix	trans	-63.7	-43.1	174.3	-73.6	178.8	-175.9	0	0	111.8	C319 L326 N327	C319-E323 WeakPolarHBondContact O-CB 3.43Å; C319-E323 WeakPolarHBondContact O-CG 3.46Å; C319-E323 PolarHBondContact O-N 2.96Å; E323-L326 PolarHBondContact O-N 3.17Å; E323-N327 WeakPolarHBondContact O-CB 3.33Å; E323-N327 PolarHBondContact O-N 3.45Å
324	R	95.4	Very high	95.6	Very high	155 Å²	155	106.4 Å²	106.4	59%	0.585	53%	0.528	S	S	*	.	H	α-helix	trans	-61	-46.8	174	-72.9	178.8	-156.9	100.5	0.1	111.8	D320 Q321 L326 N327 E328	D320-R324 VanDerWaalsContact CB-NH1 3.27Å; D320-R324 WeakPolarHBondContact O-CB 3.31Å; D320-R324 VanDerWaalsContact O-CG 3.23Å; D320-R324 WeakPolarHBondContact O-CG 3.4Å; D320-R324 PolarHBondContact O-N 3.18Å; D320-R324 PolarHBondContact O-NH1 3.37Å; D320-R324 VanDerWaalsContact O-NH1 3.14Å; D320-R324 IonicContact OD2-NH2 3.45Å; Q321-R324 PolarHBondContact O-N 3.45Å; R324-L326 PolarHBondContact O-N 2.94Å; R324-N327 PolarHBondContact O-N 3.33Å; R324-E328 WeakPolarHBondContact O-CB 3.44Å; R324-E328 PolarHBondContact O-N 3.03Å
325	S	95.6	Very high	95.6	Very high	68 Å²	68	103.2 Å²	103.2	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-37.1	179	-179.9	0	0	0	0	112.6	Q321 L322 S329	Q321-S325 WeakPolarHBondContact O-CB 3.28Å; Q321-S325 PolarHBondContact O-N 2.85Å; L322-S325 PolarHBondContact O-N 2.93Å; S325-S329 PolarHBondContact O-N 3.35Å
326	L	94.5	Very high	95.7	Very high	107 Å²	107	103.1 Å²	103.1	56%	0.56	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-46.8	174.3	179	62.6	0	0	0	111.1	L322 E323 R324 E328 S329 V330	L322-L326 VanDerWaalsContact O-CB 3.29Å; L322-L326 WeakPolarHBondContact O-CB 3.42Å; L322-L326 PolarHBondContact O-N 3.37Å; E323-L326 PolarHBondContact O-N 3.17Å; R324-L326 PolarHBondContact O-N 2.94Å; L326-E328 VanDerWaalsContact C-N 3.32Å; L326-E328 PolarHBondContact O-N 3.22Å; L326-S329 PolarHBondContact O-N 2.91Å; L326-V330 HydrophobicContact CD1-CG2 4.25Å; L326-V330 HydrophobicContact CG-CG2 4.44Å; L326-V330 WeakPolarHBondContact O-CB 3.4Å; L326-V330 VanDerWaalsContact O-CG2 3.28Å; L326-V330 WeakPolarHBondContact O-CG2 3.37Å; L326-V330 PolarHBondContact O-N 3.43Å
327	N	95.6	Very high	95.6	Very high	111 Å²	111	104.9 Å²	104.9	59%	0.594	52%	0.521	S	S	*	.	H	α-helix	trans	-62.2	-39.7	178.4	-76	-3.9	0	0	0	112.1	E323 R324 V330 E331	E323-N327 WeakPolarHBondContact O-CB 3.33Å; E323-N327 PolarHBondContact O-N 3.45Å; R324-N327 PolarHBondContact O-N 3.33Å; N327-V330 PolarHBondContact O-N 3.31Å; N327-E331 WeakPolarHBondContact O-CB 3.44Å; N327-E331 PolarHBondContact O-N 2.89Å
328	E	96.6	Very high	95.6	Very high	123 Å²	123	105.6 Å²	105.6	58%	0.575	52%	0.517	S	S	*	.	H	α-helix	trans	-60.1	-49.8	173.9	-174.7	172.3	-161.6	0	0	111.3	R324 L326 V330 E331 E332	R324-E328 WeakPolarHBondContact O-CB 3.44Å; R324-E328 PolarHBondContact O-N 3.03Å; L326-E328 VanDerWaalsContact C-N 3.32Å; L326-E328 PolarHBondContact O-N 3.22Å; E328-V330 VanDerWaalsContact C-N 3.35Å; E328-V330 PolarHBondContact O-N 3.01Å; E328-E331 PolarHBondContact O-N 3.48Å; E328-E332 WeakPolarHBondContact O-CG 3.28Å; E328-E332 PolarHBondContact O-N 2.95Å
329	S	94.2	Very high	95.6	Very high	60 Å²	60	103.4 Å²	103.4	42%	0.42	51%	0.514	S	S	.	.	H	α-helix	trans	-64.8	-35.8	178.4	-174	0	0	0	0	113.5	S325 L326 S333	S325-S329 PolarHBondContact O-N 3.35Å; L326-S329 PolarHBondContact O-N 2.91Å; S329-S333 WeakPolarHBondContact O-CB 3.27Å; S329-S333 PolarHBondContact O-N 3.34Å; S329-S333 PolarHBondContact O-OG 2.93Å
330	V	96.3	Very high	95.7	Very high	78 Å²	78	104.5 Å²	104.5	47%	0.473	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-43	174.1	167.8	0	0	0	0	110.6	L326 N327 E328 S333 R334	L326-V330 HydrophobicContact CD1-CG2 4.25Å; L326-V330 HydrophobicContact CG-CG2 4.44Å; L326-V330 WeakPolarHBondContact O-CB 3.4Å; L326-V330 VanDerWaalsContact O-CG2 3.28Å; L326-V330 WeakPolarHBondContact O-CG2 3.37Å; L326-V330 PolarHBondContact O-N 3.43Å; N327-V330 PolarHBondContact O-N 3.31Å; E328-V330 VanDerWaalsContact C-N 3.35Å; E328-V330 PolarHBondContact O-N 3.01Å; V330-S333 PolarHBondContact O-N 2.86Å; V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 PolarHBondContact O-N 3.08Å
331	E	96	Very high	95.6	Very high	92 Å²	92	105.5 Å²	105.5	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-69.3	-39.6	179.1	-170.2	54.4	-146.9	0	0	111.8	N327 E328 S333 R334 N335	N327-E331 WeakPolarHBondContact O-CB 3.44Å; N327-E331 PolarHBondContact O-N 2.89Å; E328-E331 PolarHBondContact O-N 3.48Å; E331-S333 PolarHBondContact O-N 3.29Å; E331-R334 WeakPolarHBondContact O-CB 3.33Å; E331-R334 PolarHBondContact O-N 3.44Å; E331-N335 WeakPolarHBondContact O-CB 3.42Å; E331-N335 PolarHBondContact O-N 3.46Å; E331-N335 PolarHBondContact O-ND2 2.95Å; E331-N335 PolarHBondContact OE1-ND2 3.36Å
332	E	96.3	Very high	95.7	Very high	117 Å²	117	105.5 Å²	105.5	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-58	-47.1	170.4	-73.7	178.5	170.2	0	0	111.7	E328 R334 N335 L336	E328-E332 WeakPolarHBondContact O-CG 3.28Å; E328-E332 PolarHBondContact O-N 2.95Å; E332-R334 VanDerWaalsContact C-N 3.31Å; E332-R334 PolarHBondContact O-N 2.86Å; E332-N335 PolarHBondContact O-N 3.41Å; E332-L336 PolarHBondContact O-N 3.41Å
333	S	93	Very high	95.7	Very high	68 Å²	68	105.5 Å²	105.5	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-39.2	177.6	-62.3	0	0	0	0	111.9	S329 V330 E331 R337	S329-S333 WeakPolarHBondContact O-CB 3.27Å; S329-S333 PolarHBondContact O-N 3.34Å; S329-S333 PolarHBondContact O-OG 2.93Å; V330-S333 PolarHBondContact O-N 2.86Å; E331-S333 PolarHBondContact O-N 3.29Å; S333-R337 WeakPolarHBondContact O-CB 3.46Å; S333-R337 PolarHBondContact O-N 2.89Å
334	R	97	Very high	95.7	Very high	156 Å²	156	104 Å²	104	59%	0.589	51%	0.513	S	S	*	.	H	α-helix	trans	-64.5	-44.5	175.6	-168.8	-177.8	-172.5	98.9	2.8	111	V330 E331 E332 R337 N338	V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 PolarHBondContact O-N 3.08Å; E331-R334 WeakPolarHBondContact O-CB 3.33Å; E331-R334 PolarHBondContact O-N 3.44Å; E332-R334 VanDerWaalsContact C-N 3.31Å; E332-R334 PolarHBondContact O-N 2.86Å; R334-R337 PolarHBondContact O-N 3.3Å; R334-N338 WeakPolarHBondContact O-CB 3.44Å; R334-N338 PolarHBondContact O-N 2.87Å; R334-N338 PolarHBondContact O-ND2 3.02Å
335	N	96.6	Very high	95.7	Very high	72 Å²	72	100.4 Å²	100.4	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-43.8	177.7	-76.4	-41.4	0	0	0	112.2	E331 E332 N338 Q339	E331-N335 WeakPolarHBondContact O-CB 3.42Å; E331-N335 PolarHBondContact O-N 3.46Å; E331-N335 PolarHBondContact O-ND2 2.95Å; E331-N335 PolarHBondContact OE1-ND2 3.36Å; E332-N335 PolarHBondContact O-N 3.41Å; N335-N338 PolarHBondContact O-N 3.27Å; N335-Q339 WeakPolarHBondContact O-CG 3.47Å; N335-Q339 PolarHBondContact O-N 3.3Å
336	L	95.8	Very high	95.8	Very high	101 Å²	101	102.4 Å²	102.4	53%	0.529	51%	0.511	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.7	-174.1	64.3	0	0	0	111.7	E332 N338 Q339 L340	E332-L336 PolarHBondContact O-N 3.41Å; L336-N338 VanDerWaalsContact C-N 3.34Å; L336-N338 PolarHBondContact O-N 2.9Å; L336-Q339 PolarHBondContact O-N 2.78Å; L336-L340 HydrophobicContact CG-CD1 4.33Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 2.89Å
337	R	95	Very high	95.8	Very high	184 Å²	184	100.7 Å²	100.7	69%	0.694	51%	0.508	S	S	*	.	H	α-helix	trans	-59.1	-44.1	172.6	-94.6	-177.1	166.1	-140.9	-1	112.2	S333 R334 Q339 L340 N341	S333-R337 WeakPolarHBondContact O-CB 3.46Å; S333-R337 PolarHBondContact O-N 2.89Å; R334-R337 PolarHBondContact O-N 3.3Å; R337-Q339 VanDerWaalsContact C-N 3.32Å; R337-Q339 PolarHBondContact O-N 3.49Å; R337-L340 PolarHBondContact O-N 2.85Å; R337-N341 WeakPolarHBondContact O-CB 3.41Å; R337-N341 VanDerWaalsContact O-CG 3.25Å; R337-N341 PolarHBondContact O-N 3Å; R337-N341 PolarHBondContact O-ND2 3.41Å
338	N	95.9	Very high	95.9	Very high	71 Å²	71	100.7 Å²	100.7	38%	0.38	50%	0.504	S	S	.	.	H	α-helix	trans	-63	-39.5	177.7	-71.1	-22	0	0	0	111.7	R334 N335 L336 K342	R334-N338 WeakPolarHBondContact O-CB 3.44Å; R334-N338 PolarHBondContact O-N 2.87Å; R334-N338 PolarHBondContact O-ND2 3.02Å; N335-N338 PolarHBondContact O-N 3.27Å; L336-N338 VanDerWaalsContact C-N 3.34Å; L336-N338 PolarHBondContact O-N 2.9Å; N338-K342 VanDerWaalsContact O-CG 3.29Å; N338-K342 WeakPolarHBondContact O-CG 3.42Å; N338-K342 PolarHBondContact O-N 3.44Å; N338-K342 VanDerWaalsContact O-N 3.09Å
339	Q	96.6	Very high	95.9	Very high	118 Å²	118	101.1 Å²	101.1	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-65.6	-45.6	175	-71.6	175.3	3.8	0	0	112.1	N335 L336 R337 K342 L343	N335-Q339 WeakPolarHBondContact O-CG 3.47Å; N335-Q339 PolarHBondContact O-N 3.3Å; L336-Q339 PolarHBondContact O-N 2.78Å; R337-Q339 VanDerWaalsContact C-N 3.32Å; R337-Q339 PolarHBondContact O-N 3.49Å; Q339-K342 WeakPolarHBondContact O-CB 3.3Å; Q339-K342 PolarHBondContact O-N 3.4Å; Q339-L343 PolarHBondContact O-N 3.36Å
340	L	94.5	Very high	96	Very high	89 Å²	89	104.9 Å²	104.9	47%	0.466	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-42.9	177.4	-72.2	173	0	0	0	112.1	L336 R337 K342 L343 I344	L336-L340 HydrophobicContact CG-CD1 4.33Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 2.89Å; R337-L340 PolarHBondContact O-N 2.85Å; L340-K342 VanDerWaalsContact C-N 3.3Å; L340-K342 PolarHBondContact O-N 2.88Å; L340-L343 PolarHBondContact O-N 3.31Å; L340-I344 VanDerWaalsContact O-CG1 3.28Å; L340-I344 WeakPolarHBondContact O-CG1 3.4Å; L340-I344 PolarHBondContact O-N 2.93Å
341	N	95.7	Very high	95.9	Very high	90 Å²	90	106.9 Å²	106.9	48%	0.481	52%	0.519	S	S	.	.	H	α-helix	trans	-60.6	-40.3	175.7	-75.2	-19.4	0	0	0	111.4	R337 I344 T345	R337-N341 WeakPolarHBondContact O-CB 3.41Å; R337-N341 VanDerWaalsContact O-CG 3.25Å; R337-N341 PolarHBondContact O-N 3Å; R337-N341 PolarHBondContact O-ND2 3.41Å; N341-I344 PolarHBondContact O-N 2.96Å; N341-T345 WeakPolarHBondContact O-CG2 3.3Å; N341-T345 PolarHBondContact O-N 3.48Å; N341-T345 PolarHBondContact O-OG1 3.05Å
342	K	96.5	Very high	95.9	Very high	134 Å²	134	107 Å²	107	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-60.3	-49.3	174.1	-74.1	173.1	-177.5	-175.7	0	111.9	N338 Q339 L340 I344 T345 E346	N338-K342 VanDerWaalsContact O-CG 3.29Å; N338-K342 WeakPolarHBondContact O-CG 3.42Å; N338-K342 PolarHBondContact O-N 3.44Å; N338-K342 VanDerWaalsContact O-N 3.09Å; Q339-K342 WeakPolarHBondContact O-CB 3.3Å; Q339-K342 PolarHBondContact O-N 3.4Å; L340-K342 VanDerWaalsContact C-N 3.3Å; L340-K342 PolarHBondContact O-N 2.88Å; K342-I344 VanDerWaalsContact C-N 3.32Å; K342-I344 PolarHBondContact O-N 3.22Å; K342-T345 WeakPolarHBondContact CA-OG1 3.49Å; K342-T345 PolarHBondContact O-N 3.02Å; K342-T345 VanDerWaalsContact O-N 3.17Å; K342-T345 PolarHBondContact O-OG1 3.48Å; K342-E346 WeakPolarHBondContact O-CG 3.48Å; K342-E346 PolarHBondContact O-N 3.41Å
343	L	96.9	Very high	95.9	Very high	105 Å²	105	104.9 Å²	104.9	55%	0.55	52%	0.517	S	S	.	.	H	α-helix	trans	-62	-38.5	178.2	-69.6	172.8	0	0	0	112.6	Q339 L340 E346 S347	Q339-L343 PolarHBondContact O-N 3.36Å; L340-L343 PolarHBondContact O-N 3.31Å; L343-E346 PolarHBondContact O-N 2.92Å; L343-S347 WeakPolarHBondContact O-CB 3.29Å; L343-S347 PolarHBondContact O-N 3.23Å
344	I	95.8	Very high	96	Very high	85 Å²	85	104.1 Å²	104.1	44%	0.436	52%	0.515	S	S	.	.	H	α-helix	trans	-63.2	-47.6	174.3	-69.9	165.9	0	0	0	109.8	L340 N341 K342 E346 S347 E348	L340-I344 VanDerWaalsContact O-CG1 3.28Å; L340-I344 WeakPolarHBondContact O-CG1 3.4Å; L340-I344 PolarHBondContact O-N 2.93Å; N341-I344 PolarHBondContact O-N 2.96Å; K342-I344 VanDerWaalsContact C-N 3.32Å; K342-I344 PolarHBondContact O-N 3.22Å; I344-E346 VanDerWaalsContact C-N 3.33Å; I344-E346 PolarHBondContact O-N 3.48Å; I344-S347 PolarHBondContact O-N 3.36Å; I344-E348 HydrophobicContact CG2-CG 4.22Å; I344-E348 WeakPolarHBondContact O-CB 3.22Å; I344-E348 VanDerWaalsContact O-CG 3.31Å; I344-E348 WeakPolarHBondContact O-CG 3.49Å; I344-E348 PolarHBondContact O-N 2.9Å
345	T	96	Very high	95.9	Very high	80 Å²	80	101.4 Å²	101.4	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-63.2	-37.9	179.1	54.4	0	0	0	0	112.9	N341 K342 H349	N341-T345 WeakPolarHBondContact O-CG2 3.3Å; N341-T345 PolarHBondContact O-N 3.48Å; N341-T345 PolarHBondContact O-OG1 3.05Å; K342-T345 WeakPolarHBondContact CA-OG1 3.49Å; K342-T345 PolarHBondContact O-N 3.02Å; K342-T345 VanDerWaalsContact O-N 3.17Å; K342-T345 PolarHBondContact O-OG1 3.48Å; T345-H349 WeakPolarHBondContact O-CB 3.41Å; T345-H349 PolarHBondContact O-N 3.33Å
346	E	97.3	Very high	95.9	Very high	110 Å²	110	101.7 Å²	101.7	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-47.4	175	-73.2	168.1	-174.6	0	0	110.6	K342 L343 I344 E348 H349 E350	K342-E346 WeakPolarHBondContact O-CG 3.48Å; K342-E346 PolarHBondContact O-N 3.41Å; L343-E346 PolarHBondContact O-N 2.92Å; I344-E346 VanDerWaalsContact C-N 3.33Å; I344-E346 PolarHBondContact O-N 3.48Å; E346-E348 PolarHBondContact O-N 3.17Å; E346-H349 WeakPolarHBondContact O-CB 3.32Å; E346-H349 PolarHBondContact O-N 2.91Å; E346-E350 WeakPolarHBondContact O-CG 3.42Å; E346-E350 PolarHBondContact O-N 3.28Å
347	S	94.5	Very high	95.9	Very high	71 Å²	71	99.6 Å²	99.6	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-65.4	-38.2	178	-174.7	0	0	0	0	113	L343 I344 H349 E350 K351	L343-S347 WeakPolarHBondContact O-CB 3.29Å; L343-S347 PolarHBondContact O-N 3.23Å; I344-S347 PolarHBondContact O-N 3.36Å; S347-H349 VanDerWaalsContact C-N 3.33Å; S347-E350 PolarHBondContact O-N 2.97Å; S347-K351 WeakPolarHBondContact O-CB 3.31Å; S347-K351 PolarHBondContact O-N 3.47Å
348	E	96.8	Very high	95.9	Very high	110 Å²	110	95.5 Å²	95.5	51%	0.514	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-40.6	173.6	-76.9	177.4	165.5	0	0	111.4	I344 E346 K351 Q352	I344-E348 HydrophobicContact CG2-CG 4.22Å; I344-E348 WeakPolarHBondContact O-CB 3.22Å; I344-E348 VanDerWaalsContact O-CG 3.31Å; I344-E348 WeakPolarHBondContact O-CG 3.49Å; I344-E348 PolarHBondContact O-N 2.9Å; E346-E348 PolarHBondContact O-N 3.17Å; E348-K351 PolarHBondContact O-N 2.91Å; E348-Q352 WeakPolarHBondContact O-CB 3.5Å; E348-Q352 PolarHBondContact O-N 2.9Å
349	H	96.5	Very high	95.8	Very high	132 Å²	132	95.6 Å²	95.6	61%	0.611	50%	0.5	S	S	*	.	H	α-helix	trans	-66	-43.8	176.4	-170.3	59.9	0	0	0	112.3	T345 E346 S347 Q352 S353	T345-H349 WeakPolarHBondContact O-CB 3.41Å; T345-H349 PolarHBondContact O-N 3.33Å; E346-H349 WeakPolarHBondContact O-CB 3.32Å; E346-H349 PolarHBondContact O-N 2.91Å; S347-H349 VanDerWaalsContact C-N 3.33Å; H349-Q352 PolarHBondContact O-N 2.96Å; H349-S353 PolarHBondContact O-N 3.46Å
350	E	96.2	Very high	95.8	Very high	140 Å²	140	97.4 Å²	97.4	65%	0.654	50%	0.502	S	S	*	.	H	α-helix	trans	-60.5	-45	174.4	-72.8	177.2	175.8	0	0	111.7	E346 S347 S353 A354	E346-E350 WeakPolarHBondContact O-CG 3.42Å; E346-E350 PolarHBondContact O-N 3.28Å; S347-E350 PolarHBondContact O-N 2.97Å; E350-S353 PolarHBondContact O-N 3.1Å; E350-A354 PolarHBondContact O-N 3.09Å
351	K	94.7	Very high	95.9	Very high	119 Å²	119	98.1 Å²	98.1	52%	0.517	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-46.4	176.9	-170.6	-165.2	74.4	-179.3	0	111.2	S347 E348 S353 A354 E355	S347-K351 WeakPolarHBondContact O-CB 3.31Å; S347-K351 PolarHBondContact O-N 3.47Å; E348-K351 PolarHBondContact O-N 2.91Å; K351-S353 VanDerWaalsContact C-N 3.32Å; K351-S353 PolarHBondContact O-N 2.8Å; K351-A354 PolarHBondContact O-N 2.89Å; K351-E355 VanDerWaalsContact CE-OE1 3.31Å; K351-E355 WeakPolarHBondContact CE-OE1 3.35Å; K351-E355 WeakPolarHBondContact O-CG 3.5Å; K351-E355 PolarHBondContact O-N 2.97Å
352	Q	97	Very high	95.9	Very high	96 Å²	96	99.6 Å²	99.6	45%	0.449	51%	0.509	S	S	.	.	H	α-helix	trans	-60.1	-43.3	177.4	-175.8	-177.5	-14	0	0	111.2	E348 H349 A354 E355 E356	E348-Q352 WeakPolarHBondContact O-CB 3.5Å; E348-Q352 PolarHBondContact O-N 2.9Å; H349-Q352 PolarHBondContact O-N 2.96Å; Q352-A354 VanDerWaalsContact C-N 3.32Å; Q352-A354 PolarHBondContact O-N 3.42Å; Q352-E355 PolarHBondContact O-N 3.1Å; Q352-E356 PolarHBondContact NE2-OE1 3.01Å; Q352-E356 WeakPolarHBondContact O-CB 3.32Å; Q352-E356 WeakPolarHBondContact O-CG 3.48Å; Q352-E356 PolarHBondContact O-N 3.41Å
353	S	96.5	Very high	95.9	Very high	71 Å²	71	100.5 Å²	100.5	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-60.1	-41.6	176.6	-169.1	0	0	0	0	112.3	H349 E350 K351 E356 A357	H349-S353 PolarHBondContact O-N 3.46Å; E350-S353 PolarHBondContact O-N 3.1Å; K351-S353 VanDerWaalsContact C-N 3.32Å; K351-S353 PolarHBondContact O-N 2.8Å; S353-E356 PolarHBondContact O-N 3.38Å; S353-A357 WeakPolarHBondContact O-CB 3.23Å; S353-A357 PolarHBondContact O-N 3.48Å
354	A	94.3	Very high	95.9	Very high	52 Å²	52	101.2 Å²	101.2	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-41.4	175.9	0	0	0	0	0	112.6	E350 K351 Q352 A357 L358	E350-A354 PolarHBondContact O-N 3.09Å; K351-A354 PolarHBondContact O-N 2.89Å; Q352-A354 VanDerWaalsContact C-N 3.32Å; Q352-A354 PolarHBondContact O-N 3.42Å; A354-A357 PolarHBondContact O-N 3.48Å; A354-L358 WeakPolarHBondContact O-CG 3.37Å; A354-L358 PolarHBondContact O-N 2.92Å
355	E	95.7	Very high	95.9	Very high	99 Å²	99	101.9 Å²	101.9	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-42.6	174.8	-73.9	173	-178.4	0	0	111.4	K351 Q352 A357 L358 T359	K351-E355 VanDerWaalsContact CE-OE1 3.31Å; K351-E355 WeakPolarHBondContact CE-OE1 3.35Å; K351-E355 WeakPolarHBondContact O-CG 3.5Å; K351-E355 PolarHBondContact O-N 2.97Å; Q352-E355 PolarHBondContact O-N 3.1Å; E355-A357 PolarHBondContact O-N 3.33Å; E355-L358 PolarHBondContact O-N 3.19Å; E355-T359 VanDerWaalsContact O-CG2 3.3Å; E355-T359 WeakPolarHBondContact O-CG2 3.36Å; E355-T359 PolarHBondContact O-N 3.47Å; E355-T359 PolarHBondContact O-OG1 2.89Å
356	E	95.5	Very high	95.9	Very high	78 Å²	78	100.9 Å²	100.9	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-40.7	173.9	-74.2	179.1	-161.9	0	0	112	Q352 S353 T359 R360	Q352-E356 PolarHBondContact NE2-OE1 3.01Å; Q352-E356 WeakPolarHBondContact O-CB 3.32Å; Q352-E356 WeakPolarHBondContact O-CG 3.48Å; Q352-E356 PolarHBondContact O-N 3.41Å; S353-E356 PolarHBondContact O-N 3.38Å; E356-T359 WeakPolarHBondContact CA-OG1 3.26Å; E356-T359 PolarHBondContact O-N 2.88Å; E356-T359 PolarHBondContact O-OG1 3.32Å; E356-R360 VanDerWaalsContact O-CG 3.31Å; E356-R360 WeakPolarHBondContact O-CG 3.33Å; E356-R360 PolarHBondContact O-N 3.32Å
357	A	96.6	Very high	95.8	Very high	57 Å²	57	99 Å²	99	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-64.5	-43.1	174.9	0	0	0	0	0	112.3	S353 A354 E355 R360 L361	S353-A357 WeakPolarHBondContact O-CB 3.23Å; S353-A357 PolarHBondContact O-N 3.48Å; A354-A357 PolarHBondContact O-N 3.48Å; E355-A357 PolarHBondContact O-N 3.33Å; A357-R360 PolarHBondContact O-N 3.26Å; A357-L361 PolarHBondContact O-N 2.87Å
358	L	94	Very high	95.8	Very high	98 Å²	98	101.3 Å²	101.3	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-41.5	176.7	-74.9	173.1	0	0	0	112.1	A354 E355 R360 L361 H362	A354-L358 WeakPolarHBondContact O-CG 3.37Å; A354-L358 PolarHBondContact O-N 2.92Å; E355-L358 PolarHBondContact O-N 3.19Å; L358-R360 VanDerWaalsContact C-N 3.33Å; L358-R360 PolarHBondContact O-N 3.05Å; L358-L361 PolarHBondContact O-N 2.9Å; L358-H362 WeakPolarHBondContact O-CB 3.44Å; L358-H362 PolarHBondContact O-N 2.94Å
359	T	95.3	Very high	95.7	Very high	73 Å²	73	98.8 Å²	98.8	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-66.3	-35.1	177	56.6	0	0	0	0	112.3	E355 E356 K363	E355-T359 VanDerWaalsContact O-CG2 3.3Å; E355-T359 WeakPolarHBondContact O-CG2 3.36Å; E355-T359 PolarHBondContact O-N 3.47Å; E355-T359 PolarHBondContact O-OG1 2.89Å; E356-T359 WeakPolarHBondContact CA-OG1 3.26Å; E356-T359 PolarHBondContact O-N 2.88Å; E356-T359 PolarHBondContact O-OG1 3.32Å; T359-K363 VanDerWaalsContact O-CG 3.32Å; T359-K363 WeakPolarHBondContact O-CG 3.34Å; T359-K363 PolarHBondContact O-N 2.85Å; T359-K363 VanDerWaalsContact O-N 3.12Å
360	R	96.6	Very high	95.6	Very high	157 Å²	157	97.1 Å²	97.1	59%	0.592	51%	0.507	S	S	*	.	H	α-helix	trans	-62.6	-49.4	171.1	-72	173.9	-168.6	174.7	7.6	111.2	E356 A357 L358 H362 K363 E364	E356-R360 VanDerWaalsContact O-CG 3.31Å; E356-R360 WeakPolarHBondContact O-CG 3.33Å; E356-R360 PolarHBondContact O-N 3.32Å; A357-R360 PolarHBondContact O-N 3.26Å; L358-R360 VanDerWaalsContact C-N 3.33Å; L358-R360 PolarHBondContact O-N 3.05Å; R360-H362 VanDerWaalsContact C-N 3.34Å; R360-H362 PolarHBondContact O-N 3.21Å; R360-K363 WeakPolarHBondContact O-CB 3.5Å; R360-K363 PolarHBondContact O-N 2.96Å; R360-K363 VanDerWaalsContact O-N 3.14Å; R360-E364 WeakPolarHBondContact O-CG 3.39Å; R360-E364 PolarHBondContact O-N 3.18Å
361	L	95.2	Very high	95.6	Very high	103 Å²	103	92.8 Å²	92.8	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-40.4	178.8	-173.4	68.5	0	0	0	112.4	A357 L358 E364 L365	A357-L361 PolarHBondContact O-N 2.87Å; L358-L361 PolarHBondContact O-N 2.9Å; L361-E364 PolarHBondContact O-N 3.12Å; L361-L365 WeakPolarHBondContact O-CB 3.34Å; L361-L365 PolarHBondContact O-N 3.05Å
362	H	96	Very high	95.7	Very high	122 Å²	122	92.1 Å²	92.1	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-63.1	-40.3	175	-78.1	168.1	0	0	0	112.7	L358 R360 S366	L358-H362 WeakPolarHBondContact O-CB 3.44Å; L358-H362 PolarHBondContact O-N 2.94Å; R360-H362 VanDerWaalsContact C-N 3.34Å; R360-H362 PolarHBondContact O-N 3.21Å; H362-S366 WeakPolarHBondContact O-CB 3.47Å; H362-S366 PolarHBondContact O-N 2.85Å
363	K	96.1	Very high	95.6	Very high	152 Å²	152	92.4 Å²	92.4	66%	0.661	50%	0.496	S	S	*	.	H	α-helix	trans	-64.8	-44.4	175.8	-72.9	172.4	-177.4	178.1	0	111.4	T359 R360 S366 S367	T359-K363 VanDerWaalsContact O-CG 3.32Å; T359-K363 WeakPolarHBondContact O-CG 3.34Å; T359-K363 PolarHBondContact O-N 2.85Å; T359-K363 VanDerWaalsContact O-N 3.12Å; R360-K363 WeakPolarHBondContact O-CB 3.5Å; R360-K363 PolarHBondContact O-N 2.96Å; R360-K363 VanDerWaalsContact O-N 3.14Å; K363-S366 PolarHBondContact O-N 3.23Å; K363-S367 PolarHBondContact O-N 2.98Å
364	E	96.8	Very high	95.5	Very high	121 Å²	121	93.2 Å²	93.2	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-61.2	-47.5	176.2	-72.2	173.4	-163.8	0	0	111.5	R360 L361 S366 S367 L368	R360-E364 WeakPolarHBondContact O-CG 3.39Å; R360-E364 PolarHBondContact O-N 3.18Å; L361-E364 PolarHBondContact O-N 3.12Å; E364-S366 PolarHBondContact O-N 3.44Å; E364-S367 PolarHBondContact O-N 3.39Å; E364-S367 PolarHBondContact O-OG 3.4Å; E364-L368 WeakPolarHBondContact O-CB 3.5Å; E364-L368 PolarHBondContact O-N 3.02Å
365	L	95.5	Very high	95.6	Very high	99 Å²	99	95.3 Å²	95.3	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-44.8	176.6	-177.5	65.5	0	0	0	111.7	L361 S367 L368 T369	L361-L365 WeakPolarHBondContact O-CB 3.34Å; L361-L365 PolarHBondContact O-N 3.05Å; L365-S367 PolarHBondContact O-N 3.45Å; L365-L368 PolarHBondContact O-N 3.44Å; L365-T369 WeakPolarHBondContact O-CG2 3.48Å; L365-T369 PolarHBondContact O-N 2.98Å; L365-T369 PolarHBondContact O-OG1 2.96Å
366	S	96	Very high	95.5	Very high	59 Å²	59	94.9 Å²	94.9	41%	0.413	50%	0.497	S	S	.	.	H	α-helix	trans	-59.3	-46.9	176.4	-169.3	0	0	0	0	111.5	H362 K363 E364 L368 T369 D370	H362-S366 WeakPolarHBondContact O-CB 3.47Å; H362-S366 PolarHBondContact O-N 2.85Å; K363-S366 PolarHBondContact O-N 3.23Å; E364-S366 PolarHBondContact O-N 3.44Å; S366-L368 VanDerWaalsContact C-N 3.27Å; S366-L368 PolarHBondContact O-N 3.37Å; S366-T369 WeakPolarHBondContact CA-OG1 3.35Å; S366-T369 PolarHBondContact O-N 2.95Å; S366-T369 PolarHBondContact O-OG1 2.78Å; S366-D370 VanDerWaalsContact O-CG 3.29Å; S366-D370 PolarHBondContact O-N 2.88Å
367	S	95.9	Very high	95.3	Very high	71 Å²	71	94.1 Å²	94.1	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-36.3	177.9	72	0	0	0	0	112.4	K363 E364 L365 A371	K363-S367 PolarHBondContact O-N 2.98Å; E364-S367 PolarHBondContact O-N 3.39Å; E364-S367 PolarHBondContact O-OG 3.4Å; L365-S367 PolarHBondContact O-N 3.45Å; S367-A371 WeakPolarHBondContact O-CB 3.47Å; S367-A371 PolarHBondContact O-N 2.96Å
368	L	95.3	Very high	95.2	Very high	118 Å²	118	95.2 Å²	95.2	62%	0.618	50%	0.499	S	S	*	.	H	α-helix	trans	-71.3	-38.8	176.6	-175.2	64.3	0	0	0	111.8	E364 L365 S366 A371 K372	E364-L368 WeakPolarHBondContact O-CB 3.5Å; E364-L368 PolarHBondContact O-N 3.02Å; L365-L368 PolarHBondContact O-N 3.44Å; S366-L368 VanDerWaalsContact C-N 3.27Å; S366-L368 PolarHBondContact O-N 3.37Å; L368-A371 PolarHBondContact O-N 2.93Å; L368-K372 WeakPolarHBondContact O-CB 3.5Å; L368-K372 PolarHBondContact O-N 3.41Å
369	T	94.4	Very high	94.9	Very high	58 Å²	58	95.4 Å²	95.4	36%	0.356	50%	0.499	S	S	.	.	H	α-helix	trans	-67.8	-37.7	175.2	51	0	0	0	0	112	L365 S366 K372 L373	L365-T369 WeakPolarHBondContact O-CG2 3.48Å; L365-T369 PolarHBondContact O-N 2.98Å; L365-T369 PolarHBondContact O-OG1 2.96Å; S366-T369 WeakPolarHBondContact CA-OG1 3.35Å; S366-T369 PolarHBondContact O-N 2.95Å; S366-T369 PolarHBondContact O-OG1 2.78Å; T369-K372 WeakPolarHBondContact O-CB 3.18Å; T369-K372 PolarHBondContact O-N 3.14Å; T369-L373 WeakPolarHBondContact O-CB 3.3Å; T369-L373 WeakPolarHBondContact O-CG 3.42Å; T369-L373 PolarHBondContact O-N 2.9Å
370	D	94.8	Very high	94.7	Very high	96 Å²	96	93.9 Å²	93.9	51%	0.513	49%	0.494	S	S	.	.	H	α-helix	trans	-65.3	-45.3	174.8	-69	-22.8	0	0	0	110.7	S366 K372 L373 N374	S366-D370 VanDerWaalsContact O-CG 3.29Å; S366-D370 PolarHBondContact O-N 2.88Å; D370-K372 VanDerWaalsContact C-N 3.33Å; D370-K372 PolarHBondContact O-N 2.75Å; D370-L373 PolarHBondContact O-N 2.93Å; D370-N374 WeakPolarHBondContact O-CB 3.43Å; D370-N374 PolarHBondContact O-N 3.21Å
371	A	95.7	Very high	94.4	Very high	49 Å²	49	89 Å²	89	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-60.2	-41.5	174	0	0	0	0	0	112.1	S367 L368 N374 L375	S367-A371 WeakPolarHBondContact O-CB 3.47Å; S367-A371 PolarHBondContact O-N 2.96Å; L368-A371 PolarHBondContact O-N 2.93Å; A371-N374 PolarHBondContact O-N 2.9Å; A371-L375 WeakPolarHBondContact O-CB 3.33Å; A371-L375 WeakPolarHBondContact O-CG 3.25Å; A371-L375 PolarHBondContact O-N 2.73Å
372	K	96.8	Very high	94.3	Very high	105 Å²	105	91 Å²	91	46%	0.457	49%	0.488	S	S	.	.	H	α-helix	trans	-60.5	-51	174.5	177.6	-164.5	173.9	-89.1	0	111.2	L368 T369 D370 N374 L375 E376	L368-K372 WeakPolarHBondContact O-CB 3.5Å; L368-K372 PolarHBondContact O-N 3.41Å; T369-K372 WeakPolarHBondContact O-CB 3.18Å; T369-K372 PolarHBondContact O-N 3.14Å; D370-K372 VanDerWaalsContact C-N 3.33Å; D370-K372 PolarHBondContact O-N 2.75Å; K372-N374 VanDerWaalsContact C-N 3.28Å; K372-N374 PolarHBondContact O-N 3.31Å; K372-L375 PolarHBondContact O-N 3.3Å; K372-E376 WeakPolarHBondContact CE-OE1 3.21Å; K372-E376 HydrophobicContact CG-CG 4.43Å; K372-E376 IonicContact NZ-OE1 3.2Å; K372-E376 PolarHBondContact NZ-OE1 2.78Å; K372-E376 IonicContact NZ-OE2 2.95Å; K372-E376 PolarHBondContact NZ-OE2 3.19Å; K372-E376 WeakPolarHBondContact O-CB 3.35Å; K372-E376 WeakPolarHBondContact O-CG 3.47Å; K372-E376 PolarHBondContact O-N 3.15Å
373	L	94	Very high	93.9	Very high	102 Å²	102	87.7 Å²	87.7	53%	0.534	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-38.3	-178.9	-73.5	174.1	0	0	0	111.4	T369 D370 E376 A377	T369-L373 WeakPolarHBondContact O-CB 3.3Å; T369-L373 WeakPolarHBondContact O-CG 3.42Å; T369-L373 PolarHBondContact O-N 2.9Å; D370-L373 PolarHBondContact O-N 2.93Å; L373-E376 PolarHBondContact O-N 2.88Å; L373-A377 WeakPolarHBondContact O-CB 3.39Å; L373-A377 PolarHBondContact O-N 3.35Å
374	N	95.8	Very high	93.4	Very high	89 Å²	89	89 Å²	89	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-62.4	-47.5	174.4	-172.6	71.2	0	0	0	111.5	D370 A371 K372 E376 A377 E378	D370-N374 WeakPolarHBondContact O-CB 3.43Å; D370-N374 PolarHBondContact O-N 3.21Å; A371-N374 PolarHBondContact O-N 2.9Å; K372-N374 VanDerWaalsContact C-N 3.28Å; K372-N374 PolarHBondContact O-N 3.31Å; N374-E376 VanDerWaalsContact C-N 3.35Å; N374-E376 PolarHBondContact O-N 2.88Å; N374-A377 PolarHBondContact O-N 3.21Å; N374-E378 PolarHBondContact ND2-OE1 3.01Å; N374-E378 WeakPolarHBondContact O-CG 3.39Å; N374-E378 PolarHBondContact O-N 3.23Å
375	L	95.1	Very high	93	Very high	96 Å²	96	88.9 Å²	88.9	50%	0.503	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-39	175.5	-72.9	171.2	0	0	0	112.2	A371 K372 A377 E378 I379	A371-L375 WeakPolarHBondContact O-CB 3.33Å; A371-L375 WeakPolarHBondContact O-CG 3.25Å; A371-L375 PolarHBondContact O-N 2.73Å; K372-L375 PolarHBondContact O-N 3.3Å; L375-A377 VanDerWaalsContact C-N 3.31Å; L375-A377 PolarHBondContact O-N 2.86Å; L375-E378 PolarHBondContact O-N 2.95Å; L375-I379 WeakPolarHBondContact O-CB 3.23Å; L375-I379 WeakPolarHBondContact O-CD1 3.34Å; L375-I379 WeakPolarHBondContact O-CG1 3.5Å; L375-I379 PolarHBondContact O-N 3.24Å
376	E	94.9	Very high	92.4	Very high	90 Å²	90	88.9 Å²	88.9	42%	0.421	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-37.7	175.7	-76.1	178	154.2	0	0	112	K372 L373 N374 A380	K372-E376 WeakPolarHBondContact CE-OE1 3.21Å; K372-E376 HydrophobicContact CG-CG 4.43Å; K372-E376 IonicContact NZ-OE1 3.2Å; K372-E376 PolarHBondContact NZ-OE1 2.78Å; K372-E376 IonicContact NZ-OE2 2.95Å; K372-E376 PolarHBondContact NZ-OE2 3.19Å; K372-E376 WeakPolarHBondContact O-CB 3.35Å; K372-E376 WeakPolarHBondContact O-CG 3.47Å; K372-E376 PolarHBondContact O-N 3.15Å; L373-E376 PolarHBondContact O-N 2.88Å; N374-E376 VanDerWaalsContact C-N 3.35Å; N374-E376 PolarHBondContact O-N 2.88Å; E376-A380 WeakPolarHBondContact O-CB 3.49Å; E376-A380 PolarHBondContact O-N 3.34Å
377	A	89.8	Confident	91.7	Very high	61 Å²	61	92 Å²	92	50%	0.504	49%	0.491	S	S	.	.	H	α-helix	trans	-68.8	-42.4	174.2	0	0	0	0	0	112.3	L373 N374 L375 A380 A381	L373-A377 WeakPolarHBondContact O-CB 3.39Å; L373-A377 PolarHBondContact O-N 3.35Å; N374-A377 PolarHBondContact O-N 3.21Å; L375-A377 VanDerWaalsContact C-N 3.31Å; L375-A377 PolarHBondContact O-N 2.86Å; A377-A380 PolarHBondContact O-N 2.84Å; A377-A381 WeakPolarHBondContact O-CB 3.12Å; A377-A381 PolarHBondContact O-N 3.34Å
378	E	94.8	Very high	90.9	Very high	80 Å²	80	91.2 Å²	91.2	37%	0.374	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-47.2	174.5	-75.7	175.8	-164.6	0	0	111.4	N374 L375 A380 A381 Y382	N374-E378 PolarHBondContact ND2-OE1 3.01Å; N374-E378 WeakPolarHBondContact O-CG 3.39Å; N374-E378 PolarHBondContact O-N 3.23Å; L375-E378 PolarHBondContact O-N 2.95Å; E378-A380 VanDerWaalsContact C-N 3.33Å; E378-A380 PolarHBondContact O-N 3.35Å; E378-A381 WeakPolarHBondContact O-CB 3.37Å; E378-A381 PolarHBondContact O-N 2.99Å; E378-A381 VanDerWaalsContact O-N 3.16Å; E378-Y382 HydrophobicContact CB-CD2 4.44Å; E378-Y382 HydrophobicContact CB-CE2 4.22Å; E378-Y382 WeakPolarHBondContact O-CD2 3.47Å; E378-Y382 PolarHBondContact O-N 2.9Å
379	I	88.5	Confident	90	Very high	103 Å²	103	90.6 Å²	90.6	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-58.9	-46.3	175.6	-68.5	163.5	0	0	0	110	L375 A381 Y382 S383	L375-I379 WeakPolarHBondContact O-CB 3.23Å; L375-I379 WeakPolarHBondContact O-CD1 3.34Å; L375-I379 WeakPolarHBondContact O-CG1 3.5Å; L375-I379 PolarHBondContact O-N 3.24Å; I379-A381 VanDerWaalsContact C-N 3.3Å; I379-A381 PolarHBondContact O-N 3.49Å; I379-Y382 PolarHBondContact O-N 2.69Å; I379-S383 WeakPolarHBondContact O-CB 3.32Å; I379-S383 PolarHBondContact O-N 3.25Å; I379-S383 PolarHBondContact O-OG 2.78Å; I379-S383 VanDerWaalsContact O-OG 3.05Å
380	A	91.2	Very high	88.8	Confident	40 Å²	40	92.7 Å²	92.7	33%	0.331	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-36.5	177.8	0	0	0	0	0	112.6	E376 A377 E378 R384	E376-A380 WeakPolarHBondContact O-CB 3.49Å; E376-A380 PolarHBondContact O-N 3.34Å; A377-A380 PolarHBondContact O-N 2.84Å; E378-A380 VanDerWaalsContact C-N 3.33Å; E378-A380 PolarHBondContact O-N 3.35Å; A380-R384 WeakPolarHBondContact O-CG 3.34Å; A380-R384 PolarHBondContact O-N 2.77Å; A380-R384 VanDerWaalsContact O-N 3.11Å
381	A	90.9	Very high	87.5	Confident	54 Å²	54	91.5 Å²	91.5	45%	0.446	49%	0.49	S	S	.	.	H	α-helix	trans	-67.2	-44.6	174.2	0	0	0	0	0	111.7	A377 E378 I379 R384 L385	A377-A381 WeakPolarHBondContact O-CB 3.12Å; A377-A381 PolarHBondContact O-N 3.34Å; E378-A381 WeakPolarHBondContact O-CB 3.37Å; E378-A381 PolarHBondContact O-N 2.99Å; E378-A381 VanDerWaalsContact O-N 3.16Å; I379-A381 VanDerWaalsContact C-N 3.3Å; I379-A381 PolarHBondContact O-N 3.49Å; A381-R384 PolarHBondContact O-N 3.15Å; A381-L385 PolarHBondContact O-N 2.82Å
382	Y	91.7	Very high	85.7	Confident	146 Å²	146	95.1 Å²	95.1	57%	0.573	50%	0.502	S	S	*	.	H	α-helix	trans	-62.9	-41.7	174.9	-71.9	-56.1	0	0	0	112.3	E378 I379 R384 L385 L386	E378-Y382 HydrophobicContact CB-CD2 4.44Å; E378-Y382 HydrophobicContact CB-CE2 4.22Å; E378-Y382 WeakPolarHBondContact O-CD2 3.47Å; E378-Y382 PolarHBondContact O-N 2.9Å; I379-Y382 PolarHBondContact O-N 2.69Å; Y382-R384 VanDerWaalsContact C-N 3.35Å; Y382-R384 PolarHBondContact O-N 2.89Å; Y382-L385 WeakPolarHBondContact O-CB 3.4Å; Y382-L385 PolarHBondContact O-N 3.49Å; Y382-L386 WeakPolarHBondContact O-CG 3.26Å; Y382-L386 PolarHBondContact O-N 3.38Å
383	S	88.5	Confident	83.9	Confident	52 Å²	52	93.2 Å²	93.2	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-44.9	175	-65	0	0	0	0	111.6	I379 L385 L386 E387	I379-S383 WeakPolarHBondContact O-CB 3.32Å; I379-S383 PolarHBondContact O-N 3.25Å; I379-S383 PolarHBondContact O-OG 2.78Å; I379-S383 VanDerWaalsContact O-OG 3.05Å; S383-L385 VanDerWaalsContact C-N 3.33Å; S383-L385 PolarHBondContact O-N 3.44Å; S383-L386 PolarHBondContact O-N 3.39Å; S383-E387 WeakPolarHBondContact O-CB 3.36Å; S383-E387 WeakPolarHBondContact O-CG 3.5Å; S383-E387 PolarHBondContact O-N 3.24Å
384	R	85.4	Confident	82.1	Confident	179 Å²	179	91.6 Å²	91.6	68%	0.675	49%	0.493	S	S	*	.	H	α-helix	trans	-63.2	-38.4	175.7	-73	174.3	-175.6	149.6	2.7	112.7	A380 A381 Y382 A388	A380-R384 WeakPolarHBondContact O-CG 3.34Å; A380-R384 PolarHBondContact O-N 2.77Å; A380-R384 VanDerWaalsContact O-N 3.11Å; A381-R384 PolarHBondContact O-N 3.15Å; Y382-R384 VanDerWaalsContact C-N 3.35Å; Y382-R384 PolarHBondContact O-N 2.89Å; R384-A388 WeakPolarHBondContact O-CB 3.32Å; R384-A388 PolarHBondContact O-N 2.86Å; R384-A388 VanDerWaalsContact O-N 3.09Å
385	L	88.4	Confident	79.8	Confident	119 Å²	119	94.1 Å²	94.1	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-65.6	-43	177.6	-167.2	76.4	0	0	0	111.3	A381 Y382 S383 A388 Q389	A381-L385 PolarHBondContact O-N 2.82Å; Y382-L385 WeakPolarHBondContact O-CB 3.4Å; Y382-L385 PolarHBondContact O-N 3.49Å; S383-L385 VanDerWaalsContact C-N 3.33Å; S383-L385 PolarHBondContact O-N 3.44Å; L385-A388 PolarHBondContact O-N 3.42Å; L385-Q389 PolarHBondContact O-N 3.43Å
386	L	83.4	Confident	77.4	Confident	99 Å²	99	95 Å²	95	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-43.5	176.5	-74.1	165.8	0	0	0	111.9	Y382 S383 A388 Q389 D390	Y382-L386 WeakPolarHBondContact O-CG 3.26Å; Y382-L386 PolarHBondContact O-N 3.38Å; S383-L386 PolarHBondContact O-N 3.39Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 2.74Å; L386-Q389 PolarHBondContact O-N 2.61Å; L386-D390 WeakPolarHBondContact O-CB 3.35Å; L386-D390 PolarHBondContact O-N 2.83Å
387	E	80.2	Confident	74.9	Confident	126 Å²	126	98.4 Å²	98.4	59%	0.589	53%	0.53	S	S	*	.	H	α-helix	trans	-61.4	-39.1	176.5	-76.9	173	-177.8	0	0	112.6	S383 S391	S383-E387 WeakPolarHBondContact O-CB 3.36Å; S383-E387 WeakPolarHBondContact O-CG 3.5Å; S383-E387 PolarHBondContact O-N 3.24Å; E387-S391 WeakPolarHBondContact O-CB 3.33Å; E387-S391 PolarHBondContact O-N 2.97Å; E387-S391 PolarHBondContact O-OG 2.97Å
388	A	78.6	Confident	72.4	Confident	53 Å²	53	99.9 Å²	99.9	44%	0.438	54%	0.537	S	S	.	.	H	α-helix	trans	-67.7	-38.2	175.5	0	0	0	0	0	112	R384 L385 L386 S391 L392	R384-A388 WeakPolarHBondContact O-CB 3.32Å; R384-A388 PolarHBondContact O-N 2.86Å; R384-A388 VanDerWaalsContact O-N 3.09Å; L385-A388 PolarHBondContact O-N 3.42Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 2.74Å; A388-S391 PolarHBondContact O-N 3.38Å; A388-L392 PolarHBondContact O-N 2.86Å; A388-L392 VanDerWaalsContact O-N 3.13Å
389	Q	76.4	Confident	69.3	Low	106 Å²	106	104.6 Å²	104.6	50%	0.495	56%	0.558	S	S	.	*	H	α-helix	trans	-69.9	-43.6	176.2	-172.3	173.9	-0.4	0	0	111.8	L385 L386 S391 L392 I393	L385-Q389 PolarHBondContact O-N 3.43Å; L386-Q389 PolarHBondContact O-N 2.61Å; Q389-S391 VanDerWaalsContact C-N 3.27Å; Q389-S391 PolarHBondContact O-N 3.3Å; Q389-L392 WeakPolarHBondContact O-CB 3.37Å; Q389-L392 PolarHBondContact O-N 3.14Å; Q389-L392 VanDerWaalsContact O-N 3.12Å; Q389-I393 HydrophobicContact CG-CD1 3.94Å; Q389-I393 VanDerWaalsContact O-CG1 3.31Å; Q389-I393 WeakPolarHBondContact O-CG1 3.49Å; Q389-I393 PolarHBondContact O-N 3.27Å
390	D	69.7	Low	66.7	Low	102 Å²	102	106.3 Å²	106.3	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-62.4	-36.2	174.3	-83.7	-18.8	0	0	0	111.4	L386 L392 I393 S394	L386-D390 WeakPolarHBondContact O-CB 3.35Å; L386-D390 PolarHBondContact O-N 2.83Å; D390-L392 VanDerWaalsContact C-N 3.35Å; D390-L392 PolarHBondContact O-N 3.48Å; D390-I393 PolarHBondContact O-N 3.46Å; D390-S394 VanDerWaalsContact O-CB 3.3Å; D390-S394 WeakPolarHBondContact O-CB 3.41Å; D390-S394 PolarHBondContact O-N 2.91Å; D390-S394 PolarHBondContact O-OG 2.92Å
391	S	67.3	Low	63.9	Low	71 Å²	71	111 Å²	111	50%	0.497	59%	0.593	S	S	.	*	H	α-helix	trans	-62.2	-39.1	172.5	-63.4	0	0	0	0	112.5	E387 A388 Q389 S394 N395	E387-S391 WeakPolarHBondContact O-CB 3.33Å; E387-S391 PolarHBondContact O-N 2.97Å; E387-S391 PolarHBondContact O-OG 2.97Å; A388-S391 PolarHBondContact O-N 3.38Å; Q389-S391 VanDerWaalsContact C-N 3.27Å; Q389-S391 PolarHBondContact O-N 3.3Å; S391-S394 WeakPolarHBondContact CA-OG 3.33Å; S391-S394 PolarHBondContact O-OG 2.87Å; S391-N395 WeakPolarHBondContact O-CB 3.26Å; S391-N395 PolarHBondContact O-N 3.44Å
392	L	57.7	Low	61.1	Low	125 Å²	125	115.3 Å²	115.3	65%	0.654	61%	0.609	S	S	*	*	H	α-helix	trans	-70.2	-39.6	174.5	-75.2	163.4	0	0	0	112.2	A388 Q389 D390 T396	A388-L392 PolarHBondContact O-N 2.86Å; A388-L392 VanDerWaalsContact O-N 3.13Å; Q389-L392 WeakPolarHBondContact O-CB 3.37Å; Q389-L392 PolarHBondContact O-N 3.14Å; Q389-L392 VanDerWaalsContact O-N 3.12Å; D390-L392 VanDerWaalsContact C-N 3.35Å; D390-L392 PolarHBondContact O-N 3.48Å; L392-T396 WeakPolarHBondContact O-CG2 3.46Å; L392-T396 PolarHBondContact O-N 2.97Å; L392-T396 PolarHBondContact O-OG1 3.29Å
393	I	59.4	Low	58.3	Low	65 Å²	65	116.6 Å²	116.6	33%	0.333	62%	0.617	S	S	.	*	H	α-helix	trans	-68.9	-38.3	177.3	-65.7	166.7	0	0	0	110.8	Q389 D390 T396 K397	Q389-I393 HydrophobicContact CG-CD1 3.94Å; Q389-I393 VanDerWaalsContact O-CG1 3.31Å; Q389-I393 WeakPolarHBondContact O-CG1 3.49Å; Q389-I393 PolarHBondContact O-N 3.27Å; D390-I393 PolarHBondContact O-N 3.46Å; I393-T396 PolarHBondContact O-N 3.22Å; I393-T396 PolarHBondContact O-OG1 3.37Å; I393-K397 HydrophobicContact CG2-CD 4.12Å; I393-K397 WeakPolarHBondContact O-CB 3.3Å; I393-K397 WeakPolarHBondContact O-CG 3.42Å; I393-K397 PolarHBondContact O-N 2.67Å
394	S	56.2	Low	55.7	Low	67 Å²	67	123.2 Å²	123.2	47%	0.469	64%	0.642	S	S	.	*	H	α-helix	trans	-73.4	-38.2	178.6	47.2	0	0	0	0	112.3	D390 S391 T396 K397 S398	D390-S394 VanDerWaalsContact O-CB 3.3Å; D390-S394 WeakPolarHBondContact O-CB 3.41Å; D390-S394 PolarHBondContact O-N 2.91Å; D390-S394 PolarHBondContact O-OG 2.92Å; S391-S394 WeakPolarHBondContact CA-OG 3.33Å; S391-S394 PolarHBondContact O-OG 2.87Å; S394-T396 PolarHBondContact O-N 2.78Å; S394-K397 PolarHBondContact O-N 2.88Å; S394-K397 VanDerWaalsContact O-N 3.14Å; S394-S398 PolarHBondContact O-N 2.81Å
395	N	48.1	Very low	53.2	Low	142 Å²	142	120.5 Å²	120.5	76%	0.759	64%	0.641	S	S	*	*	H	α-helix	trans	-62.6	-23.2	172.7	-102.7	18.9	0	0	0	113.7	S391	S391-N395 WeakPolarHBondContact O-CB 3.26Å; S391-N395 PolarHBondContact O-N 3.44Å
396	T	45.2	Very low	50.8	Low	115 Å²	115	120.3 Å²	120.3	71%	0.706	65%	0.647	S	S	*	*	H	α-helix	trans	-93.3	-10.5	177.3	55.7	0	0	0	0	113.8	L392 I393 S394	L392-T396 WeakPolarHBondContact O-CG2 3.46Å; L392-T396 PolarHBondContact O-N 2.97Å; L392-T396 PolarHBondContact O-OG1 3.29Å; I393-T396 PolarHBondContact O-N 3.22Å; I393-T396 PolarHBondContact O-OG1 3.37Å; S394-T396 PolarHBondContact O-N 2.78Å
397	K	40.9	Very low	48.6	Very low	161 Å²	161	123.2 Å²	123.2	70%	0.7	66%	0.658	S	S	*	*	H	α-helix	trans	-114.9	-1.6	-173.5	-72	-174.1	178.7	178.2	0	116.1	I393 S394 H399	I393-K397 HydrophobicContact CG2-CD 4.12Å; I393-K397 WeakPolarHBondContact O-CB 3.3Å; I393-K397 WeakPolarHBondContact O-CG 3.42Å; I393-K397 PolarHBondContact O-N 2.67Å; S394-K397 PolarHBondContact O-N 2.88Å; S394-K397 VanDerWaalsContact O-N 3.14Å; K397-H399 PolarHBondContact O-N 2.85Å
398	S	38	Very low	46.3	Very low	93 Å²	93	125.2 Å²	125.2	65%	0.65	67%	0.667	S	S	*	*			trans	-92.6	71.1	174.5	65.9	0	0	0	0	112.9	S394	S394-S398 PolarHBondContact O-N 2.81Å
399	H	30.4	Very low	44.3	Very low	178 Å²	178	127.5 Å²	127.5	82%	0.824	68%	0.68	S	S	*	*			trans	-132.6	98.4	153.8	-113.2	54.8	0	0	0	107.2	K397	K397-H399 PolarHBondContact O-N 2.85Å
400	T	34.1	Very low	42.3	Very low	139 Å²	139	130.2 Å²	130.2	85%	0.853	69%	0.692	S	S	*	*			trans	150.3	93.4	159.2	43.2	0	0	0	0	107.8
401	N	30.7	Very low	40.7	Very low	140 Å²	140	134 Å²	134	75%	0.749	71%	0.707	S	S	*	*				65.6	87.7	85.9	-142.3	40	0	0	0	113.5
402	D	33.3	Very low	39.3	Very low	144 Å²	144	135.6 Å²	135.6	77%	0.77	72%	0.717	S	S	*	*			trans	172.6	104.6	132.2	-97.4	-24.8	0	0	0	107.9
403	K	32.8	Very low	38.2	Very low	172 Å²	172	136.9 Å²	136.9	75%	0.748	73%	0.725	S	S	*	*				50.4	129	81	-71.8	-170.9	179.7	177.7	0	114.1
404	Q	33.7	Very low	36.9	Very low	191 Å²	191	145.2 Å²	145.2	89%	0.893	75%	0.752	S	S	*	*			trans	85.3	114.7	174.3	-53.4	173	-8.1	0	0	111.6
405	N	33.8	Very low	36.1	Very low	122 Å²	122	147.9 Å²	147.9	65%	0.652	77%	0.771	S	S	*	*			cis	-173.1	136.1	45	-159.2	14.1	0	0	0	108.9	H407	N405-H407 PolarHBondContact ND2-NE2 3.33Å; N405-H407 PolarHBondContact O-N 2.97Å
406	P	36.4	Very low	35.5	Very low	115 Å²	115	143.9 Å²	143.9	75%	0.747	76%	0.763	S	S	*	*			trans	-88.4	100.2	179.8	32.3	-27.7	0	0	0	110.6
407	H	38.3	Very low	35.3	Very low	160 Å²	160	143.3 Å²	143.3	74%	0.741	76%	0.764	S	S	*	*			trans	-93.5	98.6	165.2	-81.2	-71.2	0	0	0	110	N405 S409	N405-H407 PolarHBondContact ND2-NE2 3.33Å; N405-H407 PolarHBondContact O-N 2.97Å; H407-S409 PolarHBondContact O-N 2.92Å
408	Q	31.7	Very low	35	Very low	169 Å²	169	138.3 Å²	138.3	79%	0.79	76%	0.758	S	S	*	*			trans	-58.8	119.8	157.5	-69.9	179.8	10.4	0	0	108.7
409	S	36.1	Very low	35.1	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	76%	0.761	S	S	*	*			trans	-133.8	110	150.2	55.2	0	0	0	0	108.5	H407 H411	H407-S409 PolarHBondContact O-N 2.92Å; S409-H411 PolarHBondContact O-N 3.46Å
410	H	34	Very low	35.4	Very low	163 Å²	163	142.6 Å²	142.6	76%	0.755	76%	0.764	S	S	*	*			trans	-73.8	104.9	167.5	-74.6	-81.7	0	0	0	108.3
411	H	37.1	Very low	35.7	Very low	182 Å²	182	146.4 Å²	146.4	84%	0.843	76%	0.763	S	S	*	*			trans	-124.1	93.9	155.3	-72	-40.7	0	0	0	108.4	S409	S409-H411 PolarHBondContact O-N 3.46Å
412	S	36.6	Very low	36.4	Very low	103 Å²	103	145.5 Å²	145.5	72%	0.72	77%	0.765	S	S	*	*			trans	-75.2	154.8	161	47.4	0	0	0	0	110.2
413	N	34.7	Very low	36.7	Very low	153 Å²	153	150.3 Å²	150.3	82%	0.818	77%	0.772	S	S	*	*			trans	69.8	95.4	163.3	-68.8	-6.3	0	0	0	117.7
414	R	33.3	Very low	37.3	Very low	240 Å²	240	149.1 Å²	149.1	91%	0.906	77%	0.774	S	S	*	*				-158.8	99.1	107.4	-155	155	178.7	176.4	-2.7	111.1	G416	R414-G416 PolarHBondContact O-N 3.46Å
415	S	38.7	Very low	37.3	Very low	122 Å²	122	148.9 Å²	148.9	85%	0.853	77%	0.773	S	S	*	*			trans	-62.3	73.9	151.2	37.2	0	0	0	0	109	S417	S415-S417 VanDerWaalsContact C-N 3.28Å; S415-S417 PolarHBondContact O-N 3.23Å
416	G	35.3	Very low	37.9	Very low	59 Å²	59	150 Å²	150	61%	0.608	78%	0.778	S	S	*	*			trans	-84.8	79.7	155.8	0	0	0	0	0	107.1	R414 G418	R414-G416 PolarHBondContact O-N 3.46Å; G416-G418 PolarHBondContact O-N 2.93Å
417	S	41.3	Very low	38	Very low	102 Å²	102	152.1 Å²	152.1	71%	0.713	78%	0.783	S	S	*	*			trans	-65.9	79.6	154.6	-175.9	0	0	0	0	105.5	S415 N419	S415-S417 VanDerWaalsContact C-N 3.28Å; S415-S417 PolarHBondContact O-N 3.23Å; S417-N419 PolarHBondContact O-N 2.83Å; S417-N419 PolarHBondContact OG-OD1 2.8Å
418	G	34.8	Very low	38.3	Very low	57 Å²	57	151.1 Å²	151.1	59%	0.588	78%	0.782	S	S	*	*			trans	-66.7	92.2	161.8	0	0	0	0	0	104.6	G416 Y420	G416-G418 PolarHBondContact O-N 2.93Å; G418-Y420 PolarHBondContact O-N 2.89Å
419	N	39.3	Very low	38.6	Very low	131 Å²	131	150.7 Å²	150.7	70%	0.701	78%	0.78	S	S	*	*			trans	-51.6	100.4	154.7	-74.2	34.3	0	0	0	105.1	S417 R421	S417-N419 PolarHBondContact O-N 2.83Å; S417-N419 PolarHBondContact OG-OD1 2.8Å; N419-R421 PolarHBondContact O-N 3.36Å
420	Y	38.2	Very low	38.9	Very low	230 Å²	230	151.2 Å²	151.2	90%	0.902	78%	0.778	S	S	*	*			trans	-56.8	88.5	161.2	-107.4	-96.7	0	0	0	105.4	G418 P422	G418-Y420 PolarHBondContact O-N 2.89Å; Y420-P422 WeakPolarHBondContact O-CD 3.15Å
421	R	40.2	Very low	39.4	Very low	219 Å²	219	146.7 Å²	146.7	83%	0.826	76%	0.763	S	S	*	*			trans	-68	119.3	164.2	-88.1	-172	171.2	-164.3	-1.8	105.6	N419 R423	N419-R421 PolarHBondContact O-N 3.36Å; R421-R423 PolarHBondContact O-N 3.28Å
422	P	45.7	Very low	39.4	Very low	121 Å²	121	142.9 Å²	142.9	79%	0.786	76%	0.757	S	S	*	*			trans	-61.5	104.3	170.8	-16	30.2	0	0	0	107.6	Y420 N424	Y420-P422 WeakPolarHBondContact O-CD 3.15Å; P422-N424 PolarHBondContact O-N 3.27Å
423	R	39.3	Very low	39.9	Very low	245 Å²	245	147.5 Å²	147.5	93%	0.925	76%	0.76	S	S	*	*			trans	-77.7	81.9	166.5	-173.8	-171.3	-109.6	160	-6.1	106.2	R421	R421-R423 PolarHBondContact O-N 3.28Å
424	N	44.7	Very low	40.1	Very low	147 Å²	147	146.1 Å²	146.1	79%	0.786	76%	0.757	S	S	*	*			trans	-153.1	57.3	158.5	-106.6	12.1	0	0	0	107.4	P422 L426	P422-N424 PolarHBondContact O-N 3.27Å; N424-L426 PolarHBondContact O-N 3.46Å
425	E	34.7	Very low	40.4	Very low	185 Å²	185	141.2 Å²	141.2	86%	0.864	76%	0.755	S	S	*	*			trans	-66.5	91.8	155.4	-73.7	177	-172.7	0	0	106	N427	E425-N427 VanDerWaalsContact C-N 3.31Å; E425-N427 PolarHBondContact O-N 3.18Å
426	L	45.4	Very low	40.3	Very low	147 Å²	147	138.8 Å²	138.8	77%	0.77	75%	0.749	S	S	*	*			trans	-57.8	104.5	160.1	-86.9	155.7	0	0	0	105.9	N424 I428	N424-L426 PolarHBondContact O-N 3.46Å; L426-I428 PolarHBondContact O-N 3.41Å
427	N	39.2	Very low	40.4	Very low	159 Å²	159	141.3 Å²	141.3	85%	0.85	76%	0.757	S	S	*	*			trans	-68.1	79.2	179.9	-151.6	11.7	0	0	0	107.8	E425 H429	E425-N427 VanDerWaalsContact C-N 3.31Å; E425-N427 PolarHBondContact O-N 3.18Å; N427-H429 VanDerWaalsContact C-N 3.3Å; N427-H429 PolarHBondContact O-N 3.13Å
428	I	44	Very low	40.3	Very low	139 Å²	139	141.2 Å²	141.2	71%	0.713	76%	0.756	S	S	*	*			trans	-76.4	92.4	173.9	-62	175.1	0	0	0	106.2	L426 V430	L426-I428 PolarHBondContact O-N 3.41Å; I428-V430 HydrophobicContact CG2-CG2 4.07Å; I428-V430 PolarHBondContact O-N 2.64Å
429	H	37.4	Very low	40.3	Very low	160 Å²	160	146.9 Å²	146.9	74%	0.741	77%	0.767	S	S	*	*			trans	-63	100.7	164.7	-175.2	72.2	0	0	0	107.7	N427 P431	N427-H429 VanDerWaalsContact C-N 3.3Å; N427-H429 PolarHBondContact O-N 3.13Å; H429-P431 WeakPolarHBondContact O-CD 3.45Å
430	V	43.4	Very low	40.1	Very low	112 Å²	112	148.3 Å²	148.3	68%	0.679	77%	0.77	S	S	*	*			trans	-81.8	116.1	168.3	-175.2	0	0	0	0	106.7	I428 S432	I428-V430 HydrophobicContact CG2-CG2 4.07Å; I428-V430 PolarHBondContact O-N 2.64Å; V430-S432 PolarHBondContact O-N 3.47Å; V430-S432 VanDerWaalsContact O-N 3.08Å
431	P	43.3	Very low	39.8	Very low	67 Å²	67	145.8 Å²	145.8	44%	0.435	77%	0.766	S	S	.	*			trans	-58.2	116.4	175.2	-22.7	34.5	0	0	0	109.4	H429 Y433	H429-P431 WeakPolarHBondContact O-CD 3.45Å; P431-Y433 HydrophobicContact CB-CE2 4.47Å; P431-Y433 PolarHBondContact O-N 3.47Å; P431-Y433 VanDerWaalsContact O-N 3.17Å
432	S	37.4	Very low	39.3	Very low	103 Å²	103	145.2 Å²	145.2	72%	0.72	77%	0.77	S	S	*	*			trans	-75.7	103.1	167.6	-164.4	0	0	0	0	107.1	V430 T434	V430-S432 PolarHBondContact O-N 3.47Å; V430-S432 VanDerWaalsContact O-N 3.08Å; S432-T434 VanDerWaalsContact C-N 3.27Å; S432-T434 PolarHBondContact O-N 3Å
433	Y	48.7	Very low	38.8	Very low	200 Å²	200	148 Å²	148	78%	0.784	77%	0.772	S	S	*	*			trans	-67.7	93.9	166.6	-58.3	-77.7	0	0	0	107.3	P431 T435	P431-Y433 HydrophobicContact CB-CE2 4.47Å; P431-Y433 PolarHBondContact O-N 3.47Å; P431-Y433 VanDerWaalsContact O-N 3.17Å; Y433-T435 PolarHBondContact O-N 3Å; Y433-T435 VanDerWaalsContact O-N 3.12Å
434	T	37.1	Very low	38.3	Very low	123 Å²	123	141 Å²	141	76%	0.755	76%	0.761	S	S	*	*			trans	-72.6	99.2	164.1	52.2	0	0	0	0	106.5	S432 G436	S432-T434 VanDerWaalsContact C-N 3.27Å; S432-T434 PolarHBondContact O-N 3Å; T434-G436 VanDerWaalsContact C-N 3.29Å; T434-G436 PolarHBondContact O-N 2.74Å
435	T	40.9	Very low	38	Very low	138 Å²	138	141.9 Å²	141.9	85%	0.847	76%	0.76	S	S	*	*			trans	-64.2	96.9	165.6	22.5	0	0	0	0	107.1	Y433 S437	Y433-T435 PolarHBondContact O-N 3Å; Y433-T435 VanDerWaalsContact O-N 3.12Å; T435-S437 PolarHBondContact O-N 3.05Å; T435-S437 VanDerWaalsContact O-N 3.11Å
436	G	36.5	Very low	38	Very low	71 Å²	71	140.2 Å²	140.2	73%	0.732	76%	0.757	S	S	*	*			trans	-53.7	117.1	173.7	0	0	0	0	0	109.6	T434 S438	T434-G436 VanDerWaalsContact C-N 3.29Å; T434-G436 PolarHBondContact O-N 2.74Å; G436-S438 VanDerWaalsContact C-N 3.28Å; G436-S438 PolarHBondContact O-N 3.35Å
437	S	37.7	Very low	37.6	Very low	111 Å²	111	140.5 Å²	140.5	78%	0.776	76%	0.759	S	S	*	*			trans	-68.6	90.1	168.1	65	0	0	0	0	108	T435 Q439	T435-S437 PolarHBondContact O-N 3.05Å; T435-S437 VanDerWaalsContact O-N 3.11Å; S437-Q439 PolarHBondContact O-N 3.43Å; S437-Q439 VanDerWaalsContact O-N 3.16Å
438	S	38	Very low	37.4	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	76%	0.76	S	S	*	*			trans	-72.5	107.5	168.8	-167.1	0	0	0	0	108.4	G436 H440	G436-S438 VanDerWaalsContact C-N 3.28Å; G436-S438 PolarHBondContact O-N 3.35Å; S438-H440 VanDerWaalsContact C-N 3.34Å; S438-H440 PolarHBondContact O-N 2.8Å
439	Q	34.6	Very low	37.1	Very low	177 Å²	177	138.6 Å²	138.6	83%	0.827	76%	0.764	S	S	*	*			trans	-70.9	88.3	169.3	-70.3	179.3	-21.6	0	0	108.7	S437	S437-Q439 PolarHBondContact O-N 3.43Å; S437-Q439 VanDerWaalsContact O-N 3.16Å
440	H	35.7	Very low	37.2	Very low	161 Å²	161	133.3 Å²	133.3	75%	0.745	75%	0.753	S	S	*	*			trans	-118.8	103.4	162.3	-88.5	-64.7	0	0	0	111.6	S438	S438-H440 VanDerWaalsContact C-N 3.34Å; S438-H440 PolarHBondContact O-N 2.8Å
441	Q	32.7	Very low	36.7	Very low	177 Å²	177	136.2 Å²	136.2	83%	0.827	75%	0.752	S	S	*	*			trans	17.5	110.5	150.1	-79.8	172.7	-14.9	0	0	118.4	Q443	Q441-Q443 PolarHBondContact O-N 3.22Å
442	K	29.8	Very low	36.1	Very low	207 Å²	207	144.9 Å²	144.9	90%	0.9	78%	0.776	S	S	*	*			trans	-12.3	112.5	141	-67.7	175.7	173.9	179.2	0	114.3
443	Q	35	Very low	36.1	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	77%	0.77	S	S	*	*			trans	-117.7	114.4	138.2	-78.2	-173.4	6.6	0	0	108.4	Q441 H445	Q441-Q443 PolarHBondContact O-N 3.22Å; Q443-H445 PolarHBondContact O-N 3.37Å
444	S	29.1	Very low	35.3	Very low	99 Å²	99	143.8 Å²	143.8	69%	0.692	77%	0.773	S	S	*	*			trans	-66.2	103.9	175	146.6	0	0	0	0	108.8
445	H	37.8	Very low	35.1	Very low	165 Å²	165	148.3 Å²	148.3	76%	0.764	78%	0.776	S	S	*	*			trans	-119.5	101.3	157.2	-83.4	24.4	0	0	0	107.9	Q443 N447	Q443-H445 PolarHBondContact O-N 3.37Å; H445-N447 PolarHBondContact O-N 2.86Å
446	N	34.6	Very low	34.8	Very low	150 Å²	150	149.8 Å²	149.8	80%	0.802	77%	0.774	S	S	*	*			trans	-57.8	100.6	165.1	-76.7	-21.5	0	0	0	108
447	N	37.2	Very low	34.7	Very low	152 Å²	152	154 Å²	154	81%	0.813	77%	0.774	S	S	*	*			trans	-130.2	108.3	160.6	-103.1	-10.7	0	0	0	108.7	H445 S449	H445-N447 PolarHBondContact O-N 2.86Å; N447-S449 PolarHBondContact O-N 3.16Å
448	V	35.1	Very low	34.9	Very low	143 Å²	143	154.6 Å²	154.6	87%	0.867	78%	0.776	S	S	*	*			trans	-61.3	96.9	174.1	175.3	0	0	0	0	107.2	G450	V448-G450 VanDerWaalsContact C-N 3.3Å; V448-G450 PolarHBondContact O-N 3.03Å
449	S	37.9	Very low	34.9	Very low	116 Å²	116	156 Å²	156	81%	0.811	79%	0.786	S	S	*	*			trans	-74	89.1	171.1	179.1	0	0	0	0	108.2	N447 R451	N447-S449 PolarHBondContact O-N 3.16Å; S449-R451 PolarHBondContact O-N 3.11Å; S449-R451 VanDerWaalsContact O-N 3.17Å
450	G	37.8	Very low	35	Very low	48 Å²	48	150.5 Å²	150.5	50%	0.495	78%	0.776	S	S	.	*			trans	-63.3	108.7	171	0	0	0	0	0	109.7	V448 W452	V448-G450 VanDerWaalsContact C-N 3.3Å; V448-G450 PolarHBondContact O-N 3.03Å; G450-W452 VanDerWaalsContact O-CD1 3.25Å; G450-W452 PolarHBondContact O-N 3.34Å; G450-W452 VanDerWaalsContact O-N 3.14Å
451	R	34	Very low	35	Very low	174 Å²	174	152 Å²	152	66%	0.657	78%	0.783	S	S	*	*			trans	-67.4	103	173.4	-177.4	177.9	177.4	-167.9	1	109.2	D144 S449 V453	D144-R451 IonicContact OD2-NH1 3.68Å; D144-R451 PolarHBondContact OD2-NH1 3.12Å; D144-R451 VanDerWaalsContact OD2-NH1 3.08Å; S449-R451 PolarHBondContact O-N 3.11Å; S449-R451 VanDerWaalsContact O-N 3.17Å; R451-V453 PolarHBondContact O-N 2.88Å
452	W	29.7	Very low	35.1	Very low	248 Å²	248	148.8 Å²	148.8	94%	0.939	78%	0.781	S	S	*	*			trans	-58.4	114	172.9	-65.1	81	0	0	0	110	G450	G450-W452 VanDerWaalsContact O-CD1 3.25Å; G450-W452 PolarHBondContact O-N 3.34Å; G450-W452 VanDerWaalsContact O-N 3.14Å
453	V	38.5	Very low	35.6	Very low	99 Å²	99	145 Å²	145	60%	0.6	78%	0.775	S	S	*	*			trans	-100.1	120.4	165.8	176.7	0	0	0	0	106.8	R451 R455	R451-V453 PolarHBondContact O-N 2.88Å; V453-R455 PolarHBondContact O-N 2.83Å
454	E	31.8	Very low	35.4	Very low	181 Å²	181	145.9 Å²	145.9	85%	0.846	77%	0.77	S	S	*	*			trans	-56.7	118.9	178.9	-162.7	159.7	-160.2	0	0	110.2	E456	E454-E456 PolarHBondContact O-N 3.43Å
455	R	33.2	Very low	35.7	Very low	218 Å²	218	145.5 Å²	145.5	82%	0.823	77%	0.768	S	S	*	*			trans	-89.7	96.8	-175.5	-173.4	-178.8	-177	-170.8	-0.1	108.6	V453	V453-R455 PolarHBondContact O-N 2.83Å
456	E	34.8	Very low	35.6	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.794	77%	0.766	S	S	*	*			trans	-68.2	122.4	164.3	-77.7	-80.9	159.7	0	0	108.9	E454 P458	E454-E456 PolarHBondContact O-N 3.43Å; E456-P458 VanDerWaalsContact O-CD 3.26Å; E456-P458 WeakPolarHBondContact O-CD 3.04Å
457	E	33	Very low	35.5	Very low	159 Å²	159	145.5 Å²	145.5	74%	0.743	76%	0.763	S	S	*	*			trans	-76.6	114.1	178.5	-74.5	-119.9	145	0	0	110.8	S459	E457-S459 PolarHBondContact O-N 2.81Å
458	P	43.9	Very low	35.1	Very low	124 Å²	124	147.3 Å²	147.3	81%	0.805	76%	0.764	S	S	*	*			trans	-81.8	104.4	172.6	-2.3	22.1	0	0	0	108.7	E456 G460	E456-P458 VanDerWaalsContact O-CD 3.26Å; E456-P458 WeakPolarHBondContact O-CD 3.04Å; P458-G460 PolarHBondContact O-N 3.39Å
459	S	36.2	Very low	35.1	Very low	130 Å²	130	146.1 Å²	146.1	91%	0.909	76%	0.756	S	S	*	*			trans	-66.7	80	162.2	47.7	0	0	0	0	109.6	E457	E457-S459 PolarHBondContact O-N 2.81Å
460	G	37.5	Very low	34.8	Very low	61 Å²	61	148.1 Å²	148.1	63%	0.629	75%	0.753	S	S	*	*			trans	-125.5	107.8	-179.7	0	0	0	0	0	111.8	P458 S462	P458-G460 PolarHBondContact O-N 3.39Å; G460-S462 PolarHBondContact O-N 2.79Å
461	Q	35.1	Very low	34.6	Very low	192 Å²	192	156.5 Å²	156.5	90%	0.897	77%	0.77	S	S	*	*			trans	-59.6	115.1	174.4	-68.2	169.7	-10.3	0	0	110.2	T463	Q461-T463 PolarHBondContact O-N 2.91Å
462	S	35.9	Very low	34.6	Very low	110 Å²	110	153.3 Å²	153.3	77%	0.769	77%	0.774	S	S	*	*			trans	-84.4	93.9	-179.7	-171.4	0	0	0	0	110.7	G460 R464	G460-S462 PolarHBondContact O-N 2.79Å; S462-R464 PolarHBondContact O-N 3.33Å
463	T	40.5	Very low	35	Very low	128 Å²	128	149 Å²	149	79%	0.785	77%	0.768	S	S	*	*			trans	-81.1	93.8	166.6	-33.1	0	0	0	0	107.9	Q461 S465	Q461-T463 PolarHBondContact O-N 2.91Å; T463-S465 PolarHBondContact O-N 2.92Å
464	R	29.5	Very low	34.7	Very low	196 Å²	196	153.6 Å²	153.6	74%	0.74	78%	0.783	S	S	*	*			trans	-64.3	93.3	171.6	-84.8	176.3	74.1	-158.5	8.8	109.6	S462 H466	S462-R464 PolarHBondContact O-N 3.33Å; R464-H466 PolarHBondContact NH2-NE2 3.44Å
465	S	36.2	Very low	34.9	Very low	92 Å²	92	146.8 Å²	146.8	64%	0.643	76%	0.761	S	S	*	*			trans	-88.5	110.9	159.3	59.1	0	0	0	0	108.3	T463 H467	T463-S465 PolarHBondContact O-N 2.92Å; S465-H467 PolarHBondContact O-N 3.19Å
466	H	34.5	Very low	35.1	Very low	156 Å²	156	144 Å²	144	72%	0.722	76%	0.763	S	S	*	*			trans	-67.4	97.6	169.3	-84.2	-89.5	0	0	0	108.7	R464	R464-H466 PolarHBondContact NH2-NE2 3.44Å
467	H	33.2	Very low	35.3	Very low	158 Å²	158	143.6 Å²	143.6	73%	0.731	76%	0.76	S	S	*	*			trans	-97.2	94.1	161.8	-90.2	76.1	0	0	0	108.6	S465 V469	S465-H467 PolarHBondContact O-N 3.19Å; H467-V469 PolarHBondContact O-N 3.46Å
468	F	29.4	Very low	35.3	Very low	191 Å²	191	143.7 Å²	143.7	84%	0.838	76%	0.76	S	S	*	*			trans	-76	99.4	165.9	179.7	-100.1	0	0	0	107.6
469	V	34.5	Very low	34.9	Very low	117 Å²	117	145.5 Å²	145.5	71%	0.709	76%	0.762	S	S	*	*			trans	-105.6	107.4	171.8	179.6	0	0	0	0	108.3	H467 R471	H467-V469 PolarHBondContact O-N 3.46Å; V469-R471 PolarHBondContact O-N 3.09Å
470	E	31	Very low	34.6	Very low	158 Å²	158	144 Å²	144	74%	0.738	75%	0.752	S	S	*	*			trans	-51.1	116.3	172.4	-168.5	168	-159.2	0	0	110.7
471	R	34.5	Very low	34.3	Very low	225 Å²	225	146 Å²	146	85%	0.849	76%	0.755	S	S	*	*			trans	-95	109.3	166.8	-75.4	-173.5	-172	-106.4	1.6	108.3	V469 I473	V469-R471 PolarHBondContact O-N 3.09Å; R471-I473 PolarHBondContact O-N 3.35Å
472	S	33.6	Very low	33.8	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	75%	0.753	S	S	*	*			trans	-61.4	108.5	166	-50.5	0	0	0	0	109.2	E474	S472-E474 PolarHBondContact O-N 2.85Å
473	I	38	Very low	33.8	Very low	158 Å²	158	147.3 Å²	147.3	81%	0.81	76%	0.755	S	S	*	*			trans	-92.3	96.2	169.3	-63.1	172.2	0	0	0	106.6	R471 G475	R471-I473 PolarHBondContact O-N 3.35Å; I473-G475 PolarHBondContact O-N 3.28Å; I473-G475 VanDerWaalsContact O-N 3.09Å
474	E	32.1	Very low	33.4	Very low	195 Å²	195	145.9 Å²	145.9	91%	0.911	75%	0.751	S	S	*	*			trans	-69.3	93.5	163.7	-73.2	174.4	162.8	0	0	108.2	S472	S472-E474 PolarHBondContact O-N 2.85Å
475	G	35.9	Very low	33.4	Very low	37 Å²	37	144.5 Å²	144.5	38%	0.381	76%	0.758	S	S	.	*			trans	-141.4	91.7	175.7	0	0	0	0	0	109.8	I473 H477	I473-G475 PolarHBondContact O-N 3.28Å; I473-G475 VanDerWaalsContact O-N 3.09Å; G475-H477 PolarHBondContact O-N 2.93Å
476	N	36.9	Very low	33.2	Very low	161 Å²	161	146.6 Å²	146.6	86%	0.861	76%	0.761	S	S	*	*			trans	-64.6	70.1	172.8	-90.4	5.3	0	0	0	111.3	H478	N476-H478 PolarHBondContact O-N 3.08Å; N476-H478 PolarHBondContact O-ND1 3.36Å
477	H	39.1	Very low	33.1	Very low	161 Å²	161	147.2 Å²	147.2	75%	0.745	77%	0.77	S	S	*	*			trans	-90.3	88.3	168.5	-66.7	-65.4	0	0	0	108.9	G475 L479	G475-H477 PolarHBondContact O-N 2.93Å; H477-L479 PolarHBondContact O-N 2.78Å
478	H	34.2	Very low	33.2	Very low	160 Å²	160	147.8 Å²	147.8	74%	0.741	77%	0.77	S	S	*	*			trans	-60.6	82.3	165.9	54.3	-77.6	0	0	0	109.5	N476 S480	N476-H478 PolarHBondContact O-N 3.08Å; N476-H478 PolarHBondContact O-ND1 3.36Å; H478-S480 PolarHBondContact O-N 3.33Å
479	L	34.5	Very low	33.5	Very low	163 Å²	163	148.2 Å²	148.2	85%	0.853	77%	0.774	S	S	*	*			trans	-78.2	81.6	165	-68.8	173	0	0	0	107.7	H477 C481	H477-L479 PolarHBondContact O-N 2.78Å; L479-C481 PolarHBondContact O-N 2.82Å
480	S	29.5	Very low	33.5	Very low	99 Å²	99	151.4 Å²	151.4	69%	0.692	78%	0.782	S	S	*	*			trans	-76.6	99.5	170.7	63.7	0	0	0	0	109	H478	H478-S480 PolarHBondContact O-N 3.33Å
481	C	31.2	Very low	34	Very low	103 Å²	103	151 Å²	151	70%	0.696	79%	0.785	S	S	*	*			trans	-101.7	95.6	160.5	-73.3	0	0	0	0	107.6	L479 Y483	L479-C481 PolarHBondContact O-N 2.82Å; C481-Y483 HydrophobicContact CB-CD2 4.22Å; C481-Y483 HydrophobicContact CB-CE2 4.14Å; C481-Y483 PolarHBondContact O-N 2.79Å
482	S	26.6	Very low	34.4	Very low	121 Å²	121	144.4 Å²	144.4	85%	0.846	77%	0.773	S	S	*	*			trans	-73.2	105.3	167.8	-66.7	0	0	0	0	108.6
483	Y	34.1	Very low	35.4	Very low	207 Å²	207	145.1 Å²	145.1	81%	0.812	77%	0.766	S	S	*	*			trans	-101.2	124.3	161.8	-81.6	-86.7	0	0	0	107.9	C481	C481-Y483 HydrophobicContact CB-CD2 4.22Å; C481-Y483 HydrophobicContact CB-CE2 4.14Å; C481-Y483 PolarHBondContact O-N 2.79Å
484	S	32	Very low	36.5	Very low	99 Å²	99	139.8 Å²	139.8	69%	0.692	74%	0.743	S	S	*	*			trans	-56.3	132.7	177.3	49.4	0	0	0	0	111.7	L486	S484-L486 PolarHBondContact O-N 2.8Å
485	D	29.4	Very low	38.7	Very low	166 Å²	166	135.1 Å²	135.1	89%	0.888	72%	0.721	S	S	*	*			trans	-51.9	103	175	-61.5	-55	0	0	0	111.4
486	L	33.8	Very low	41.1	Very low	136 Å²	136	137 Å²	137	71%	0.712	73%	0.728	S	S	*	*			trans	-123.9	99.6	162.9	-95.4	156.7	0	0	0	106.3	S484 K488	S484-L486 PolarHBondContact O-N 2.8Å; L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 3.18Å
487	D	32.2	Very low	43.6	Very low	170 Å²	170	132.9 Å²	132.9	91%	0.909	70%	0.704	S	S	*	*			trans	-45.6	88.4	167.6	-75.9	-44.7	0	0	0	110.7
488	K	34.4	Very low	46.1	Very low	170 Å²	170	128.3 Å²	128.3	74%	0.739	69%	0.687	S	S	*	*			trans	-134.2	105.1	166.7	-73.8	-170.5	180	-180	0	106.4	L486 Q490	L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 3.18Å; K488-Q490 VanDerWaalsContact C-N 3.25Å; K488-Q490 PolarHBondContact O-N 2.81Å
489	Q	35.2	Very low	48.9	Very low	199 Å²	199	126.3 Å²	126.3	93%	0.93	68%	0.677	S	S	*	*			trans	-42.7	89.3	165.3	-65.1	173.4	-15.7	0	0	109.7	N491	Q489-N491 VanDerWaalsContact C-N 3.28Å; Q489-N491 PolarHBondContact O-N 3.41Å
490	Q	34.9	Very low	51.6	Low	185 Å²	185	120.6 Å²	120.6	86%	0.864	65%	0.648	S	S	*	*			trans	-76.1	92.6	168.1	-82.3	-171.1	-4.1	0	0	106.1	K488 S492	K488-Q490 VanDerWaalsContact C-N 3.25Å; K488-Q490 PolarHBondContact O-N 2.81Å; Q490-S492 PolarHBondContact O-N 3.4Å
491	N	41.4	Very low	54.4	Low	149 Å²	149	125 Å²	125	80%	0.797	65%	0.65	S	S	*	*			trans	-48.3	108.7	154.4	-100	-14.6	0	0	0	106.8	Q489 M493	Q489-N491 VanDerWaalsContact C-N 3.28Å; Q489-N491 PolarHBondContact O-N 3.41Å; N491-M493 VanDerWaalsContact C-N 3.35Å; N491-M493 PolarHBondContact O-N 2.95Å
492	S	44	Very low	57.3	Low	87 Å²	87	122.3 Å²	122.3	61%	0.608	64%	0.639	S	S	*	*			trans	-63.8	105.1	167.6	73.8	0	0	0	0	106.6	Q490 S494	Q490-S492 PolarHBondContact O-N 3.4Å; S492-S494 VanDerWaalsContact C-N 3.26Å; S492-S494 PolarHBondContact O-N 3.48Å
493	M	53	Low	60.5	Low	121 Å²	121	120.9 Å²	120.9	60%	0.596	62%	0.619	S	S	*	*			trans	-75.5	86	-177.8	-123.2	165.3	60.3	0	0	107.3	N491 H495	N491-M493 VanDerWaalsContact C-N 3.35Å; N491-M493 PolarHBondContact O-N 2.95Å; M493-H495 PolarHBondContact O-N 3.07Å
494	S	62.9	Low	63.4	Low	46 Å²	46	111.1 Å²	111.1	32%	0.322	58%	0.581	S	S	.	*			trans	-73.9	119.7	171.3	58.5	0	0	0	0	109	S492 K511	S492-S494 VanDerWaalsContact C-N 3.26Å; S492-S494 PolarHBondContact O-N 3.48Å; S494-K511 WeakPolarHBondContact OG-CE 3.48Å; S494-K511 PolarHBondContact OG-NZ 3.13Å
495	H	77.9	Confident	66.5	Low	97 Å²	97	107.4 Å²	107.4	45%	0.449	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.3	128.4	173.1	-74.1	-79.8	0	0	0	109.7	M493 K607	M493-H495 PolarHBondContact O-N 3.07Å; H495-K607 PolarHBondContact N-O 3.47Å; H495-K607 PolarHBondContact O-N 2.94Å
496	S	85.8	Confident	69.7	Low	77 Å²	77	99.5 Å²	99.5	54%	0.538	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.4	169.4	55	0	0	0	0	110.8	I605	S496-I605 CarbonylContact C-O 3.44Å; S496-I605 WeakPolarHBondContact CA-O 3.35Å
497	E	89.7	Confident	72.6	Confident	75 Å²	75	96.6 Å²	96.6	35%	0.35	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.6	175.9	-65.3	168.4	-142.1	0	0	108	F499 H604 I605 K607	E497-F499 HydrophobicContact CB-CE2 4.17Å; E497-H604 CarbonylContact O-C 3.49Å; E497-H604 WeakPolarHBondContact O-CA 3.39Å; E497-I605 HydrophobicContact CB-CB 4.35Å; E497-I605 PolarHBondContact N-O 3.36Å; E497-I605 PolarHBondContact O-N 3.43Å; E497-K607 IonicContact OE1-NZ 3.87Å; E497-K607 PolarHBondContact OE1-NZ 3.35Å
498	T	91.2	Very high	75.5	Confident	65 Å²	65	91.2 Å²	91.2	40%	0.399	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.2	-179.1	-45.2	0	0	0	0	110.3	V505 T603 H604	T498-V505 HydrophobicContact CG2-CG1 4.36Å; T498-T603 CarbonylContact C-O 3.53Å; T498-T603 WeakPolarHBondContact CA-O 3.37Å; T498-H604 HydrophobicContact CG2-CB 4.42Å; T498-H604 PolarHBondContact OG1-ND1 3.4Å
499	F	92.6	Very high	78.3	Confident	117 Å²	117	83.2 Å²	83.2	51%	0.513	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.5	175.3	-61.4	-86.5	0	0	0	109	E497 A602 T603	E497-F499 HydrophobicContact CB-CE2 4.17Å; F499-A602 CarbonylContact O-C 3.15Å; F499-A602 VanDerWaalsContact O-CA 3.28Å; F499-A602 WeakPolarHBondContact O-CA 3.48Å; F499-T603 PolarHBondContact N-O 2.85Å; F499-T603 PolarHBondContact O-N 3.42Å
500	T	91	Very high	81	Confident	43 Å²	43	74.1 Å²	74.1	26%	0.264	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	139.7	178.2	-53.6	0	0	0	0	112.2	L504 V505 K601 A602	T500-L504 WeakPolarHBondContact CG2-O 3.23Å; T500-V505 HydrophobicContact CG2-CB 4.29Å; T500-V505 HydrophobicContact CG2-CG2 3.63Å; T500-K601 CarbonylContact C-O 3.56Å; T500-K601 WeakPolarHBondContact CA-O 3.48Å; T500-A602 HydrophobicContact CG2-CB 4.09Å
501	R	90	Very high	83.5	Confident	193 Å²	193	70.1 Å²	70.1	73%	0.728	37%	0.372	S	S	*	.			trans	-126.4	106	175.3	-65.5	178.7	175.1	176.6	-2	108	K601	R501-K601 WeakPolarHBondContact CA-O 3.29Å; R501-K601 PolarHBondContact N-O 3.39Å; R501-K601 WeakPolarHBondContact O-CD 3.06Å
502	G	90.4	Very high	85.8	Confident	45 Å²	45	68.1 Å²	68.1	46%	0.464	36%	0.361	S	S	.	.	S	Bend	trans	106.7	-162.9	-178.1	0	0	0	0	0	113.4	K521	G502-K521 WeakPolarHBondContact O-CE 3.38Å
503	H	93.7	Very high	88.1	Confident	92 Å²	92	64 Å²	64	43%	0.426	33%	0.333	S	S	.	.	S	Bend	trans	-86.7	-20.9	-171	-58.5	-62.7	0	0	0	114.2	K521 E526	H503-K521 WeakPolarHBondContact O-CG 3.36Å; H503-K521 PolarHBondContact O-N 2.82Å; H503-E526 HydrophobicContact CB-CG 4.25Å; H503-E526 IonicContact CD2-OE1 3.9Å; H503-E526 PolarHBondContact CD2-OE1 3.25Å; H503-E526 VanDerWaalsContact CD2-OE1 3.23Å; H503-E526 IonicContact CG-OE1 3.8Å
504	L	95.9	Very high	90	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.7	-179.8	-64.1	173.6	0	0	0	111.2	T500 I518 L519 N520 E526 L528 W531 L553 L593	T500-L504 WeakPolarHBondContact CG2-O 3.23Å; L504-I518 HydrophobicContact CD2-CG2 4.28Å; L504-L519 WeakPolarHBondContact CA-O 3.45Å; L504-N520 HydrophobicContact CD2-CB 3.9Å; L504-E526 HydrophobicContact CD1-CB 4.3Å; L504-E526 HydrophobicContact CD2-CB 3.9Å; L504-E526 HydrophobicContact CD2-CG 4.21Å; L504-E526 HydrophobicContact CG-CB 4.23Å; L504-E526 HydrophobicContact CG-CG 4.28Å; L504-L528 HydrophobicContact CD1-CD2 3.38Å; L504-L528 HydrophobicContact CD2-CD2 4.04Å; L504-L528 HydrophobicContact CG-CD2 4.34Å; L504-W531 HydrophobicContact CD1-CD2 4.06Å; L504-W531 HydrophobicContact CD1-CE3 4.13Å; L504-W531 HydrophobicContact CD1-CH2 3.68Å; L504-W531 HydrophobicContact CD1-CZ2 3.61Å; L504-W531 HydrophobicContact CD1-CZ3 3.93Å; L504-L553 HydrophobicContact CD2-CD2 4.13Å; L504-L593 HydrophobicContact CB-CD2 4.04Å
505	V	96.3	Very high	91.5	Very high	20 Å²	20	59.3 Å²	59.3	12%	0.121	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.8	-177.6	-179.7	0	0	0	0	109.2	T498 T500 N507 I518 L519 K521	T498-V505 HydrophobicContact CG2-CG1 4.36Å; T500-V505 HydrophobicContact CG2-CB 4.29Å; T500-V505 HydrophobicContact CG2-CG2 3.63Å; V505-N507 PolarHBondContact O-N 3.33Å; V505-I518 WeakPolarHBondContact O-CA 3.35Å; V505-L519 PolarHBondContact N-O 2.8Å; V505-L519 PolarHBondContact O-N 3.46Å; V505-K521 HydrophobicContact CG2-CD 3.59Å; V505-K521 HydrophobicContact CG2-CG 3.8Å
506	I	97.5	Very high	92.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	102.6	163.5	-59.2	164.5	0	0	0	107.1	I516 I518 L533 T591 L593 A602 H604	I506-I516 HydrophobicContact CG2-CG2 4.21Å; I506-I518 HydrophobicContact CB-CD1 4.31Å; I506-I518 HydrophobicContact CG1-CD1 3.75Å; I506-L533 HydrophobicContact CD1-CD2 4.38Å; I506-T591 HydrophobicContact CD1-CG2 4.04Å; I506-T591 VanDerWaalsContact CD1-O 3.24Å; I506-T591 WeakPolarHBondContact CD1-O 3.31Å; I506-L593 HydrophobicContact CD1-CB 4.06Å; I506-L593 HydrophobicContact CG1-CB 4.19Å; I506-A602 HydrophobicContact CD1-CB 4.23Å; I506-A602 HydrophobicContact CG1-CB 4.11Å; I506-H604 HydrophobicContact CB-CB 3.96Å; I506-H604 HydrophobicContact CD1-CB 4.21Å; I506-H604 HydrophobicContact CG2-CB 3.67Å
507	N	94.3	Very high	92.9	Very high	75 Å²	75	52.1 Å²	52.1	40%	0.401	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-48.7	-171.9	-169.6	52.2	0	0	0	111.8	V505 E517 L519	V505-N507 PolarHBondContact O-N 3.33Å; N507-E517 HydrophobicContact CB-CB 4.4Å; N507-E517 HydrophobicContact CB-CG 4.21Å; N507-E517 PolarHBondContact N-O 3.39Å; N507-E517 PolarHBondContact ND2-OE2 3.17Å; N507-L519 HydrophobicContact CB-CB 3.88Å
508	D	93.3	Very high	93.2	Very high	57 Å²	57	48.5 Å²	48.5	31%	0.305	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.2	-178.5	-175.1	31.7	0	0	0	110.9	Y515 E517	D508-Y515 HydrophobicContact CB-CE2 4.43Å; D508-Y515 WeakPolarHBondContact OD2-CE2 3.48Å; D508-Y515 PolarHBondContact OD2-OH 3.12Å; D508-E517 HydrophobicContact CB-CB 4.31Å; D508-E517 PolarHBondContact O-N 2.81Å
509	C	94.2	Very high	93.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	118.4	173.8	-74.5	0	0	0	0	108.3	K511 R535 Q606	C509-K511 PolarHBondContact O-N 2.77Å; C509-R535 PolarHBondContact SG-NH1 3.29Å; C509-Q606 VanDerWaalsContact CB-OE1 3.23Å; C509-Q606 PolarHBondContact O-NE2 3.32Å
510	A	91.9	Very high	93.6	Very high	9 Å²	9	41.8 Å²	41.8	7%	0.074	21%	0.214	C	C	.	.			trans	-62.9	127.3	-179.2	0	0	0	0	0	110.6	N512 G513 S514 Y515	A510-N512 VanDerWaalsContact CB-OD1 3.26Å; A510-N512 WeakPolarHBondContact CB-OD1 3.45Å; A510-N512 PolarHBondContact O-N 2.6Å; A510-G513 WeakPolarHBondContact O-CA 3.29Å; A510-G513 PolarHBondContact O-N 3.32Å; A510-S514 VanDerWaalsContact CB-OG 3.24Å; A510-S514 WeakPolarHBondContact CB-OG 3.43Å; A510-Y515 HydrophobicContact CB-CD1 3.73Å; A510-Y515 HydrophobicContact CB-CD2 4.36Å; A510-Y515 HydrophobicContact CB-CE1 3.73Å; A510-Y515 HydrophobicContact CB-CE2 4.33Å; A510-Y515 HydrophobicContact CB-CG 4.04Å; A510-Y515 PolarHBondContact N-O 3.35Å
511	K	87.1	Confident	93.8	Very high	101 Å²	101	44.7 Å²	44.7	44%	0.439	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.1	-177.5	-66	173.7	175.1	-179.1	0	113.4	S494 C509 G513 T585 L608	S494-K511 WeakPolarHBondContact OG-CE 3.48Å; S494-K511 PolarHBondContact OG-NZ 3.13Å; C509-K511 PolarHBondContact O-N 2.77Å; K511-G513 VanDerWaalsContact C-N 3.26Å; K511-G513 PolarHBondContact O-N 2.77Å; K511-T585 WeakPolarHBondContact O-CG2 3.5Å; K511-L608 HydrophobicContact CD-CD2 4.07Å; K511-L608 HydrophobicContact CG-CD2 4.44Å
512	N	88.8	Confident	94	Very high	106 Å²	106	35.6 Å²	35.6	57%	0.567	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	2.6	175.1	65.6	-6.3	0	0	0	113.3	A510 S514 T585	A510-N512 VanDerWaalsContact CB-OD1 3.26Å; A510-N512 WeakPolarHBondContact CB-OD1 3.45Å; A510-N512 PolarHBondContact O-N 2.6Å; N512-S514 VanDerWaalsContact C-N 3.33Å; N512-S514 PolarHBondContact O-N 3.22Å; N512-S514 WeakPolarHBondContact OD1-CB 3.47Å; N512-S514 PolarHBondContact OD1-N 2.78Å; N512-S514 PolarHBondContact OD1-OG 3.49Å; N512-T585 WeakPolarHBondContact O-CG2 3.26Å
513	G	92	Very high	94.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	20%	0.201	C	C	.	.	S	Bend	trans	73.1	18.4	-178.8	0	0	0	0	0	114.5	A510 K511 T582 W583	A510-G513 WeakPolarHBondContact O-CA 3.29Å; A510-G513 PolarHBondContact O-N 3.32Å; K511-G513 VanDerWaalsContact C-N 3.26Å; K511-G513 PolarHBondContact O-N 2.77Å; G513-T582 PolarHBondContact O-OG1 3.01Å; G513-W583 WeakPolarHBondContact O-CB 3.24Å; G513-W583 PolarHBondContact O-N 3.2Å
514	S	92.8	Very high	94.3	Very high	30 Å²	30	39 Å²	39	21%	0.21	20%	0.204	C	C	.	.	S	Bend	trans	-76	-33.5	-177.8	63.9	0	0	0	0	114.3	A510 N512 W562 A563	A510-S514 VanDerWaalsContact CB-OG 3.24Å; A510-S514 WeakPolarHBondContact CB-OG 3.43Å; N512-S514 VanDerWaalsContact C-N 3.33Å; N512-S514 PolarHBondContact O-N 3.22Å; N512-S514 WeakPolarHBondContact OD1-CB 3.47Å; N512-S514 PolarHBondContact OD1-N 2.78Å; N512-S514 PolarHBondContact OD1-OG 3.49Å; S514-W562 WeakPolarHBondContact O-CA 3.37Å; S514-A563 PolarHBondContact O-N 3.32Å
515	Y	95.1	Very high	94.3	Very high	39 Å²	39	45.9 Å²	45.9	15%	0.153	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	161.8	179	69.3	-100.7	0	0	0	112.7	D508 A510 E517 K560 I561 W562	D508-Y515 HydrophobicContact CB-CE2 4.43Å; D508-Y515 WeakPolarHBondContact OD2-CE2 3.48Å; D508-Y515 PolarHBondContact OD2-OH 3.12Å; A510-Y515 HydrophobicContact CB-CD1 3.73Å; A510-Y515 HydrophobicContact CB-CD2 4.36Å; A510-Y515 HydrophobicContact CB-CE1 3.73Å; A510-Y515 HydrophobicContact CB-CE2 4.33Å; A510-Y515 HydrophobicContact CB-CG 4.04Å; A510-Y515 PolarHBondContact N-O 3.35Å; Y515-E517 HydrophobicContact CD2-CB 4.3Å; Y515-E517 HydrophobicContact CE2-CB 4.23Å; Y515-K560 HydrophobicContact CD2-CD 4Å; Y515-K560 HydrophobicContact CD2-CG 4.22Å; Y515-K560 HydrophobicContact CE2-CD 4.16Å; Y515-K560 HydrophobicContact CG-CD 4.22Å; Y515-I561 VanDerWaalsContact CA-O 3.26Å; Y515-I561 WeakPolarHBondContact CA-O 3.41Å; Y515-W562 HydrophobicContact CD1-CE3 4.14Å; Y515-W562 AromaticContact CD1-CH2 3.56Å; Y515-W562 HydrophobicContact CD1-CH2 3.56Å; Y515-W562 HydrophobicContact CD1-CZ2 4.01Å; Y515-W562 AromaticContact CD1-CZ3 3.64Å; Y515-W562 HydrophobicContact CD1-CZ3 3.64Å; Y515-W562 HydrophobicContact CE1-CH2 4.16Å; Y515-W562 HydrophobicContact CG-CE3 4.49Å; Y515-W562 HydrophobicContact CG-CH2 4.42Å; Y515-W562 HydrophobicContact CG-CZ3 4.41Å
516	I	96.9	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.6	163.7	-61.5	171.5	0	0	0	107.1	I506 I518 L533 I561 W583 T591	I506-I516 HydrophobicContact CG2-CG2 4.21Å; I516-I518 HydrophobicContact CG2-CD1 4.34Å; I516-L533 HydrophobicContact CD1-CD1 4.42Å; I516-L533 HydrophobicContact CG2-CD1 4.13Å; I516-L533 HydrophobicContact CG2-CD2 4.32Å; I516-I561 PolarHBondContact N-O 2.88Å; I516-I561 VanDerWaalsContact N-O 3.08Å; I516-I561 VanDerWaalsContact O-CD1 3.25Å; I516-I561 WeakPolarHBondContact O-CD1 3.47Å; I516-I561 PolarHBondContact O-N 2.98Å; I516-W583 HydrophobicContact CD1-CB 4.46Å; I516-W583 HydrophobicContact CD1-CD2 3.46Å; I516-W583 VanDerWaalsContact CD1-CD2 3.46Å; I516-W583 HydrophobicContact CD1-CE3 3.56Å; I516-W583 HydrophobicContact CD1-CG 3.89Å; I516-W583 HydrophobicContact CD1-CH2 4.1Å; I516-W583 HydrophobicContact CD1-CZ2 4.08Å; I516-W583 HydrophobicContact CD1-CZ3 3.88Å; I516-W583 HydrophobicContact CG1-CD2 4.03Å; I516-W583 HydrophobicContact CG1-CG 4.01Å; I516-T591 HydrophobicContact CD1-CG2 3.97Å; I516-T591 HydrophobicContact CG2-CG2 4.46Å
517	E	95.7	Very high	94	Very high	22 Å²	22	49.4 Å²	49.4	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.8	179.6	-172.2	174	-128.7	0	0	111.1	N507 D508 Y515 T558 V559 K560	N507-E517 HydrophobicContact CB-CB 4.4Å; N507-E517 HydrophobicContact CB-CG 4.21Å; N507-E517 PolarHBondContact N-O 3.39Å; N507-E517 PolarHBondContact ND2-OE2 3.17Å; D508-E517 HydrophobicContact CB-CB 4.31Å; D508-E517 PolarHBondContact O-N 2.81Å; Y515-E517 HydrophobicContact CD2-CB 4.3Å; Y515-E517 HydrophobicContact CE2-CB 4.23Å; E517-T558 HydrophobicContact CG-CG2 4.47Å; E517-T558 PolarHBondContact OE1-OG1 3.42Å; E517-V559 WeakPolarHBondContact CA-O 3.36Å; E517-K560 HydrophobicContact CB-CG 3.98Å; E517-K560 VanDerWaalsContact CD-CE 3.49Å; E517-K560 HydrophobicContact CG-CG 3.83Å; E517-K560 WeakPolarHBondContact OE1-CE 3.34Å; E517-K560 IonicContact OE1-NZ 2.68Å
518	I	96.7	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.5	173.8	-57	-56.5	0	0	0	109.1	L504 V505 I506 I516 L533 F548 L553 T558 V559 I561 L593	L504-I518 HydrophobicContact CD2-CG2 4.28Å; V505-I518 WeakPolarHBondContact O-CA 3.35Å; I506-I518 HydrophobicContact CB-CD1 4.31Å; I506-I518 HydrophobicContact CG1-CD1 3.75Å; I516-I518 HydrophobicContact CG2-CD1 4.34Å; I518-L533 HydrophobicContact CD1-CD2 4.4Å; I518-F548 HydrophobicContact CG1-CZ 4.01Å; I518-L553 HydrophobicContact CG2-CD2 4.25Å; I518-T558 CarbonylContact O-C 3.56Å; I518-T558 WeakPolarHBondContact O-CA 3.3Å; I518-T558 WeakPolarHBondContact O-CB 3.25Å; I518-V559 HydrophobicContact CB-CG1 4Å; I518-V559 PolarHBondContact N-O 3.47Å; I518-V559 PolarHBondContact O-N 2.77Å; I518-I561 HydrophobicContact CG1-CD1 3.8Å; I518-L593 HydrophobicContact CD1-CD2 4.34Å
519	L	96.3	Very high	94.2	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.215	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.1	175.5	169.8	66.1	0	0	0	109.6	L504 V505 N507 T558	L504-L519 WeakPolarHBondContact CA-O 3.45Å; V505-L519 PolarHBondContact N-O 2.8Å; V505-L519 PolarHBondContact O-N 3.46Å; N507-L519 HydrophobicContact CB-CB 3.88Å; L519-T558 HydrophobicContact CB-CG2 3.96Å; L519-T558 HydrophobicContact CD1-CG2 3.51Å; L519-T558 HydrophobicContact CG-CG2 4.3Å
520	N	95.8	Very high	94.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	104.6	161.4	-177.6	3.2	0	0	0	109	L504 G522 T524 L553 S554 H556 S557	L504-N520 HydrophobicContact CD2-CB 3.9Å; N520-G522 VanDerWaalsContact C-N 3.3Å; N520-G522 WeakPolarHBondContact OD1-CA 3.17Å; N520-G522 PolarHBondContact OD1-N 3.38Å; N520-T524 PolarHBondContact ND2-O 3.23Å; N520-L553 HydrophobicContact CB-CB 4.35Å; N520-L553 HydrophobicContact CB-CD2 3.71Å; N520-L553 HydrophobicContact CB-CG 3.84Å; N520-L553 PolarHBondContact ND2-O 3.48Å; N520-S554 PolarHBondContact ND2-O 2.78Å; N520-H556 WeakPolarHBondContact O-CA 3.37Å; N520-H556 PolarHBondContact O-N 3.29Å; N520-S557 PolarHBondContact N-O 2.76Å
521	K	95.9	Very high	94.5	Very high	103 Å²	103	51.1 Å²	51.1	45%	0.448	26%	0.262	S	S	.	.			trans	-88	3.9	173.8	61.9	164.6	177.3	-168.5	0	113.3	G502 H503 V505	G502-K521 WeakPolarHBondContact O-CE 3.38Å; H503-K521 WeakPolarHBondContact O-CG 3.36Å; H503-K521 PolarHBondContact O-N 2.82Å; V505-K521 HydrophobicContact CG2-CD 3.59Å; V505-K521 HydrophobicContact CG2-CG 3.8Å
522	G	94.2	Very high	95	Very high	3 Å²	3	48 Å²	48	3%	0.031	25%	0.252	C	S	.	.	S	Bend	trans	-80.8	165.1	177.2	0	0	0	0	0	112.7	N520 T524 P555 H556	N520-G522 VanDerWaalsContact C-N 3.3Å; N520-G522 WeakPolarHBondContact OD1-CA 3.17Å; N520-G522 PolarHBondContact OD1-N 3.38Å; G522-T524 VanDerWaalsContact C-N 3.31Å; G522-P555 WeakPolarHBondContact O-CA 3.33Å; G522-P555 WeakPolarHBondContact O-CB 3.3Å; G522-H556 PolarHBondContact O-N 2.76Å
523	N	94.7	Very high	95.5	Very high	131 Å²	131	43 Å²	43	70%	0.701	23%	0.225	S	C	*	.	S	Bend	trans	-87.9	-0.9	174.8	-65.5	-26	0	0	0	112.8	P555 H556	N523-P555 WeakPolarHBondContact O-CG 3.4Å; N523-H556 PolarHBondContact OD1-CE1 3.49Å; N523-H556 PolarHBondContact OD1-NE2 3.48Å
524	T	95.3	Very high	95.8	Very high	78 Å²	78	44.3 Å²	44.3	48%	0.479	23%	0.232	S	C	.	.	S	Bend	trans	-121.9	153.7	-177.3	51	0	0	0	0	110.6	N520 G522	N520-T524 PolarHBondContact ND2-O 3.23Å; G522-T524 VanDerWaalsContact C-N 3.31Å
525	E	94.5	Very high	96	Very high	145 Å²	145	43 Å²	43	68%	0.678	22%	0.222	S	C	*	.			trans	-65.5	140.8	172.2	61.7	-178.1	-178.1	0	0	110.6
526	E	94	Very high	96	Very high	43 Å²	43	43.3 Å²	43.3	20%	0.201	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.5	-178.9	-75	-72.7	178.5	0	0	109.5	H503 L504 T552 L553	H503-E526 HydrophobicContact CB-CG 4.25Å; H503-E526 IonicContact CD2-OE1 3.9Å; H503-E526 PolarHBondContact CD2-OE1 3.25Å; H503-E526 VanDerWaalsContact CD2-OE1 3.23Å; H503-E526 IonicContact CG-OE1 3.8Å; L504-E526 HydrophobicContact CD1-CB 4.3Å; L504-E526 HydrophobicContact CD2-CB 3.9Å; L504-E526 HydrophobicContact CD2-CG 4.21Å; L504-E526 HydrophobicContact CG-CB 4.23Å; L504-E526 HydrophobicContact CG-CG 4.28Å; E526-T552 WeakPolarHBondContact O-CA 3.46Å; E526-L553 PolarHBondContact N-O 3.26Å; E526-L553 PolarHBondContact O-N 2.76Å
527	S	95.3	Very high	96	Very high	52 Å²	52	43.4 Å²	43.4	36%	0.364	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.3	172.9	-177.9	0	0	0	0	109.8	F529 W531	S527-F529 VanDerWaalsContact C-N 3.29Å; S527-F529 PolarHBondContact OG-N 3.14Å; S527-W531 VanDerWaalsContact O-CD1 3.28Å; S527-W531 PolarHBondContact O-NE1 2.89Å
528	L	95.2	Very high	95.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.			trans	-85.3	-1.5	173.1	-62.4	-177.9	0	0	0	112.4	L504 G530 W531 F548 H551 L553 V559	L504-L528 HydrophobicContact CD1-CD2 3.38Å; L504-L528 HydrophobicContact CD2-CD2 4.04Å; L504-L528 HydrophobicContact CG-CD2 4.34Å; L528-G530 PolarHBondContact O-N 3.3Å; L528-W531 VanDerWaalsContact CA-CD1 3.47Å; L528-W531 VanDerWaalsContact O-CB 3.32Å; L528-W531 WeakPolarHBondContact O-CB 3.47Å; L528-W531 VanDerWaalsContact O-CD1 3.3Å; L528-W531 PolarHBondContact O-N 3Å; L528-F548 HydrophobicContact CB-CB 4.07Å; L528-F548 HydrophobicContact CB-CD1 4.03Å; L528-F548 HydrophobicContact CB-CG 4.07Å; L528-F548 HydrophobicContact CD1-CD1 3.88Å; L528-F548 HydrophobicContact CD1-CE1 3.82Å; L528-F548 HydrophobicContact CD1-CZ 4.5Å; L528-F548 WeakPolarHBondContact O-CB 3.5Å; L528-H551 WeakPolarHBondContact CB-O 3.31Å; L528-H551 PolarHBondContact N-O 3.37Å; L528-L553 HydrophobicContact CD1-CB 4.47Å; L528-V559 HydrophobicContact CD1-CG1 3.89Å
529	F	96	Very high	95.4	Very high	128 Å²	128	52.1 Å²	52.1	56%	0.561	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	124.4	-179.4	-179.3	-118.6	0	0	0	112	S527 W531 N550 P596	S527-F529 VanDerWaalsContact C-N 3.29Å; S527-F529 PolarHBondContact OG-N 3.14Å; F529-W531 PolarHBondContact O-N 3.2Å; F529-N550 HydrophobicContact CD2-CB 4Å; F529-P596 WeakPolarHBondContact O-CG 3.29Å
530	G	94.8	Very high	95.1	Very high	23 Å²	23	52.1 Å²	52.1	24%	0.237	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-4.7	179.3	0	0	0	0	0	115	L528 F548	L528-G530 PolarHBondContact O-N 3.3Å; G530-F548 PolarHBondContact N-O 2.77Å
531	W	97.8	Very high	94.9	Very high	28 Å²	28	62 Å²	62	11%	0.106	32%	0.316	C	S	.	.			trans	-64.9	150.6	170.6	-72.5	69.5	0	0	0	110.4	L504 S527 L528 F529 T547 F548 L593 Y594 N595 K601	L504-W531 HydrophobicContact CD1-CD2 4.06Å; L504-W531 HydrophobicContact CD1-CE3 4.13Å; L504-W531 HydrophobicContact CD1-CH2 3.68Å; L504-W531 HydrophobicContact CD1-CZ2 3.61Å; L504-W531 HydrophobicContact CD1-CZ3 3.93Å; S527-W531 VanDerWaalsContact O-CD1 3.28Å; S527-W531 PolarHBondContact O-NE1 2.89Å; L528-W531 VanDerWaalsContact CA-CD1 3.47Å; L528-W531 VanDerWaalsContact O-CB 3.32Å; L528-W531 WeakPolarHBondContact O-CB 3.47Å; L528-W531 VanDerWaalsContact O-CD1 3.3Å; L528-W531 PolarHBondContact O-N 3Å; F529-W531 PolarHBondContact O-N 3.2Å; W531-T547 CarbonylContact O-C 3.56Å; W531-T547 WeakPolarHBondContact O-CA 3.46Å; W531-F548 HydrophobicContact CB-CB 4.49Å; W531-F548 HydrophobicContact CB-CD2 3.9Å; W531-F548 WeakPolarHBondContact O-CD2 3.48Å; W531-F548 PolarHBondContact O-N 3.41Å; W531-L593 HydrophobicContact CB-CD1 4.46Å; W531-L593 HydrophobicContact CE3-CD1 3.99Å; W531-L593 HydrophobicContact CE3-CD2 3.94Å; W531-L593 HydrophobicContact CE3-CG 3.72Å; W531-L593 HydrophobicContact CZ3-CD2 3.98Å; W531-L593 HydrophobicContact CZ3-CG 4.02Å; W531-Y594 WeakPolarHBondContact CA-O 3.19Å; W531-Y594 VanDerWaalsContact CE3-O 3.26Å; W531-N595 HydrophobicContact CD2-CB 4.24Å; W531-N595 HydrophobicContact CE3-CB 4.09Å; W531-N595 HydrophobicContact CH2-CB 3.74Å; W531-N595 HydrophobicContact CZ2-CB 3.87Å; W531-N595 HydrophobicContact CZ3-CB 3.86Å; W531-K601 HydrophobicContact CH2-CB 4.16Å; W531-K601 HydrophobicContact CH2-CG 3.8Å; W531-K601 HydrophobicContact CZ3-CB 3.76Å; W531-K601 HydrophobicContact CZ3-CG 3.72Å
532	C	98	Very high	94.8	Very high	35 Å²	35	61.5 Å²	61.5	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127	-176.3	-68.7	0	0	0	0	111.6	Y546 T547 L593 Y594	C532-Y546 CarbonylContact C-O 3.52Å; C532-Y546 VanDerWaalsContact CA-O 3.29Å; C532-Y546 WeakPolarHBondContact CA-O 3.11Å; C532-T547 PolarHBondContact SG-OG1 2.83Å; C532-L593 WeakPolarHBondContact O-CA 3.2Å; C532-Y594 PolarHBondContact N-O 2.85Å; C532-Y594 PolarHBondContact O-N 2.84Å
533	L	98.1	Very high	94.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.6	165.1	-87	164.8	0	0	0	109.8	I506 I516 I518 R545 Y546 F548 I561 W583 T591 S592 L593	I506-L533 HydrophobicContact CD1-CD2 4.38Å; I516-L533 HydrophobicContact CD1-CD1 4.42Å; I516-L533 HydrophobicContact CG2-CD1 4.13Å; I516-L533 HydrophobicContact CG2-CD2 4.32Å; I518-L533 HydrophobicContact CD1-CD2 4.4Å; L533-R545 CarbonylContact O-C 3.6Å; L533-R545 VanDerWaalsContact O-CA 3.31Å; L533-R545 WeakPolarHBondContact O-CA 3.16Å; L533-Y546 PolarHBondContact N-O 3.47Å; L533-Y546 PolarHBondContact O-N 3.49Å; L533-F548 HydrophobicContact CD1-CE2 3.62Å; L533-F548 HydrophobicContact CD1-CZ 3.56Å; L533-F548 HydrophobicContact CG-CE2 3.78Å; L533-F548 HydrophobicContact CG-CZ 4.21Å; L533-I561 HydrophobicContact CD1-CD1 4.29Å; L533-W583 HydrophobicContact CD1-CH2 4.48Å; L533-T591 HydrophobicContact CD2-CG2 3.82Å; L533-S592 WeakPolarHBondContact CA-O 3.36Å; L533-L593 HydrophobicContact CD2-CB 4.3Å; L533-L593 HydrophobicContact CD2-CD1 4.13Å; L533-L593 HydrophobicContact CG-CD1 4Å
534	I	98.1	Very high	95	Very high	30 Å²	30	59.8 Å²	59.8	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.6	172.3	-58.2	175.3	0	0	0	107.6	I543 I544 R545 T591 S592 Y594	I534-I543 HydrophobicContact CG2-CG2 3.92Å; I534-I544 WeakPolarHBondContact CA-O 3.4Å; I534-R545 HydrophobicContact CG1-CG 4.19Å; I534-R545 HydrophobicContact CG2-CG 4.35Å; I534-T591 WeakPolarHBondContact O-CA 3.24Å; I534-S592 PolarHBondContact N-O 3.39Å; I534-S592 PolarHBondContact O-N 2.77Å; I534-Y594 HydrophobicContact CB-CD2 4.49Å; I534-Y594 HydrophobicContact CB-CE2 4.09Å; I534-Y594 HydrophobicContact CD1-CD2 3.72Å; I534-Y594 HydrophobicContact CD1-CE2 3.54Å; I534-Y594 HydrophobicContact CG1-CD2 4.06Å; I534-Y594 HydrophobicContact CG1-CE2 4.03Å
535	R	96.6	Very high	95.1	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.9	178.4	-172.2	164.1	175.3	100	-3.9	109.7	C509 I537 I543 I544 W583 I589 Q590 T591	C509-R535 PolarHBondContact SG-NH1 3.29Å; R535-I537 HydrophobicContact CG-CG1 4.49Å; R535-I543 CarbonylContact O-C 3.5Å; R535-I543 WeakPolarHBondContact O-CA 3.09Å; R535-I544 PolarHBondContact N-O 2.79Å; R535-I544 PolarHBondContact O-N 2.83Å; R535-W583 VanDerWaalsContact CD-O 3.3Å; R535-W583 WeakPolarHBondContact CD-O 3.49Å; R535-W583 PolarHBondContact NE-O 2.95Å; R535-I589 HydrophobicContact CG-CG2 3.86Å; R535-I589 VanDerWaalsContact CZ-CG2 3.46Å; R535-Q590 CarbonylContact C-O 3.52Å; R535-Q590 WeakPolarHBondContact CA-O 3.44Å; R535-T591 HydrophobicContact CB-CG2 4.38Å; R535-T591 PolarHBondContact NH1-OG1 2.81Å
536	N	96.9	Very high	95.3	Very high	46 Å²	46	57.2 Å²	57.2	25%	0.246	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.1	-178.3	-174.7	-3.4	0	0	0	109.9	G540 I543 Q590	N536-G540 WeakPolarHBondContact OD1-CA 3.47Å; N536-G540 PolarHBondContact OD1-N 2.74Å; N536-I543 HydrophobicContact CB-CG1 4.47Å; N536-Q590 PolarHBondContact N-O 3.49Å; N536-Q590 PolarHBondContact O-N 3.27Å
537	I	95.3	Very high	95.4	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.3	-172.9	-57.3	163.3	0	0	0	109	R535 Q539 G540 R541 Q542 T585 I589	R535-I537 HydrophobicContact CG-CG1 4.49Å; I537-Q539 VanDerWaalsContact C-N 3.32Å; I537-Q539 PolarHBondContact O-N 3.38Å; I537-G540 PolarHBondContact O-N 2.78Å; I537-R541 WeakPolarHBondContact O-CB 3.33Å; I537-R541 PolarHBondContact O-N 3.43Å; I537-R541 VanDerWaalsContact O-N 3.08Å; I537-Q542 HydrophobicContact CB-CB 4.3Å; I537-Q542 HydrophobicContact CD1-CB 4.19Å; I537-Q542 HydrophobicContact CD1-CG 4.31Å; I537-Q542 PolarHBondContact N-O 3.2Å; I537-Q542 PolarHBondContact O-N 2.75Å; I537-T585 WeakPolarHBondContact CG2-O 3.29Å; I537-I589 HydrophobicContact CG1-CG2 4.11Å
538	D	93	Very high	95.5	Very high	40 Å²	40	56.9 Å²	56.9	21%	0.214	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	53.7	178	-61.7	-37	0	0	0	112.2	G540 R541 S587 Y588	D538-G540 PolarHBondContact O-N 3.25Å; D538-R541 HydrophobicContact CB-CB 4.05Å; D538-R541 PolarHBondContact O-N 3.47Å; D538-S587 PolarHBondContact OD1-N 2.8Å; D538-S587 PolarHBondContact OD1-OG 3.3Å; D538-Y588 PolarHBondContact N-O 2.97Å; D538-Y588 PolarHBondContact OD1-N 2.89Å
539	Q	88.2	Confident	95.3	Very high	165 Å²	165	60 Å²	60	77%	0.771	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	46.4	174.6	-57.7	179.9	-3.3	0	0	114.4	I537 Y588	I537-Q539 VanDerWaalsContact C-N 3.32Å; I537-Q539 PolarHBondContact O-N 3.38Å; Q539-Y588 HydrophobicContact CG-CD1 4.48Å
540	G	89.5	Confident	95.1	Very high	40 Å²	40	60 Å²	60	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	0.7	172.8	0	0	0	0	0	114.3	N536 I537 D538 Q542	N536-G540 WeakPolarHBondContact OD1-CA 3.47Å; N536-G540 PolarHBondContact OD1-N 2.74Å; I537-G540 PolarHBondContact O-N 2.78Å; D538-G540 PolarHBondContact O-N 3.25Å; G540-Q542 PolarHBondContact O-N 2.77Å
541	R	92.3	Very high	94.9	Very high	208 Å²	208	60.7 Å²	60.7	79%	0.785	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-38.8	175.5	-168.2	-179.6	-167.4	-170.3	4	111.9	I537 D538	I537-R541 WeakPolarHBondContact O-CB 3.33Å; I537-R541 PolarHBondContact O-N 3.43Å; I537-R541 VanDerWaalsContact O-N 3.08Å; D538-R541 HydrophobicContact CB-CB 4.05Å; D538-R541 PolarHBondContact O-N 3.47Å
542	Q	93.2	Very high	94.7	Very high	93 Å²	93	63.3 Å²	63.3	44%	0.435	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.7	171.3	-175	174.9	52.1	0	0	109.7	I537 G540 I544	I537-Q542 HydrophobicContact CB-CB 4.3Å; I537-Q542 HydrophobicContact CD1-CB 4.19Å; I537-Q542 HydrophobicContact CD1-CG 4.31Å; I537-Q542 PolarHBondContact N-O 3.2Å; I537-Q542 PolarHBondContact O-N 2.75Å; G540-Q542 PolarHBondContact O-N 2.77Å; Q542-I544 HydrophobicContact CG-CG1 4.22Å
543	I	96.4	Very high	94.6	Very high	81 Å²	81	61.8 Å²	61.8	42%	0.415	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.5	176.6	-57.7	175.3	0	0	0	108.2	I534 R535 N536 R545	I534-I543 HydrophobicContact CG2-CG2 3.92Å; R535-I543 CarbonylContact O-C 3.5Å; R535-I543 WeakPolarHBondContact O-CA 3.09Å; N536-I543 HydrophobicContact CB-CG1 4.47Å; I543-R545 HydrophobicContact CG2-CG 4.26Å
544	I	97.3	Very high	94.5	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.082	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	177.1	-55.7	178.1	0	0	0	107.9	I534 R535 Q542 Y580 W583	I534-I544 WeakPolarHBondContact CA-O 3.4Å; R535-I544 PolarHBondContact N-O 2.79Å; R535-I544 PolarHBondContact O-N 2.83Å; Q542-I544 HydrophobicContact CG-CG1 4.22Å; I544-Y580 HydrophobicContact CG2-CD1 4.43Å; I544-Y580 HydrophobicContact CG2-CD2 3.67Å; I544-Y580 HydrophobicContact CG2-CE1 4.44Å; I544-Y580 HydrophobicContact CG2-CE2 3.67Å; I544-Y580 HydrophobicContact CG2-CG 4.09Å; I544-W583 HydrophobicContact CB-CE3 4.35Å; I544-W583 VanDerWaalsContact CD1-C 3.47Å; I544-W583 WeakPolarHBondContact CD1-O 3.25Å; I544-W583 HydrophobicContact CG2-CE3 3.77Å; I544-W583 HydrophobicContact CG2-CZ3 3.75Å
545	R	97.6	Very high	94.3	Very high	150 Å²	150	66.1 Å²	66.1	57%	0.566	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.2	-178.6	-60.7	-177.9	178.4	-102	-5.3	109.1	L533 I534 I543 Y580	L533-R545 CarbonylContact O-C 3.6Å; L533-R545 VanDerWaalsContact O-CA 3.31Å; L533-R545 WeakPolarHBondContact O-CA 3.16Å; I534-R545 HydrophobicContact CG1-CG 4.19Å; I534-R545 HydrophobicContact CG2-CG 4.35Å; I543-R545 HydrophobicContact CG2-CG 4.26Å; R545-Y580 PolarHBondContact O-OH 3.2Å
546	Y	97.2	Very high	94.2	Very high	19 Å²	19	71.9 Å²	71.9	8%	0.075	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.2	178.8	176.6	-101.5	0	0	0	109.7	C532 L533 F548 P549 I561 I576 A578 Y580 W583	C532-Y546 CarbonylContact C-O 3.52Å; C532-Y546 VanDerWaalsContact CA-O 3.29Å; C532-Y546 WeakPolarHBondContact CA-O 3.11Å; L533-Y546 PolarHBondContact N-O 3.47Å; L533-Y546 PolarHBondContact O-N 3.49Å; Y546-F548 HydrophobicContact CD1-CD2 4.3Å; Y546-F548 HydrophobicContact CD1-CE2 4.37Å; Y546-F548 HydrophobicContact CD1-CG 4.46Å; Y546-F548 AromaticContact CE1-CD1 3.95Å; Y546-F548 HydrophobicContact CE1-CD1 3.95Å; Y546-F548 HydrophobicContact CE1-CD2 4.28Å; Y546-F548 HydrophobicContact CE1-CE1 4.18Å; Y546-F548 HydrophobicContact CE1-CG 4Å; Y546-F548 HydrophobicContact CE1-CZ 4.46Å; Y546-P549 VanDerWaalsContact OH-CD 3.28Å; Y546-P549 WeakPolarHBondContact OH-CD 3.14Å; Y546-I561 HydrophobicContact CD1-CG2 4.37Å; Y546-I561 HydrophobicContact CE1-CG2 3.95Å; Y546-I576 WeakPolarHBondContact OH-CG2 3.49Å; Y546-A578 HydrophobicContact CD2-CB 4.1Å; Y546-A578 HydrophobicContact CE2-CB 4.04Å; Y546-Y580 HydrophobicContact CD2-CE2 4.24Å; Y546-W583 HydrophobicContact CD1-CH2 4.26Å; Y546-W583 HydrophobicContact CD2-CH2 4.47Å; Y546-W583 AromaticContact CG-CH2 3.81Å; Y546-W583 HydrophobicContact CG-CH2 3.81Å; Y546-W583 HydrophobicContact CG-CZ2 4.44Å
547	T	97.4	Very high	94.1	Very high	86 Å²	86	71 Å²	71	53%	0.528	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.1	175.3	-56.3	0	0	0	0	108.3	W531 C532	W531-T547 CarbonylContact O-C 3.56Å; W531-T547 WeakPolarHBondContact O-CA 3.46Å; C532-T547 PolarHBondContact SG-OG1 2.83Å
548	F	96.4	Very high	94.1	Very high	3 Å²	3	72.9 Å²	72.9	1%	0.013	38%	0.378	C	S	.	.			trans	-68.1	134.4	-178.5	-79.2	-92.6	0	0	0	110.8	I518 L528 G530 W531 L533 Y546 I561 I576 L593	I518-F548 HydrophobicContact CG1-CZ 4.01Å; L528-F548 HydrophobicContact CB-CB 4.07Å; L528-F548 HydrophobicContact CB-CD1 4.03Å; L528-F548 HydrophobicContact CB-CG 4.07Å; L528-F548 HydrophobicContact CD1-CD1 3.88Å; L528-F548 HydrophobicContact CD1-CE1 3.82Å; L528-F548 HydrophobicContact CD1-CZ 4.5Å; L528-F548 WeakPolarHBondContact O-CB 3.5Å; G530-F548 PolarHBondContact N-O 2.77Å; W531-F548 HydrophobicContact CB-CB 4.49Å; W531-F548 HydrophobicContact CB-CD2 3.9Å; W531-F548 WeakPolarHBondContact O-CD2 3.48Å; W531-F548 PolarHBondContact O-N 3.41Å; L533-F548 HydrophobicContact CD1-CE2 3.62Å; L533-F548 HydrophobicContact CD1-CZ 3.56Å; L533-F548 HydrophobicContact CG-CE2 3.78Å; L533-F548 HydrophobicContact CG-CZ 4.21Å; Y546-F548 HydrophobicContact CD1-CD2 4.3Å; Y546-F548 HydrophobicContact CD1-CE2 4.37Å; Y546-F548 HydrophobicContact CD1-CG 4.46Å; Y546-F548 AromaticContact CE1-CD1 3.95Å; Y546-F548 HydrophobicContact CE1-CD1 3.95Å; Y546-F548 HydrophobicContact CE1-CD2 4.28Å; Y546-F548 HydrophobicContact CE1-CE1 4.18Å; Y546-F548 HydrophobicContact CE1-CG 4Å; Y546-F548 HydrophobicContact CE1-CZ 4.46Å; F548-I561 HydrophobicContact CE1-CD1 3.74Å; F548-I561 HydrophobicContact CE1-CG1 3.62Å; F548-I561 HydrophobicContact CZ-CD1 3.7Å; F548-I561 HydrophobicContact CZ-CG1 3.9Å; F548-I576 HydrophobicContact CD1-CD1 4.12Å; F548-I576 HydrophobicContact CE1-CD1 4.29Å; F548-L593 HydrophobicContact CE2-CD1 3.92Å
549	P	91.6	Very high	94.2	Very high	65 Å²	65	71 Å²	71	42%	0.422	37%	0.368	S	S	.	.			trans	-69.1	-177.4	168.6	32.3	-35.5	0	0	0	110.2	Y546 H551	Y546-P549 VanDerWaalsContact OH-CD 3.28Å; Y546-P549 WeakPolarHBondContact OH-CD 3.14Å; P549-H551 PolarHBondContact O-N 3.39Å
550	N	91.2	Very high	94.5	Very high	129 Å²	129	65.4 Å²	65.4	69%	0.69	34%	0.341	S	S	*	.	S	Bend	trans	-65.5	102.2	174	-171.6	14.9	0	0	0	109.9	F529	F529-N550 HydrophobicContact CD2-CB 4Å
551	H	91.6	Very high	94.8	Very high	37 Å²	37	63.5 Å²	63.5	17%	0.171	32%	0.322	C	S	.	.			trans	-144.2	137.6	179.8	-172.5	87.6	0	0	0	108.7	L528 P549 N574 I576	L528-H551 WeakPolarHBondContact CB-O 3.31Å; L528-H551 PolarHBondContact N-O 3.37Å; P549-H551 PolarHBondContact O-N 3.39Å; H551-N574 PolarHBondContact CE1-O 3.38Å; H551-I576 HydrophobicContact CB-CD1 4.23Å
552	T	93.9	Very high	94.9	Very high	83 Å²	83	54.7 Å²	54.7	51%	0.509	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.2	179.8	28.4	0	0	0	0	109.6	E526	E526-T552 WeakPolarHBondContact O-CA 3.46Å
553	L	94.4	Very high	94.8	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.9	-177.1	-164.3	60.8	0	0	0	109.2	L504 I518 N520 E526 L528 S557 V559	L504-L553 HydrophobicContact CD2-CD2 4.13Å; I518-L553 HydrophobicContact CG2-CD2 4.25Å; N520-L553 HydrophobicContact CB-CB 4.35Å; N520-L553 HydrophobicContact CB-CD2 3.71Å; N520-L553 HydrophobicContact CB-CG 3.84Å; N520-L553 PolarHBondContact ND2-O 3.48Å; E526-L553 PolarHBondContact N-O 3.26Å; E526-L553 PolarHBondContact O-N 2.76Å; L528-L553 HydrophobicContact CD1-CB 4.47Å; L553-S557 VanDerWaalsContact CD1-OG 3.25Å; L553-S557 WeakPolarHBondContact CD1-OG 3.34Å; L553-S557 WeakPolarHBondContact CG-OG 3.29Å; L553-V559 HydrophobicContact CD1-CB 3.91Å; L553-V559 HydrophobicContact CD1-CG1 3.96Å; L553-V559 HydrophobicContact CD2-CG1 4.02Å
554	S	95.7	Very high	94.1	Very high	71 Å²	71	48 Å²	48	50%	0.497	26%	0.263	S	S	.	.			trans	-62	158.4	179.5	-58.2	0	0	0	0	111.9	N520 H556 S557	N520-S554 PolarHBondContact ND2-O 2.78Å; S554-H556 PolarHBondContact O-N 2.8Å; S554-S557 PolarHBondContact N-OG 2.79Å; S554-S557 VanDerWaalsContact N-OG 3.11Å; S554-S557 WeakPolarHBondContact O-CB 3.24Å; S554-S557 PolarHBondContact O-N 3.4Å; S554-S557 PolarHBondContact O-OG 3.38Å
555	P	95.8	Very high	92.9	Very high	51 Å²	51	55.1 Å²	55.1	33%	0.331	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	136.4	174.5	-22.9	30	0	0	0	111.9	G522 N523 S557	G522-P555 WeakPolarHBondContact O-CA 3.33Å; G522-P555 WeakPolarHBondContact O-CB 3.3Å; N523-P555 WeakPolarHBondContact O-CG 3.4Å; P555-S557 PolarHBondContact O-N 3.41Å; P555-S557 VanDerWaalsContact O-N 3.14Å
556	H	94.3	Very high	91.3	Very high	121 Å²	121	50.1 Å²	50.1	56%	0.56	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	21.8	177.4	-49.2	97.5	0	0	0	115.4	N520 G522 N523 S554	N520-H556 WeakPolarHBondContact O-CA 3.37Å; N520-H556 PolarHBondContact O-N 3.29Å; G522-H556 PolarHBondContact O-N 2.76Å; N523-H556 PolarHBondContact OD1-CE1 3.49Å; N523-H556 PolarHBondContact OD1-NE2 3.48Å; S554-H556 PolarHBondContact O-N 2.8Å
557	S	94.6	Very high	89.5	Confident	27 Å²	27	56 Å²	56	19%	0.189	32%	0.319	C	S	.	.			trans	-107.6	158.6	178.5	71.2	0	0	0	0	112.4	N520 L553 S554 P555	N520-S557 PolarHBondContact N-O 2.76Å; L553-S557 VanDerWaalsContact CD1-OG 3.25Å; L553-S557 WeakPolarHBondContact CD1-OG 3.34Å; L553-S557 WeakPolarHBondContact CG-OG 3.29Å; S554-S557 PolarHBondContact N-OG 2.79Å; S554-S557 VanDerWaalsContact N-OG 3.11Å; S554-S557 WeakPolarHBondContact O-CB 3.24Å; S554-S557 PolarHBondContact O-N 3.4Å; S554-S557 PolarHBondContact O-OG 3.38Å; P555-S557 PolarHBondContact O-N 3.41Å; P555-S557 VanDerWaalsContact O-N 3.14Å
558	T	94.8	Very high	87.8	Confident	43 Å²	43	54.8 Å²	54.8	26%	0.264	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	155.5	176.2	65.1	0	0	0	0	112.3	E517 I518 L519	E517-T558 HydrophobicContact CG-CG2 4.47Å; E517-T558 PolarHBondContact OE1-OG1 3.42Å; I518-T558 CarbonylContact O-C 3.56Å; I518-T558 WeakPolarHBondContact O-CA 3.3Å; I518-T558 WeakPolarHBondContact O-CB 3.25Å; L519-T558 HydrophobicContact CB-CG2 3.96Å; L519-T558 HydrophobicContact CD1-CG2 3.51Å; L519-T558 HydrophobicContact CG-CG2 4.3Å
559	V	94.8	Very high	86.1	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.7	169.7	59.3	0	0	0	0	109.6	E517 I518 L528 L553 N574 I576	E517-V559 WeakPolarHBondContact CA-O 3.36Å; I518-V559 HydrophobicContact CB-CG1 4Å; I518-V559 PolarHBondContact N-O 3.47Å; I518-V559 PolarHBondContact O-N 2.77Å; L528-V559 HydrophobicContact CD1-CG1 3.89Å; L553-V559 HydrophobicContact CD1-CB 3.91Å; L553-V559 HydrophobicContact CD1-CG1 3.96Å; L553-V559 HydrophobicContact CD2-CG1 4.02Å; V559-N574 VanDerWaalsContact CG2-O 3.28Å; V559-N574 WeakPolarHBondContact CG2-O 3.49Å; V559-I576 HydrophobicContact CG2-CD1 3.83Å; V559-I576 HydrophobicContact CG2-CG1 3.84Å
560	K	95	Very high	84.7	Confident	49 Å²	49	70.2 Å²	70.2	21%	0.213	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.4	171.3	-66.2	-175.1	178	-173.8	0	110.7	Y515 E517 W562 D575 I576	Y515-K560 HydrophobicContact CD2-CD 4Å; Y515-K560 HydrophobicContact CD2-CG 4.22Å; Y515-K560 HydrophobicContact CE2-CD 4.16Å; Y515-K560 HydrophobicContact CG-CD 4.22Å; E517-K560 HydrophobicContact CB-CG 3.98Å; E517-K560 VanDerWaalsContact CD-CE 3.49Å; E517-K560 HydrophobicContact CG-CG 3.83Å; E517-K560 WeakPolarHBondContact OE1-CE 3.34Å; E517-K560 IonicContact OE1-NZ 2.68Å; K560-W562 HydrophobicContact CD-CZ2 4.07Å; K560-D575 WeakPolarHBondContact CB-OD1 3.42Å; K560-D575 PolarHBondContact N-OD1 2.73Å; K560-D575 VanDerWaalsContact N-OD1 3.16Å; K560-D575 WeakPolarHBondContact O-CA 3.24Å; K560-I576 PolarHBondContact O-N 2.85Å
561	I	95.6	Very high	83.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	100.7	174.4	-48.7	83.3	0	0	0	107.4	Y515 I516 I518 L533 Y546 F548 I576 A578 W583	Y515-I561 VanDerWaalsContact CA-O 3.26Å; Y515-I561 WeakPolarHBondContact CA-O 3.41Å; I516-I561 PolarHBondContact N-O 2.88Å; I516-I561 VanDerWaalsContact N-O 3.08Å; I516-I561 VanDerWaalsContact O-CD1 3.25Å; I516-I561 WeakPolarHBondContact O-CD1 3.47Å; I516-I561 PolarHBondContact O-N 2.98Å; I518-I561 HydrophobicContact CG1-CD1 3.8Å; L533-I561 HydrophobicContact CD1-CD1 4.29Å; Y546-I561 HydrophobicContact CD1-CG2 4.37Å; Y546-I561 HydrophobicContact CE1-CG2 3.95Å; F548-I561 HydrophobicContact CE1-CD1 3.74Å; F548-I561 HydrophobicContact CE1-CG1 3.62Å; F548-I561 HydrophobicContact CZ-CD1 3.7Å; F548-I561 HydrophobicContact CZ-CG1 3.9Å; I561-I576 CarbonylContact C-O 3.53Å; I561-I576 WeakPolarHBondContact CA-O 3.3Å; I561-I576 HydrophobicContact CG2-CB 4.42Å; I561-A578 HydrophobicContact CG2-CB 3.94Å; I561-W583 HydrophobicContact CB-CZ2 4.15Å; I561-W583 HydrophobicContact CG2-CZ2 3.66Å; I561-W583 PolarHBondContact O-NE1 2.84Å
562	W	94.3	Very high	82.6	Confident	22 Å²	22	69 Å²	69	8%	0.083	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	141	-176.6	-69.4	89.7	0	0	0	111.5	S514 Y515 K560 P566 D575 I576 A578	S514-W562 WeakPolarHBondContact O-CA 3.37Å; Y515-W562 HydrophobicContact CD1-CE3 4.14Å; Y515-W562 AromaticContact CD1-CH2 3.56Å; Y515-W562 HydrophobicContact CD1-CH2 3.56Å; Y515-W562 HydrophobicContact CD1-CZ2 4.01Å; Y515-W562 AromaticContact CD1-CZ3 3.64Å; Y515-W562 HydrophobicContact CD1-CZ3 3.64Å; Y515-W562 HydrophobicContact CE1-CH2 4.16Å; Y515-W562 HydrophobicContact CG-CE3 4.49Å; Y515-W562 HydrophobicContact CG-CH2 4.42Å; Y515-W562 HydrophobicContact CG-CZ3 4.41Å; K560-W562 HydrophobicContact CD-CZ2 4.07Å; W562-P566 HydrophobicContact CD2-CB 3.96Å; W562-P566 HydrophobicContact CE3-CB 4.32Å; W562-P566 HydrophobicContact CG-CB 4.09Å; W562-D575 PolarHBondContact NE1-OD2 2.93Å; W562-I576 PolarHBondContact N-O 2.88Å; W562-A578 WeakPolarHBondContact O-CB 3.21Å; W562-A578 PolarHBondContact O-N 3.49Å
563	A	91.7	Very high	81.8	Confident	14 Å²	14	72.6 Å²	72.6	12%	0.116	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	111.4	166.7	0	0	0	0	0	109.2	S514 Y580 W583	S514-A563 PolarHBondContact O-N 3.32Å; A563-Y580 CarbonylContact C-O 3.58Å; A563-Y580 WeakPolarHBondContact CA-O 3.32Å; A563-Y580 WeakPolarHBondContact CB-O 3.39Å; A563-W583 HydrophobicContact CB-CG 4.33Å
564	G	81.8	Confident	81.1	Confident	20 Å²	20	76.4 Å²	76.4	21%	0.206	41%	0.405	C	S	.	.	S	Bend	trans	68.8	-174.5	-173	0	0	0	0	0	113	P566 E577 Y580	G564-P566 WeakPolarHBondContact O-CD 3.32Å; G564-E577 VanDerWaalsContact C-OE1 3.26Å; G564-Y580 PolarHBondContact N-O 3.29Å
565	K	71.2	Confident	80.8	Confident	166 Å²	166	74.6 Å²	74.6	72%	0.722	39%	0.39	S	S	*	.	S	Bend	trans	-65.2	124.5	-176	-71.7	-172.4	176.2	-178.9	0	111	T567 E577	K565-T567 PolarHBondContact O-N 3.29Å; K565-E577 WeakPolarHBondContact CG-OE1 3.29Å; K565-E577 PolarHBondContact N-OE1 3.29Å; K565-E577 VanDerWaalsContact N-OE1 3.09Å
566	P	64.4	Low	80.7	Confident	44 Å²	44	73.2 Å²	73.2	29%	0.286	38%	0.38	S	S	.	.			trans	-59.6	114.9	174.5	21.7	-29.4	0	0	0	109.1	W562 G564 T568	W562-P566 HydrophobicContact CD2-CB 3.96Å; W562-P566 HydrophobicContact CE3-CB 4.32Å; W562-P566 HydrophobicContact CG-CB 4.09Å; G564-P566 WeakPolarHBondContact O-CD 3.32Å; P566-T568 PolarHBondContact O-N 2.81Å
567	T	59.7	Low	80.5	Confident	144 Å²	144	72.2 Å²	72.2	88%	0.883	38%	0.376	S	S	*	.			trans	-80.1	-7.4	177	35.6	0	0	0	0	112.5	K565	K565-T567 PolarHBondContact O-N 3.29Å
568	T	60.9	Low	80.4	Confident	60 Å²	60	71 Å²	71	37%	0.368	37%	0.367	S	S	.	.	S	Bend	trans	-95.1	144	-174.2	63.3	0	0	0	0	111.5	P566 N570	P566-T568 PolarHBondContact O-N 2.81Å; T568-N570 PolarHBondContact O-N 2.85Å
569	R	60.2	Low	80.3	Confident	251 Å²	251	74 Å²	74	95%	0.947	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	0.3	171.5	-69.9	-173.9	176.4	-174.2	-0.9	113.9
570	N	62.9	Low	80.2	Confident	140 Å²	140	77.9 Å²	77.9	75%	0.749	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	10.6	-172.5	-67.1	-2.2	0	0	0	113.2	T568 N572	T568-N570 PolarHBondContact O-N 2.85Å; N570-N572 PolarHBondContact O-N 3.19Å
571	S	64.1	Low	80	Confident	60 Å²	60	81 Å²	81	42%	0.42	43%	0.43	S	S	.	.			trans	-63.4	126.5	173.2	55	0	0	0	0	110.2
572	N	73.8	Confident	79.9	Confident	81 Å²	81	83.5 Å²	83.5	43%	0.433	45%	0.446	S	S	.	.			trans	-76.5	153.4	171.2	-165.3	-13.7	0	0	0	109.3	N570 N574 D575	N570-N572 PolarHBondContact O-N 3.19Å; N572-N574 PolarHBondContact O-N 2.76Å; N572-N574 VanDerWaalsContact O-N 3.16Å; N572-D575 PolarHBondContact N-OD2 2.83Å; N572-D575 WeakPolarHBondContact O-CB 3.46Å; N572-D575 PolarHBondContact O-N 3.4Å; N572-D575 VanDerWaalsContact O-N 3.1Å
573	I	77.5	Confident	79.9	Confident	159 Å²	159	82.4 Å²	82.4	82%	0.815	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.7	177.1	-162.4	157.9	0	0	0	112.7
574	N	80.6	Confident	80	Confident	81 Å²	81	81.9 Å²	81.9	43%	0.433	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-1.9	179.2	-63.5	-22	0	0	0	113.7	H551 V559 N572	H551-N574 PolarHBondContact CE1-O 3.38Å; V559-N574 VanDerWaalsContact CG2-O 3.28Å; V559-N574 WeakPolarHBondContact CG2-O 3.49Å; N572-N574 PolarHBondContact O-N 2.76Å; N572-N574 VanDerWaalsContact O-N 3.16Å
575	D	89.5	Confident	80.4	Confident	34 Å²	34	84.9 Å²	84.9	18%	0.182	45%	0.452	C	S	.	.			trans	-68.8	149.1	-178.7	-75.5	-9.2	0	0	0	111.8	K560 W562 N572	K560-D575 WeakPolarHBondContact CB-OD1 3.42Å; K560-D575 PolarHBondContact N-OD1 2.73Å; K560-D575 VanDerWaalsContact N-OD1 3.16Å; K560-D575 WeakPolarHBondContact O-CA 3.24Å; W562-D575 PolarHBondContact NE1-OD2 2.93Å; N572-D575 PolarHBondContact N-OD2 2.83Å; N572-D575 WeakPolarHBondContact O-CB 3.46Å; N572-D575 PolarHBondContact O-N 3.4Å; N572-D575 VanDerWaalsContact O-N 3.1Å
576	I	92	Very high	81.4	Confident	21 Å²	21	77.8 Å²	77.8	11%	0.108	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.8	-175.9	-55	172	0	0	0	109.4	Y546 F548 H551 V559 K560 I561 W562	Y546-I576 WeakPolarHBondContact OH-CG2 3.49Å; F548-I576 HydrophobicContact CD1-CD1 4.12Å; F548-I576 HydrophobicContact CE1-CD1 4.29Å; H551-I576 HydrophobicContact CB-CD1 4.23Å; V559-I576 HydrophobicContact CG2-CD1 3.83Å; V559-I576 HydrophobicContact CG2-CG1 3.84Å; K560-I576 PolarHBondContact O-N 2.85Å; I561-I576 CarbonylContact C-O 3.53Å; I561-I576 WeakPolarHBondContact CA-O 3.3Å; I561-I576 HydrophobicContact CG2-CB 4.42Å; W562-I576 PolarHBondContact N-O 2.88Å
577	E	91.4	Very high	82.6	Confident	101 Å²	101	79.1 Å²	79.1	47%	0.472	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.2	172.7	-173.7	172.6	180	0	0	110.1	G564 K565	G564-E577 VanDerWaalsContact C-OE1 3.26Å; K565-E577 WeakPolarHBondContact CG-OE1 3.29Å; K565-E577 PolarHBondContact N-OE1 3.29Å; K565-E577 VanDerWaalsContact N-OE1 3.09Å
578	A	92.4	Very high	84.2	Confident	2 Å²	2	75.5 Å²	75.5	2%	0.017	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	151	171.2	0	0	0	0	0	110.6	Y546 I561 W562 Y580 W583	Y546-A578 HydrophobicContact CD2-CB 4.1Å; Y546-A578 HydrophobicContact CE2-CB 4.04Å; I561-A578 HydrophobicContact CG2-CB 3.94Å; W562-A578 WeakPolarHBondContact O-CB 3.21Å; W562-A578 PolarHBondContact O-N 3.49Å; A578-Y580 HydrophobicContact CB-CD2 4.01Å; A578-Y580 PolarHBondContact O-N 3.35Å; A578-W583 HydrophobicContact CB-CZ2 3.83Å
579	P	92.4	Very high	85.9	Confident	105 Å²	105	72.6 Å²	72.6	68%	0.682	39%	0.389	S	S	*	.	S	Bend	trans	-73.6	10.2	-178.1	32.6	-37.6	0	0	0	114
580	Y	92.9	Very high	87.6	Confident	82 Å²	82	63.3 Å²	63.3	32%	0.322	36%	0.357	S	S	.	.	S	Bend	trans	-105	143.2	-177	-49.2	-60.3	0	0	0	110.2	I544 R545 Y546 A563 G564 A578 T582 W583	I544-Y580 HydrophobicContact CG2-CD1 4.43Å; I544-Y580 HydrophobicContact CG2-CD2 3.67Å; I544-Y580 HydrophobicContact CG2-CE1 4.44Å; I544-Y580 HydrophobicContact CG2-CE2 3.67Å; I544-Y580 HydrophobicContact CG2-CG 4.09Å; R545-Y580 PolarHBondContact O-OH 3.2Å; Y546-Y580 HydrophobicContact CD2-CE2 4.24Å; A563-Y580 CarbonylContact C-O 3.58Å; A563-Y580 WeakPolarHBondContact CA-O 3.32Å; A563-Y580 WeakPolarHBondContact CB-O 3.39Å; G564-Y580 PolarHBondContact N-O 3.29Å; A578-Y580 HydrophobicContact CB-CD2 4.01Å; A578-Y580 PolarHBondContact O-N 3.35Å; Y580-T582 VanDerWaalsContact C-N 3.28Å; Y580-T582 PolarHBondContact O-N 3.47Å; Y580-W583 HydrophobicContact CD2-CZ3 4.45Å
581	S	91	Very high	89.3	Confident	114 Å²	114	56.7 Å²	56.7	80%	0.797	32%	0.321	S	S	*	.	S	Bend	trans	-73.5	-19.8	173.6	54.7	0	0	0	0	113.4
582	T	93.2	Very high	90.9	Very high	52 Å²	52	54 Å²	54	32%	0.319	30%	0.302	S	S	.	.			trans	-154.9	150.3	174	-178.2	0	0	0	0	110.7	G513 Y580 G584	G513-T582 PolarHBondContact O-OG1 3.01Å; Y580-T582 VanDerWaalsContact C-N 3.28Å; Y580-T582 PolarHBondContact O-N 3.47Å; T582-G584 PolarHBondContact O-N 2.76Å; T582-G584 PolarHBondContact OG1-N 3.46Å
583	W	95.3	Very high	92.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.			trans	-79	4.5	164.5	-74.1	109.7	0	0	0	113.4	G513 I516 L533 R535 I544 Y546 I561 A563 A578 Y580	G513-W583 WeakPolarHBondContact O-CB 3.24Å; G513-W583 PolarHBondContact O-N 3.2Å; I516-W583 HydrophobicContact CD1-CB 4.46Å; I516-W583 HydrophobicContact CD1-CD2 3.46Å; I516-W583 VanDerWaalsContact CD1-CD2 3.46Å; I516-W583 HydrophobicContact CD1-CE3 3.56Å; I516-W583 HydrophobicContact CD1-CG 3.89Å; I516-W583 HydrophobicContact CD1-CH2 4.1Å; I516-W583 HydrophobicContact CD1-CZ2 4.08Å; I516-W583 HydrophobicContact CD1-CZ3 3.88Å; I516-W583 HydrophobicContact CG1-CD2 4.03Å; I516-W583 HydrophobicContact CG1-CG 4.01Å; L533-W583 HydrophobicContact CD1-CH2 4.48Å; R535-W583 VanDerWaalsContact CD-O 3.3Å; R535-W583 WeakPolarHBondContact CD-O 3.49Å; R535-W583 PolarHBondContact NE-O 2.95Å; I544-W583 HydrophobicContact CB-CE3 4.35Å; I544-W583 VanDerWaalsContact CD1-C 3.47Å; I544-W583 WeakPolarHBondContact CD1-O 3.25Å; I544-W583 HydrophobicContact CG2-CE3 3.77Å; I544-W583 HydrophobicContact CG2-CZ3 3.75Å; Y546-W583 HydrophobicContact CD1-CH2 4.26Å; Y546-W583 HydrophobicContact CD2-CH2 4.47Å; Y546-W583 AromaticContact CG-CH2 3.81Å; Y546-W583 HydrophobicContact CG-CH2 3.81Å; Y546-W583 HydrophobicContact CG-CZ2 4.44Å; I561-W583 HydrophobicContact CB-CZ2 4.15Å; I561-W583 HydrophobicContact CG2-CZ2 3.66Å; I561-W583 PolarHBondContact O-NE1 2.84Å; A563-W583 HydrophobicContact CB-CG 4.33Å; A578-W583 HydrophobicContact CB-CZ2 3.83Å; Y580-W583 HydrophobicContact CD2-CZ3 4.45Å
584	G	92.2	Very high	93.1	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.031	25%	0.253	C	S	.	.			trans	76.6	156.4	178.4	0	0	0	0	0	113.5	T582	T582-G584 PolarHBondContact O-N 2.76Å; T582-G584 PolarHBondContact OG1-N 3.46Å
585	T	91.5	Very high	93.8	Very high	82 Å²	82	42 Å²	42	50%	0.503	24%	0.236	S	C	.	.			trans	-129.8	149.5	-176.7	59.7	0	0	0	0	109.1	K511 N512 I537	K511-T585 WeakPolarHBondContact O-CG2 3.5Å; N512-T585 WeakPolarHBondContact O-CG2 3.26Å; I537-T585 WeakPolarHBondContact CG2-O 3.29Å
586	G	91.5	Very high	94	Very high	17 Å²	17	44 Å²	44	18%	0.175	25%	0.251	C	S	.	.			trans	-176.4	176.4	-176.3	0	0	0	0	0	111.8	L608	G586-L608 WeakPolarHBondContact O-CD1 3.44Å
587	S	90.5	Very high	94.1	Very high	72 Å²	72	49.3 Å²	49.3	50%	0.503	28%	0.279	S	S	.	.	S	Bend	trans	-81.6	-35.4	-179.4	61.8	0	0	0	0	112.3	D538 K607 L608	D538-S587 PolarHBondContact OD1-N 2.8Å; D538-S587 PolarHBondContact OD1-OG 3.3Å; S587-K607 WeakPolarHBondContact O-CA 3.34Å; S587-L608 PolarHBondContact O-N 2.77Å
588	Y	93.5	Very high	94.2	Very high	68 Å²	68	47 Å²	47	27%	0.267	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.3	175.4	-177.3	-82.6	0	0	0	109.1	D538 Q539 Q590 I605 K607	D538-Y588 PolarHBondContact N-O 2.97Å; D538-Y588 PolarHBondContact OD1-N 2.89Å; Q539-Y588 HydrophobicContact CG-CD1 4.48Å; Y588-Q590 HydrophobicContact CE1-CB 4.33Å; Y588-I605 HydrophobicContact CE2-CG2 3.88Å; Y588-K607 HydrophobicContact CD2-CD 4.48Å; Y588-K607 HydrophobicContact CD2-CG 3.82Å; Y588-K607 HydrophobicContact CE2-CD 4.4Å; Y588-K607 HydrophobicContact CE2-CG 4.09Å
589	I	95.7	Very high	94.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.9	-177.3	-47.1	173.4	0	0	0	109.4	R535 I537 I605 Q606	R535-I589 HydrophobicContact CG-CG2 3.86Å; R535-I589 VanDerWaalsContact CZ-CG2 3.46Å; I537-I589 HydrophobicContact CG1-CG2 4.11Å; I589-I605 CarbonylContact O-C 3.5Å; I589-I605 VanDerWaalsContact O-CA 3.29Å; I589-I605 WeakPolarHBondContact O-CA 3.34Å; I589-Q606 HydrophobicContact CB-CB 4.36Å; I589-Q606 PolarHBondContact N-O 2.88Å; I589-Q606 PolarHBondContact O-N 2.95Å
590	Q	96.6	Very high	94.5	Very high	56 Å²	56	49.8 Å²	49.8	26%	0.262	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.4	172.9	177.6	178.1	-10.7	0	0	109.4	R535 N536 Y588 T603 I605	R535-Q590 CarbonylContact C-O 3.52Å; R535-Q590 WeakPolarHBondContact CA-O 3.44Å; N536-Q590 PolarHBondContact N-O 3.49Å; N536-Q590 PolarHBondContact O-N 3.27Å; Y588-Q590 HydrophobicContact CE1-CB 4.33Å; Q590-T603 HydrophobicContact CG-CG2 3.92Å; Q590-I605 HydrophobicContact CB-CG1 4.38Å; Q590-I605 HydrophobicContact CG-CG1 4.14Å
591	T	97.9	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.7	176.9	-51.5	0	0	0	0	108.9	I506 I516 L533 I534 R535 T603 H604	I506-T591 HydrophobicContact CD1-CG2 4.04Å; I506-T591 VanDerWaalsContact CD1-O 3.24Å; I506-T591 WeakPolarHBondContact CD1-O 3.31Å; I516-T591 HydrophobicContact CD1-CG2 3.97Å; I516-T591 HydrophobicContact CG2-CG2 4.46Å; L533-T591 HydrophobicContact CD2-CG2 3.82Å; I534-T591 WeakPolarHBondContact O-CA 3.24Å; R535-T591 HydrophobicContact CB-CG2 4.38Å; R535-T591 PolarHBondContact NH1-OG1 2.81Å; T591-T603 CarbonylContact O-C 3.6Å; T591-T603 VanDerWaalsContact O-CA 3.28Å; T591-T603 WeakPolarHBondContact O-CA 3.34Å; T591-H604 PolarHBondContact N-O 2.75Å; T591-H604 PolarHBondContact O-N 3.39Å
592	S	98.2	Very high	95	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.028	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.4	-177.3	-68.3	0	0	0	0	110.3	L533 I534 Y594 E600 A602	L533-S592 WeakPolarHBondContact CA-O 3.36Å; I534-S592 PolarHBondContact N-O 3.39Å; I534-S592 PolarHBondContact O-N 2.77Å; S592-Y594 VanDerWaalsContact CB-CE2 3.42Å; S592-E600 WeakPolarHBondContact CB-OE1 3.35Å; S592-E600 PolarHBondContact OG-OE1 3.43Å; S592-A602 CarbonylContact C-O 3.51Å; S592-A602 VanDerWaalsContact CA-O 3.29Å; S592-A602 WeakPolarHBondContact CA-O 3.06Å
593	L	98.3	Very high	95.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.7	177.2	179.9	68.3	0	0	0	108.9	L504 I506 I518 W531 C532 L533 F548 K601 A602	L504-L593 HydrophobicContact CB-CD2 4.04Å; I506-L593 HydrophobicContact CD1-CB 4.06Å; I506-L593 HydrophobicContact CG1-CB 4.19Å; I518-L593 HydrophobicContact CD1-CD2 4.34Å; W531-L593 HydrophobicContact CB-CD1 4.46Å; W531-L593 HydrophobicContact CE3-CD1 3.99Å; W531-L593 HydrophobicContact CE3-CD2 3.94Å; W531-L593 HydrophobicContact CE3-CG 3.72Å; W531-L593 HydrophobicContact CZ3-CD2 3.98Å; W531-L593 HydrophobicContact CZ3-CG 4.02Å; C532-L593 WeakPolarHBondContact O-CA 3.2Å; L533-L593 HydrophobicContact CD2-CB 4.3Å; L533-L593 HydrophobicContact CD2-CD1 4.13Å; L533-L593 HydrophobicContact CG-CD1 4Å; F548-L593 HydrophobicContact CE2-CD1 3.92Å; L593-K601 PolarHBondContact O-N 2.91Å; L593-A602 HydrophobicContact CB-CB 4.11Å; L593-A602 HydrophobicContact CD2-CB 4.47Å; L593-A602 PolarHBondContact N-O 2.85Å; L593-A602 PolarHBondContact O-N 3.21Å
594	Y	98.2	Very high	95.3	Very high	56 Å²	56	42.2 Å²	42.2	22%	0.22	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.6	-179.7	-64.5	-98.4	0	0	0	110.1	W531 C532 I534 S592 G598 L599 E600	W531-Y594 WeakPolarHBondContact CA-O 3.19Å; W531-Y594 VanDerWaalsContact CE3-O 3.26Å; C532-Y594 PolarHBondContact N-O 2.85Å; C532-Y594 PolarHBondContact O-N 2.84Å; I534-Y594 HydrophobicContact CB-CD2 4.49Å; I534-Y594 HydrophobicContact CB-CE2 4.09Å; I534-Y594 HydrophobicContact CD1-CD2 3.72Å; I534-Y594 HydrophobicContact CD1-CE2 3.54Å; I534-Y594 HydrophobicContact CG1-CD2 4.06Å; I534-Y594 HydrophobicContact CG1-CE2 4.03Å; S592-Y594 VanDerWaalsContact CB-CE2 3.42Å; Y594-G598 WeakPolarHBondContact CD1-O 3.34Å; Y594-L599 VanDerWaalsContact CA-O 3.31Å; Y594-L599 WeakPolarHBondContact CA-O 3.29Å; Y594-E600 HydrophobicContact CD1-CB 3.92Å; Y594-E600 HydrophobicContact CE1-CB 3.54Å; Y594-E600 HydrophobicContact CE1-CG 4.09Å
595	N	95	Very high	95.4	Very high	14 Å²	14	42.9 Å²	42.9	8%	0.075	24%	0.243	C	C	.	.			trans	-74.5	172.7	171.3	79.9	-22.6	0	0	0	111.1	W531 D597 G598 L599 K601	W531-N595 HydrophobicContact CD2-CB 4.24Å; W531-N595 HydrophobicContact CE3-CB 4.09Å; W531-N595 HydrophobicContact CH2-CB 3.74Å; W531-N595 HydrophobicContact CZ2-CB 3.87Å; W531-N595 HydrophobicContact CZ3-CB 3.86Å; N595-D597 PolarHBondContact ND2-OD2 3.44Å; N595-D597 PolarHBondContact O-N 3.38Å; N595-D597 VanDerWaalsContact O-N 3.14Å; N595-D597 PolarHBondContact OD1-N 3.31Å; N595-G598 PolarHBondContact O-N 3.35Å; N595-G598 PolarHBondContact OD1-N 3.41Å; N595-L599 PolarHBondContact N-O 3.4Å; N595-L599 WeakPolarHBondContact OD1-CA 3.27Å; N595-L599 WeakPolarHBondContact OD1-CB 3.31Å; N595-L599 PolarHBondContact OD1-N 3.22Å; N595-L599 PolarHBondContact OD1-O 2.77Å; N595-K601 HydrophobicContact CB-CG 3.94Å; N595-K601 WeakPolarHBondContact ND2-CE 3.43Å
596	P	95	Very high	95.5	Very high	76 Å²	76	39.6 Å²	39.6	49%	0.494	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25	179.2	-27.5	37.1	0	0	0	114.7	F529 G598	F529-P596 WeakPolarHBondContact O-CG 3.29Å; P596-G598 PolarHBondContact O-N 3.35Å
597	D	94.1	Very high	95.5	Very high	131 Å²	131	42.3 Å²	42.3	70%	0.701	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.4	175.8	-47.9	-53.6	0	0	0	113.3	N595 L599	N595-D597 PolarHBondContact ND2-OD2 3.44Å; N595-D597 PolarHBondContact O-N 3.38Å; N595-D597 VanDerWaalsContact O-N 3.14Å; N595-D597 PolarHBondContact OD1-N 3.31Å; D597-L599 HydrophobicContact CB-CG 4.46Å
598	G	92.3	Very high	94.9	Very high	52 Å²	52	41.4 Å²	41.4	54%	0.536	22%	0.218	S	C	.	.	S	Bend	trans	79.7	15	-178.3	0	0	0	0	0	114.6	Y594 N595 P596	Y594-G598 WeakPolarHBondContact CD1-O 3.34Å; N595-G598 PolarHBondContact O-N 3.35Å; N595-G598 PolarHBondContact OD1-N 3.41Å; P596-G598 PolarHBondContact O-N 3.35Å
599	L	95.3	Very high	93.3	Very high	100 Å²	100	48.4 Å²	48.4	52%	0.524	25%	0.253	S	S	.	.			trans	-88.6	131.2	175.8	-60.8	174.9	0	0	0	110.8	Y594 N595 D597 K601	Y594-L599 VanDerWaalsContact CA-O 3.31Å; Y594-L599 WeakPolarHBondContact CA-O 3.29Å; N595-L599 PolarHBondContact N-O 3.4Å; N595-L599 WeakPolarHBondContact OD1-CA 3.27Å; N595-L599 WeakPolarHBondContact OD1-CB 3.31Å; N595-L599 PolarHBondContact OD1-N 3.22Å; N595-L599 PolarHBondContact OD1-O 2.77Å; D597-L599 HydrophobicContact CB-CG 4.46Å; L599-K601 PolarHBondContact O-N 2.82Å
600	E	96.5	Very high	93.2	Very high	67 Å²	67	50.8 Å²	50.8	31%	0.313	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	123.2	175	-167.5	172.4	-170.4	0	0	110.5	S592 Y594 T603	S592-E600 WeakPolarHBondContact CB-OE1 3.35Å; S592-E600 PolarHBondContact OG-OE1 3.43Å; Y594-E600 HydrophobicContact CD1-CB 3.92Å; Y594-E600 HydrophobicContact CE1-CB 3.54Å; Y594-E600 HydrophobicContact CE1-CG 4.09Å; E600-T603 PolarHBondContact OE1-OG1 3.09Å
601	K	96.7	Very high	93	Very high	64 Å²	64	50.5 Å²	50.5	28%	0.278	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-29	-177.9	-65.3	-65.5	-176.2	171.4	0	112.8	T500 R501 W531 L593 N595 L599	T500-K601 CarbonylContact C-O 3.56Å; T500-K601 WeakPolarHBondContact CA-O 3.48Å; R501-K601 WeakPolarHBondContact CA-O 3.29Å; R501-K601 PolarHBondContact N-O 3.39Å; R501-K601 WeakPolarHBondContact O-CD 3.06Å; W531-K601 HydrophobicContact CH2-CB 4.16Å; W531-K601 HydrophobicContact CH2-CG 3.8Å; W531-K601 HydrophobicContact CZ3-CB 3.76Å; W531-K601 HydrophobicContact CZ3-CG 3.72Å; L593-K601 PolarHBondContact O-N 2.91Å; N595-K601 HydrophobicContact CB-CG 3.94Å; N595-K601 WeakPolarHBondContact ND2-CE 3.43Å; L599-K601 PolarHBondContact O-N 2.82Å
602	A	97.1	Very high	92.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.1	172.8	0	0	0	0	0	111.2	F499 T500 I506 S592 L593	F499-A602 CarbonylContact O-C 3.15Å; F499-A602 VanDerWaalsContact O-CA 3.28Å; F499-A602 WeakPolarHBondContact O-CA 3.48Å; T500-A602 HydrophobicContact CG2-CB 4.09Å; I506-A602 HydrophobicContact CD1-CB 4.23Å; I506-A602 HydrophobicContact CG1-CB 4.11Å; S592-A602 CarbonylContact C-O 3.51Å; S592-A602 VanDerWaalsContact CA-O 3.29Å; S592-A602 WeakPolarHBondContact CA-O 3.06Å; L593-A602 HydrophobicContact CB-CB 4.11Å; L593-A602 HydrophobicContact CD2-CB 4.47Å; L593-A602 PolarHBondContact N-O 2.85Å; L593-A602 PolarHBondContact O-N 3.21Å
603	T	97.8	Very high	92.4	Very high	18 Å²	18	56.2 Å²	56.2	11%	0.11	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.5	179.4	-40.2	0	0	0	0	108.6	T498 F499 Q590 T591 E600 I605	T498-T603 CarbonylContact C-O 3.53Å; T498-T603 WeakPolarHBondContact CA-O 3.37Å; F499-T603 PolarHBondContact N-O 2.85Å; F499-T603 PolarHBondContact O-N 3.42Å; Q590-T603 HydrophobicContact CG-CG2 3.92Å; T591-T603 CarbonylContact O-C 3.6Å; T591-T603 VanDerWaalsContact O-CA 3.28Å; T591-T603 WeakPolarHBondContact O-CA 3.34Å; E600-T603 PolarHBondContact OE1-OG1 3.09Å; T603-I605 HydrophobicContact CG2-CG1 4.27Å
604	H	96.8	Very high	92	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.028	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.5	175.1	-176.1	75.8	0	0	0	109.2	E497 T498 I506 T591 Q606	E497-H604 CarbonylContact O-C 3.49Å; E497-H604 WeakPolarHBondContact O-CA 3.39Å; T498-H604 HydrophobicContact CG2-CB 4.42Å; T498-H604 PolarHBondContact OG1-ND1 3.4Å; I506-H604 HydrophobicContact CB-CB 3.96Å; I506-H604 HydrophobicContact CD1-CB 4.21Å; I506-H604 HydrophobicContact CG2-CB 3.67Å; T591-H604 PolarHBondContact N-O 2.75Å; T591-H604 PolarHBondContact O-N 3.39Å; H604-Q606 WeakPolarHBondContact NE2-CG 3.44Å
605	I	95.9	Very high	91.6	Very high	17 Å²	17	60 Å²	60	9%	0.087	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.4	-177.7	-57.8	173.2	0	0	0	108.3	S496 E497 Y588 I589 Q590 T603 K607	S496-I605 CarbonylContact C-O 3.44Å; S496-I605 WeakPolarHBondContact CA-O 3.35Å; E497-I605 HydrophobicContact CB-CB 4.35Å; E497-I605 PolarHBondContact N-O 3.36Å; E497-I605 PolarHBondContact O-N 3.43Å; Y588-I605 HydrophobicContact CE2-CG2 3.88Å; I589-I605 CarbonylContact O-C 3.5Å; I589-I605 VanDerWaalsContact O-CA 3.29Å; I589-I605 WeakPolarHBondContact O-CA 3.34Å; Q590-I605 HydrophobicContact CB-CG1 4.38Å; Q590-I605 HydrophobicContact CG-CG1 4.14Å; T603-I605 HydrophobicContact CG2-CG1 4.27Å; I605-K607 HydrophobicContact CG2-CG 4.35Å
606	Q	93.5	Very high	91.4	Very high	13 Å²	13	63.3 Å²	63.3	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122	175.4	-56.1	-177.2	-75.9	0	0	108.8	C509 I589 H604	C509-Q606 VanDerWaalsContact CB-OE1 3.23Å; C509-Q606 PolarHBondContact O-NE2 3.32Å; I589-Q606 HydrophobicContact CB-CB 4.36Å; I589-Q606 PolarHBondContact N-O 2.88Å; I589-Q606 PolarHBondContact O-N 2.95Å; H604-Q606 WeakPolarHBondContact NE2-CG 3.44Å
607	K	89.8	Confident	91.1	Very high	75 Å²	75	62.3 Å²	62.3	33%	0.326	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.2	172.6	-66.1	170.4	-176.1	158.4	0	108	H495 E497 S587 Y588 I605	H495-K607 PolarHBondContact N-O 3.47Å; H495-K607 PolarHBondContact O-N 2.94Å; E497-K607 IonicContact OE1-NZ 3.87Å; E497-K607 PolarHBondContact OE1-NZ 3.35Å; S587-K607 WeakPolarHBondContact O-CA 3.34Å; Y588-K607 HydrophobicContact CD2-CD 4.48Å; Y588-K607 HydrophobicContact CD2-CG 3.82Å; Y588-K607 HydrophobicContact CE2-CD 4.4Å; Y588-K607 HydrophobicContact CE2-CG 4.09Å; I605-K607 HydrophobicContact CG2-CG 4.35Å
608	L	78.2	Confident	90.8	Very high	52 Å²	52	56.6 Å²	56.6	27%	0.272	30%	0.295	S	S	.	.			trans	-95.3	109.5	173.2	-74.2	156	0	0	0	106.8	K511 G586 S587	K511-L608 HydrophobicContact CD-CD2 4.07Å; K511-L608 HydrophobicContact CG-CD2 4.44Å; G586-L608 WeakPolarHBondContact O-CD1 3.44Å; S587-L608 PolarHBondContact O-N 2.77Å
609	Q	60.3	Low	90.7	Very high	215 Å²	215	57 Å²	57	100%	1.005	27%	0.273	S	S	*	.			trans	-75.8	0	171.7	-81.3	-169.7	-39.8	0	0	111.3

Retrieved 609 of 609 residues in 351.9 ms (Link to these results)

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